#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4h n THR 4 N 0.00 0.57 0.59 9.51 -2.24 -1.26 -1.77 114.28 119.68 1f4h n THR 4 Ca 0.00 -0.52 0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1f4h n THR 4 Cb 0.00 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1f4h n THR 4 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1f4h n ASP 5 N 0.57 1.05 -4.73 3.42 8.00 -1.26 -4.69 116.55 118.90 1f4h n ASP 5 Ca 0.13 -1.03 -0.41 0.00 0.71 0.00 0.00 54.79 54.20 1f4h n ASP 5 Cb 0.35 0.71 0.01 0.00 -0.02 0.00 0.00 41.12 42.17 1f4h n ASP 5 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1f4h n SER 6 N -0.69 2.99 0.24 -2.24 3.41 -0.73 -4.75 113.62 111.86 1f4h n SER 6 Ca 0.04 1.12 -0.17 0.00 -0.26 0.00 0.00 58.87 59.61 1f4h n SER 6 Cb 0.24 -1.56 -0.09 0.00 -0.26 0.00 0.00 64.21 62.54 1f4h n SER 6 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1f4h h LEU 7 N 2.24 -1.34 -1.10 1.04 3.38 -1.94 0.48 115.31 118.06 1f4h h LEU 7 Ca -0.49 0.11 0.32 0.00 0.09 0.00 0.00 57.88 57.91 1f4h h LEU 7 Cb 1.28 0.45 -0.14 0.00 0.09 0.00 0.00 40.66 42.35 1f4h h LEU 7 CO 0.61 -0.60 0.62 0.00 0.09 0.00 0.00 178.44 179.15 1f4h h ALA 8 N -0.89 2.08 0.24 1.53 0.00 -1.94 1.00 119.26 121.27 1f4h h ALA 8 Ca -0.05 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1f4h h ALA 8 Cb 0.80 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1f4h h ALA 8 CO -0.10 -0.66 -0.12 0.28 0.00 0.00 0.00 179.25 178.65 1f4h h VAL 9 N 0.32 0.19 0.02 0.00 2.07 -1.54 -2.76 116.25 114.55 1f4h h VAL 9 Ca 0.72 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1f4h h VAL 9 Cb 1.73 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1f4h h VAL 9 CO -0.53 0.05 -0.11 0.58 0.02 0.00 0.00 177.57 177.58 1f4h h VAL 10 N -1.06 0.00 -0.90 2.57 2.07 0.58 -2.24 116.25 117.27 1f4h h VAL 10 Ca -0.03 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.70 1f4h h VAL 10 Cb 0.34 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.94 1f4h h VAL 10 CO 0.05 0.00 -0.09 -0.07 0.02 0.00 0.00 177.57 177.48 1f4h h LEU 11 N -0.15 -0.61 -0.05 2.57 3.38 0.84 -2.88 115.31 118.41 1f4h h LEU 11 Ca -0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1f4h h LEU 11 Cb 0.15 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1f4h h LEU 11 CO -0.06 -0.29 -0.03 1.67 0.09 0.00 0.00 178.44 179.81 1f4h n GLN 12 N -5.50 -0.02 -0.05 1.13 -0.06 -0.84 -0.48 117.38 111.56 1f4h n GLN 12 Ca 0.17 0.11 0.25 0.00 -2.00 0.00 0.00 57.00 55.52 1f4h n GLN 12 Cb 0.56 -0.16 0.70 0.00 -4.06 0.00 0.00 30.24 27.28 1f4h n GLN 12 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1f4h h ARG 13 N 0.00 0.00 -5.88 3.69 2.47 -1.63 -3.47 114.38 109.57 1f4h h ARG 13 Ca 0.01 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.37 1f4h h ARG 13 Cb 0.02 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 28.47 1f4h h ARG 13 CO -0.05 0.00 -0.87 0.54 0.56 0.00 0.00 179.97 180.15 1f4h n ARG 14 N -3.79 -2.91 0.27 0.04 1.74 0.37 -4.88 116.66 107.49 1f4h n ARG 14 Ca 0.14 0.67 0.14 0.00 -0.77 0.00 0.00 57.85 58.03 1f4h n ARG 14 Cb 0.88 -5.11 0.73 0.00 -1.02 0.00 0.00 32.46 27.94 1f4h n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1f4h h ASP 15 N -1.60 0.00 -0.03 0.55 3.32 -1.90 -2.37 116.42 114.38 1f4h h ASP 15 Ca -0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1f4h h ASP 15 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1f4h h ASP 15 CO 0.49 0.11 0.00 -2.67 -1.72 0.00 0.00 179.24 175.44 1f4h n TRP 16 N -3.46 0.04 -2.16 4.55 2.14 -1.26 -2.73 117.44 114.56 1f4h n TRP 16 Ca -0.01 -0.02 0.02 0.00 2.07 0.00 0.00 57.50 59.56 1f4h n TRP 16 Cb 0.26 0.00 0.09 0.00 -0.81 0.00 0.00 31.31 30.85 1f4h n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1f4h n GLU 17 N -0.43 1.07 -3.69 -2.67 1.02 -0.89 0.19 120.64 115.24 1f4h n GLU 17 Ca 0.02 -2.82 -0.13 0.00 -0.02 0.00 0.00 57.16 54.21 1f4h n GLU 17 Cb 0.03 -0.95 -0.13 0.00 -0.02 0.00 0.00 31.44 30.36 1f4h n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1f4h s ASN 18 N -2.78 0.12 0.00 1.62 2.47 -1.10 -4.74 114.94 110.53 1f4h s ASN 18 Ca 0.36 0.57 0.16 0.00 0.42 0.00 0.00 52.86 54.37 1f4h s ASN 18 Cb 0.38 0.59 0.84 0.00 -1.45 0.00 0.00 41.25 41.61 1f4h s ASN 18 CO -0.10 -0.21 1.56 -0.81 -3.72 0.00 0.00 177.10 173.81 1f4h n PRO 19 N 4.93 1.18 0.02 0.43 -0.04 -1.26 -2.87 135.00 137.38 1f4h n PRO 19 Ca -0.13 -0.27 0.11 0.00 -0.04 0.00 0.00 63.50 63.18 1f4h n PRO 19 Cb 0.51 -1.27 0.11 0.00 -0.04 0.00 0.00 33.50 32.81 1f4h n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f4h n GLY 20 N 0.82 -1.23 2.67 0.55 0.00 -1.26 -4.31 105.19 102.43 1f4h n GLY 20 Ca 0.12 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1f4h n GLY 20 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1f4h n VAL 21 N -1.76 1.05 0.11 1.61 0.31 -1.14 -4.82 118.33 113.69 1f4h n VAL 21 Ca 0.04 -4.59 -0.02 0.00 -0.01 0.00 0.00 64.34 59.76 1f4h n VAL 21 Cb 0.39 -2.05 0.03 0.00 -0.91 0.00 0.00 33.84 31.30 1f4h n VAL 21 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1f4h h THR 22 N 4.07 1.30 -3.25 2.52 1.35 -1.79 -3.46 112.91 113.65 1f4h h THR 22 Ca 0.18 -2.61 -0.03 0.00 -0.55 0.00 0.00 66.41 63.40 1f4h h THR 22 Cb 0.78 2.49 -0.12 0.00 -1.73 0.00 0.00 68.15 69.57 1f4h h THR 22 CO 0.65 0.69 0.04 0.00 -0.25 0.00 0.00 175.52 176.65 1f4h s GLN 23 N -3.04 1.22 -0.05 4.72 1.03 -1.26 -1.06 119.66 121.22 1f4h s GLN 23 Ca 0.01 -0.68 -0.02 0.00 0.04 0.00 0.00 55.36 54.71 1f4h s GLN 23 Cb 0.10 0.52 0.03 0.00 0.03 0.00 0.00 33.01 33.69 1f4h s GLN 23 CO 0.77 -0.51 0.07 -0.51 -2.54 0.00 0.00 175.29 172.57 1f4h s LEU 24 N -2.81 0.14 -1.02 2.60 1.02 -0.90 -4.87 118.68 112.83 1f4h s LEU 24 Ca 0.04 0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.24 1f4h s LEU 24 Cb 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 46.19 46.10 1f4h s LEU 24 CO -0.10 -0.26 0.00 0.59 0.02 0.00 0.00 176.35 176.61 1f4h n ASN 25 N 5.30 -4.15 -4.87 2.29 3.02 -1.26 -2.68 115.26 112.91 1f4h n ASN 25 Ca -0.03 0.24 -0.35 0.00 -0.03 0.00 0.00 54.58 54.40 1f4h n ASN 25 Cb 0.50 -2.51 -0.05 0.00 -0.61 0.00 0.00 39.78 37.10 1f4h n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1f4h s ARG 26 N -2.83 3.71 1.04 3.52 3.52 -1.26 -4.67 118.95 121.98 1f4h s ARG 26 Ca 0.00 0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.54 1f4h s ARG 26 Cb 0.00 -3.05 0.24 0.00 -1.56 0.00 0.00 34.95 30.58 1f4h s ARG 26 CO 0.00 0.61 1.32 -0.51 -0.81 0.00 0.00 175.30 175.91 1f4h s LEU 27 N -1.74 2.40 0.61 -0.88 1.43 0.13 -4.97 118.68 115.65 1f4h s LEU 27 Ca 0.30 0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.44 1f4h s LEU 27 Cb -0.14 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1f4h s LEU 27 CO 0.16 -3.15 1.11 0.00 0.23 0.00 0.00 176.35 174.71 1f4h s ALA 28 N -3.81 2.59 0.19 4.21 0.00 -1.26 -4.72 121.76 118.96 1f4h s ALA 28 Ca 0.76 0.63 -0.23 0.00 0.00 0.00 0.00 51.96 53.11 1f4h s ALA 28 Cb -0.03 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 1f4h s ALA 28 CO 0.54 -1.02 0.76 0.00 0.00 0.00 0.00 175.76 176.05 1f4h s ALA 29 N -2.15 3.42 0.29 0.00 0.00 -1.26 -4.95 121.76 117.11 1f4h s ALA 29 Ca 0.69 0.30 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 1f4h s ALA 29 Cb -0.21 -2.92 0.05 0.00 0.00 0.00 0.00 23.12 20.04 1f4h s ALA 29 CO 0.35 0.30 0.83 -3.38 0.00 0.00 0.00 175.76 173.86 1f4h s HIS 30 N -1.31 -0.03 0.78 0.00 -3.43 -1.26 -4.82 115.29 105.23 1f4h s HIS 30 Ca 0.39 -0.48 -0.11 0.00 -0.80 0.00 0.00 55.06 54.06 1f4h s HIS 30 Cb -0.21 0.75 0.06 0.00 -1.43 0.00 0.00 32.58 31.75 1f4h s HIS 30 CO 0.24 -1.25 1.09 -2.14 -2.00 0.00 0.00 174.74 170.67 1f4h s PRO 31 N -2.97 2.18 0.25 -0.38 0.02 -1.18 -4.18 135.00 128.75 1f4h s PRO 31 Ca 0.14 1.03 -0.30 0.00 0.02 0.00 0.00 61.00 61.90 1f4h s PRO 31 Cb -0.04 -1.90 -0.14 0.00 0.02 0.00 0.00 34.50 32.43 1f4h s PRO 31 CO 0.08 -1.66 1.13 -2.30 -0.33 0.00 0.00 177.00 173.92 1f4h n PRO 32 N -3.52 1.42 -4.36 5.54 -0.02 -1.26 -5.01 135.00 127.80 1f4h n PRO 32 Ca 0.08 0.50 -0.21 0.00 -2.02 0.00 0.00 63.50 61.86 1f4h n PRO 32 Cb 0.54 -1.96 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 1f4h n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1f4h s PHE 33 N -0.64 1.84 0.00 6.00 2.99 -1.26 -4.88 117.98 122.03 1f4h s PHE 33 Ca 0.64 -0.50 0.00 0.00 0.00 0.00 0.00 56.93 57.08 1f4h s PHE 33 Cb -0.74 -0.87 0.00 0.00 0.00 0.00 0.00 43.02 41.42 1f4h s PHE 33 CO 0.56 0.41 0.00 0.00 -0.00 0.00 0.00 175.22 176.19 1f4h n ALA 34 N -0.18 0.19 -3.61 5.36 0.00 -1.26 -5.06 120.51 115.94 1f4h n ALA 34 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 1f4h n ALA 34 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.08 1f4h n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f4h n SER 35 N -0.11 -3.84 -4.77 0.00 2.88 -1.25 -4.40 113.62 102.13 1f4h n SER 35 Ca 0.00 -0.88 -0.38 0.00 -1.33 0.00 0.00 58.87 56.27 1f4h n SER 35 Cb 0.00 -3.98 -0.03 0.00 -0.75 0.00 0.00 64.21 59.45 1f4h n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1f4h s TRP 36 N -3.55 3.30 -0.35 0.66 0.51 -0.34 -4.58 118.94 114.59 1f4h s TRP 36 Ca 0.28 1.63 0.07 0.00 -2.12 0.00 0.00 56.10 55.96 1f4h s TRP 36 Cb -0.08 -3.27 0.55 0.00 -0.81 0.00 0.00 33.47 29.86 1f4h s TRP 36 CO 0.82 -0.84 1.59 0.54 -0.51 0.00 0.00 176.95 178.56 1f4h n ARG 37 N 0.37 2.02 -3.63 4.98 5.12 -1.26 -0.89 116.66 123.37 1f4h n ARG 37 Ca 0.03 -3.19 -0.04 0.00 -1.93 0.00 0.00 57.85 52.72 1f4h n ARG 37 Cb 0.47 -1.94 -0.06 0.00 -1.16 0.00 0.00 32.46 29.76 1f4h n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1f4h s ASN 38 N -2.24 -0.77 0.30 0.55 2.47 -1.26 -4.98 114.94 109.00 1f4h s ASN 38 Ca 0.49 1.21 0.05 0.00 0.42 0.00 0.00 52.86 55.03 1f4h s ASN 38 Cb 0.43 1.40 0.72 0.00 -1.45 0.00 0.00 41.25 42.35 1f4h s ASN 38 CO 0.02 -0.19 1.78 0.28 -3.72 0.00 0.00 177.10 175.28 1f4h h SER 39 N 6.73 0.79 0.13 -4.21 0.02 -1.97 -2.81 113.55 112.24 1f4h h SER 39 Ca -0.28 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1f4h h SER 39 Cb 1.20 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1f4h h SER 39 CO 0.17 0.29 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.75 1f4h h GLU 40 N 0.78 -0.17 -0.94 3.45 4.39 -1.99 -2.35 114.58 117.75 1f4h h GLU 40 Ca 0.57 0.01 0.23 0.00 0.34 0.00 0.00 59.36 60.51 1f4h h GLU 40 Cb 0.86 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.43 1f4h h GLU 40 CO -0.37 0.25 0.48 0.93 -1.16 0.00 0.00 179.01 179.13 1f4h h GLU 41 N -0.65 0.46 -0.33 2.33 5.08 -1.90 1.45 114.58 121.03 1f4h h GLU 41 Ca -0.02 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1f4h h GLU 41 Cb 0.49 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1f4h h GLU 41 CO 0.03 0.31 -0.19 0.00 -1.00 0.00 0.00 179.01 178.15 1f4h h ALA 42 N 1.71 1.04 -0.44 3.43 0.00 -1.47 0.13 119.26 123.67 1f4h h ALA 42 Ca 0.59 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1f4h h ALA 42 Cb 1.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1f4h h ALA 42 CO -0.50 0.58 -0.15 -0.09 0.00 0.00 0.00 179.25 179.08 1f4h h ARG 43 N 0.56 0.83 -0.64 0.00 2.43 0.24 -3.02 114.38 114.77 1f4h h ARG 43 Ca 0.09 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.91 1f4h h ARG 43 Cb 0.64 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1f4h h ARG 43 CO 0.05 0.93 0.06 0.25 -1.51 0.00 0.00 179.97 179.74 1f4h n THR 44 N -4.14 2.68 -3.23 0.20 -2.24 0.87 -4.91 114.28 103.52 1f4h n THR 44 Ca 0.01 -1.38 -0.18 0.00 -2.27 0.00 0.00 64.05 60.23 1f4h n THR 44 Cb 0.40 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1f4h n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1f4h n ASP 45 N 0.43 -2.26 -3.25 3.42 2.03 -0.48 -4.88 116.55 111.56 1f4h n ASP 45 Ca 0.29 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1f4h n ASP 45 Cb 1.20 -1.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1f4h n ASP 45 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1f4h n ARG 46 N -3.25 1.05 -5.07 -0.67 1.74 0.32 -5.01 116.66 105.77 1f4h n ARG 46 Ca 0.01 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 1f4h n ARG 46 Cb 0.51 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.79 1f4h n ARG 46 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1f4h s PRO 47 N 0.00 3.11 0.16 5.56 0.02 -1.26 -4.87 135.00 137.72 1f4h s PRO 47 Ca 0.00 -0.81 -0.31 0.00 0.02 0.00 0.00 61.00 59.89 1f4h s PRO 47 Cb 0.00 -2.40 -0.11 0.00 0.02 0.00 0.00 34.50 32.01 1f4h s PRO 47 CO 0.00 0.22 1.75 0.45 -0.33 0.00 0.00 177.00 179.09 1f4h s SER 48 N 0.27 6.44 0.00 2.53 0.15 -1.26 -4.83 113.70 117.00 1f4h s SER 48 Ca -0.14 2.76 0.20 0.00 0.70 0.00 0.00 55.95 59.47 1f4h s SER 48 Cb -0.17 -2.58 0.91 0.00 -1.71 0.00 0.00 66.02 62.48 1f4h s SER 48 CO 0.07 -0.96 1.62 0.00 1.20 0.00 0.00 173.24 175.17 1f4h n GLN 49 N 4.84 0.15 -0.04 5.44 1.13 -1.26 -2.24 117.38 125.39 1f4h n GLN 49 Ca 0.16 0.13 0.12 0.00 -1.94 0.00 0.00 57.00 55.47 1f4h n GLN 49 Cb 0.37 -1.50 0.47 0.00 0.11 0.00 0.00 30.24 29.69 1f4h n GLN 49 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1f4h n GLN 50 N -1.39 1.57 -4.00 -1.09 3.00 -1.26 -4.63 117.38 109.59 1f4h n GLN 50 Ca 0.07 -0.85 -0.31 0.00 -0.01 0.00 0.00 57.00 55.90 1f4h n GLN 50 Cb 0.19 -1.41 -0.15 0.00 0.00 0.00 0.00 30.24 28.87 1f4h n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1f4h s LEU 51 N -1.71 3.04 -0.06 1.08 2.96 -0.95 -0.93 118.68 122.11 1f4h s LEU 51 Ca 0.34 -1.32 0.01 0.00 -0.22 0.00 0.00 54.13 52.94 1f4h s LEU 51 Cb 0.18 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 1f4h s LEU 51 CO 0.28 -0.22 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.89 1f4h s ARG 52 N 1.25 2.72 0.02 1.98 0.52 -0.03 -4.86 118.95 120.55 1f4h s ARG 52 Ca -0.06 -0.57 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 1f4h s ARG 52 Cb -0.19 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1f4h s ARG 52 CO -0.06 0.66 0.15 0.45 0.02 0.00 0.00 175.30 176.52 1f4h s SER 53 N -0.89 6.08 -0.19 0.23 0.15 -1.26 0.14 113.70 117.96 1f4h s SER 53 Ca 0.13 0.23 0.15 0.00 0.70 0.00 0.00 55.95 57.17 1f4h s SER 53 Cb -0.11 -1.83 0.47 0.00 -1.71 0.00 0.00 66.02 62.84 1f4h s SER 53 CO 0.02 0.23 1.36 0.18 1.20 0.00 0.00 173.24 176.24 1f4h n LEU 54 N 0.81 3.55 -4.73 3.45 4.77 0.00 -4.93 117.00 119.92 1f4h n LEU 54 Ca -0.10 -3.22 -0.41 0.00 -0.03 0.00 0.00 56.01 52.24 1f4h n LEU 54 Cb 0.52 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1f4h n LEU 54 CO 0.44 0.83 0.78 0.20 -1.33 0.00 0.00 177.39 178.31 1f4h s ASN 55 N -2.32 7.28 0.00 -1.43 0.01 -1.26 -4.85 114.94 112.37 1f4h s ASN 55 Ca 0.40 1.95 0.00 0.00 -0.71 0.00 0.00 52.86 54.51 1f4h s ASN 55 Cb 0.34 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.41 1f4h s ASN 55 CO 0.05 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 175.99 1f4h n GLY 56 N 2.50 -0.59 3.72 0.66 0.00 -0.80 -5.01 105.19 105.66 1f4h n GLY 56 Ca 0.05 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1f4h n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f4h s GLU 57 N -1.35 4.49 0.29 1.61 2.02 -1.26 -1.37 118.70 123.12 1f4h s GLU 57 Ca 0.00 1.08 0.09 0.00 0.02 0.00 0.00 54.97 56.17 1f4h s GLU 57 Cb 0.00 -3.45 -0.06 0.00 0.10 0.00 0.00 34.13 30.73 1f4h s GLU 57 CO 0.00 0.04 -0.12 -1.58 0.02 0.00 0.00 175.26 173.62 1f4h s TRP 58 N 0.82 2.17 -0.15 1.61 0.52 0.03 -4.95 118.94 118.99 1f4h s TRP 58 Ca 0.43 -0.52 -0.15 0.00 0.02 0.00 0.00 56.10 55.88 1f4h s TRP 58 Cb -0.19 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1f4h s TRP 58 CO 0.22 0.51 0.35 1.03 0.02 0.00 0.00 176.95 179.09 1f4h s ARG 59 N -3.62 4.28 -0.02 4.98 0.52 -0.61 -1.70 118.95 122.78 1f4h s ARG 59 Ca 0.30 0.21 0.05 0.00 -0.52 0.00 0.00 55.73 55.76 1f4h s ARG 59 Cb 0.00 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 1f4h s ARG 59 CO 0.14 0.20 -0.16 0.12 0.02 0.00 0.00 175.30 175.62 1f4h s PHE 60 N 0.54 1.52 -0.13 -0.53 5.36 0.36 -1.51 117.98 123.60 1f4h s PHE 60 Ca 0.19 -0.34 -0.08 0.00 -0.96 0.00 0.00 56.93 55.74 1f4h s PHE 60 Cb -0.14 -1.00 0.04 0.00 -0.34 0.00 0.00 43.02 41.59 1f4h s PHE 60 CO 0.06 -0.07 0.32 0.00 -1.46 0.00 0.00 175.22 174.07 1f4h s ALA 61 N -0.22 -0.79 -0.00 11.12 0.00 -0.33 -0.13 121.76 131.40 1f4h s ALA 61 Ca 0.03 1.13 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 1f4h s ALA 61 Cb -0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1f4h s ALA 61 CO 0.00 -0.20 0.24 -0.46 0.00 0.00 0.00 175.76 175.34 1f4h s TRP 62 N 0.92 3.57 -0.06 0.00 -0.00 -1.26 0.24 118.94 122.34 1f4h s TRP 62 Ca -0.06 0.53 -0.03 0.00 -0.00 0.00 0.00 56.10 56.54 1f4h s TRP 62 Cb -0.07 -1.95 0.04 0.00 -0.00 0.00 0.00 33.47 31.49 1f4h s TRP 62 CO -0.07 0.63 0.14 -0.06 -0.00 0.00 0.00 176.95 177.59 1f4h s PHE 63 N -1.29 -0.15 -0.72 5.86 0.40 0.15 -4.95 117.98 117.28 1f4h s PHE 63 Ca 0.27 0.47 0.11 0.00 -0.60 0.00 0.00 56.93 57.18 1f4h s PHE 63 Cb -0.13 -0.12 0.55 0.00 0.51 0.00 0.00 43.02 43.83 1f4h s PHE 63 CO 0.16 -0.18 1.35 -0.35 0.70 0.00 0.00 175.22 176.90 1f4h n PRO 64 N 4.37 0.06 -3.61 0.24 -0.04 -1.26 0.17 135.00 134.92 1f4h n PRO 64 Ca -0.24 0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1f4h n PRO 64 Cb 0.51 -1.67 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 1f4h n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f4h s ALA 65 N -3.19 -1.84 0.15 0.55 0.00 -1.24 -2.05 121.76 114.15 1f4h s ALA 65 Ca 0.01 1.86 -0.24 0.00 0.00 0.00 0.00 51.96 53.58 1f4h s ALA 65 Cb 0.05 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.14 1f4h s ALA 65 CO 0.15 -0.32 1.60 -1.35 0.00 0.00 0.00 175.76 175.85 1f4h h PRO 66 N 4.34 -0.31 -0.17 0.00 0.11 -1.82 -1.98 132.00 132.16 1f4h h PRO 66 Ca -0.28 0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.90 1f4h h PRO 66 Cb 1.16 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1f4h h PRO 66 CO 0.13 -0.21 0.43 1.05 -0.21 0.00 0.00 178.00 179.20 1f4h h GLU 67 N -0.32 0.00 -0.31 1.05 4.11 -1.93 -0.78 114.58 116.40 1f4h h GLU 67 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1f4h h GLU 67 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1f4h h GLU 67 CO -0.45 0.00 0.00 0.00 0.07 0.00 0.00 179.01 178.63 1f4h n ALA 68 N -2.04 2.53 -2.52 1.06 0.00 -0.75 -4.84 120.51 113.96 1f4h n ALA 68 Ca 0.02 -0.39 -0.37 0.00 0.00 0.00 0.00 53.44 52.70 1f4h n ALA 68 Cb 0.53 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 1f4h n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f4h s VAL 69 N -1.69 5.04 -0.11 0.00 1.01 -0.30 -4.98 120.40 119.37 1f4h s VAL 69 Ca 0.14 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.70 1f4h s VAL 69 Cb 0.08 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1f4h s VAL 69 CO 0.09 0.45 0.25 -2.16 0.00 0.00 0.00 175.10 173.72 1f4h s PRO 70 N -1.46 3.89 0.66 2.72 0.04 -1.26 -4.99 135.00 134.61 1f4h s PRO 70 Ca 0.28 0.05 0.24 0.00 0.04 0.00 0.00 61.00 61.62 1f4h s PRO 70 Cb -0.16 -3.30 1.31 0.00 0.04 0.00 0.00 34.50 32.40 1f4h s PRO 70 CO 0.15 0.53 1.74 0.93 0.04 0.00 0.00 177.00 180.40 1f4h h GLU 71 N 5.64 0.00 -0.72 4.56 3.07 -1.99 0.34 114.58 125.49 1f4h h GLU 71 Ca -0.48 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.33 1f4h h GLU 71 Cb 1.20 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 1f4h h GLU 71 CO 0.66 0.00 0.25 1.03 -1.40 0.00 0.00 179.01 179.55 1f4h h SER 72 N 0.00 1.02 -1.38 1.42 0.87 -1.94 -2.41 113.55 111.13 1f4h h SER 72 Ca 0.02 -0.19 0.43 0.00 -1.23 0.00 0.00 61.79 60.81 1f4h h SER 72 Cb 0.97 -0.27 -0.11 0.00 -0.44 0.00 0.00 62.40 62.55 1f4h h SER 72 CO -0.00 0.94 0.92 -0.25 -0.53 0.00 0.00 176.83 177.91 1f4h h TRP 73 N 1.04 0.40 0.00 2.24 7.01 -0.40 0.76 115.95 127.01 1f4h h TRP 73 Ca 0.23 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.16 1f4h h TRP 73 Cb 0.27 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1f4h h TRP 73 CO 0.02 -0.13 -0.42 -0.07 -2.79 0.00 0.00 178.44 175.06 1f4h h LEU 74 N 0.10 0.00 -0.28 0.65 3.38 -1.57 -3.27 115.31 114.32 1f4h h LEU 74 Ca 0.79 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.76 1f4h h LEU 74 Cb 2.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.36 1f4h h LEU 74 CO -0.30 0.42 -0.16 1.21 0.09 0.00 0.00 178.44 179.70 1f4h n GLU 75 N -3.72 4.18 -3.55 1.13 4.07 0.22 -4.01 120.64 118.97 1f4h n GLU 75 Ca -0.01 -0.19 -0.16 0.00 -0.06 0.00 0.00 57.16 56.75 1f4h n GLU 75 Cb 0.50 -0.80 -0.06 0.00 -0.06 0.00 0.00 31.44 31.02 1f4h n GLU 75 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1f4h n ASP 77 N 1.08 -2.94 -4.23 0.00 8.00 -1.26 -3.68 116.55 113.52 1f4h n ASP 77 Ca -0.17 -0.40 -0.28 0.00 0.71 0.00 0.00 54.79 54.65 1f4h n ASP 77 Cb 0.57 -0.94 -0.16 0.00 -0.02 0.00 0.00 41.12 40.58 1f4h n ASP 77 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f4h s LEU 78 N -3.03 2.03 0.00 0.64 1.43 -1.26 -4.81 118.68 113.68 1f4h s LEU 78 Ca 0.53 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1f4h s LEU 78 Cb -0.12 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1f4h s LEU 78 CO 0.53 0.25 0.18 -2.65 0.23 0.00 0.00 176.35 174.88 1f4h n PRO 79 N 2.67 0.00 -0.34 1.29 -0.01 -1.26 -2.06 135.00 135.29 1f4h n PRO 79 Ca -0.16 0.18 0.09 0.00 -0.01 0.00 0.00 63.50 63.60 1f4h n PRO 79 Cb 0.52 -0.43 0.20 0.00 -0.01 0.00 0.00 33.50 33.78 1f4h n PRO 79 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1f4h h GLU 80 N 0.00 0.01 -2.42 -0.52 3.07 -2.00 -3.45 114.58 109.27 1f4h h GLU 80 Ca 0.00 -0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 1f4h h GLU 80 Cb 0.00 -0.00 0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1f4h h GLU 80 CO 0.00 0.01 -0.08 0.00 -1.40 0.00 0.00 179.01 177.54 1f4h n ALA 81 N -3.36 -1.77 -2.02 3.43 0.00 -0.87 -5.00 120.51 110.93 1f4h n ALA 81 Ca 0.18 0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.65 1f4h n ALA 81 Cb 0.60 -0.68 0.03 0.00 0.00 0.00 0.00 19.45 19.40 1f4h n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1f4h s ASP 82 N -0.18 5.37 -0.76 0.00 1.01 0.81 -4.87 116.67 118.06 1f4h s ASP 82 Ca 0.32 -0.56 0.01 0.00 0.71 0.00 0.00 52.55 53.03 1f4h s ASP 82 Cb -0.45 -0.28 0.19 0.00 1.01 0.00 0.00 42.92 43.38 1f4h s ASP 82 CO 0.23 -1.05 0.59 -0.89 0.21 0.00 0.00 175.17 174.26 1f4h s THR 83 N -2.53 3.62 0.70 -1.27 2.01 -1.26 0.13 115.64 117.05 1f4h s THR 83 Ca 0.58 -3.85 -0.11 0.00 0.31 0.00 0.00 61.69 58.62 1f4h s THR 83 Cb -0.08 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.12 1f4h s THR 83 CO 0.36 -1.01 1.08 0.54 -0.69 0.00 0.00 174.62 174.91 1f4h s VAL 84 N -1.13 3.67 0.10 3.82 0.11 -0.69 -4.83 120.40 121.45 1f4h s VAL 84 Ca 0.24 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 1f4h s VAL 84 Cb -0.10 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1f4h s VAL 84 CO -0.12 -0.71 0.25 0.54 -3.33 0.00 0.00 175.10 171.73 1f4h s VAL 85 N -3.30 5.35 -0.02 2.04 0.11 -1.26 -0.79 120.40 122.53 1f4h s VAL 85 Ca 0.58 -0.43 0.01 0.00 -2.93 0.00 0.00 61.98 59.20 1f4h s VAL 85 Cb -0.11 -3.66 0.02 0.00 -1.53 0.00 0.00 36.38 31.09 1f4h s VAL 85 CO 0.52 0.06 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.66 1f4h s VAL 86 N -1.60 0.18 0.54 2.04 1.01 -0.47 -4.13 120.40 117.96 1f4h s VAL 86 Ca 0.36 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 1f4h s VAL 86 Cb -0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 36.38 35.96 1f4h s VAL 86 CO 0.28 0.11 1.00 -2.16 0.00 0.00 0.00 175.10 174.33 1f4h s PRO 87 N 0.65 3.80 0.03 2.72 0.04 -1.26 -1.90 135.00 139.07 1f4h s PRO 87 Ca -0.06 0.99 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 1f4h s PRO 87 Cb -0.09 -2.11 0.09 0.00 0.04 0.00 0.00 34.50 32.42 1f4h s PRO 87 CO -0.01 -0.40 1.23 -1.13 0.04 0.00 0.00 177.00 176.73 1f4h n SER 88 N -1.75 -1.33 -4.26 6.66 3.41 0.16 -4.92 113.62 111.59 1f4h n SER 88 Ca 0.07 -1.41 -0.35 0.00 -0.26 0.00 0.00 58.87 56.92 1f4h n SER 88 Cb 0.54 2.10 -0.14 0.00 -0.26 0.00 0.00 64.21 66.44 1f4h n SER 88 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1f4h s ASN 89 N -3.76 4.23 0.63 4.04 -0.87 -1.26 -3.55 114.94 114.39 1f4h s ASN 89 Ca 0.29 -0.57 0.34 0.00 -1.57 0.00 0.00 52.86 51.34 1f4h s ASN 89 Cb -0.01 -1.70 1.89 0.00 -0.02 0.00 0.00 41.25 41.41 1f4h s ASN 89 CO 0.01 -0.06 2.15 4.11 -2.57 0.00 0.00 177.10 180.74 1f4h h TRP 90 N 8.08 0.00 -0.43 2.20 0.09 -1.89 0.80 115.95 124.81 1f4h h TRP 90 Ca -0.39 0.00 -0.03 0.00 0.09 0.00 0.00 58.89 58.56 1f4h h TRP 90 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 30.36 1f4h h TRP 90 CO 0.57 0.00 0.12 1.96 0.09 0.00 0.00 178.44 181.19 1f4h h GLN 91 N 0.00 0.63 -0.15 0.12 7.50 -1.81 -0.76 115.11 120.63 1f4h h GLN 91 Ca 0.04 -0.10 -0.07 0.00 0.50 0.00 0.00 58.65 59.02 1f4h h GLN 91 Cb 0.35 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 1f4h h GLN 91 CO -0.00 0.56 -0.20 0.52 -1.50 0.00 0.00 178.83 178.20 1f4h h MET 92 N 0.62 0.26 -0.00 1.46 2.86 0.35 -1.92 114.93 118.55 1f4h h MET 92 Ca 0.14 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1f4h h MET 92 Cb 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1f4h h MET 92 CO -0.01 0.46 -0.07 0.72 1.06 0.00 0.00 176.91 179.07 1f4h n HIS 93 N -4.20 0.00 -0.38 -0.22 8.25 -1.06 -4.92 115.22 112.68 1f4h n HIS 93 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1f4h n HIS 93 Cb 0.33 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1f4h n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f4h n GLY 94 N 1.23 0.70 0.31 -1.41 0.00 -0.72 -5.00 105.19 100.30 1f4h n GLY 94 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1f4h n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1f4h h TYR 95 N 0.00 0.86 -3.88 1.61 -1.99 -1.34 -3.46 116.97 108.78 1f4h h TYR 95 Ca 0.00 0.03 -0.24 0.00 2.00 0.00 0.00 58.73 60.53 1f4h h TYR 95 Cb 0.00 -0.26 -0.06 0.00 2.00 0.00 0.00 36.73 38.42 1f4h h TYR 95 CO 0.00 0.31 -0.07 0.16 -0.00 0.00 0.00 178.16 178.56 1f4h s ASP 96 N -5.56 0.82 0.25 3.88 1.47 -1.26 -5.03 116.67 111.25 1f4h s ASP 96 Ca -0.12 -1.47 -0.20 0.00 1.18 0.00 0.00 52.55 51.94 1f4h s ASP 96 Cb 0.20 0.73 -0.09 0.00 -0.34 0.00 0.00 42.92 43.43 1f4h s ASP 96 CO 0.78 -1.43 0.75 0.00 0.68 0.00 0.00 175.17 175.96 1f4h s ALA 97 N -2.72 3.37 -0.04 2.11 0.00 -1.26 -4.35 121.76 118.87 1f4h s ALA 97 Ca 0.27 0.20 -0.20 0.00 0.00 0.00 0.00 51.96 52.23 1f4h s ALA 97 Cb -0.02 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 1f4h s ALA 97 CO 0.20 0.31 0.58 -1.25 0.00 0.00 0.00 175.76 175.59 1f4h s PRO 98 N -2.12 4.32 -0.11 0.00 0.04 -1.26 -4.94 135.00 130.92 1f4h s PRO 98 Ca 0.45 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 1f4h s PRO 98 Cb -0.16 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 1f4h s PRO 98 CO 0.21 0.30 0.24 0.42 0.04 0.00 0.00 177.00 178.21 1f4h s ILE 99 N 0.08 5.33 -0.59 0.56 1.09 -0.64 -4.78 121.20 122.25 1f4h s ILE 99 Ca 0.30 0.45 -0.05 0.00 -1.10 0.00 0.00 60.65 60.25 1f4h s ILE 99 Cb -0.17 -3.54 0.15 0.00 -1.06 0.00 0.00 42.46 37.83 1f4h s ILE 99 CO 0.16 0.53 0.43 -0.47 -0.10 0.00 0.00 174.94 175.48 1f4h s TYR 100 N -0.48 3.49 0.25 3.97 5.04 -1.26 0.24 117.35 128.60 1f4h s TYR 100 Ca 0.17 -2.42 0.09 0.00 -2.44 0.00 0.00 57.07 52.47 1f4h s TYR 100 Cb -0.13 -3.34 -0.05 0.00 0.35 0.00 0.00 41.96 38.78 1f4h s TYR 100 CO 0.05 -0.91 -0.14 -0.08 -1.34 0.00 0.00 175.55 173.13 1f4h s THR 101 N 0.42 2.00 0.00 4.34 -1.32 -1.26 -1.36 115.64 118.47 1f4h s THR 101 Ca 0.14 -2.26 0.00 0.00 -1.21 0.00 0.00 61.69 58.35 1f4h s THR 101 Cb -0.20 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1f4h s THR 101 CO -0.04 -0.45 0.00 -3.20 -2.21 0.00 0.00 174.62 168.72 1f4h n ASN 102 N -0.53 0.00 0.00 8.08 4.05 -1.26 -3.39 115.26 122.22 1f4h n ASN 102 Ca -0.06 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.97 1f4h n ASN 102 Cb 0.61 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.62 1f4h n ASN 102 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1f4h n VAL 103 N -1.07 0.00 -1.15 3.44 0.31 -1.26 -3.60 118.33 115.00 1f4h n VAL 103 Ca 0.00 0.24 -0.45 0.00 -0.01 0.00 0.00 64.34 64.13 1f4h n VAL 103 Cb 0.00 -0.85 -0.06 0.00 -0.91 0.00 0.00 33.84 32.02 1f4h n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1f4h n THR 104 N -1.40 0.00 -2.20 2.52 -1.04 -1.26 -3.96 114.28 106.94 1f4h n THR 104 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1f4h n THR 104 Cb 0.00 -0.08 -0.01 0.00 -1.82 0.00 0.00 70.33 68.43 1f4h n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1f4h s TYR 105 N 0.47 2.84 0.46 -1.42 1.51 -1.26 -4.86 117.35 115.09 1f4h s TYR 105 Ca 0.69 1.51 0.13 0.00 -1.01 0.00 0.00 57.07 58.39 1f4h s TYR 105 Cb -0.97 -3.45 1.07 0.00 -0.11 0.00 0.00 41.96 38.50 1f4h s TYR 105 CO 0.46 -1.66 2.07 -1.00 -1.11 0.00 0.00 175.55 174.30 1f4h h PRO 106 N 2.14 0.29 -6.36 -1.71 0.13 -1.97 -3.43 132.00 121.08 1f4h h PRO 106 Ca -0.49 -0.02 -0.44 0.00 -0.87 0.00 0.00 66.00 64.18 1f4h h PRO 106 Cb 1.25 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1f4h h PRO 106 CO 0.60 0.19 -0.29 0.96 -0.23 0.00 0.00 178.00 179.24 1f4h s ILE 107 N -5.30 2.87 0.13 -3.56 -4.36 -1.26 -4.83 121.20 104.89 1f4h s ILE 107 Ca -0.07 -1.10 -0.30 0.00 -0.26 0.00 0.00 60.65 58.92 1f4h s ILE 107 Cb 0.18 -2.98 -0.07 0.00 1.25 0.00 0.00 42.46 40.85 1f4h s ILE 107 CO 0.71 0.00 1.10 -0.89 0.24 0.00 0.00 174.94 176.11 1f4h s THR 108 N -2.40 4.03 -1.17 8.37 2.01 -1.26 -4.95 115.64 120.28 1f4h s THR 108 Ca 0.53 1.65 -0.21 0.00 0.31 0.00 0.00 61.69 63.97 1f4h s THR 108 Cb -0.08 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.38 1f4h s THR 108 CO 0.32 0.23 1.77 -0.69 -0.69 0.00 0.00 174.62 175.56 1f4h s VAL 109 N 0.17 3.83 -0.41 3.82 1.01 -1.26 -4.85 120.40 122.72 1f4h s VAL 109 Ca 0.51 -1.22 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1f4h s VAL 109 Cb -0.28 -4.84 0.21 0.00 0.00 0.00 0.00 36.38 31.47 1f4h s VAL 109 CO 0.33 -1.57 0.47 -3.20 0.00 0.00 0.00 175.10 171.12 1f4h n ASN 110 N 10.96 -0.42 -4.76 3.32 2.85 -1.26 -5.09 115.26 120.87 1f4h n ASN 110 Ca 0.44 -2.59 -0.41 0.00 -0.11 0.00 0.00 54.58 51.91 1f4h n ASN 110 Cb 0.47 -0.39 -0.02 0.00 1.24 0.00 0.00 39.78 41.08 1f4h n ASN 110 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 1f4h s PRO 111 N -0.46 4.38 -0.26 1.20 0.02 -1.26 0.45 135.00 139.06 1f4h s PRO 111 Ca 0.34 2.16 0.09 0.00 0.02 0.00 0.00 61.00 63.60 1f4h s PRO 111 Cb 0.11 -3.11 0.66 0.00 0.02 0.00 0.00 34.50 32.17 1f4h s PRO 111 CO -0.15 -0.19 1.64 -0.35 -0.33 0.00 0.00 177.00 177.61 1f4h n PRO 112 N 1.38 3.56 -2.03 5.54 -0.04 -1.26 -5.08 135.00 137.07 1f4h n PRO 112 Ca 0.02 -2.64 -0.37 0.00 -0.04 0.00 0.00 63.50 60.46 1f4h n PRO 112 Cb 0.42 -2.10 0.02 0.00 -0.04 0.00 0.00 33.50 31.79 1f4h n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1f4h s PHE 113 N -2.60 2.58 0.06 0.54 0.40 1.58 -4.46 117.98 116.07 1f4h s PHE 113 Ca 0.47 1.47 0.04 0.00 -0.60 0.00 0.00 56.93 58.31 1f4h s PHE 113 Cb 0.37 -3.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.31 1f4h s PHE 113 CO 0.12 -2.16 -0.12 0.08 0.70 0.00 0.00 175.22 173.84 1f4h s VAL 114 N -1.45 0.93 0.72 -0.44 1.01 -1.26 -4.35 120.40 115.55 1f4h s VAL 114 Ca 0.68 -1.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 1f4h s VAL 114 Cb -0.34 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1f4h s VAL 114 CO 0.40 -0.24 0.41 -2.65 0.00 0.00 0.00 175.10 173.02 1f4h n PRO 115 N 1.45 0.25 -0.04 2.72 -0.02 -1.26 -4.95 135.00 133.15 1f4h n PRO 115 Ca -0.21 0.12 -0.15 0.00 -2.02 0.00 0.00 63.50 61.24 1f4h n PRO 115 Cb 0.54 -1.72 -0.08 0.00 -0.02 0.00 0.00 33.50 32.23 1f4h n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f4h h THR 116 N -0.38 1.38 -2.27 3.45 1.03 -2.00 -3.37 112.91 110.74 1f4h h THR 116 Ca -0.45 -1.67 -0.54 0.00 -0.01 0.00 0.00 66.41 63.75 1f4h h THR 116 Cb 1.35 2.14 -0.08 0.00 -1.07 0.00 0.00 68.15 70.50 1f4h h THR 116 CO 0.41 0.49 1.10 -1.61 -0.01 0.00 0.00 175.52 175.91 1f4h s GLU 117 N -3.83 3.14 -0.23 0.00 8.01 -1.26 -4.74 118.70 119.79 1f4h s GLU 117 Ca -0.14 -0.18 -0.02 0.00 0.01 0.00 0.00 54.97 54.64 1f4h s GLU 117 Cb 0.05 -4.24 0.07 0.00 -4.31 0.00 0.00 34.13 25.70 1f4h s GLU 117 CO 0.79 -2.22 0.04 1.21 0.01 0.00 0.00 175.26 175.10 1f4h s ASN 118 N 4.25 3.27 -0.89 -0.19 2.47 -0.87 -4.97 114.94 118.01 1f4h s ASN 118 Ca 0.39 -1.05 -0.18 0.00 0.42 0.00 0.00 52.86 52.43 1f4h s ASN 118 Cb -0.08 -0.70 -0.24 0.00 -1.45 0.00 0.00 41.25 38.78 1f4h s ASN 118 CO 0.15 -0.33 2.32 -2.65 -3.72 0.00 0.00 177.10 172.87 1f4h n PRO 119 N 4.98 0.27 -2.89 0.43 -0.02 -1.26 -3.43 135.00 133.08 1f4h n PRO 119 Ca -0.08 -0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 60.70 1f4h n PRO 119 Cb 0.45 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 1f4h n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1f4h s THR 120 N 7.03 4.87 -0.14 3.45 2.01 0.45 -2.36 115.64 130.97 1f4h s THR 120 Ca 1.16 1.75 0.03 0.00 0.31 0.00 0.00 61.69 64.94 1f4h s THR 120 Cb -0.59 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 67.75 1f4h s THR 120 CO 0.37 0.25 -0.22 -0.83 -0.69 0.00 0.00 174.62 173.50 1f4h s GLY 121 N 0.62 1.37 -0.42 4.40 0.00 0.57 -0.67 107.32 113.18 1f4h s GLY 121 Ca 0.44 -1.07 -0.10 0.00 0.00 0.00 0.00 44.72 43.98 1f4h s GLY 121 CO 0.24 -0.07 0.27 0.00 0.00 0.00 0.00 173.10 173.54 1f4h s TYR 123 N 1.47 3.45 -0.07 0.00 1.51 0.07 -1.19 117.35 122.59 1f4h s TYR 123 Ca 0.03 -0.01 -0.30 0.00 -1.01 0.00 0.00 57.07 55.78 1f4h s TYR 123 Cb -0.23 -1.57 0.10 0.00 -0.11 0.00 0.00 41.96 40.15 1f4h s TYR 123 CO 0.03 0.44 0.85 -1.54 -1.11 0.00 0.00 175.55 174.22 1f4h s SER 124 N -3.97 -0.47 -0.10 2.29 1.04 -0.57 -1.37 113.70 110.55 1f4h s SER 124 Ca 0.34 0.40 -0.27 0.00 0.48 0.00 0.00 55.95 56.90 1f4h s SER 124 Cb -0.09 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.50 1f4h s SER 124 CO 0.29 -0.52 0.63 -0.22 0.98 0.00 0.00 173.24 174.40 1f4h s LEU 125 N -1.50 -0.44 -0.27 2.42 0.20 -0.13 -1.58 118.68 117.39 1f4h s LEU 125 Ca -0.03 0.83 -0.07 0.00 0.69 0.00 0.00 54.13 55.54 1f4h s LEU 125 Cb -0.00 2.31 -0.02 0.00 -0.43 0.00 0.00 46.19 48.05 1f4h s LEU 125 CO 0.01 -0.48 0.07 -0.89 -0.29 0.00 0.00 176.35 174.78 1f4h s THR 126 N -0.75 4.20 0.16 3.68 2.01 -1.26 -1.45 115.64 122.22 1f4h s THR 126 Ca -0.08 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 1f4h s THR 126 Cb -0.02 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1f4h s THR 126 CO 0.07 0.25 0.18 0.72 -0.69 0.00 0.00 174.62 175.15 1f4h s PHE 127 N 1.58 0.70 0.15 4.92 -0.12 0.18 -4.93 117.98 120.45 1f4h s PHE 127 Ca 0.05 -1.05 0.03 0.00 -0.05 0.00 0.00 56.93 55.91 1f4h s PHE 127 Cb -0.16 -0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 1f4h s PHE 127 CO 0.03 -0.64 0.28 -0.80 -0.05 0.00 0.00 175.22 174.04 1f4h s ASN 128 N -3.03 6.34 -0.14 1.98 -0.87 -1.23 0.17 114.94 118.14 1f4h s ASN 128 Ca 0.24 0.17 -0.04 0.00 -1.57 0.00 0.00 52.86 51.66 1f4h s ASN 128 Cb 0.05 -1.91 0.07 0.00 -0.02 0.00 0.00 41.25 39.44 1f4h s ASN 128 CO 0.03 0.05 0.19 -0.69 -2.57 0.00 0.00 177.10 174.11 1f4h s VAL 129 N -1.74 -0.28 0.60 1.60 1.01 0.11 -4.92 120.40 116.78 1f4h s VAL 129 Ca 0.34 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 1f4h s VAL 129 Cb -0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1f4h s VAL 129 CO 0.28 -0.04 1.12 -0.62 0.00 0.00 0.00 175.10 175.85 1f4h s ASP 130 N 2.30 5.39 0.18 3.32 2.15 -1.26 -1.04 116.67 127.72 1f4h s ASP 130 Ca 0.04 2.09 -0.23 0.00 0.43 0.00 0.00 52.55 54.88 1f4h s ASP 130 Cb -0.14 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 40.01 1f4h s ASP 130 CO -0.09 -1.44 1.57 1.05 -0.17 0.00 0.00 175.17 176.09 1f4h h GLU 131 N 0.58 -0.16 -1.65 4.34 4.11 -1.95 -2.78 114.58 117.07 1f4h h GLU 131 Ca -0.48 0.01 0.50 0.00 0.07 0.00 0.00 59.36 59.46 1f4h h GLU 131 Cb 1.25 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.44 1f4h h GLU 131 CO 0.55 -0.11 1.15 0.66 0.07 0.00 0.00 179.01 181.33 1f4h h SER 132 N -0.17 0.09 0.92 3.06 4.64 -1.97 2.05 113.55 122.17 1f4h h SER 132 Ca 0.22 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1f4h h SER 132 Cb 0.56 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1f4h h SER 132 CO -0.73 -0.08 0.00 -0.50 -0.87 0.00 0.00 176.83 174.65 1f4h h TRP 133 N 0.02 0.00 0.00 4.77 4.06 -1.75 -2.99 115.95 120.07 1f4h h TRP 133 Ca 0.86 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.81 1f4h h TRP 133 Cb 3.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 31.35 1f4h h TRP 133 CO -0.00 0.00 -1.40 1.47 -3.56 0.00 0.00 178.44 174.95 1f4h n LEU 134 N -2.41 0.36 -0.11 -4.49 -0.00 0.69 -4.36 117.00 106.68 1f4h n LEU 134 Ca 0.02 -0.21 -0.13 0.00 -0.00 0.00 0.00 56.01 55.69 1f4h n LEU 134 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.67 1f4h n LEU 134 CO 0.23 0.09 0.56 -0.61 -0.00 0.00 0.00 177.39 177.65 1f4h h GLN 135 N 0.00 0.84 0.00 1.47 5.75 -1.17 -3.47 115.11 118.52 1f4h h GLN 135 Ca 0.00 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1f4h h GLN 135 Cb 0.65 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1f4h h GLN 135 CO 0.00 1.08 0.00 -0.85 -2.65 0.00 0.00 178.83 176.41 1f4h n GLU 136 N -4.15 0.00 0.00 1.69 0.28 -1.24 -5.12 120.64 112.10 1f4h n GLU 136 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1f4h n GLU 136 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 1f4h n GLU 136 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1f4h n GLY 137 N 0.00 -0.86 2.93 -1.84 0.00 -1.26 -4.62 105.19 99.54 1f4h n GLY 137 Ca 0.00 -1.14 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 1f4h n GLY 137 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1f4h s GLN 138 N 0.00 0.37 -0.26 1.61 -2.07 0.26 -4.72 119.66 114.86 1f4h s GLN 138 Ca 0.00 -0.14 -0.00 0.00 -1.82 0.00 0.00 55.36 53.40 1f4h s GLN 138 Cb 0.00 -0.37 0.04 0.00 -1.09 0.00 0.00 33.01 31.59 1f4h s GLN 138 CO 0.00 0.07 -0.07 0.99 -1.32 0.00 0.00 175.29 174.96 1f4h s THR 139 N 0.01 2.65 0.24 3.63 2.01 -1.26 0.23 115.64 123.14 1f4h s THR 139 Ca 0.00 -1.27 0.10 0.00 0.31 0.00 0.00 61.69 60.84 1f4h s THR 139 Cb -0.03 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 1f4h s THR 139 CO -0.00 0.09 -0.18 0.00 -0.69 0.00 0.00 174.62 173.84 1f4h s ARG 140 N 1.25 1.51 -0.06 4.92 1.70 -0.24 -0.60 118.95 127.42 1f4h s ARG 140 Ca -0.03 -1.66 0.04 0.00 -0.47 0.00 0.00 55.73 53.61 1f4h s ARG 140 Cb -0.18 -1.48 -0.02 0.00 -0.57 0.00 0.00 34.95 32.70 1f4h s ARG 140 CO -0.04 0.27 -0.18 -1.50 -1.08 0.00 0.00 175.30 172.77 1f4h s ILE 141 N -2.63 2.75 -0.05 4.99 2.07 0.27 0.24 121.20 128.84 1f4h s ILE 141 Ca 0.26 -0.82 0.02 0.00 -1.41 0.00 0.00 60.65 58.69 1f4h s ILE 141 Cb -0.03 -2.07 0.02 0.00 0.13 0.00 0.00 42.46 40.51 1f4h s ILE 141 CO 0.11 0.58 -0.09 -0.63 -1.91 0.00 0.00 174.94 173.00 1f4h s ILE 142 N -0.46 0.88 -0.22 2.00 1.01 0.16 -1.63 121.20 122.93 1f4h s ILE 142 Ca 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1f4h s ILE 142 Cb -0.12 -0.83 0.05 0.00 0.01 0.00 0.00 42.46 41.58 1f4h s ILE 142 CO 0.02 0.30 -0.07 -0.36 0.00 0.00 0.00 174.94 174.83 1f4h s PHE 143 N 0.74 2.36 -0.26 3.97 0.40 -0.86 -0.76 117.98 123.57 1f4h s PHE 143 Ca -0.13 -1.67 0.28 0.00 -0.60 0.00 0.00 56.93 54.81 1f4h s PHE 143 Cb -0.15 -1.58 0.96 0.00 0.51 0.00 0.00 43.02 42.76 1f4h s PHE 143 CO 0.02 -0.76 1.81 -0.44 0.70 0.00 0.00 175.22 176.56 1f4h h ASP 144 N 7.97 0.00 -0.70 1.36 3.32 -1.79 0.25 116.42 126.83 1f4h h ASP 144 Ca -0.21 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.96 1f4h h ASP 144 Cb 1.08 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.43 1f4h h ASP 144 CO 0.43 0.00 -0.18 -0.83 -1.72 0.00 0.00 179.24 176.94 1f4h s GLY 145 N -3.99 -0.98 -0.10 2.75 0.00 -1.26 -3.59 107.32 100.15 1f4h s GLY 145 Ca 0.04 1.76 0.01 0.00 0.00 0.00 0.00 44.72 46.53 1f4h s GLY 145 CO 0.55 3.75 -0.10 0.14 0.00 0.00 0.00 173.10 177.44 1f4h s VAL 146 N 2.89 1.14 -0.10 1.40 1.01 -1.22 -1.04 120.40 124.48 1f4h s VAL 146 Ca 0.15 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1f4h s VAL 146 Cb -0.09 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1f4h s VAL 146 CO -0.22 0.38 -0.12 0.21 0.00 0.00 0.00 175.10 175.35 1f4h s ASN 147 N 1.35 2.24 0.03 3.32 2.47 -1.21 -3.55 114.94 119.59 1f4h s ASN 147 Ca -0.01 -0.37 0.21 0.00 0.42 0.00 0.00 52.86 53.11 1f4h s ASN 147 Cb -0.14 -0.97 -0.21 0.00 -1.45 0.00 0.00 41.25 38.48 1f4h s ASN 147 CO -0.05 -0.03 0.65 -0.24 -3.72 0.00 0.00 177.10 173.71 1f4h n SER 148 N 4.39 0.34 -3.83 -4.21 2.88 -0.47 -0.58 113.62 112.13 1f4h n SER 148 Ca -0.18 0.13 -0.08 0.00 -1.33 0.00 0.00 58.87 57.41 1f4h n SER 148 Cb 0.51 1.28 -0.03 0.00 -0.75 0.00 0.00 64.21 65.22 1f4h n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1f4h s ALA 149 N -3.33 -0.70 -0.18 -1.46 0.00 -1.10 -3.94 121.76 111.06 1f4h s ALA 149 Ca -0.05 -0.62 -0.28 0.00 0.00 0.00 0.00 51.96 51.00 1f4h s ALA 149 Cb 0.11 0.94 0.10 0.00 0.00 0.00 0.00 23.12 24.27 1f4h s ALA 149 CO 0.86 -0.95 0.85 -0.59 0.00 0.00 0.00 175.76 175.93 1f4h s PHE 150 N -3.82 -0.57 -0.03 0.00 -0.12 -0.64 -1.85 117.98 110.95 1f4h s PHE 150 Ca 0.17 1.16 -0.05 0.00 -0.05 0.00 0.00 56.93 58.16 1f4h s PHE 150 Cb -0.03 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 1f4h s PHE 150 CO 0.09 -0.41 0.20 -1.01 -0.05 0.00 0.00 175.22 174.04 1f4h s HIS 151 N -0.53 3.57 -0.02 3.49 3.76 -1.03 -1.13 115.29 123.39 1f4h s HIS 151 Ca -0.03 0.45 0.05 0.00 -0.15 0.00 0.00 55.06 55.39 1f4h s HIS 151 Cb -0.02 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 1f4h s HIS 151 CO 0.02 0.66 -0.18 -1.17 -0.85 0.00 0.00 174.74 173.22 1f4h s LEU 152 N -1.68 2.03 -0.05 0.89 2.96 0.40 -2.17 118.68 121.05 1f4h s LEU 152 Ca 0.24 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1f4h s LEU 152 Cb -0.13 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.67 1f4h s LEU 152 CO 0.15 0.22 0.11 0.26 -1.32 0.00 0.00 176.35 175.76 1f4h s TRP 153 N -0.39 -0.10 -0.04 5.38 0.51 -1.08 0.73 118.94 123.95 1f4h s TRP 153 Ca 0.06 0.36 0.04 0.00 -2.12 0.00 0.00 56.10 54.44 1f4h s TRP 153 Cb -0.07 -0.13 0.00 0.00 -0.81 0.00 0.00 33.47 32.46 1f4h s TRP 153 CO -0.01 -0.14 -0.14 0.00 -0.51 0.00 0.00 176.95 176.15 1f4h n ASN 155 N 3.27 -3.76 0.00 0.00 3.02 0.29 0.56 115.26 118.65 1f4h n ASN 155 Ca -0.19 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1f4h n ASN 155 Cb 0.53 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.65 1f4h n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f4h n GLY 156 N -1.45 0.48 3.46 7.41 0.00 -1.26 -5.02 105.19 108.81 1f4h n GLY 156 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1f4h n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f4h s ARG 157 N -0.35 1.95 -0.14 1.61 0.52 0.19 -4.96 118.95 117.77 1f4h s ARG 157 Ca 0.00 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.85 1f4h s ARG 157 Cb 0.00 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 1f4h s ARG 157 CO 0.00 0.52 1.06 -0.46 0.02 0.00 0.00 175.30 176.44 1f4h s TRP 158 N -0.99 3.38 -0.28 -0.53 -0.00 -1.26 0.84 118.94 120.10 1f4h s TRP 158 Ca 0.16 1.47 -0.12 0.00 -0.00 0.00 0.00 56.10 57.61 1f4h s TRP 158 Cb -0.10 -3.26 -0.13 0.00 -0.00 0.00 0.00 33.47 29.97 1f4h s TRP 158 CO 0.07 -0.54 -0.34 0.28 -0.00 0.00 0.00 176.95 176.42 1f4h n VAL 159 N 4.83 1.52 -1.16 5.86 0.31 0.22 -4.93 118.33 124.99 1f4h n VAL 159 Ca 0.10 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1f4h n VAL 159 Cb 0.47 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1f4h n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f4h n GLY 160 N 1.39 -1.37 3.07 2.92 0.00 -1.14 -4.79 105.19 105.27 1f4h n GLY 160 Ca -0.54 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1f4h n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f4h s TYR 161 N -2.36 0.64 -0.21 1.61 5.04 -1.09 0.15 117.35 121.13 1f4h s TYR 161 Ca 0.00 -0.63 -0.14 0.00 -2.44 0.00 0.00 57.07 53.86 1f4h s TYR 161 Cb 0.00 -0.39 0.06 0.00 0.35 0.00 0.00 41.96 41.98 1f4h s TYR 161 CO 0.00 -0.13 0.53 0.20 -1.34 0.00 0.00 175.55 174.80 1f4h s GLY 162 N -1.95 -0.43 0.32 8.97 0.00 -0.29 -2.13 107.32 111.81 1f4h s GLY 162 Ca -0.05 1.76 0.08 0.00 0.00 0.00 0.00 44.72 46.51 1f4h s GLY 162 CO -0.02 1.75 0.22 1.20 0.00 0.00 0.00 173.10 176.26 1f4h s GLN 163 N 1.09 2.63 -0.01 2.90 -0.21 -0.22 -1.62 119.66 124.21 1f4h s GLN 163 Ca -0.06 -1.35 -0.01 0.00 0.02 0.00 0.00 55.36 53.96 1f4h s GLN 163 Cb -0.06 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.57 1f4h s GLN 163 CO -0.10 0.15 0.01 -3.47 -2.12 0.00 0.00 175.29 169.76 1f4h n ASP 164 N -1.26 -2.14 0.09 5.90 -0.08 -1.25 -4.94 116.55 112.85 1f4h n ASP 164 Ca -0.03 0.11 -0.08 0.00 -1.51 0.00 0.00 54.79 53.28 1f4h n ASP 164 Cb 0.60 -1.31 -0.04 0.00 2.34 0.00 0.00 41.12 42.71 1f4h n ASP 164 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1f4h h SER 165 N 0.30 0.16 0.88 1.67 0.02 -1.79 -3.19 113.55 111.61 1f4h h SER 165 Ca -0.03 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1f4h h SER 165 Cb 0.06 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1f4h h SER 165 CO 0.00 1.00 0.00 0.54 -1.14 0.00 0.00 176.83 177.23 1f4h n ARG 166 N -3.56 0.07 -4.31 3.45 5.12 -1.26 -3.38 116.66 112.79 1f4h n ARG 166 Ca -0.03 0.16 -0.16 0.00 -1.93 0.00 0.00 57.85 55.89 1f4h n ARG 166 Cb 0.85 -1.59 -0.10 0.00 -1.16 0.00 0.00 32.46 30.46 1f4h n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1f4h s LEU 167 N -3.42 2.39 0.14 0.55 1.43 -1.20 -4.47 118.68 114.09 1f4h s LEU 167 Ca 0.10 -1.11 -0.31 0.00 -1.03 0.00 0.00 54.13 51.78 1f4h s LEU 167 Cb 0.14 -0.37 -0.08 0.00 0.03 0.00 0.00 46.19 45.91 1f4h s LEU 167 CO 0.44 -0.39 1.33 -2.16 0.23 0.00 0.00 176.35 175.80 1f4h s PRO 168 N -3.78 4.36 -0.22 1.29 0.05 -1.24 -4.51 135.00 130.96 1f4h s PRO 168 Ca 0.23 2.02 -0.06 0.00 0.05 0.00 0.00 61.00 63.24 1f4h s PRO 168 Cb 0.04 -3.24 -0.03 0.00 0.05 0.00 0.00 34.50 31.31 1f4h s PRO 168 CO 0.05 -0.34 0.04 -1.12 0.05 0.00 0.00 177.00 175.68 1f4h s SER 169 N 0.82 5.08 -0.09 6.66 0.01 0.89 -4.96 113.70 122.11 1f4h s SER 169 Ca 0.61 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.73 1f4h s SER 169 Cb -0.36 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1f4h s SER 169 CO 0.33 0.04 -0.12 -1.61 0.41 0.00 0.00 173.24 172.29 1f4h s GLU 170 N 1.15 2.92 -0.00 12.44 2.02 -1.26 -2.02 118.70 133.94 1f4h s GLU 170 Ca 0.04 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1f4h s GLU 170 Cb -0.14 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1f4h s GLU 170 CO 0.02 0.46 -0.00 -0.06 0.02 0.00 0.00 175.26 175.70 1f4h s PHE 171 N -0.28 0.04 -0.29 1.61 0.40 -0.65 0.17 117.98 118.98 1f4h s PHE 171 Ca 0.02 -0.00 -0.20 0.00 -0.60 0.00 0.00 56.93 56.16 1f4h s PHE 171 Cb -0.13 -0.04 -0.01 0.00 0.51 0.00 0.00 43.02 43.35 1f4h s PHE 171 CO 0.03 -0.01 0.60 0.34 0.70 0.00 0.00 175.22 176.88 1f4h s ASP 172 N 0.04 6.49 -0.08 1.36 -1.08 -1.26 -0.57 116.67 121.57 1f4h s ASP 172 Ca -0.00 0.47 0.12 0.00 -0.52 0.00 0.00 52.55 52.62 1f4h s ASP 172 Cb -0.01 -2.32 0.31 0.00 -1.46 0.00 0.00 42.92 39.45 1f4h s ASP 172 CO -0.00 -0.42 1.24 0.18 0.52 0.00 0.00 175.17 176.69 1f4h n LEU 173 N 5.77 2.95 -0.14 -1.34 4.77 0.23 -4.62 117.00 124.61 1f4h n LEU 173 Ca -0.02 -2.50 0.27 0.00 -0.03 0.00 0.00 56.01 53.74 1f4h n LEU 173 Cb 0.49 -0.32 0.57 0.00 -2.33 0.00 0.00 43.42 41.84 1f4h n LEU 173 CO 0.44 0.67 1.25 0.28 -1.33 0.00 0.00 177.39 178.69 1f4h h SER 174 N 1.24 0.00 -0.17 -1.43 0.02 -1.83 0.09 113.55 111.47 1f4h h SER 174 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1f4h h SER 174 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1f4h h SER 174 CO 0.07 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1f4h n ALA 175 N -2.33 2.34 -0.01 3.77 0.00 -1.26 -4.50 120.51 118.52 1f4h n ALA 175 Ca 0.19 -0.85 0.06 0.00 0.00 0.00 0.00 53.44 52.84 1f4h n ALA 175 Cb 1.24 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 20.20 1f4h n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1f4h n PHE 176 N 0.56 0.00 -2.59 0.00 3.01 -0.01 -4.99 117.46 113.44 1f4h n PHE 176 Ca 0.09 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.20 1f4h n PHE 176 Cb 0.34 -0.31 -0.04 0.00 -0.01 0.00 0.00 39.48 39.46 1f4h n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1f4h s LEU 177 N -3.95 3.96 0.14 4.37 1.43 -1.03 -4.66 118.68 118.94 1f4h s LEU 177 Ca -0.05 1.93 0.05 0.00 -1.03 0.00 0.00 54.13 55.04 1f4h s LEU 177 Cb 0.08 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 1f4h s LEU 177 CO 0.52 -0.62 -0.12 0.00 0.23 0.00 0.00 176.35 176.36 1f4h s ARG 178 N -2.97 1.05 0.02 1.70 1.70 -1.26 -5.04 118.95 114.15 1f4h s ARG 178 Ca 0.63 -1.36 -0.30 0.00 -0.47 0.00 0.00 55.73 54.23 1f4h s ARG 178 Cb -0.17 -0.76 -0.04 0.00 -0.57 0.00 0.00 34.95 33.40 1f4h s ARG 178 CO 0.21 0.12 1.16 0.00 -1.08 0.00 0.00 175.30 175.72 1f4h s ALA 179 N -2.78 3.38 0.00 7.88 0.00 -1.26 -4.66 121.76 124.32 1f4h s ALA 179 Ca 0.13 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1f4h s ALA 179 Cb -0.01 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1f4h s ALA 179 CO 0.02 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1f4h n GLY 180 N 3.20 1.06 3.70 0.00 0.00 -0.20 -4.95 105.19 108.00 1f4h n GLY 180 Ca 0.09 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1f4h n GLY 180 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f4h s GLU 181 N 0.00 4.37 0.06 1.61 2.12 -1.26 0.08 118.70 125.68 1f4h s GLU 181 Ca 0.00 1.74 0.00 0.00 0.36 0.00 0.00 54.97 57.08 1f4h s GLU 181 Cb 0.00 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1f4h s GLU 181 CO 0.00 -0.40 -0.05 -0.80 -0.54 0.00 0.00 175.26 173.47 1f4h s ASN 182 N 1.40 0.71 0.04 -1.70 0.01 0.44 -4.84 114.94 110.99 1f4h s ASN 182 Ca 0.58 -0.85 0.05 0.00 -0.71 0.00 0.00 52.86 51.93 1f4h s ASN 182 Cb -0.27 0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.49 1f4h s ASN 182 CO 0.25 -0.45 -0.15 -0.60 -1.51 0.00 0.00 177.10 174.64 1f4h s ARG 183 N -3.13 1.00 0.00 -0.60 3.52 -1.26 0.48 118.95 118.96 1f4h s ARG 183 Ca 0.02 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 54.94 1f4h s ARG 183 Cb 0.01 -1.02 -0.02 0.00 -1.56 0.00 0.00 34.95 32.37 1f4h s ARG 183 CO -0.05 0.25 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.95 1f4h s LEU 184 N -1.08 2.08 -0.30 -0.88 1.43 -0.53 0.11 118.68 119.52 1f4h s LEU 184 Ca 0.03 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1f4h s LEU 184 Cb -0.08 -1.19 0.10 0.00 0.03 0.00 0.00 46.19 45.05 1f4h s LEU 184 CO 0.01 0.26 0.09 0.00 0.23 0.00 0.00 176.35 176.95 1f4h s ALA 185 N -0.63 1.42 -0.18 4.21 0.00 0.21 -0.95 121.76 125.84 1f4h s ALA 185 Ca 0.09 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.38 1f4h s ALA 185 Cb -0.09 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1f4h s ALA 185 CO 0.00 -1.61 0.34 0.08 0.00 0.00 0.00 175.76 174.58 1f4h s VAL 186 N 1.67 5.25 -0.43 0.00 1.01 -0.47 -2.63 120.40 124.81 1f4h s VAL 186 Ca 0.08 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1f4h s VAL 186 Cb -0.17 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.65 1f4h s VAL 186 CO -0.24 0.32 0.16 0.00 0.00 0.00 0.00 175.10 175.34 1f4h s MET 187 N 0.91 1.66 0.02 2.72 0.23 -0.92 -0.75 119.30 123.17 1f4h s MET 187 Ca 0.18 -2.19 -0.27 0.00 -1.03 0.00 0.00 55.69 52.38 1f4h s MET 187 Cb -0.14 -3.14 -0.05 0.00 -1.53 0.00 0.00 34.83 29.98 1f4h s MET 187 CO 0.06 -1.04 0.83 0.08 -2.03 0.00 0.00 175.02 172.93 1f4h s VAL 188 N 0.34 4.79 -0.13 5.16 1.01 -0.86 -2.47 120.40 128.24 1f4h s VAL 188 Ca 0.14 1.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.86 1f4h s VAL 188 Cb -0.23 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1f4h s VAL 188 CO -0.05 0.29 -0.05 -0.76 0.00 0.00 0.00 175.10 174.53 1f4h s LEU 189 N 0.37 3.20 0.00 3.92 1.43 -0.77 -0.32 118.68 126.50 1f4h s LEU 189 Ca 0.43 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1f4h s LEU 189 Cb -0.21 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1f4h s LEU 189 CO 0.24 0.21 0.47 -1.14 0.23 0.00 0.00 176.35 176.36 1f4h n ARG 190 N 3.23 0.00 -2.54 1.70 0.63 -0.99 -1.37 116.66 117.32 1f4h n ARG 190 Ca -0.18 0.10 -0.39 0.00 -0.92 0.00 0.00 57.85 56.46 1f4h n ARG 190 Cb 0.53 -0.99 -0.05 0.00 0.45 0.00 0.00 32.46 32.40 1f4h n ARG 190 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1f4h s TRP 191 N -1.14 3.58 0.28 -0.14 0.52 -1.26 -3.32 118.94 117.45 1f4h s TRP 191 Ca 0.00 1.72 -0.09 0.00 0.02 0.00 0.00 56.10 57.76 1f4h s TRP 191 Cb 0.00 -3.20 -0.00 0.00 -1.15 0.00 0.00 33.47 29.12 1f4h s TRP 191 CO 0.00 -0.40 0.46 0.45 0.02 0.00 0.00 176.95 177.48 1f4h s SER 192 N -1.08 0.25 0.45 2.95 0.15 -1.26 -4.91 113.70 110.25 1f4h s SER 192 Ca 0.47 -1.16 0.25 0.00 0.70 0.00 0.00 55.95 56.21 1f4h s SER 192 Cb -0.29 0.60 0.84 0.00 -1.71 0.00 0.00 66.02 65.46 1f4h s SER 192 CO 0.37 -1.18 1.79 -2.24 1.20 0.00 0.00 173.24 173.17 1f4h h ASP 193 N 2.24 0.00 0.14 5.45 3.04 -0.48 -1.85 116.42 124.96 1f4h h ASP 193 Ca -0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1f4h h ASP 193 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1f4h h ASP 193 CO 0.39 0.17 0.00 0.61 -2.04 0.00 0.00 179.24 178.36 1f4h n GLY 194 N 0.39 -0.69 0.07 7.15 0.00 -1.26 -1.18 105.19 109.67 1f4h n GLY 194 Ca 0.01 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1f4h n GLY 194 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f4h h SER 195 N 0.00 0.07 0.00 1.61 0.02 -1.69 -3.07 113.55 110.49 1f4h h SER 195 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1f4h h SER 195 Cb 0.07 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1f4h h SER 195 CO 0.00 1.07 0.04 1.88 -1.14 0.00 0.00 176.83 178.68 1f4h h TYR 196 N 0.01 0.00 -0.06 3.45 -1.99 -1.32 0.15 116.97 117.22 1f4h h TYR 196 Ca -0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1f4h h TYR 196 Cb 1.84 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.57 1f4h h TYR 196 CO 0.01 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.45 1f4h n LEU 197 N -2.77 2.07 -2.51 3.88 4.77 -1.16 -4.19 117.00 117.09 1f4h n LEU 197 Ca -0.02 -0.72 -0.19 0.00 -0.03 0.00 0.00 56.01 55.05 1f4h n LEU 197 Cb 0.10 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1f4h n LEU 197 CO 0.16 0.36 0.08 -0.62 -1.33 0.00 0.00 177.39 176.03 1f4h n GLU 198 N 0.61 2.61 -1.35 3.23 1.02 0.53 -0.63 120.64 126.66 1f4h n GLU 198 Ca 0.17 -4.00 -0.23 0.00 -0.02 0.00 0.00 57.16 53.08 1f4h n GLU 198 Cb 0.44 -1.89 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 1f4h n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1f4h n ASP 199 N -0.39 6.29 -4.76 1.62 2.03 0.71 -4.94 116.55 117.12 1f4h n ASP 199 Ca 0.28 -3.08 -0.41 0.00 0.52 0.00 0.00 54.79 52.10 1f4h n ASP 199 Cb 0.76 -1.24 -0.03 0.00 -0.72 0.00 0.00 41.12 39.89 1f4h n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1f4h s GLN 200 N -1.34 4.51 -0.99 -0.67 1.11 -1.26 -4.53 119.66 116.49 1f4h s GLN 200 Ca 0.56 1.98 -0.24 0.00 0.01 0.00 0.00 55.36 57.67 1f4h s GLN 200 Cb 0.36 -3.14 -0.09 0.00 -1.01 0.00 0.00 33.01 29.12 1f4h s GLN 200 CO -0.17 0.03 2.04 0.34 0.01 0.00 0.00 175.29 177.53 1f4h s ASP 201 N -0.64 4.71 0.08 5.90 2.15 -1.24 -4.74 116.67 122.89 1f4h s ASP 201 Ca 0.47 -0.89 -0.27 0.00 0.43 0.00 0.00 52.55 52.29 1f4h s ASP 201 Cb -0.35 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 39.78 1f4h s ASP 201 CO 0.46 -3.26 1.10 0.00 -0.17 0.00 0.00 175.17 173.30 1f4h s MET 202 N 7.31 0.86 0.28 4.34 0.23 -1.22 -5.00 119.30 126.10 1f4h s MET 202 Ca 0.74 -0.48 -0.30 0.00 -1.03 0.00 0.00 55.69 54.62 1f4h s MET 202 Cb -0.06 0.29 -0.12 0.00 -1.53 0.00 0.00 34.83 33.41 1f4h s MET 202 CO 0.07 -0.39 1.57 0.91 -2.03 0.00 0.00 175.02 175.15 1f4h n TRP 203 N -0.49 2.72 -3.01 3.16 7.02 -1.26 -4.28 117.44 121.30 1f4h n TRP 203 Ca -0.07 0.27 -0.44 0.00 -1.02 0.00 0.00 57.50 56.24 1f4h n TRP 203 Cb 0.62 -2.58 -0.05 0.00 -2.42 0.00 0.00 31.31 26.88 1f4h n TRP 203 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1f4h s ARG 204 N -0.36 3.12 0.00 -0.99 1.81 0.66 -4.87 118.95 118.32 1f4h s ARG 204 Ca 0.66 -0.93 0.00 0.00 -1.72 0.00 0.00 55.73 53.73 1f4h s ARG 204 Cb -0.53 -4.19 0.00 0.00 -0.45 0.00 0.00 34.95 29.78 1f4h s ARG 204 CO 0.47 -1.55 0.00 -1.33 -0.68 0.00 0.00 175.30 172.21 1f4h n MET 205 N 6.88 3.22 -3.66 3.54 2.81 -1.26 -1.63 117.12 127.02 1f4h n MET 205 Ca -0.06 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.83 1f4h n MET 205 Cb 0.45 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.95 1f4h n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1f4h s SER 206 N 0.17 -0.11 0.00 7.83 1.04 -1.26 -4.81 113.70 116.55 1f4h s SER 206 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1f4h s SER 206 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1f4h s SER 206 CO 0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1f4h n GLY 207 N -0.45 2.14 3.56 7.32 0.00 0.25 -2.62 105.19 115.40 1f4h n GLY 207 Ca -0.07 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 1f4h n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f4h s ILE 208 N -2.25 3.07 -1.79 -0.61 1.01 -1.25 -3.36 121.20 116.02 1f4h s ILE 208 Ca 0.00 -0.06 0.22 0.00 0.00 0.00 0.00 60.65 60.81 1f4h s ILE 208 Cb 0.00 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.17 1f4h s ILE 208 CO 0.00 -0.14 1.05 2.22 0.00 0.00 0.00 174.94 178.06 1f4h n PHE 209 N 18.21 0.00 -4.48 3.97 1.16 -0.20 0.41 117.46 136.53 1f4h n PHE 209 Ca 0.46 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.81 1f4h n PHE 209 Cb 0.44 -0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.21 1f4h n PHE 209 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1f4h s ARG 210 N -2.61 1.72 1.03 3.97 0.52 -1.05 -4.43 118.95 118.09 1f4h s ARG 210 Ca 0.16 -1.97 -0.18 0.00 -0.52 0.00 0.00 55.73 53.22 1f4h s ARG 210 Cb 0.18 -0.90 -0.02 0.00 0.52 0.00 0.00 34.95 34.73 1f4h s ARG 210 CO 0.64 -0.22 -0.31 -0.25 0.02 0.00 0.00 175.30 175.19 1f4h n ASP 211 N -0.79 -3.06 -3.91 0.23 9.92 -1.26 -4.49 116.55 113.20 1f4h n ASP 211 Ca -0.03 0.09 -0.20 0.00 -0.53 0.00 0.00 54.79 54.12 1f4h n ASP 211 Cb 0.66 -0.91 -0.16 0.00 -0.64 0.00 0.00 41.12 40.07 1f4h n ASP 211 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1f4h s VAL 212 N -2.20 0.54 0.20 2.53 1.01 -1.25 -2.75 120.40 118.48 1f4h s VAL 212 Ca 0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 1f4h s VAL 212 Cb -0.11 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1f4h s VAL 212 CO 0.69 0.22 0.20 -0.44 0.00 0.00 0.00 175.10 175.78 1f4h s SER 213 N 0.79 0.11 -0.09 3.32 0.01 0.06 -0.82 113.70 117.07 1f4h s SER 213 Ca -0.11 -1.24 -0.00 0.00 1.31 0.00 0.00 55.95 55.92 1f4h s SER 213 Cb -0.13 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.54 1f4h s SER 213 CO 0.00 -0.89 -0.07 -0.76 0.41 0.00 0.00 173.24 171.93 1f4h s LEU 214 N -3.10 1.16 -0.16 2.44 1.43 0.12 -0.66 118.68 119.91 1f4h s LEU 214 Ca 0.32 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1f4h s LEU 214 Cb 0.05 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.52 1f4h s LEU 214 CO 0.09 -0.10 -0.12 -0.22 0.23 0.00 0.00 176.35 176.23 1f4h s LEU 215 N 1.55 2.67 -0.42 1.79 2.96 0.14 -0.85 118.68 126.52 1f4h s LEU 215 Ca 0.01 -0.39 -0.18 0.00 -0.22 0.00 0.00 54.13 53.35 1f4h s LEU 215 Cb -0.13 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.96 1f4h s LEU 215 CO -0.05 0.09 0.47 -2.28 -1.32 0.00 0.00 176.35 173.25 1f4h s HIS 216 N 0.78 3.16 0.16 5.38 5.65 -0.11 -1.08 115.29 129.23 1f4h s HIS 216 Ca -0.05 -0.29 0.08 0.00 0.25 0.00 0.00 55.06 55.05 1f4h s HIS 216 Cb -0.15 -2.95 -0.04 0.00 -1.18 0.00 0.00 32.58 28.26 1f4h s HIS 216 CO 0.01 -0.71 -0.06 0.21 -0.65 0.00 0.00 174.74 173.55 1f4h s LYS 217 N 2.24 2.22 1.02 2.88 2.20 0.62 -4.83 119.74 126.08 1f4h s LYS 217 Ca 0.14 -1.15 -0.12 0.00 -0.36 0.00 0.00 55.97 54.48 1f4h s LYS 217 Cb -0.17 -2.28 0.20 0.00 -1.51 0.00 0.00 37.83 34.08 1f4h s LYS 217 CO 0.14 0.46 1.08 -1.25 -0.36 0.00 0.00 175.35 175.42 1f4h s PRO 218 N -2.74 0.26 0.19 4.03 0.05 -1.26 0.93 135.00 136.46 1f4h s PRO 218 Ca 0.25 0.94 0.04 0.00 0.05 0.00 0.00 61.00 62.28 1f4h s PRO 218 Cb -0.09 -1.68 0.09 0.00 0.05 0.00 0.00 34.50 32.87 1f4h s PRO 218 CO 0.16 -2.96 1.45 1.15 0.05 0.00 0.00 177.00 176.85 1f4h h THR 219 N -2.08 1.46 -3.73 1.26 2.02 -1.93 -3.40 112.91 106.52 1f4h h THR 219 Ca -0.54 -2.39 -0.69 0.00 0.77 0.00 0.00 66.41 63.56 1f4h h THR 219 Cb 1.30 2.30 -0.32 0.00 -1.74 0.00 0.00 68.15 69.70 1f4h h THR 219 CO 0.51 0.70 -0.67 -0.89 0.37 0.00 0.00 175.52 175.54 1f4h s THR 220 N -3.40 3.22 0.21 3.16 2.01 -1.26 -4.27 115.64 115.31 1f4h s THR 220 Ca -0.03 -1.36 -0.01 0.00 0.31 0.00 0.00 61.69 60.61 1f4h s THR 220 Cb 0.11 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.76 1f4h s THR 220 CO 0.81 -0.16 0.29 0.00 -0.69 0.00 0.00 174.62 174.87 1f4h n GLN 221 N 4.67 0.42 -3.12 4.92 10.64 -0.57 -4.89 117.38 129.44 1f4h n GLN 221 Ca -0.12 -1.75 -0.43 0.00 -1.83 0.00 0.00 57.00 52.87 1f4h n GLN 221 Cb 0.44 1.66 -0.07 0.00 -0.86 0.00 0.00 30.24 31.41 1f4h n GLN 221 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1f4h s ILE 222 N -2.68 4.84 0.11 -0.39 1.01 -1.26 -2.00 121.20 120.82 1f4h s ILE 222 Ca 0.18 -0.06 0.10 0.00 0.00 0.00 0.00 60.65 60.87 1f4h s ILE 222 Cb -0.00 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 38.12 1f4h s ILE 222 CO 0.13 -0.66 1.40 0.77 0.00 0.00 0.00 174.94 176.58 1f4h h SER 223 N 8.92 0.00 -4.35 3.58 4.64 -1.05 -3.47 113.55 121.81 1f4h h SER 223 Ca -0.26 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1f4h h SER 223 Cb 1.10 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.00 1f4h h SER 223 CO 0.91 0.81 0.59 -0.62 -0.87 0.00 0.00 176.83 177.65 1f4h s ASP 224 N -6.68 -0.31 -0.19 4.97 3.68 -0.97 -4.85 116.67 112.32 1f4h s ASP 224 Ca 0.01 0.13 -0.18 0.00 2.13 0.00 0.00 52.55 54.64 1f4h s ASP 224 Cb 0.10 0.30 0.05 0.00 -1.45 0.00 0.00 42.92 41.92 1f4h s ASP 224 CO 0.79 -0.44 0.51 0.72 0.13 0.00 0.00 175.17 176.88 1f4h s PHE 225 N -2.28 -0.56 0.07 -5.34 -0.12 -1.26 -0.29 117.98 108.21 1f4h s PHE 225 Ca 0.04 1.36 0.08 0.00 -0.05 0.00 0.00 56.93 58.36 1f4h s PHE 225 Cb -0.01 0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 1f4h s PHE 225 CO -0.05 -0.27 -0.21 -1.01 -0.05 0.00 0.00 175.22 173.63 1f4h s HIS 226 N 0.25 1.80 0.25 3.49 3.76 -0.58 -4.83 115.29 119.43 1f4h s HIS 226 Ca -0.00 -0.39 0.11 0.00 -0.15 0.00 0.00 55.06 54.63 1f4h s HIS 226 Cb -0.04 -1.04 -0.05 0.00 1.11 0.00 0.00 32.58 32.57 1f4h s HIS 226 CO 0.01 0.14 -0.20 0.08 -0.85 0.00 0.00 174.74 173.91 1f4h s VAL 227 N -0.95 2.35 -0.23 -0.90 1.01 -1.26 -1.75 120.40 118.67 1f4h s VAL 227 Ca 0.07 -2.29 -0.27 0.00 0.00 0.00 0.00 61.98 59.49 1f4h s VAL 227 Cb -0.09 -2.22 0.11 0.00 0.00 0.00 0.00 36.38 34.18 1f4h s VAL 227 CO 0.03 -0.36 0.96 0.00 0.00 0.00 0.00 175.10 175.73 1f4h s ALA 228 N -2.36 -1.92 -0.09 5.51 0.00 -0.96 -4.87 121.76 117.07 1f4h s ALA 228 Ca 0.27 1.77 -0.03 0.00 0.00 0.00 0.00 51.96 53.96 1f4h s ALA 228 Cb -0.05 -1.09 0.05 0.00 0.00 0.00 0.00 23.12 22.02 1f4h s ALA 228 CO 0.13 -0.28 0.16 0.95 0.00 0.00 0.00 175.76 176.72 1f4h s THR 229 N -0.23 -0.25 0.28 0.00 -4.23 -1.26 0.79 115.64 110.73 1f4h s THR 229 Ca 0.00 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1f4h s THR 229 Cb -0.03 -0.30 -0.04 0.00 1.34 0.00 0.00 72.50 73.46 1f4h s THR 229 CO -0.02 0.14 0.50 -0.13 -0.54 0.00 0.00 174.62 174.57 1f4h s ARG 230 N 2.29 3.56 0.37 3.99 0.52 -0.30 -4.88 118.95 124.50 1f4h s ARG 230 Ca 0.03 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.08 1f4h s ARG 230 Cb -0.12 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1f4h s ARG 230 CO -0.06 0.26 0.09 -0.06 0.02 0.00 0.00 175.30 175.55 1f4h s PHE 231 N -2.07 1.85 0.34 -0.53 0.40 -1.26 -0.91 117.98 115.80 1f4h s PHE 231 Ca 0.41 -1.12 0.08 0.00 -0.60 0.00 0.00 56.93 55.70 1f4h s PHE 231 Cb -0.10 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 1f4h s PHE 231 CO 0.31 -0.14 0.17 0.54 0.70 0.00 0.00 175.22 176.80 1f4h s ASN 232 N -3.55 4.80 0.06 1.36 4.22 -1.07 -4.92 114.94 115.84 1f4h s ASN 232 Ca 0.29 -0.72 -0.04 0.00 -2.14 0.00 0.00 52.86 50.25 1f4h s ASN 232 Cb 0.05 -0.77 0.06 0.00 1.28 0.00 0.00 41.25 41.87 1f4h s ASN 232 CO 0.14 -0.31 0.39 -0.90 -2.04 0.00 0.00 177.10 174.38 1f4h n ASP 233 N -1.20 -0.16 -0.76 3.54 5.75 -1.26 0.83 116.55 123.29 1f4h n ASP 233 Ca -0.03 0.44 0.09 0.00 -0.01 0.00 0.00 54.79 55.27 1f4h n ASP 233 Cb 0.61 -0.10 0.11 0.00 -1.03 0.00 0.00 41.12 40.71 1f4h n ASP 233 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1f4h n ASP 234 N -4.37 2.68 -0.09 -1.12 5.68 -1.26 -4.99 116.55 113.07 1f4h n ASP 234 Ca 0.03 -1.78 -0.01 0.00 -0.50 0.00 0.00 54.79 52.52 1f4h n ASP 234 Cb 0.10 -0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 1f4h n ASP 234 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1f4h n PHE 235 N 0.98 0.00 0.82 2.11 3.01 0.24 -4.86 117.46 119.77 1f4h n PHE 235 Ca 0.12 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.69 1f4h n PHE 235 Cb 0.45 -0.66 0.51 0.00 -0.01 0.00 0.00 39.48 39.76 1f4h n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1f4h n SER 236 N 0.09 0.00 -3.95 4.37 3.41 -1.26 -4.45 113.62 111.84 1f4h n SER 236 Ca -0.01 0.50 -0.15 0.00 -0.26 0.00 0.00 58.87 58.95 1f4h n SER 236 Cb 0.13 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.44 1f4h n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1f4h s ARG 237 N -3.00 0.34 0.11 4.33 1.81 -1.26 0.11 118.95 121.39 1f4h s ARG 237 Ca 0.11 -0.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.93 1f4h s ARG 237 Cb 0.16 -0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 1f4h s ARG 237 CO 0.43 0.08 -0.00 0.00 -0.68 0.00 0.00 175.30 175.13 1f4h s ALA 238 N -0.20 0.92 -0.07 2.13 0.00 -0.74 -2.61 121.76 121.18 1f4h s ALA 238 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1f4h s ALA 238 Cb -0.02 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1f4h s ALA 238 CO -0.00 -0.36 -0.07 0.08 0.00 0.00 0.00 175.76 175.41 1f4h s VAL 239 N -3.83 0.83 -0.04 0.00 1.01 -0.09 0.24 120.40 118.51 1f4h s VAL 239 Ca 0.17 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1f4h s VAL 239 Cb 0.07 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1f4h s VAL 239 CO -0.02 0.31 0.43 -0.22 0.00 0.00 0.00 175.10 175.59 1f4h s LEU 240 N 1.18 4.40 -0.13 3.92 2.96 0.20 -1.14 118.68 130.07 1f4h s LEU 240 Ca -0.06 0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 54.74 1f4h s LEU 240 Cb -0.14 -2.61 0.04 0.00 0.50 0.00 0.00 46.19 43.97 1f4h s LEU 240 CO -0.02 0.21 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.51 1f4h s GLU 241 N -0.47 0.93 -0.09 1.98 2.12 0.24 -0.52 118.70 122.89 1f4h s GLU 241 Ca 0.24 -0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.35 1f4h s GLU 241 Cb -0.16 -1.57 -0.03 0.00 0.26 0.00 0.00 34.13 32.63 1f4h s GLU 241 CO 0.12 -0.41 -0.03 0.00 -0.54 0.00 0.00 175.26 174.40 1f4h s ALA 242 N 1.83 3.14 -0.23 6.30 0.00 0.11 -2.26 121.76 130.65 1f4h s ALA 242 Ca 0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1f4h s ALA 242 Cb -0.14 -1.40 0.07 0.00 0.00 0.00 0.00 23.12 21.65 1f4h s ALA 242 CO -0.07 0.53 0.04 -2.00 0.00 0.00 0.00 175.76 174.26 1f4h s GLU 243 N -0.68 0.82 0.03 0.00 2.12 -0.72 0.23 118.70 120.50 1f4h s GLU 243 Ca 0.11 -0.70 0.02 0.00 0.36 0.00 0.00 54.97 54.76 1f4h s GLU 243 Cb -0.12 -2.14 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 1f4h s GLU 243 CO 0.02 -0.74 0.02 0.08 -0.54 0.00 0.00 175.26 174.11 1f4h s VAL 244 N 1.72 4.26 0.01 3.70 1.01 -0.04 -1.53 120.40 129.53 1f4h s VAL 244 Ca 0.01 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1f4h s VAL 244 Cb -0.17 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1f4h s VAL 244 CO -0.13 0.28 -0.01 0.00 0.00 0.00 0.00 175.10 175.24 1f4h s GLN 245 N -1.87 0.18 0.15 2.72 -2.07 0.60 -1.21 119.66 118.16 1f4h s GLN 245 Ca 0.23 -0.32 0.08 0.00 -1.82 0.00 0.00 55.36 53.52 1f4h s GLN 245 Cb -0.12 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.83 1f4h s GLN 245 CO 0.14 -0.03 -0.18 0.00 -1.32 0.00 0.00 175.29 173.91 1f4h s MET 246 N -0.80 1.20 -0.06 9.60 0.23 -0.80 -0.42 119.30 128.25 1f4h s MET 246 Ca -0.09 -1.34 0.05 0.00 -1.03 0.00 0.00 55.69 53.29 1f4h s MET 246 Cb -0.05 -1.25 -0.02 0.00 -1.53 0.00 0.00 34.83 31.98 1f4h s MET 246 CO -0.00 0.26 -0.21 0.00 -2.03 0.00 0.00 175.02 173.03 1f4h n GLY 248 N 2.79 0.62 3.65 0.00 0.00 -1.26 -1.51 105.19 109.48 1f4h n GLY 248 Ca -0.17 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 1f4h n GLY 248 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f4h s GLU 249 N -1.22 3.11 -0.27 1.61 -1.05 -1.26 -5.03 118.70 114.60 1f4h s GLU 249 Ca 0.00 -0.43 -0.23 0.00 -0.15 0.00 0.00 54.97 54.16 1f4h s GLU 249 Cb 0.00 -2.81 -0.01 0.00 -0.44 0.00 0.00 34.13 30.87 1f4h s GLU 249 CO 0.00 0.61 0.76 -0.51 0.95 0.00 0.00 175.26 177.07 1f4h s LEU 250 N -0.64 4.08 -0.08 1.83 1.43 -1.26 -5.00 118.68 119.04 1f4h s LEU 250 Ca 0.10 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 53.99 1f4h s LEU 250 Cb -0.12 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 43.09 1f4h s LEU 250 CO 0.02 -0.51 0.06 -0.13 0.23 0.00 0.00 176.35 176.02 1f4h s ARG 251 N 2.78 0.10 0.22 1.70 3.00 -1.26 -5.03 118.95 120.46 1f4h s ARG 251 Ca 0.31 0.20 0.13 0.00 0.00 0.00 0.00 55.73 56.37 1f4h s ARG 251 Cb -0.15 -0.95 0.44 0.00 0.00 0.00 0.00 34.95 34.29 1f4h s ARG 251 CO 0.09 -0.41 0.51 -0.40 0.00 0.00 0.00 175.30 175.09 1f4h n ASP 252 N 5.26 0.00 0.11 0.23 5.68 -1.26 0.12 116.55 126.68 1f4h n ASP 252 Ca -0.05 0.31 0.13 0.00 -0.50 0.00 0.00 54.79 54.68 1f4h n ASP 252 Cb 0.50 -0.13 0.44 0.00 -1.14 0.00 0.00 41.12 40.79 1f4h n ASP 252 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1f4h n TYR 253 N -2.25 0.85 -2.44 2.11 0.18 -1.26 -4.77 117.16 109.58 1f4h n TYR 253 Ca 0.11 0.27 -0.41 0.00 1.88 0.00 0.00 57.90 59.76 1f4h n TYR 253 Cb 0.63 -0.94 -0.04 0.00 -0.38 0.00 0.00 39.34 38.61 1f4h n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1f4h s LEU 254 N -4.44 4.48 0.08 -3.48 1.43 0.32 0.17 118.68 117.25 1f4h s LEU 254 Ca 0.09 2.20 0.01 0.00 -1.03 0.00 0.00 54.13 55.40 1f4h s LEU 254 Cb 0.12 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1f4h s LEU 254 CO 0.53 -0.28 -0.06 -0.13 0.23 0.00 0.00 176.35 176.65 1f4h s ARG 255 N -0.57 0.77 0.06 1.70 1.81 -0.78 -3.94 118.95 117.99 1f4h s ARG 255 Ca 0.50 -1.30 0.08 0.00 -1.72 0.00 0.00 55.73 53.29 1f4h s ARG 255 Cb -0.32 -0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.07 1f4h s ARG 255 CO 0.37 -0.04 -0.21 0.08 -0.68 0.00 0.00 175.30 174.82 1f4h s VAL 256 N -3.69 1.68 -0.02 3.52 1.01 0.41 -2.77 120.40 120.54 1f4h s VAL 256 Ca 0.10 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.82 1f4h s VAL 256 Cb 0.06 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1f4h s VAL 256 CO -0.06 0.13 -0.11 -0.89 0.00 0.00 0.00 175.10 174.17 1f4h s THR 257 N -0.90 0.91 -0.15 3.92 2.01 -0.40 0.27 115.64 121.30 1f4h s THR 257 Ca 0.07 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1f4h s THR 257 Cb -0.09 -0.78 0.04 0.00 0.01 0.00 0.00 72.50 71.68 1f4h s THR 257 CO 0.02 0.27 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.50 1f4h s VAL 258 N -0.06 0.88 0.09 3.82 1.01 1.37 -0.64 120.40 126.87 1f4h s VAL 258 Ca 0.01 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1f4h s VAL 258 Cb -0.07 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1f4h s VAL 258 CO 0.00 0.13 -0.03 -0.94 0.00 0.00 0.00 175.10 174.26 1f4h s SER 259 N 1.74 4.84 -0.11 3.32 1.04 -0.54 -0.87 113.70 123.11 1f4h s SER 259 Ca 0.02 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 1f4h s SER 259 Cb -0.15 -1.09 0.03 0.00 0.10 0.00 0.00 66.02 64.91 1f4h s SER 259 CO -0.07 0.18 -0.05 -0.22 0.98 0.00 0.00 173.24 174.05 1f4h s LEU 260 N -2.24 1.05 0.16 2.42 2.96 0.36 -1.65 118.68 121.73 1f4h s LEU 260 Ca 0.24 -0.27 0.10 0.00 -0.22 0.00 0.00 54.13 53.98 1f4h s LEU 260 Cb -0.11 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1f4h s LEU 260 CO 0.17 -0.14 -0.19 0.26 -1.32 0.00 0.00 176.35 175.12 1f4h s TRP 261 N 1.78 2.46 -0.78 5.38 0.52 -0.40 0.13 118.94 128.02 1f4h s TRP 261 Ca 0.05 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 55.88 1f4h s TRP 261 Cb -0.13 -1.26 0.19 0.00 -1.15 0.00 0.00 33.47 31.13 1f4h s TRP 261 CO -0.07 0.44 0.62 -1.14 0.02 0.00 0.00 176.95 176.82 1f4h s GLN 262 N -2.45 2.87 3.62 4.98 0.74 0.15 -1.84 119.66 127.73 1f4h s GLN 262 Ca 0.20 -3.19 0.00 0.00 0.05 0.00 0.00 55.36 52.42 1f4h s GLN 262 Cb -0.09 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.29 1f4h s GLN 262 CO 0.11 -1.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.00 1f4h n GLY 263 N 2.37 2.01 0.54 2.59 0.00 -1.26 -2.33 105.19 109.12 1f4h n GLY 263 Ca 0.19 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1f4h n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f4h n GLU 264 N 0.00 1.39 -4.09 1.61 -0.58 -1.26 -4.96 120.64 112.75 1f4h n GLU 264 Ca 0.00 -1.50 -0.35 0.00 -0.42 0.00 0.00 57.16 54.89 1f4h n GLU 264 Cb 0.00 -1.25 -0.14 0.00 -0.57 0.00 0.00 31.44 29.49 1f4h n GLU 264 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1f4h s THR 265 N -0.99 3.50 -0.33 2.62 2.01 -0.98 -5.07 115.64 116.40 1f4h s THR 265 Ca 0.17 -0.46 -0.25 0.00 0.31 0.00 0.00 61.69 61.46 1f4h s THR 265 Cb 0.11 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 70.05 1f4h s THR 265 CO 0.15 0.44 0.89 -1.58 -0.69 0.00 0.00 174.62 173.84 1f4h s GLN 266 N 1.15 3.95 -0.03 4.92 0.74 -1.26 0.30 119.66 129.42 1f4h s GLN 266 Ca 0.02 0.69 -0.01 0.00 0.05 0.00 0.00 55.36 56.11 1f4h s GLN 266 Cb -0.15 -3.75 -0.26 0.00 1.10 0.00 0.00 33.01 29.95 1f4h s GLN 266 CO -0.00 -0.81 0.73 0.28 -0.55 0.00 0.00 175.29 174.93 1f4h h VAL 267 N 5.69 0.99 -1.49 1.34 2.07 0.64 -3.48 116.25 122.02 1f4h h VAL 267 Ca -0.23 -2.69 0.14 0.00 0.82 0.00 0.00 66.70 64.74 1f4h h VAL 267 Cb 1.08 2.64 -0.23 0.00 -1.52 0.00 0.00 31.29 33.27 1f4h h VAL 267 CO 0.95 0.77 0.67 0.00 0.02 0.00 0.00 177.57 179.98 1f4h s ALA 268 N -2.60 -1.99 -0.00 1.67 0.00 -1.12 -4.96 121.76 112.76 1f4h s ALA 268 Ca -0.11 1.61 -0.06 0.00 0.00 0.00 0.00 51.96 53.41 1f4h s ALA 268 Cb 0.07 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 1f4h s ALA 268 CO 0.83 -0.36 0.11 0.45 0.00 0.00 0.00 175.76 176.79 1f4h s SER 269 N -1.34 0.04 -0.20 0.00 0.15 -1.26 0.14 113.70 111.22 1f4h s SER 269 Ca 0.03 -0.20 -0.17 0.00 0.70 0.00 0.00 55.95 56.31 1f4h s SER 269 Cb -0.01 0.20 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 1f4h s SER 269 CO -0.02 -0.32 0.53 -0.83 1.20 0.00 0.00 173.24 173.79 1f4h s GLY 270 N -1.22 -0.41 0.03 9.45 0.00 -0.05 -4.97 107.32 110.15 1f4h s GLY 270 Ca -0.13 1.58 0.04 0.00 0.00 0.00 0.00 44.72 46.21 1f4h s GLY 270 CO 0.01 1.44 -0.13 -1.59 0.00 0.00 0.00 173.10 172.83 1f4h s THR 271 N 0.54 0.99 -0.18 0.90 2.01 -1.25 0.41 115.64 119.06 1f4h s THR 271 Ca -0.02 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1f4h s THR 271 Cb -0.04 -0.89 0.14 0.00 0.01 0.00 0.00 72.50 71.72 1f4h s THR 271 CO -0.03 0.04 1.06 0.00 -0.69 0.00 0.00 174.62 175.00 1f4h s ALA 272 N -0.71 -1.96 0.90 7.40 0.00 0.76 -4.92 121.76 123.23 1f4h s ALA 272 Ca 0.01 1.63 -0.13 0.00 0.00 0.00 0.00 51.96 53.47 1f4h s ALA 272 Cb -0.07 -0.83 0.14 0.00 0.00 0.00 0.00 23.12 22.36 1f4h s ALA 272 CO 0.01 -0.30 1.19 -1.25 0.00 0.00 0.00 175.76 175.40 1f4h s PRO 273 N -1.12 1.18 0.85 0.00 0.04 -1.26 0.15 135.00 134.84 1f4h s PRO 273 Ca 0.00 0.06 -0.11 0.00 0.04 0.00 0.00 61.00 60.98 1f4h s PRO 273 Cb -0.01 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.77 1f4h s PRO 273 CO -0.00 -2.13 1.09 -0.06 0.04 0.00 0.00 177.00 175.95 1f4h s PHE 274 N -3.50 2.50 0.00 0.56 0.40 -1.25 -4.81 117.98 111.88 1f4h s PHE 274 Ca 0.66 1.29 0.00 0.00 -0.60 0.00 0.00 56.93 58.28 1f4h s PHE 274 Cb -0.11 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.30 1f4h s PHE 274 CO 0.52 -2.12 0.00 0.41 0.70 0.00 0.00 175.22 174.73 1f4h n GLY 275 N -1.38 1.66 2.75 4.36 0.00 0.46 -4.96 105.19 108.07 1f4h n GLY 275 Ca 0.07 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 1f4h n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 276 N 1.90 0.87 3.52 -0.02 0.00 0.52 -4.78 105.19 107.21 1f4h n GLY 276 Ca 0.00 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 1f4h n GLY 276 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f4h s GLU 277 N -4.24 -0.62 -0.26 1.61 8.01 -1.26 -4.56 118.70 117.37 1f4h s GLU 277 Ca 0.46 0.92 -0.26 0.00 0.01 0.00 0.00 54.97 56.10 1f4h s GLU 277 Cb -0.03 -1.58 0.00 0.00 -4.31 0.00 0.00 34.13 28.21 1f4h s GLU 277 CO 0.31 -3.55 0.93 0.42 0.01 0.00 0.00 175.26 173.37 1f4h s ILE 278 N -2.51 4.72 -0.11 -1.63 1.09 -1.26 -3.89 121.20 117.62 1f4h s ILE 278 Ca 0.68 1.67 0.02 0.00 -1.10 0.00 0.00 60.65 61.92 1f4h s ILE 278 Cb -0.24 -4.23 -0.24 0.00 -1.06 0.00 0.00 42.46 36.68 1f4h s ILE 278 CO 0.63 -0.21 0.40 2.30 -0.10 0.00 0.00 174.94 177.97 1f4h n ILE 279 N 5.43 1.67 -3.32 2.92 -5.35 -0.71 -4.91 119.36 115.10 1f4h n ILE 279 Ca 0.08 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 1f4h n ILE 279 Cb 0.47 -1.38 0.00 0.00 -1.74 0.00 0.00 39.64 36.99 1f4h n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1f4h n ASP 280 N -3.26 0.00 0.30 7.28 3.85 -1.05 -4.98 116.55 118.68 1f4h n ASP 280 Ca -0.28 -0.61 0.20 0.00 -0.71 0.00 0.00 54.79 53.39 1f4h n ASP 280 Cb 1.05 0.00 1.02 0.00 -1.35 0.00 0.00 41.12 41.84 1f4h n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1f4h h GLU 281 N 0.00 0.00 0.00 0.11 3.07 -2.04 -2.12 114.58 113.59 1f4h h GLU 281 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1f4h h GLU 281 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1f4h h GLU 281 CO 0.00 0.00 -0.96 0.54 -1.40 0.00 0.00 179.01 177.19 1f4h n ARG 282 N -2.97 0.55 0.00 2.33 1.74 -1.26 -5.11 116.66 111.93 1f4h n ARG 282 Ca -0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1f4h n ARG 282 Cb 0.12 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1f4h n ARG 282 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f4h n GLY 283 N 1.46 0.21 0.00 -0.13 0.00 -0.80 -5.06 105.19 100.87 1f4h n GLY 283 Ca 0.03 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1f4h n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 284 N 0.00 6.36 3.47 -0.02 0.00 -1.25 -1.74 105.19 112.01 1f4h n GLY 284 Ca 0.00 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 1f4h n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f4h s TYR 285 N 1.42 3.17 0.09 1.61 1.51 -1.26 -4.95 117.35 118.93 1f4h s TYR 285 Ca 0.00 -0.42 0.09 0.00 -1.01 0.00 0.00 57.07 55.72 1f4h s TYR 285 Cb 0.00 -2.34 -0.13 0.00 -0.11 0.00 0.00 41.96 39.38 1f4h s TYR 285 CO 0.00 -0.39 1.33 0.00 -1.11 0.00 0.00 175.55 175.38 1f4h h ALA 286 N 8.34 0.44 -0.42 3.71 0.00 -1.94 0.15 119.26 129.55 1f4h h ALA 286 Ca -0.34 -0.82 -0.14 0.00 0.00 0.00 0.00 54.91 53.61 1f4h h ALA 286 Cb 1.16 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1f4h h ALA 286 CO 0.60 1.12 0.18 -0.40 0.00 0.00 0.00 179.25 180.75 1f4h n ASP 287 N -3.36 3.43 -4.06 0.00 5.75 -1.26 -1.92 116.55 115.13 1f4h n ASP 287 Ca 0.00 -2.67 -0.09 0.00 -0.01 0.00 0.00 54.79 52.03 1f4h n ASP 287 Cb 0.89 -0.64 -0.10 0.00 -1.03 0.00 0.00 41.12 40.23 1f4h n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1f4h s ARG 288 N -1.81 0.53 -0.26 0.11 0.52 -1.21 -1.90 118.95 114.92 1f4h s ARG 288 Ca 0.29 -0.98 -0.25 0.00 -0.52 0.00 0.00 55.73 54.27 1f4h s ARG 288 Cb 0.23 0.08 0.07 0.00 0.52 0.00 0.00 34.95 35.85 1f4h s ARG 288 CO 0.07 -0.06 0.73 0.54 0.02 0.00 0.00 175.30 176.60 1f4h s VAL 289 N -2.79 0.00 -0.16 3.52 0.11 -0.35 -0.40 120.40 120.33 1f4h s VAL 289 Ca -0.02 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1f4h s VAL 289 Cb -0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1f4h s VAL 289 CO -0.05 0.00 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.71 1f4h s THR 290 N 0.33 2.96 0.13 5.04 2.01 -1.26 -0.86 115.64 123.98 1f4h s THR 290 Ca -0.00 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.35 1f4h s THR 290 Cb -0.05 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1f4h s THR 290 CO 0.01 0.50 0.22 -1.48 -0.69 0.00 0.00 174.62 173.18 1f4h s LEU 291 N 0.77 4.19 -0.27 4.42 0.05 0.62 -4.86 118.68 123.60 1f4h s LEU 291 Ca -0.05 0.12 -0.01 0.00 0.05 0.00 0.00 54.13 54.24 1f4h s LEU 291 Cb -0.15 -2.79 0.08 0.00 -2.05 0.00 0.00 46.19 41.28 1f4h s LEU 291 CO 0.01 0.09 0.05 -0.13 -0.55 0.00 0.00 176.35 175.82 1f4h s ARG 292 N -2.99 0.92 -0.13 1.48 0.52 -1.26 0.09 118.95 117.58 1f4h s ARG 292 Ca 0.33 -0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 54.55 1f4h s ARG 292 Cb -0.11 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 1f4h s ARG 292 CO 0.27 -0.83 -0.02 -0.51 0.02 0.00 0.00 175.30 174.23 1f4h s LEU 293 N 1.58 3.40 0.00 2.53 1.43 0.32 -4.95 118.68 123.00 1f4h s LEU 293 Ca 0.04 -0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 1f4h s LEU 293 Cb -0.18 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1f4h s LEU 293 CO -0.16 0.24 0.54 0.20 0.23 0.00 0.00 176.35 177.39 1f4h s ASN 294 N -0.04 6.93 -0.10 2.29 -0.87 -1.26 0.61 114.94 122.51 1f4h s ASN 294 Ca 0.02 1.11 0.04 0.00 -1.57 0.00 0.00 52.86 52.46 1f4h s ASN 294 Cb -0.13 -2.33 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 1f4h s ASN 294 CO 0.02 0.17 -0.22 -0.69 -2.57 0.00 0.00 177.10 173.82 1f4h s VAL 295 N -0.49 1.92 -0.07 1.60 1.01 0.14 -4.92 120.40 119.59 1f4h s VAL 295 Ca 0.29 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1f4h s VAL 295 Cb -0.18 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1f4h s VAL 295 CO 0.16 0.53 0.44 -1.61 0.00 0.00 0.00 175.10 174.62 1f4h s GLU 296 N 0.43 4.17 -1.27 2.72 0.41 -1.26 -1.80 118.70 122.10 1f4h s GLU 296 Ca -0.17 0.42 -0.18 0.00 -0.41 0.00 0.00 54.97 54.62 1f4h s GLU 296 Cb -0.17 -3.35 0.01 0.00 -1.78 0.00 0.00 34.13 28.84 1f4h s GLU 296 CO 0.07 0.39 0.58 0.09 -0.49 0.00 0.00 175.26 175.90 1f4h n ASN 297 N 2.88 -3.09 -4.66 -0.19 3.02 0.31 -4.89 115.26 108.64 1f4h n ASN 297 Ca -0.10 -1.14 -0.38 0.00 -0.03 0.00 0.00 54.58 52.92 1f4h n ASN 297 Cb 0.52 -2.54 0.04 0.00 -0.61 0.00 0.00 39.78 37.19 1f4h n ASN 297 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1f4h n PRO 298 N -4.57 1.23 -2.87 3.52 -0.04 -1.26 -4.98 135.00 126.03 1f4h n PRO 298 Ca -0.17 0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 1f4h n PRO 298 Cb 0.62 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 1f4h n PRO 298 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1f4h s LYS 299 N -2.71 3.84 0.23 0.54 1.02 -1.26 -5.01 119.74 116.39 1f4h s LYS 299 Ca 0.73 0.51 -0.25 0.00 0.02 0.00 0.00 55.97 56.98 1f4h s LYS 299 Cb -0.44 -3.79 -0.09 0.00 -0.52 0.00 0.00 37.83 33.00 1f4h s LYS 299 CO 0.49 -0.86 0.84 -0.51 -0.92 0.00 0.00 175.35 174.39 1f4h s LEU 300 N 3.26 4.50 0.32 3.17 1.43 -1.26 -4.43 118.68 125.67 1f4h s LEU 300 Ca 0.35 1.72 -0.25 0.00 -1.03 0.00 0.00 54.13 54.92 1f4h s LEU 300 Cb -0.13 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 1f4h s LEU 300 CO 0.17 0.10 0.92 0.86 0.23 0.00 0.00 176.35 178.62 1f4h s TRP 301 N -1.34 3.64 0.17 0.29 -0.00 0.70 -3.77 118.94 118.63 1f4h s TRP 301 Ca 0.42 1.71 -0.23 0.00 -0.00 0.00 0.00 56.10 57.99 1f4h s TRP 301 Cb -0.21 -2.87 0.06 0.00 -0.00 0.00 0.00 33.47 30.44 1f4h s TRP 301 CO 0.26 0.19 0.71 -1.54 -0.00 0.00 0.00 176.95 176.57 1f4h s SER 302 N -1.70 -0.41 0.57 5.86 1.04 0.16 -4.60 113.70 114.62 1f4h s SER 302 Ca 0.51 -0.22 0.33 0.00 0.48 0.00 0.00 55.95 57.05 1f4h s SER 302 Cb -0.17 0.60 1.68 0.00 0.10 0.00 0.00 66.02 68.23 1f4h s SER 302 CO 0.22 -1.03 2.13 0.00 0.98 0.00 0.00 173.24 175.55 1f4h h ALA 303 N 2.00 1.16 0.12 5.32 0.00 -1.91 -2.98 119.26 122.96 1f4h h ALA 303 Ca -0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1f4h h ALA 303 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1f4h h ALA 303 CO 0.31 0.08 -0.06 0.93 0.00 0.00 0.00 179.25 180.51 1f4h h GLU 304 N 0.00 -0.16 -3.74 0.00 5.08 -1.93 -3.43 114.58 110.40 1f4h h GLU 304 Ca -0.00 0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 1f4h h GLU 304 Cb 0.28 0.04 -0.39 0.00 0.50 0.00 0.00 28.75 29.18 1f4h h GLU 304 CO 0.01 0.33 -0.77 0.42 -1.00 0.00 0.00 179.01 177.99 1f4h s ILE 305 N -3.53 0.67 -0.72 3.13 1.09 -1.16 -5.01 121.20 115.67 1f4h s ILE 305 Ca -0.14 -0.48 -0.06 0.00 -1.10 0.00 0.00 60.65 58.87 1f4h s ILE 305 Cb 0.00 -1.03 -0.04 0.00 -1.06 0.00 0.00 42.46 40.33 1f4h s ILE 305 CO 0.53 -0.05 2.96 -0.81 -0.10 0.00 0.00 174.94 177.47 1f4h n PRO 306 N 5.01 3.00 -1.61 2.79 -0.04 -1.14 0.37 135.00 143.39 1f4h n PRO 306 Ca -0.09 -2.20 -0.54 0.00 -0.04 0.00 0.00 63.50 60.63 1f4h n PRO 306 Cb 0.48 -2.32 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 1f4h n PRO 306 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1f4h n ASN 307 N 1.97 1.68 -3.90 3.54 3.02 -1.25 -4.87 115.26 115.45 1f4h n ASN 307 Ca 0.55 1.11 -0.12 0.00 -0.03 0.00 0.00 54.58 56.09 1f4h n ASN 307 Cb 0.53 -1.15 -0.14 0.00 -0.61 0.00 0.00 39.78 38.41 1f4h n ASN 307 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1f4h s LEU 308 N 1.16 2.02 0.28 3.41 1.43 -1.26 -3.88 118.68 121.85 1f4h s LEU 308 Ca 0.88 -0.06 0.10 0.00 -1.03 0.00 0.00 54.13 54.02 1f4h s LEU 308 Cb -1.01 -0.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 1f4h s LEU 308 CO 0.52 -0.01 -0.04 -0.31 0.23 0.00 0.00 176.35 176.73 1f4h s TYR 309 N -0.15 2.58 -0.08 0.29 1.51 0.20 -4.84 117.35 116.85 1f4h s TYR 309 Ca -0.01 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1f4h s TYR 309 Cb -0.01 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 1f4h s TYR 309 CO -0.00 0.61 -0.12 0.50 -1.11 0.00 0.00 175.55 175.44 1f4h s ARG 310 N -3.65 2.80 -0.10 -0.62 3.52 -0.77 0.21 118.95 120.34 1f4h s ARG 310 Ca 0.32 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1f4h s ARG 310 Cb -0.05 -2.51 -0.01 0.00 -1.56 0.00 0.00 34.95 30.82 1f4h s ARG 310 CO 0.19 0.54 -0.19 0.00 -0.81 0.00 0.00 175.30 175.02 1f4h s ALA 311 N -0.49 2.38 -0.15 6.12 0.00 -0.36 -1.27 121.76 127.99 1f4h s ALA 311 Ca 0.07 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1f4h s ALA 311 Cb -0.12 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 1f4h s ALA 311 CO 0.02 0.32 -0.13 0.08 0.00 0.00 0.00 175.76 176.05 1f4h s VAL 312 N 0.16 2.95 -0.30 0.00 1.01 -0.66 -2.21 120.40 121.34 1f4h s VAL 312 Ca -0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1f4h s VAL 312 Cb -0.16 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.02 1f4h s VAL 312 CO 0.06 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 174.99 1f4h s VAL 313 N 0.64 3.02 -0.04 2.92 1.01 0.98 -1.47 120.40 127.46 1f4h s VAL 313 Ca -0.07 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.50 1f4h s VAL 313 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1f4h s VAL 313 CO 0.03 -0.12 0.09 -1.61 0.00 0.00 0.00 175.10 173.48 1f4h s GLU 314 N 1.26 3.17 -0.28 2.72 2.02 0.19 -1.56 118.70 126.21 1f4h s GLU 314 Ca -0.05 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 54.58 1f4h s GLU 314 Cb -0.20 -2.94 0.07 0.00 0.10 0.00 0.00 34.13 31.17 1f4h s GLU 314 CO -0.01 0.69 -0.03 -1.17 0.02 0.00 0.00 175.26 174.75 1f4h s LEU 315 N -1.47 3.55 0.13 1.80 2.96 -0.21 -1.28 118.68 124.17 1f4h s LEU 315 Ca 0.20 -1.59 -0.01 0.00 -0.22 0.00 0.00 54.13 52.51 1f4h s LEU 315 Cb -0.12 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 1f4h s LEU 315 CO 0.10 -0.27 0.06 -1.38 -1.32 0.00 0.00 176.35 173.54 1f4h s HIS 316 N 1.15 0.88 0.74 5.38 -3.43 -1.11 0.68 115.29 119.58 1f4h s HIS 316 Ca -0.01 -1.23 -0.10 0.00 -0.80 0.00 0.00 55.06 52.92 1f4h s HIS 316 Cb -0.19 -0.49 0.06 0.00 -1.43 0.00 0.00 32.58 30.52 1f4h s HIS 316 CO -0.08 -0.51 1.10 0.95 -2.00 0.00 0.00 174.74 174.20 1f4h s THR 317 N -4.04 2.53 0.05 -5.38 -4.23 -0.10 -1.87 115.64 102.60 1f4h s THR 317 Ca 0.25 0.04 0.32 0.00 -1.18 0.00 0.00 61.69 61.12 1f4h s THR 317 Cb 0.07 -3.14 0.35 0.00 1.34 0.00 0.00 72.50 71.13 1f4h s THR 317 CO 0.02 -0.17 1.97 0.00 -0.54 0.00 0.00 174.62 175.90 1f4h h ALA 318 N -0.78 1.00 0.00 3.99 0.00 0.14 -2.61 119.26 120.99 1f4h h ALA 318 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1f4h h ALA 318 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1f4h h ALA 318 CO 0.64 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 1f4h n ASP 319 N -2.80 0.00 0.00 0.00 5.68 -1.26 -4.81 116.55 113.36 1f4h n ASP 319 Ca -0.00 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1f4h n ASP 319 Cb 0.21 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1f4h n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f4h n GLY 320 N 0.45 0.83 3.66 6.12 0.00 -0.98 -5.04 105.19 110.22 1f4h n GLY 320 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1f4h n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4h s THR 321 N -2.22 4.05 -0.03 2.61 2.01 -1.25 -4.87 115.64 115.93 1f4h s THR 321 Ca 0.00 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 1f4h s THR 321 Cb 0.00 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1f4h s THR 321 CO 0.00 -0.16 1.14 -0.22 -0.69 0.00 0.00 174.62 174.70 1f4h s LEU 322 N 3.83 4.30 -0.14 4.42 0.20 -1.26 -0.93 118.68 129.10 1f4h s LEU 322 Ca 0.61 1.80 -0.11 0.00 0.69 0.00 0.00 54.13 57.11 1f4h s LEU 322 Cb -0.24 -3.56 -0.25 0.00 -0.43 0.00 0.00 46.19 41.71 1f4h s LEU 322 CO 0.20 -0.50 0.34 0.40 -0.29 0.00 0.00 176.35 176.51 1f4h h ILE 323 N 4.89 0.72 -1.52 6.68 2.04 -0.09 -3.48 117.51 126.74 1f4h h ILE 323 Ca -0.36 -2.31 0.24 0.00 1.00 0.00 0.00 64.86 63.43 1f4h h ILE 323 Cb 1.18 2.44 -0.19 0.00 -0.74 0.00 0.00 36.82 39.51 1f4h h ILE 323 CO 0.85 0.74 0.79 -0.70 0.00 0.00 0.00 178.15 179.82 1f4h s GLU 324 N -2.51 0.34 -0.04 2.37 2.12 -0.84 -4.89 118.70 115.25 1f4h s GLU 324 Ca -0.24 -0.11 -0.04 0.00 0.36 0.00 0.00 54.97 54.94 1f4h s GLU 324 Cb 0.06 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.62 1f4h s GLU 324 CO 0.73 -0.15 0.12 0.00 -0.54 0.00 0.00 175.26 175.42 1f4h s ALA 325 N -2.37 -0.29 0.24 6.30 0.00 -0.07 -1.05 121.76 124.52 1f4h s ALA 325 Ca 0.09 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.39 1f4h s ALA 325 Cb -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1f4h s ALA 325 CO -0.05 -0.07 -0.08 -1.21 0.00 0.00 0.00 175.76 174.35 1f4h s GLU 326 N -0.10 1.41 0.26 0.00 0.41 -0.60 -1.20 118.70 118.87 1f4h s GLU 326 Ca -0.02 -1.68 -0.20 0.00 -0.41 0.00 0.00 54.97 52.66 1f4h s GLU 326 Cb -0.02 -1.01 0.02 0.00 -1.78 0.00 0.00 34.13 31.35 1f4h s GLU 326 CO 0.00 0.06 0.67 0.00 -0.49 0.00 0.00 175.26 175.51 1f4h s ALA 327 N -3.09 -1.15 0.17 5.21 0.00 -1.26 -0.01 121.76 121.62 1f4h s ALA 327 Ca 0.26 -0.26 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 1f4h s ALA 327 Cb 0.03 0.88 0.04 0.00 0.00 0.00 0.00 23.12 24.06 1f4h s ALA 327 CO 0.09 -0.97 0.50 0.00 0.00 0.00 0.00 175.76 175.37 1f4h s ASP 329 N -2.83 7.21 -0.04 0.00 1.01 -1.26 -1.22 116.67 119.53 1f4h s ASP 329 Ca 0.06 1.44 0.04 0.00 0.71 0.00 0.00 52.55 54.80 1f4h s ASP 329 Cb -0.00 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1f4h s ASP 329 CO -0.07 0.23 -0.15 -0.69 0.21 0.00 0.00 175.17 174.70 1f4h s VAL 330 N -1.15 3.02 -0.10 -1.27 1.01 0.57 -4.73 120.40 117.74 1f4h s VAL 330 Ca 0.33 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1f4h s VAL 330 Cb -0.21 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1f4h s VAL 330 CO 0.22 0.57 -0.10 -0.83 0.00 0.00 0.00 175.10 174.97 1f4h s GLY 331 N -0.78 0.85 -0.54 4.51 0.00 -1.26 0.59 107.32 110.68 1f4h s GLY 331 Ca 0.12 -0.54 -0.24 0.00 0.00 0.00 0.00 44.72 44.06 1f4h s GLY 331 CO 0.01 0.53 0.94 -1.36 0.00 0.00 0.00 173.10 173.23 1f4h s PHE 332 N 1.31 2.81 0.04 1.90 0.40 -1.26 -4.76 117.98 118.42 1f4h s PHE 332 Ca -0.02 0.06 -0.22 0.00 -0.60 0.00 0.00 56.93 56.15 1f4h s PHE 332 Cb -0.14 -4.07 0.05 0.00 0.51 0.00 0.00 43.02 39.38 1f4h s PHE 332 CO -0.04 -1.32 0.52 -0.98 0.70 0.00 0.00 175.22 174.10 1f4h s ARG 333 N 3.94 1.03 -0.08 0.44 1.70 -1.26 -0.22 118.95 124.50 1f4h s ARG 333 Ca 0.32 -0.23 0.04 0.00 -0.47 0.00 0.00 55.73 55.39 1f4h s ARG 333 Cb -0.12 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1f4h s ARG 333 CO 0.21 -0.37 -0.20 -2.00 -1.08 0.00 0.00 175.30 171.86 1f4h s GLU 334 N -2.40 2.54 -0.16 3.89 2.12 -1.26 -4.93 118.70 118.50 1f4h s GLU 334 Ca -0.05 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.57 1f4h s GLU 334 Cb -0.01 -1.97 0.01 0.00 0.26 0.00 0.00 34.13 32.41 1f4h s GLU 334 CO -0.01 0.14 -0.18 0.08 -0.54 0.00 0.00 175.26 174.75 1f4h s VAL 335 N 0.41 2.35 0.05 3.70 1.01 -1.26 0.22 120.40 126.88 1f4h s VAL 335 Ca -0.16 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.77 1f4h s VAL 335 Cb -0.17 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1f4h s VAL 335 CO 0.07 0.53 0.39 -0.13 0.00 0.00 0.00 175.10 175.96 1f4h s ARG 336 N 0.92 0.91 -0.39 2.72 0.52 -0.13 -4.61 118.95 118.89 1f4h s ARG 336 Ca -0.04 -0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 54.63 1f4h s ARG 336 Cb -0.15 0.40 0.02 0.00 0.52 0.00 0.00 34.95 35.74 1f4h s ARG 336 CO -0.03 -0.31 0.26 0.42 0.02 0.00 0.00 175.30 175.66 1f4h s ILE 337 N -2.55 5.05 -0.02 1.52 1.01 -1.26 0.79 121.20 125.74 1f4h s ILE 337 Ca -0.05 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1f4h s ILE 337 Cb -0.01 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1f4h s ILE 337 CO -0.03 -0.26 -0.05 -1.83 0.00 0.00 0.00 174.94 172.77 1f4h s GLU 338 N 1.64 0.55 -1.36 2.79 -1.05 -0.45 -4.81 118.70 116.02 1f4h s GLU 338 Ca 0.04 -0.17 -0.02 0.00 -0.15 0.00 0.00 54.97 54.67 1f4h s GLU 338 Cb -0.19 -0.55 0.01 0.00 -0.44 0.00 0.00 34.13 32.96 1f4h s GLU 338 CO 0.09 0.06 0.17 -1.71 0.95 0.00 0.00 175.26 174.82 1f4h n ASN 339 N 3.27 -4.75 0.00 0.83 5.15 -1.26 -1.71 115.26 116.79 1f4h n ASN 339 Ca -0.17 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1f4h n ASN 339 Cb 0.56 -3.96 0.00 0.00 -0.53 0.00 0.00 39.78 35.85 1f4h n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f4h n GLY 340 N -1.03 0.80 3.44 8.20 0.00 -1.26 -5.05 105.19 110.30 1f4h n GLY 340 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1f4h n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f4h s LEU 341 N 0.00 2.52 0.02 0.99 1.43 -0.70 -2.39 118.68 120.56 1f4h s LEU 341 Ca 0.00 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.14 1f4h s LEU 341 Cb 0.00 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 1f4h s LEU 341 CO 0.00 0.17 0.88 -0.22 0.23 0.00 0.00 176.35 177.41 1f4h s LEU 342 N -2.21 4.40 0.04 1.79 2.96 -1.26 -1.34 118.68 123.06 1f4h s LEU 342 Ca 0.17 1.56 0.04 0.00 -0.22 0.00 0.00 54.13 55.68 1f4h s LEU 342 Cb -0.10 -3.42 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 1f4h s LEU 342 CO 0.09 -0.14 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.09 1f4h s LEU 343 N 0.56 2.17 -0.09 -0.68 1.43 0.24 -2.83 118.68 119.48 1f4h s LEU 343 Ca 0.46 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1f4h s LEU 343 Cb -0.21 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.50 1f4h s LEU 343 CO 0.26 0.00 -0.15 -0.22 0.23 0.00 0.00 176.35 176.47 1f4h s LEU 344 N -1.14 1.74 -1.66 1.79 2.96 0.17 -0.95 118.68 121.58 1f4h s LEU 344 Ca 0.00 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.40 1f4h s LEU 344 Cb -0.08 -1.02 0.11 0.00 0.50 0.00 0.00 46.19 45.70 1f4h s LEU 344 CO 0.01 0.05 0.47 0.59 -1.32 0.00 0.00 176.35 176.15 1f4h n ASN 345 N 3.93 -1.28 0.00 3.68 3.02 0.13 0.14 115.26 124.89 1f4h n ASN 345 Ca -0.21 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1f4h n ASN 345 Cb 0.52 -2.19 0.00 0.00 -0.61 0.00 0.00 39.78 37.50 1f4h n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f4h n GLY 346 N -1.71 0.17 3.46 7.41 0.00 -1.26 -4.99 105.19 108.27 1f4h n GLY 346 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1f4h n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f4h s LYS 347 N -1.30 1.95 -0.03 1.61 -0.14 0.12 -5.04 119.74 116.92 1f4h s LYS 347 Ca 0.00 -1.06 -0.15 0.00 -1.36 0.00 0.00 55.97 53.40 1f4h s LYS 347 Cb 0.00 -2.15 -0.05 0.00 -1.68 0.00 0.00 37.83 33.94 1f4h s LYS 347 CO 0.00 0.52 0.41 -1.25 -0.76 0.00 0.00 175.35 174.26 1f4h s PRO 348 N -1.69 4.00 0.81 -1.68 0.04 -1.26 0.46 135.00 135.69 1f4h s PRO 348 Ca 0.16 0.39 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 1f4h s PRO 348 Cb -0.10 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.25 1f4h s PRO 348 CO 0.07 0.58 1.11 -0.51 0.04 0.00 0.00 177.00 178.29 1f4h s LEU 349 N -0.71 2.49 -0.28 -3.56 1.43 -1.13 -4.93 118.68 112.00 1f4h s LEU 349 Ca 0.23 1.18 -0.04 0.00 -1.03 0.00 0.00 54.13 54.47 1f4h s LEU 349 Cb -0.16 -3.74 0.10 0.00 0.03 0.00 0.00 46.19 42.42 1f4h s LEU 349 CO 0.12 -2.02 0.14 -0.22 0.23 0.00 0.00 176.35 174.60 1f4h s LEU 350 N -5.77 0.46 -0.11 1.79 2.96 -1.26 -4.76 118.68 111.98 1f4h s LEU 350 Ca 0.61 -1.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.03 1f4h s LEU 350 Cb -0.14 -0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 1f4h s LEU 350 CO 0.53 -0.43 1.06 -0.63 -1.32 0.00 0.00 176.35 175.57 1f4h s ILE 351 N 2.13 4.64 -0.67 6.68 -1.09 -0.56 -4.94 121.20 127.39 1f4h s ILE 351 Ca 0.09 1.92 0.01 0.00 -2.23 0.00 0.00 60.65 60.44 1f4h s ILE 351 Cb -0.16 -4.24 0.17 0.00 -1.58 0.00 0.00 42.46 36.65 1f4h s ILE 351 CO -0.35 -0.03 0.47 -0.13 -1.23 0.00 0.00 174.94 173.67 1f4h s ARG 352 N 2.26 2.51 0.34 2.79 0.52 -1.26 -2.66 118.95 123.45 1f4h s ARG 352 Ca 0.50 -2.92 0.05 0.00 -0.52 0.00 0.00 55.73 52.84 1f4h s ARG 352 Cb -0.19 -3.58 -0.07 0.00 0.52 0.00 0.00 34.95 31.63 1f4h s ARG 352 CO 0.17 -1.20 0.02 0.20 0.02 0.00 0.00 175.30 174.51 1f4h s GLY 353 N -0.32 2.13 0.05 -3.53 0.00 -0.13 0.74 107.32 106.26 1f4h s GLY 353 Ca 0.21 -2.09 0.01 0.00 0.00 0.00 0.00 44.72 42.85 1f4h s GLY 353 CO -0.07 -1.90 -0.06 0.54 0.00 0.00 0.00 173.10 171.61 1f4h s VAL 354 N -3.07 0.46 -0.14 1.40 0.11 0.14 -1.41 120.40 117.90 1f4h s VAL 354 Ca 0.35 -1.39 -0.19 0.00 -2.93 0.00 0.00 61.98 57.82 1f4h s VAL 354 Cb 0.08 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1f4h s VAL 354 CO 0.15 -0.63 0.51 0.20 -3.33 0.00 0.00 175.10 172.01 1f4h s ASN 355 N -2.15 6.69 -0.17 3.54 0.01 0.66 -0.39 114.94 123.13 1f4h s ASN 355 Ca -0.03 0.82 -0.03 0.00 -0.71 0.00 0.00 52.86 52.91 1f4h s ASN 355 Cb -0.03 -2.30 0.05 0.00 0.41 0.00 0.00 41.25 39.38 1f4h s ASN 355 CO -0.03 -0.06 0.03 -0.60 -1.51 0.00 0.00 177.10 174.93 1f4h s ARG 356 N 0.93 0.58 0.52 -0.60 3.52 -1.11 -0.47 118.95 122.31 1f4h s ARG 356 Ca 0.27 -0.27 -0.07 0.00 -0.13 0.00 0.00 55.73 55.53 1f4h s ARG 356 Cb -0.15 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 1f4h s ARG 356 CO 0.11 -0.57 0.85 -1.01 -0.81 0.00 0.00 175.30 173.86 1f4h s HIS 357 N 1.91 3.58 -0.52 5.12 3.76 -1.26 -3.83 115.29 124.05 1f4h s HIS 357 Ca 0.01 0.93 -0.25 0.00 -0.15 0.00 0.00 55.06 55.60 1f4h s HIS 357 Cb -0.16 -2.41 0.04 0.00 1.11 0.00 0.00 32.58 31.15 1f4h s HIS 357 CO -0.07 -0.39 0.94 -1.21 -0.85 0.00 0.00 174.74 173.15 1f4h s GLU 358 N -4.86 3.39 -0.17 1.40 2.02 -1.26 -4.96 118.70 114.26 1f4h s GLU 358 Ca 0.49 -0.14 -0.10 0.00 0.02 0.00 0.00 54.97 55.25 1f4h s GLU 358 Cb -0.10 -4.01 0.06 0.00 0.10 0.00 0.00 34.13 30.17 1f4h s GLU 358 CO 0.47 -1.41 0.42 -1.58 0.02 0.00 0.00 175.26 173.18 1f4h s HIS 359 N 3.90 -0.59 -0.09 1.61 2.46 -1.26 -4.58 115.29 116.74 1f4h s HIS 359 Ca 0.32 1.28 0.03 0.00 0.47 0.00 0.00 55.06 57.16 1f4h s HIS 359 Cb -0.12 0.26 0.01 0.00 -0.13 0.00 0.00 32.58 32.60 1f4h s HIS 359 CO 0.21 -0.33 -0.17 -1.58 -2.47 0.00 0.00 174.74 170.40 1f4h s HIS 360 N 1.20 1.99 0.37 3.88 2.46 0.70 -5.02 115.29 120.88 1f4h s HIS 360 Ca -0.08 -0.82 0.20 0.00 0.47 0.00 0.00 55.06 54.83 1f4h s HIS 360 Cb -0.07 -1.39 1.07 0.00 -0.13 0.00 0.00 32.58 32.05 1f4h s HIS 360 CO -0.11 -0.38 1.94 -1.00 -2.47 0.00 0.00 174.74 172.73 1f4h h PRO 361 N 6.98 0.00 0.00 2.88 0.13 -1.80 -0.58 132.00 139.61 1f4h h PRO 361 Ca -0.27 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.42 1f4h h PRO 361 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1f4h h PRO 361 CO 0.48 0.23 -2.54 1.28 -0.23 0.00 0.00 178.00 177.22 1f4h n LEU 362 N -3.86 2.27 -0.24 1.56 4.77 -1.26 -1.67 117.00 118.57 1f4h n LEU 362 Ca -0.02 0.19 0.14 0.00 -0.03 0.00 0.00 56.01 56.29 1f4h n LEU 362 Cb 0.32 -0.85 0.50 0.00 -2.33 0.00 0.00 43.42 41.06 1f4h n LEU 362 CO 0.34 0.69 0.78 1.41 -1.33 0.00 0.00 177.39 179.28 1f4h n HIS 363 N -3.95 0.00 -1.01 -1.77 8.25 -1.24 -4.95 115.22 110.55 1f4h n HIS 363 Ca -0.52 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 1f4h n HIS 363 Cb 0.92 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1f4h n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f4h n GLY 364 N 1.28 1.08 2.07 -1.41 0.00 -0.22 -3.35 105.19 104.63 1f4h n GLY 364 Ca 0.15 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1f4h n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f4h n GLN 365 N 12.50 2.15 -3.37 1.61 6.02 -1.26 -0.21 117.38 134.81 1f4h n GLN 365 Ca 0.00 -2.58 -0.41 0.00 -0.01 0.00 0.00 57.00 54.00 1f4h n GLN 365 Cb 0.00 -2.01 -0.09 0.00 1.02 0.00 0.00 30.24 29.16 1f4h n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1f4h s VAL 366 N -3.12 5.14 0.16 5.09 1.01 -1.21 -4.88 120.40 122.58 1f4h s VAL 366 Ca 0.49 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 1f4h s VAL 366 Cb 0.41 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 1f4h s VAL 366 CO 0.06 -0.08 0.67 -0.04 0.00 0.00 0.00 175.10 175.71 1f4h s MET 367 N 2.09 4.28 0.09 2.72 -1.94 -1.26 -4.82 119.30 120.46 1f4h s MET 367 Ca 0.13 0.86 0.07 0.00 -1.71 0.00 0.00 55.69 55.04 1f4h s MET 367 Cb -0.16 -3.08 -0.03 0.00 2.01 0.00 0.00 34.83 33.56 1f4h s MET 367 CO 0.12 0.52 -0.18 0.16 -0.01 0.00 0.00 175.02 175.63 1f4h s ASP 368 N -1.38 2.14 0.18 3.03 1.47 -1.26 -4.98 116.67 115.87 1f4h s ASP 368 Ca 0.37 -0.66 -0.16 0.00 1.18 0.00 0.00 52.55 53.28 1f4h s ASP 368 Cb -0.19 -0.10 0.13 0.00 -0.34 0.00 0.00 42.92 42.43 1f4h s ASP 368 CO 0.21 -0.00 1.66 -0.08 0.68 0.00 0.00 175.17 177.64 1f4h h GLU 369 N 4.17 0.00 0.09 2.11 4.81 -2.01 -2.97 114.58 120.78 1f4h h GLU 369 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1f4h h GLU 369 Cb 1.19 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1f4h h GLU 369 CO 0.40 0.00 -0.25 1.96 -0.73 0.00 0.00 179.01 180.39 1f4h h GLN 370 N 0.00 -0.37 -0.76 1.92 1.08 -2.00 -2.44 115.11 112.54 1f4h h GLN 370 Ca 0.22 0.03 0.17 0.00 -1.45 0.00 0.00 58.65 57.62 1f4h h GLN 370 Cb 0.34 0.08 -0.14 0.00 -0.05 0.00 0.00 27.48 27.71 1f4h h GLN 370 CO -0.48 -0.25 -0.12 2.41 -0.95 0.00 0.00 178.83 179.45 1f4h n THR 371 N -3.88 -0.32 0.21 -0.54 -1.04 -1.16 -0.84 114.28 106.71 1f4h n THR 371 Ca -0.04 1.71 -0.15 0.00 -2.04 0.00 0.00 64.05 63.53 1f4h n THR 371 Cb 0.20 -2.41 -0.08 0.00 -1.82 0.00 0.00 70.33 66.23 1f4h n THR 371 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1f4h h MET 372 N 0.00 -0.52 -0.84 -2.82 2.86 -1.29 -2.16 114.93 110.15 1f4h h MET 372 Ca 0.40 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 58.21 1f4h h MET 372 Cb 0.68 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.40 1f4h h MET 372 CO -0.76 -0.35 0.55 0.28 1.06 0.00 0.00 176.91 177.69 1f4h h VAL 373 N -0.54 0.84 0.98 -2.22 2.07 -0.77 0.73 116.25 117.33 1f4h h VAL 373 Ca -0.04 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1f4h h VAL 373 Cb 0.45 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1f4h h VAL 373 CO 0.04 0.12 -0.47 -0.61 0.02 0.00 0.00 177.57 176.66 1f4h h GLN 374 N 0.63 -1.27 -0.60 1.57 4.15 -1.01 -1.88 115.11 116.71 1f4h h GLN 374 Ca 0.42 0.09 0.08 0.00 0.77 0.00 0.00 58.65 60.00 1f4h h GLN 374 Cb 0.71 0.29 -0.10 0.00 0.21 0.00 0.00 27.48 28.59 1f4h h GLN 374 CO -0.18 -0.84 -0.49 -0.44 -1.93 0.00 0.00 178.83 174.95 1f4h h ASP 375 N -1.34 -1.69 0.00 -0.69 3.32 -0.38 0.15 116.42 115.80 1f4h h ASP 375 Ca -0.13 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1f4h h ASP 375 Cb 1.01 0.74 0.00 0.00 0.22 0.00 0.00 39.33 41.30 1f4h h ASP 375 CO 0.22 -0.34 0.00 -0.38 -1.72 0.00 0.00 179.24 177.02 1f4h n ILE 376 N -5.38 0.00 -0.22 0.35 5.41 0.24 -0.42 119.36 119.34 1f4h n ILE 376 Ca 0.00 1.47 0.03 0.00 1.00 0.00 0.00 62.75 65.25 1f4h n ILE 376 Cb 0.34 -2.04 0.13 0.00 -0.71 0.00 0.00 39.64 37.36 1f4h n ILE 376 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1f4h h LEU 377 N 0.00 -0.22 -0.84 1.39 3.38 -0.87 0.12 115.31 118.27 1f4h h LEU 377 Ca 0.00 0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.28 1f4h h LEU 377 Cb 0.00 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 1f4h h LEU 377 CO 0.00 -0.11 0.41 -0.07 0.09 0.00 0.00 178.44 178.76 1f4h h LEU 378 N 0.15 0.46 -0.19 1.67 3.38 0.04 0.25 115.31 121.07 1f4h h LEU 378 Ca 0.36 0.10 -0.15 0.00 0.09 0.00 0.00 57.88 58.28 1f4h h LEU 378 Cb 0.59 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1f4h h LEU 378 CO -0.54 0.17 -0.48 0.24 0.09 0.00 0.00 178.44 177.92 1f4h h MET 379 N 0.56 0.65 0.00 1.13 2.86 0.15 -3.09 114.93 117.19 1f4h h MET 379 Ca 0.47 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1f4h h MET 379 Cb 0.71 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1f4h h MET 379 CO -0.39 1.07 -0.08 0.87 1.06 0.00 0.00 176.91 179.44 1f4h h LYS 380 N 0.33 0.00 0.00 1.72 1.57 0.11 -2.36 116.57 117.94 1f4h h LYS 380 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1f4h h LYS 380 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1f4h h LYS 380 CO 0.10 0.08 -0.45 1.96 -0.57 0.00 0.00 179.45 180.57 1f4h h GLN 381 N 0.00 0.00 -0.59 3.15 4.20 -0.57 -3.25 115.11 118.06 1f4h h GLN 381 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1f4h h GLN 381 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1f4h h GLN 381 CO 0.01 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.26 1f4h n ASN 382 N -2.69 4.67 -0.72 1.46 3.02 -0.92 -4.93 115.26 115.16 1f4h n ASN 382 Ca 0.03 -2.52 -0.06 0.00 -0.03 0.00 0.00 54.58 52.00 1f4h n ASN 382 Cb 0.51 -0.56 -0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1f4h n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f4h n ASN 383 N 0.89 -2.50 -4.86 6.41 3.02 -1.21 -3.44 115.26 113.57 1f4h n ASN 383 Ca 0.25 -0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.43 1f4h n ASN 383 Cb 0.89 -1.84 -0.06 0.00 -0.61 0.00 0.00 39.78 38.17 1f4h n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1f4h s PHE 384 N -2.31 3.64 0.00 3.10 0.40 -1.05 -4.79 117.98 116.96 1f4h s PHE 384 Ca 0.00 0.80 0.00 0.00 -0.60 0.00 0.00 56.93 57.13 1f4h s PHE 384 Cb 0.00 -2.15 0.00 0.00 0.51 0.00 0.00 43.02 41.38 1f4h s PHE 384 CO 0.00 0.61 0.06 0.27 0.70 0.00 0.00 175.22 176.86 1f4h n ASN 385 N 1.41 0.13 -3.87 1.36 0.23 0.23 -4.53 115.26 110.21 1f4h n ASN 385 Ca -0.12 -0.54 -0.09 0.00 -0.53 0.00 0.00 54.58 53.30 1f4h n ASN 385 Cb 0.53 0.81 -0.07 0.00 -2.08 0.00 0.00 39.78 38.96 1f4h n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1f4h s ALA 386 N -0.81 -0.20 -0.00 -2.53 0.00 -0.77 -1.26 121.76 116.20 1f4h s ALA 386 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1f4h s ALA 386 Cb 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.65 1f4h s ALA 386 CO 0.00 -0.53 -0.03 0.54 0.00 0.00 0.00 175.76 175.74 1f4h s VAL 387 N -3.87 0.23 -0.15 0.00 0.11 -1.09 0.28 120.40 115.92 1f4h s VAL 387 Ca 0.06 -0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1f4h s VAL 387 Cb 0.05 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 1f4h s VAL 387 CO -0.10 0.07 -0.06 -0.60 -3.33 0.00 0.00 175.10 171.08 1f4h s ARG 388 N -0.06 3.58 -0.64 1.54 3.52 0.47 -2.55 118.95 124.81 1f4h s ARG 388 Ca 0.01 -0.57 -0.20 0.00 -0.13 0.00 0.00 55.73 54.84 1f4h s ARG 388 Cb -0.01 -2.84 -0.17 0.00 -1.56 0.00 0.00 34.95 30.37 1f4h s ARG 388 CO -0.00 0.22 1.86 0.00 -0.81 0.00 0.00 175.30 176.57 1f4h s SER 390 N 5.10 6.96 -0.33 0.00 1.04 -1.25 -1.27 113.70 123.95 1f4h s SER 390 Ca 0.54 1.83 0.13 0.00 0.48 0.00 0.00 55.95 58.93 1f4h s SER 390 Cb 0.13 -2.55 0.46 0.00 0.10 0.00 0.00 66.02 64.17 1f4h s SER 390 CO 0.13 -0.69 1.09 1.41 0.98 0.00 0.00 173.24 176.15 1f4h n HIS 391 N 5.90 2.18 -3.82 5.02 -0.00 -1.26 -3.99 115.22 119.24 1f4h n HIS 391 Ca 0.13 -2.59 -0.03 0.00 -0.00 0.00 0.00 57.72 55.22 1f4h n HIS 391 Cb 0.45 -0.25 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 1f4h n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1f4h s TYR 392 N -3.51 -0.01 0.19 4.41 -0.85 -0.40 -3.97 117.35 113.22 1f4h s TYR 392 Ca 0.38 -0.35 -0.30 0.00 -0.52 0.00 0.00 57.07 56.28 1f4h s TYR 392 Cb 0.40 0.68 -0.08 0.00 0.38 0.00 0.00 41.96 43.34 1f4h s TYR 392 CO -0.04 -0.89 1.16 -2.14 -1.52 0.00 0.00 175.55 172.12 1f4h s PRO 393 N -2.63 4.54 0.74 -3.49 0.02 -0.99 -4.46 135.00 128.71 1f4h s PRO 393 Ca 0.17 1.82 -0.09 0.00 0.02 0.00 0.00 61.00 62.93 1f4h s PRO 393 Cb -0.02 -3.24 0.07 0.00 0.02 0.00 0.00 34.50 31.32 1f4h s PRO 393 CO 0.04 -0.01 1.07 -0.80 -0.33 0.00 0.00 177.00 176.97 1f4h s ASN 394 N -0.06 4.73 -0.02 2.53 0.02 -1.26 -4.78 114.94 116.10 1f4h s ASN 394 Ca 0.51 0.58 -0.35 0.00 -1.02 0.00 0.00 52.86 52.58 1f4h s ASN 394 Cb -0.32 -1.19 -0.13 0.00 0.02 0.00 0.00 41.25 39.64 1f4h s ASN 394 CO 0.37 -1.69 1.76 1.57 0.02 0.00 0.00 177.10 179.12 1f4h n HIS 395 N -3.05 2.26 -0.16 2.20 -0.00 -1.26 -4.81 115.22 110.39 1f4h n HIS 395 Ca 0.08 0.14 -0.01 0.00 -0.00 0.00 0.00 57.72 57.93 1f4h n HIS 395 Cb 0.61 -2.60 0.01 0.00 -0.00 0.00 0.00 29.99 28.00 1f4h n HIS 395 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1f4h n PRO 396 N 5.39 -0.11 -0.17 1.57 -0.02 -1.26 0.28 135.00 140.67 1f4h n PRO 396 Ca 0.21 0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 62.31 1f4h n PRO 396 Cb 0.28 -0.94 0.08 0.00 -0.02 0.00 0.00 33.50 32.89 1f4h n PRO 396 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1f4h h LEU 397 N 0.00 -0.08 -0.48 2.45 5.85 -2.02 -2.21 115.31 118.82 1f4h h LEU 397 Ca 0.13 0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.06 1f4h h LEU 397 Cb 0.23 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 1f4h h LEU 397 CO -0.41 -0.02 -0.11 1.87 -0.34 0.00 0.00 178.44 179.43 1f4h n TRP 398 N -5.16 0.18 0.00 1.25 -0.00 0.14 -0.18 117.44 113.67 1f4h n TRP 398 Ca 0.07 0.58 -0.12 0.00 -0.00 0.00 0.00 57.50 58.03 1f4h n TRP 398 Cb 0.28 -0.78 -0.07 0.00 -0.00 0.00 0.00 31.31 30.74 1f4h n TRP 398 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 1f4h h TYR 399 N 0.00 0.08 -0.25 5.87 -1.99 -1.55 -0.78 116.97 118.36 1f4h h TYR 399 Ca 0.23 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 61.00 1f4h h TYR 399 Cb 0.37 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 39.00 1f4h h TYR 399 CO -0.36 0.17 -0.54 1.15 -0.00 0.00 0.00 178.16 178.58 1f4h h THR 400 N -0.03 0.01 -0.53 -2.88 2.02 -0.70 0.21 112.91 111.01 1f4h h THR 400 Ca 0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.29 1f4h h THR 400 Cb 0.12 0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 66.44 1f4h h THR 400 CO -0.00 0.00 -0.41 -0.07 0.37 0.00 0.00 175.52 175.41 1f4h h LEU 401 N -0.51 -1.41 -0.83 2.58 3.38 -1.06 0.36 115.31 117.83 1f4h h LEU 401 Ca 0.05 0.23 0.20 0.00 0.09 0.00 0.00 57.88 58.46 1f4h h LEU 401 Cb 0.65 0.64 -0.13 0.00 0.09 0.00 0.00 40.66 41.91 1f4h h LEU 401 CO -0.50 -0.34 0.23 0.00 0.09 0.00 0.00 178.44 177.92 1f4h h ASP 403 N 0.26 0.60 0.15 0.00 3.32 0.12 0.65 116.42 121.53 1f4h h ASP 403 Ca 0.50 0.03 -0.23 0.00 0.02 0.00 0.00 57.03 57.35 1f4h h ASP 403 Cb 0.95 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 40.43 1f4h h ASP 403 CO -0.59 0.38 -1.05 0.03 -1.72 0.00 0.00 179.24 176.29 1f4h h ARG 404 N 0.73 0.32 0.00 3.56 3.08 0.12 -3.36 114.38 118.84 1f4h h ARG 404 Ca 0.32 -0.55 -0.21 0.00 0.07 0.00 0.00 59.98 59.61 1f4h h ARG 404 Cb 0.20 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1f4h h ARG 404 CO -0.19 1.27 -1.11 1.88 -1.07 0.00 0.00 179.97 180.75 1f4h h TYR 405 N -0.28 0.00 -0.01 3.04 -1.99 -0.12 -3.45 116.97 114.16 1f4h h TYR 405 Ca -0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.53 1f4h h TYR 405 Cb 1.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.48 1f4h h TYR 405 CO 0.17 0.89 0.00 0.41 -0.00 0.00 0.00 178.16 179.63 1f4h n GLY 406 N 1.38 0.16 3.10 3.88 0.00 0.22 -4.85 105.19 109.08 1f4h n GLY 406 Ca -0.04 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1f4h n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f4h s LEU 407 N -0.00 1.19 0.01 0.99 1.43 -0.67 -4.73 118.68 116.89 1f4h s LEU 407 Ca 0.00 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.19 1f4h s LEU 407 Cb 0.00 0.75 -0.03 0.00 0.03 0.00 0.00 46.19 46.94 1f4h s LEU 407 CO 0.00 -0.10 1.04 -0.31 0.23 0.00 0.00 176.35 177.21 1f4h s TYR 408 N -0.01 3.58 -0.05 0.29 4.12 -0.39 -4.68 117.35 120.21 1f4h s TYR 408 Ca -0.01 1.58 0.05 0.00 0.02 0.00 0.00 57.07 58.71 1f4h s TYR 408 Cb -0.02 -3.21 -0.02 0.00 -1.52 0.00 0.00 41.96 37.20 1f4h s TYR 408 CO 0.00 -0.37 -0.22 0.08 0.02 0.00 0.00 175.55 175.07 1f4h s VAL 409 N 1.13 2.37 -0.49 0.71 1.01 0.26 -2.66 120.40 122.74 1f4h s VAL 409 Ca 0.53 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 1f4h s VAL 409 Cb -0.23 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.36 1f4h s VAL 409 CO 0.27 0.57 0.43 -0.69 0.00 0.00 0.00 175.10 175.69 1f4h s VAL 410 N -0.37 5.22 0.17 2.92 1.01 -1.06 -0.49 120.40 127.81 1f4h s VAL 410 Ca 0.03 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 1f4h s VAL 410 Cb -0.12 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1f4h s VAL 410 CO 0.02 -0.66 1.14 -0.62 0.00 0.00 0.00 175.10 174.98 1f4h s ASP 411 N 2.86 7.19 -0.02 3.32 2.15 -1.06 -1.65 116.67 129.46 1f4h s ASP 411 Ca 0.04 2.14 0.02 0.00 0.43 0.00 0.00 52.55 55.18 1f4h s ASP 411 Cb -0.26 -2.60 0.01 0.00 -0.30 0.00 0.00 42.92 39.77 1f4h s ASP 411 CO 0.06 -0.29 -0.05 -0.70 -0.17 0.00 0.00 175.17 174.02 1f4h s GLU 412 N -0.25 0.61 0.52 4.34 2.12 -1.26 -1.30 118.70 123.48 1f4h s GLU 412 Ca 0.51 -0.16 -0.21 0.00 0.36 0.00 0.00 54.97 55.48 1f4h s GLU 412 Cb -0.31 -0.62 -0.06 0.00 0.26 0.00 0.00 34.13 33.40 1f4h s GLU 412 CO 0.35 0.03 1.14 0.00 -0.54 0.00 0.00 175.26 176.25 1f4h s ALA 413 N 0.34 2.79 -1.38 6.30 0.00 -1.13 -2.36 121.76 126.31 1f4h s ALA 413 Ca -0.04 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1f4h s ALA 413 Cb -0.08 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1f4h s ALA 413 CO -0.00 -0.74 2.24 -1.71 0.00 0.00 0.00 175.76 175.55 1f4h n ASN 414 N -1.03 4.05 -3.70 0.00 5.15 -1.25 -4.20 115.26 114.28 1f4h n ASN 414 Ca 0.10 -2.80 -0.27 0.00 -0.60 0.00 0.00 54.58 51.01 1f4h n ASN 414 Cb 0.50 -1.58 -0.17 0.00 -0.53 0.00 0.00 39.78 38.00 1f4h n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1f4h s ILE 415 N 3.35 0.35 -0.18 -1.44 1.01 -1.26 -4.77 121.20 118.26 1f4h s ILE 415 Ca 0.50 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 1f4h s ILE 415 Cb 0.14 -0.91 0.09 0.00 0.01 0.00 0.00 42.46 41.78 1f4h s ILE 415 CO -0.06 -0.25 0.38 -0.70 0.00 0.00 0.00 174.94 174.31 1f4h s GLU 416 N 1.94 0.28 -0.28 2.79 2.12 0.20 -1.31 118.70 124.44 1f4h s GLU 416 Ca 0.00 0.96 0.10 0.00 0.36 0.00 0.00 54.97 56.39 1f4h s GLU 416 Cb -0.17 0.23 0.47 0.00 0.26 0.00 0.00 34.13 34.91 1f4h s GLU 416 CO -0.09 -0.27 1.18 0.25 -0.54 0.00 0.00 175.26 175.79 1f4h n THR 417 N 5.38 2.28 -0.33 -1.70 -2.24 -1.24 -0.20 114.28 116.22 1f4h n THR 417 Ca -0.08 -3.91 0.27 0.00 -2.27 0.00 0.00 64.05 58.05 1f4h n THR 417 Cb 0.49 -0.67 0.51 0.00 -2.10 0.00 0.00 70.33 68.57 1f4h n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1f4h h HIS 418 N 2.16 0.84 0.00 4.78 6.17 -1.70 -1.78 115.15 125.62 1f4h h HIS 418 Ca 0.26 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.38 1f4h h HIS 418 Cb 1.47 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 31.20 1f4h h HIS 418 CO 0.78 -0.31 0.00 0.41 0.71 0.00 0.00 177.93 179.52 1f4h n GLY 419 N -1.29 -0.85 3.81 5.26 0.00 -1.25 -4.79 105.19 106.08 1f4h n GLY 419 Ca 0.34 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1f4h n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f4h s MET 420 N -2.98 3.42 -0.25 1.61 -1.94 -0.67 -4.77 119.30 113.71 1f4h s MET 420 Ca 0.05 1.16 0.01 0.00 -1.71 0.00 0.00 55.69 55.20 1f4h s MET 420 Cb 0.07 -2.05 0.06 0.00 2.01 0.00 0.00 34.83 34.92 1f4h s MET 420 CO 0.19 -0.73 -0.05 0.08 -0.01 0.00 0.00 175.02 174.51 1f4h s VAL 421 N -2.49 1.64 0.78 -6.03 1.01 -1.26 -2.41 120.40 111.64 1f4h s VAL 421 Ca 0.63 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 1f4h s VAL 421 Cb -0.15 -1.92 0.18 0.00 0.00 0.00 0.00 36.38 34.49 1f4h s VAL 421 CO 0.36 -0.15 1.04 -0.81 0.00 0.00 0.00 175.10 175.54 1f4h n PRO 422 N 4.62 -1.11 0.10 2.72 -0.04 -1.26 -4.77 135.00 135.25 1f4h n PRO 422 Ca -0.11 -1.61 0.16 0.00 -0.04 0.00 0.00 63.50 61.90 1f4h n PRO 422 Cb 0.43 -1.09 0.68 0.00 -0.04 0.00 0.00 33.50 33.48 1f4h n PRO 422 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1f4h h MET 423 N 0.00 0.00 -0.15 0.54 4.05 -1.78 -2.47 114.93 115.11 1f4h h MET 423 Ca -0.34 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.13 1f4h h MET 423 Cb 0.94 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.68 1f4h h MET 423 CO 0.24 0.00 -0.26 -0.97 0.23 0.00 0.00 176.91 176.15 1f4h h ASN 424 N 0.00 -0.80 0.00 1.39 -0.00 -1.85 -3.38 115.58 110.93 1f4h h ASN 424 Ca 0.16 0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.59 1f4h h ASN 424 Cb 0.65 0.36 0.00 0.00 -0.00 0.00 0.00 38.32 39.32 1f4h h ASN 424 CO -0.00 -0.30 0.00 -1.14 -0.00 0.00 0.00 177.43 175.99 1f4h n ARG 425 N -5.38 0.00 -0.08 6.67 0.63 -0.93 -0.62 116.66 116.95 1f4h n ARG 425 Ca -0.02 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.75 1f4h n ARG 425 Cb 0.29 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.08 1f4h n ARG 425 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1f4h h LEU 426 N 0.00 0.01 0.00 6.15 3.38 -1.84 -3.34 115.31 119.67 1f4h h LEU 426 Ca 0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1f4h h LEU 426 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1f4h h LEU 426 CO 0.00 1.12 0.00 0.35 0.09 0.00 0.00 178.44 180.00 1f4h n THR 427 N -4.56 1.24 1.11 0.22 -2.24 0.21 -0.56 114.28 109.70 1f4h n THR 427 Ca -0.15 0.31 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1f4h n THR 427 Cb 0.54 -1.12 0.17 0.00 -2.10 0.00 0.00 70.33 67.81 1f4h n THR 427 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1f4h n ASP 428 N -1.49 2.16 -4.43 3.42 2.03 0.02 -2.20 116.55 116.06 1f4h n ASP 428 Ca 0.03 -1.60 -0.39 0.00 0.52 0.00 0.00 54.79 53.35 1f4h n ASP 428 Cb 0.13 0.18 -0.12 0.00 -0.72 0.00 0.00 41.12 40.59 1f4h n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1f4h s ASP 429 N -2.23 5.55 0.58 1.67 -1.08 0.28 -4.67 116.67 116.77 1f4h s ASP 429 Ca 0.26 -0.57 0.35 0.00 -0.52 0.00 0.00 52.55 52.07 1f4h s ASP 429 Cb 0.19 -2.00 1.34 0.00 -1.46 0.00 0.00 42.92 40.99 1f4h s ASP 429 CO 0.43 -0.21 1.56 1.55 0.52 0.00 0.00 175.17 179.02 1f4h h PRO 430 N 8.35 0.00 0.00 4.34 0.13 -1.89 0.78 132.00 143.71 1f4h h PRO 430 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1f4h h PRO 430 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1f4h h PRO 430 CO 0.62 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.93 1f4h n ARG 431 N -3.66 0.01 -0.00 0.86 1.74 -1.26 -2.42 116.66 111.93 1f4h n ARG 431 Ca 0.26 0.25 0.06 0.00 -0.77 0.00 0.00 57.85 57.66 1f4h n ARG 431 Cb 1.45 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 31.29 1f4h n ARG 431 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1f4h n TRP 432 N -1.54 0.00 -0.34 -1.55 7.02 0.27 -4.50 117.44 116.80 1f4h n TRP 432 Ca 0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 1f4h n TRP 432 Cb 0.18 -0.04 -0.07 0.00 -2.42 0.00 0.00 31.31 28.96 1f4h n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1f4h h LEU 433 N 0.00 -1.93 -0.05 -0.99 5.85 -1.49 0.27 115.31 116.97 1f4h h LEU 433 Ca 0.00 0.30 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1f4h h LEU 433 Cb 0.36 0.86 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1f4h h LEU 433 CO 0.00 -0.28 -0.12 -0.65 -0.34 0.00 0.00 178.44 177.04 1f4h h PRO 434 N -0.10 -0.18 -0.59 5.25 0.11 -1.79 1.53 132.00 136.23 1f4h h PRO 434 Ca 0.17 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.41 1f4h h PRO 434 Cb 0.49 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 31.53 1f4h h PRO 434 CO -0.85 -0.12 -0.09 0.00 -0.21 0.00 0.00 178.00 176.73 1f4h h ALA 435 N 0.82 0.47 -0.27 -0.75 0.00 -1.33 -0.52 119.26 117.68 1f4h h ALA 435 Ca 0.06 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1f4h h ALA 435 Cb 0.26 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1f4h h ALA 435 CO -0.16 -0.42 0.12 0.52 0.00 0.00 0.00 179.25 179.32 1f4h h MET 436 N 0.04 0.40 -0.85 0.00 2.86 0.67 -3.12 114.93 114.93 1f4h h MET 436 Ca 0.29 -0.06 0.16 0.00 -2.06 0.00 0.00 59.70 58.03 1f4h h MET 436 Cb 0.46 -0.07 -0.16 0.00 0.06 0.00 0.00 31.60 31.90 1f4h h MET 436 CO -0.57 0.40 -0.27 1.03 1.06 0.00 0.00 176.91 178.56 1f4h h SER 437 N 0.30 -0.97 0.03 1.22 0.87 0.37 0.18 113.55 115.56 1f4h h SER 437 Ca 0.09 0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 1f4h h SER 437 Cb 0.14 0.58 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1f4h h SER 437 CO -0.01 -0.29 -0.07 -0.33 -0.53 0.00 0.00 176.83 175.60 1f4h h GLU 438 N -0.03 0.11 0.00 2.24 5.08 -1.35 0.36 114.58 121.00 1f4h h GLU 438 Ca 0.38 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.62 1f4h h GLU 438 Cb 0.61 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1f4h h GLU 438 CO -0.88 0.19 -0.46 0.00 -1.00 0.00 0.00 179.01 176.86 1f4h h ARG 439 N 0.11 0.00 0.04 2.33 3.08 -0.68 -1.94 114.38 117.32 1f4h h ARG 439 Ca 0.03 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.75 1f4h h ARG 439 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1f4h h ARG 439 CO 0.01 0.46 -1.82 0.28 -1.07 0.00 0.00 179.97 177.84 1f4h n VAL 440 N -3.58 1.61 -0.03 2.04 0.31 -0.95 -3.84 118.33 113.90 1f4h n VAL 440 Ca -0.00 -0.34 -0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1f4h n VAL 440 Cb 0.56 -1.86 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 1f4h n VAL 440 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1f4h h THR 441 N -0.55 0.62 0.00 2.52 1.35 -0.33 -2.13 112.91 114.40 1f4h h THR 441 Ca -0.45 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.36 1f4h h THR 441 Cb 1.65 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1f4h h THR 441 CO -0.13 0.00 -0.25 0.03 -0.25 0.00 0.00 175.52 174.92 1f4h h ARG 442 N -0.13 0.00 0.30 4.72 3.08 -1.55 -2.53 114.38 118.27 1f4h h ARG 442 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1f4h h ARG 442 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1f4h h ARG 442 CO -0.27 0.25 -0.15 1.98 -1.07 0.00 0.00 179.97 180.72 1f4h h MET 443 N 0.00 -0.39 0.08 0.04 4.05 -1.50 -1.06 114.93 116.16 1f4h h MET 443 Ca -0.00 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1f4h h MET 443 Cb 0.59 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.45 1f4h h MET 443 CO 0.03 -0.18 -0.21 0.28 0.23 0.00 0.00 176.91 177.06 1f4h h VAL 444 N -0.52 0.52 -0.95 -5.77 2.07 -1.27 0.80 116.25 111.12 1f4h h VAL 444 Ca -0.04 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.72 1f4h h VAL 444 Cb 0.39 0.52 -0.13 0.00 -1.52 0.00 0.00 31.29 30.55 1f4h h VAL 444 CO 0.07 0.00 0.50 1.56 0.02 0.00 0.00 177.57 179.71 1f4h h GLN 445 N -0.38 0.45 0.09 1.57 4.20 -1.39 0.44 115.11 120.09 1f4h h GLN 445 Ca 0.04 -0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.43 1f4h h GLN 445 Cb 0.42 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1f4h h GLN 445 CO -0.14 0.30 -1.46 -0.09 -0.67 0.00 0.00 178.83 176.77 1f4h h ARG 446 N 0.46 0.20 -0.22 1.46 2.43 -0.76 -3.12 114.38 114.83 1f4h h ARG 446 Ca 0.62 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1f4h h ARG 446 Cb 1.20 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1f4h h ARG 446 CO -0.52 1.05 0.00 -0.25 -1.51 0.00 0.00 179.97 178.74 1f4h n ASP 447 N -3.41 2.53 0.33 -3.80 8.00 0.24 -4.27 116.55 116.17 1f4h n ASP 447 Ca -0.14 -1.83 0.16 0.00 0.71 0.00 0.00 54.79 53.70 1f4h n ASP 447 Cb 1.03 -0.15 0.87 0.00 -0.02 0.00 0.00 41.12 42.86 1f4h n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1f4h h ARG 448 N 1.84 0.00 -0.55 -1.24 0.11 -0.40 -2.62 114.38 111.52 1f4h h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1f4h h ARG 448 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1f4h h ARG 448 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1f4h n ASN 449 N -2.93 5.32 -4.52 0.08 3.02 -1.26 -4.81 115.26 110.15 1f4h n ASN 449 Ca -0.02 -2.85 -0.42 0.00 -0.03 0.00 0.00 54.58 51.26 1f4h n ASN 449 Cb 0.34 -0.65 -0.08 0.00 -0.61 0.00 0.00 39.78 38.79 1f4h n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1f4h s HIS 450 N -2.60 3.14 0.49 3.10 3.76 -0.99 -4.88 115.29 117.32 1f4h s HIS 450 Ca 0.52 -0.06 0.29 0.00 -0.15 0.00 0.00 55.06 55.66 1f4h s HIS 450 Cb 0.39 -3.04 1.38 0.00 1.11 0.00 0.00 32.58 32.42 1f4h s HIS 450 CO 0.17 -0.68 1.83 -1.00 -0.85 0.00 0.00 174.74 174.20 1f4h h PRO 451 N 8.66 0.13 0.00 8.40 0.13 -1.86 -0.99 132.00 146.48 1f4h h PRO 451 Ca -0.27 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1f4h h PRO 451 Cb 1.11 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1f4h h PRO 451 CO 0.81 0.09 -0.20 0.66 -0.23 0.00 0.00 178.00 179.13 1f4h h SER 452 N 0.13 0.00 -3.10 1.44 4.64 -1.88 -3.42 113.55 111.37 1f4h h SER 452 Ca 0.51 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.26 1f4h h SER 452 Cb 1.78 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.82 1f4h h SER 452 CO -0.09 0.20 0.84 -0.69 -0.87 0.00 0.00 176.83 176.22 1f4h s VAL 453 N -4.15 4.53 -0.09 0.95 1.01 -0.38 0.91 120.40 123.19 1f4h s VAL 453 Ca -0.02 1.82 0.07 0.00 0.00 0.00 0.00 61.98 63.85 1f4h s VAL 453 Cb 0.13 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1f4h s VAL 453 CO 0.64 -0.26 0.19 2.30 0.00 0.00 0.00 175.10 177.97 1f4h n ILE 454 N 5.51 0.00 -3.98 2.22 -5.35 0.35 -4.88 119.36 113.22 1f4h n ILE 454 Ca 0.13 -0.20 -0.10 0.00 -0.27 0.00 0.00 62.75 62.30 1f4h n ILE 454 Cb 0.46 0.51 -0.11 0.00 -1.74 0.00 0.00 39.64 38.75 1f4h n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1f4h s ILE 455 N -2.27 0.14 -0.12 7.28 1.01 -1.23 -4.06 121.20 121.95 1f4h s ILE 455 Ca -0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 1f4h s ILE 455 Cb 0.05 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1f4h s ILE 455 CO 0.29 -0.45 0.01 0.26 0.00 0.00 0.00 174.94 175.05 1f4h s TRP 456 N -1.33 3.17 0.01 3.97 0.52 0.66 -2.55 118.94 123.39 1f4h s TRP 456 Ca -0.14 0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.11 1f4h s TRP 456 Cb -0.09 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1f4h s TRP 456 CO -0.01 0.32 -0.13 0.45 0.02 0.00 0.00 176.95 177.60 1f4h s SER 457 N -0.40 4.19 0.00 2.95 0.15 -0.42 0.13 113.70 120.30 1f4h s SER 457 Ca 0.08 -0.28 0.29 0.00 0.70 0.00 0.00 55.95 56.74 1f4h s SER 457 Cb -0.12 -0.84 1.19 0.00 -1.71 0.00 0.00 66.02 64.53 1f4h s SER 457 CO 0.02 0.28 1.82 0.18 1.20 0.00 0.00 173.24 176.74 1f4h n LEU 458 N 1.64 1.15 0.00 3.45 4.77 -0.76 -2.85 117.00 124.39 1f4h n LEU 458 Ca -0.16 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1f4h n LEU 458 Cb 0.52 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1f4h n LEU 458 CO 0.28 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1f4h n GLY 459 N 1.16 0.76 3.17 -0.72 0.00 -1.26 -4.71 105.19 103.59 1f4h n GLY 459 Ca 0.19 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 1f4h n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f4h s ASN 460 N -4.00 -0.09 -0.14 1.61 2.47 -0.43 -4.76 114.94 109.61 1f4h s ASN 460 Ca 0.00 -0.04 -0.01 0.00 0.42 0.00 0.00 52.86 53.23 1f4h s ASN 460 Cb 0.00 0.27 0.00 0.00 -1.45 0.00 0.00 41.25 40.07 1f4h s ASN 460 CO 0.00 -0.40 0.10 -1.84 -3.72 0.00 0.00 177.10 171.24 1f4h n GLU 461 N 1.42 -0.33 -1.38 0.43 0.28 -1.26 -4.23 120.64 115.57 1f4h n GLU 461 Ca -0.22 0.06 0.03 0.00 -0.16 0.00 0.00 57.16 56.87 1f4h n GLU 461 Cb 0.56 -0.27 0.08 0.00 1.43 0.00 0.00 31.44 33.23 1f4h n GLU 461 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1f4h n SER 462 N 0.04 1.40 0.00 -1.84 7.64 -1.26 -2.34 113.62 117.26 1f4h n SER 462 Ca -0.05 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1f4h n SER 462 Cb 0.11 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1f4h n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f4h n GLY 463 N -0.10 2.11 2.76 0.23 0.00 -1.26 -4.39 105.19 104.55 1f4h n GLY 463 Ca 0.11 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 1f4h n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1f4h s HIS 464 N 0.00 -0.19 0.22 1.61 2.46 -1.26 -2.89 115.29 115.24 1f4h s HIS 464 Ca 0.00 0.25 0.03 0.00 0.47 0.00 0.00 55.06 55.81 1f4h s HIS 464 Cb 0.00 -0.38 -0.05 0.00 -0.13 0.00 0.00 32.58 32.02 1f4h s HIS 464 CO 0.00 -0.51 0.01 0.20 -2.47 0.00 0.00 174.74 171.97 1f4h s GLY 465 N 2.30 1.52 0.36 1.59 0.00 -1.26 -4.87 107.32 106.96 1f4h s GLY 465 Ca 0.05 -1.75 0.16 0.00 0.00 0.00 0.00 44.72 43.18 1f4h s GLY 465 CO -0.10 -1.63 1.71 0.00 0.00 0.00 0.00 173.10 173.07 1f4h h ALA 466 N 2.50 2.09 -0.87 3.20 0.00 -1.83 1.19 119.26 125.53 1f4h h ALA 466 Ca -0.38 0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.82 1f4h h ALA 466 Cb 1.22 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1f4h h ALA 466 CO 0.64 -0.60 0.57 -0.91 0.00 0.00 0.00 179.25 178.95 1f4h h ASN 467 N 0.39 0.51 -0.35 0.00 4.21 -1.74 -0.87 115.58 117.73 1f4h h ASN 467 Ca 0.68 0.04 -0.04 0.00 1.21 0.00 0.00 56.30 58.19 1f4h h ASN 467 Cb 1.61 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.73 1f4h h ASN 467 CO -0.45 0.24 0.07 0.45 -1.29 0.00 0.00 177.43 176.44 1f4h h HIS 468 N 0.53 0.62 -0.40 1.19 3.86 0.13 -1.94 115.15 119.14 1f4h h HIS 468 Ca 0.45 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.61 1f4h h HIS 468 Cb 0.93 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1f4h h HIS 468 CO -0.00 0.63 0.27 -0.44 0.86 0.00 0.00 177.93 179.25 1f4h h ASP 469 N 0.42 0.36 -0.06 2.45 3.32 -1.10 0.98 116.42 122.80 1f4h h ASP 469 Ca 0.11 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1f4h h ASP 469 Cb 0.34 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1f4h h ASP 469 CO 0.01 0.25 -0.52 0.00 -1.72 0.00 0.00 179.24 177.26 1f4h h ALA 470 N 1.77 0.14 -0.38 3.45 0.00 -1.25 -2.27 119.26 120.72 1f4h h ALA 470 Ca 0.16 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1f4h h ALA 470 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1f4h h ALA 470 CO -0.04 0.34 -0.07 -0.07 0.00 0.00 0.00 179.25 179.41 1f4h h LEU 471 N -0.01 0.62 0.72 0.00 3.38 -0.65 0.18 115.31 119.54 1f4h h LEU 471 Ca -0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1f4h h LEU 471 Cb 1.19 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.78 1f4h h LEU 471 CO 0.10 0.74 -0.34 0.22 0.09 0.00 0.00 178.44 179.25 1f4h h TYR 472 N 0.59 -0.89 -0.58 1.13 3.20 -0.83 -0.49 116.97 119.10 1f4h h TYR 472 Ca 0.11 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.08 1f4h h TYR 472 Cb 0.48 0.30 -0.10 0.00 1.54 0.00 0.00 36.73 38.95 1f4h h TYR 472 CO 0.02 -0.55 -0.02 0.00 -1.64 0.00 0.00 178.16 175.97 1f4h h ARG 473 N -0.97 0.10 -0.28 1.82 2.47 -1.10 0.56 114.38 116.97 1f4h h ARG 473 Ca -0.10 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1f4h h ARG 473 Cb 0.74 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.98 1f4h h ARG 473 CO 0.16 0.07 -0.11 2.35 0.56 0.00 0.00 179.97 183.00 1f4h h TRP 474 N 0.10 -0.26 0.18 3.04 7.01 -0.18 -1.67 115.95 124.18 1f4h h TRP 474 Ca 0.30 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.34 1f4h h TRP 474 Cb 0.47 0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1f4h h TRP 474 CO -0.36 -0.17 -0.30 0.82 -2.79 0.00 0.00 178.44 175.63 1f4h h ILE 475 N -0.06 0.36 -0.59 2.65 2.04 0.73 0.44 117.51 123.07 1f4h h ILE 475 Ca 0.14 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.13 1f4h h ILE 475 Cb 0.28 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1f4h h ILE 475 CO -0.33 0.00 0.41 0.11 0.00 0.00 0.00 178.15 178.34 1f4h h LYS 476 N -0.56 0.23 -0.02 2.37 1.79 -1.05 0.54 116.57 119.88 1f4h h LYS 476 Ca 0.02 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1f4h h LYS 476 Cb 0.56 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1f4h h LYS 476 CO -0.14 0.15 -0.05 0.77 -1.08 0.00 0.00 179.45 179.11 1f4h h SER 477 N 0.24 0.07 -0.01 0.86 0.02 -0.29 -3.27 113.55 111.17 1f4h h SER 477 Ca 0.28 -0.61 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1f4h h SER 477 Cb 0.78 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1f4h h SER 477 CO -0.06 0.67 -0.00 0.58 -1.14 0.00 0.00 176.83 176.88 1f4h h VAL 478 N -0.52 1.28 -3.67 2.27 2.07 0.15 -3.41 116.25 114.41 1f4h h VAL 478 Ca -0.00 -0.84 -0.62 0.00 0.82 0.00 0.00 66.70 66.06 1f4h h VAL 478 Cb 0.66 1.83 -0.38 0.00 -1.52 0.00 0.00 31.29 31.88 1f4h h VAL 478 CO 0.01 0.22 -0.79 -0.62 0.02 0.00 0.00 177.57 176.41 1f4h s ASP 479 N -5.57 3.99 0.00 0.57 2.15 0.17 -4.97 116.67 113.00 1f4h s ASP 479 Ca -0.15 -1.25 0.23 0.00 0.43 0.00 0.00 52.55 51.81 1f4h s ASP 479 Cb 0.03 -1.25 0.52 0.00 -0.30 0.00 0.00 42.92 41.92 1f4h s ASP 479 CO 0.67 -0.23 1.44 -2.65 -0.17 0.00 0.00 175.17 174.23 1f4h n PRO 480 N 4.62 2.20 0.01 4.34 -0.01 -1.23 -4.20 135.00 140.73 1f4h n PRO 480 Ca -0.12 -1.79 0.14 0.00 -0.01 0.00 0.00 63.50 61.72 1f4h n PRO 480 Cb 0.44 -1.47 0.58 0.00 -0.01 0.00 0.00 33.50 33.04 1f4h n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 1f4h n SER 481 N 1.04 0.08 -3.79 2.55 3.41 -1.26 -4.82 113.62 110.83 1f4h n SER 481 Ca 0.17 0.51 -0.13 0.00 -0.26 0.00 0.00 58.87 59.17 1f4h n SER 481 Cb 0.51 -0.53 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 1f4h n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1f4h s ARG 482 N -3.01 0.27 0.70 4.33 0.52 -1.26 -4.32 118.95 116.17 1f4h s ARG 482 Ca 0.13 0.34 -0.09 0.00 -0.52 0.00 0.00 55.73 55.59 1f4h s ARG 482 Cb 0.18 0.11 0.03 0.00 0.52 0.00 0.00 34.95 35.79 1f4h s ARG 482 CO 0.52 -0.04 1.05 -2.14 0.02 0.00 0.00 175.30 174.71 1f4h s PRO 483 N 0.21 2.57 -0.02 3.54 0.02 -1.26 -4.81 135.00 135.26 1f4h s PRO 483 Ca -0.01 0.15 0.07 0.00 0.02 0.00 0.00 61.00 61.23 1f4h s PRO 483 Cb -0.02 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 1f4h s PRO 483 CO -0.00 -1.10 -0.22 0.08 -0.33 0.00 0.00 177.00 175.42 1f4h s VAL 484 N -3.29 2.36 0.04 3.83 1.01 -1.26 -0.25 120.40 122.85 1f4h s VAL 484 Ca 0.58 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1f4h s VAL 484 Cb -0.11 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1f4h s VAL 484 CO 0.48 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 176.05 1f4h s GLN 485 N -0.70 0.63 -0.23 2.72 -2.07 0.34 -0.47 119.66 119.87 1f4h s GLN 485 Ca 0.11 -0.74 -0.16 0.00 -1.82 0.00 0.00 55.36 52.74 1f4h s GLN 485 Cb -0.10 -0.50 0.07 0.00 -1.09 0.00 0.00 33.01 31.39 1f4h s GLN 485 CO -0.00 0.11 0.58 -0.47 -1.32 0.00 0.00 175.29 174.19 1f4h s TYR 486 N -1.17 -0.78 -0.10 9.60 5.04 -1.26 -1.83 117.35 126.85 1f4h s TYR 486 Ca -0.06 1.71 0.20 0.00 -2.44 0.00 0.00 57.07 56.48 1f4h s TYR 486 Cb -0.09 0.37 -0.27 0.00 0.35 0.00 0.00 41.96 42.32 1f4h s TYR 486 CO 0.01 -0.39 0.43 -1.91 -1.34 0.00 0.00 175.55 172.35 1f4h n GLU 487 N 3.63 0.66 -1.40 4.97 0.00 -1.26 -4.52 120.64 122.72 1f4h n GLU 487 Ca -0.18 -0.08 -0.44 0.00 0.00 0.00 0.00 57.16 56.45 1f4h n GLU 487 Cb 0.57 -1.57 -0.01 0.00 0.00 0.00 0.00 31.44 30.43 1f4h n GLU 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1f4h n GLY 488 N 1.41 -1.83 3.75 8.31 0.00 -1.26 -0.35 105.19 115.22 1f4h n GLY 488 Ca -0.13 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1f4h n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 489 N 1.97 -0.52 0.00 -0.02 0.00 -1.14 -3.82 105.19 101.66 1f4h n GLY 489 Ca 0.13 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1f4h n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 490 N -1.82 1.26 2.86 -0.02 0.00 -1.20 -4.77 105.19 101.51 1f4h n GLY 490 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1f4h n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4h n ALA 491 N 0.00 0.00 -1.02 4.61 0.00 0.53 -4.79 120.51 119.84 1f4h n ALA 491 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f4h n ALA 491 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1f4h n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1f4h n ASP 492 N 0.00 0.44 -3.24 0.00 5.68 -1.26 -2.45 116.55 115.73 1f4h n ASP 492 Ca 0.00 -1.45 -0.10 0.00 -0.50 0.00 0.00 54.79 52.74 1f4h n ASP 492 Cb 0.00 -0.06 0.10 0.00 -1.14 0.00 0.00 41.12 40.02 1f4h n ASP 492 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1f4h n THR 493 N -0.15 0.00 1.57 2.12 -2.24 -1.26 -4.82 114.28 109.49 1f4h n THR 493 Ca 0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1f4h n THR 493 Cb 0.50 -0.32 0.21 0.00 -2.10 0.00 0.00 70.33 68.62 1f4h n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1f4h n THR 494 N -3.73 0.17 0.03 4.28 -2.24 -1.26 -3.02 114.28 108.51 1f4h n THR 494 Ca 0.04 -0.19 0.04 0.00 -2.27 0.00 0.00 64.05 61.68 1f4h n THR 494 Cb 0.19 0.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.58 1f4h n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f4h n ALA 495 N -0.14 2.26 -2.52 6.98 0.00 -1.26 -4.97 120.51 120.86 1f4h n ALA 495 Ca 0.08 -0.93 -0.24 0.00 0.00 0.00 0.00 53.44 52.35 1f4h n ALA 495 Cb 0.15 -0.34 -0.14 0.00 0.00 0.00 0.00 19.45 19.12 1f4h n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1f4h s THR 496 N -0.91 1.55 -0.15 0.00 -1.32 -1.17 -4.12 115.64 109.52 1f4h s THR 496 Ca 0.16 -1.15 0.22 0.00 -1.21 0.00 0.00 61.69 59.70 1f4h s THR 496 Cb 0.09 -1.35 -0.15 0.00 -1.51 0.00 0.00 72.50 69.58 1f4h s THR 496 CO 0.12 0.16 0.78 0.47 -2.21 0.00 0.00 174.62 173.95 1f4h n ASP 497 N 1.86 0.50 -4.25 8.08 8.00 0.37 -4.86 116.55 126.26 1f4h n ASP 497 Ca -0.17 0.20 -0.25 0.00 0.71 0.00 0.00 54.79 55.27 1f4h n ASP 497 Cb 0.54 1.03 -0.14 0.00 -0.02 0.00 0.00 41.12 42.53 1f4h n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1f4h s ILE 498 N -3.36 1.65 -0.46 0.53 1.01 -1.26 -4.70 121.20 114.61 1f4h s ILE 498 Ca -0.04 -1.24 -0.27 0.00 0.00 0.00 0.00 60.65 59.10 1f4h s ILE 498 Cb 0.11 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 41.16 1f4h s ILE 498 CO 0.84 0.16 1.00 -0.63 0.00 0.00 0.00 174.94 176.30 1f4h s ILE 499 N -0.86 4.40 -0.51 2.92 1.01 0.05 -4.79 121.20 123.41 1f4h s ILE 499 Ca 0.07 0.96 0.07 0.00 0.00 0.00 0.00 60.65 61.75 1f4h s ILE 499 Cb -0.09 -4.48 0.26 0.00 0.01 0.00 0.00 42.46 38.16 1f4h s ILE 499 CO 0.02 -0.86 0.67 0.00 0.00 0.00 0.00 174.94 174.77 1f4h s PRO 501 N -2.03 1.07 -0.11 0.00 0.04 -1.26 -3.86 135.00 128.86 1f4h s PRO 501 Ca 0.39 0.03 0.03 0.00 0.04 0.00 0.00 61.00 61.49 1f4h s PRO 501 Cb 0.18 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.88 1f4h s PRO 501 CO -0.07 -2.19 -0.20 0.00 0.04 0.00 0.00 177.00 174.59 1f4h s MET 502 N -5.53 2.64 -0.01 4.56 0.23 -1.25 -1.50 119.30 118.43 1f4h s MET 502 Ca 0.66 -0.72 0.00 0.00 -1.03 0.00 0.00 55.69 54.60 1f4h s MET 502 Cb -0.10 -2.11 0.00 0.00 -1.53 0.00 0.00 34.83 31.09 1f4h s MET 502 CO 0.52 0.04 0.00 0.66 -2.03 0.00 0.00 175.02 174.21 1f4h n TYR 503 N 3.89 0.00 -2.61 3.16 4.02 0.03 -4.96 117.16 120.70 1f4h n TYR 503 Ca -0.20 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.30 1f4h n TYR 503 Cb 0.52 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.63 1f4h n TYR 503 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1f4h s ALA 504 N -1.97 3.34 0.71 -0.72 0.00 -1.26 -4.86 121.76 117.01 1f4h s ALA 504 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 1f4h s ALA 504 Cb 0.00 -3.27 0.10 0.00 0.00 0.00 0.00 23.12 19.95 1f4h s ALA 504 CO 0.00 0.00 1.00 1.03 0.00 0.00 0.00 175.76 177.79 1f4h s ARG 505 N -1.46 1.84 -0.03 0.00 0.52 -1.26 -4.80 118.95 113.77 1f4h s ARG 505 Ca 0.44 -0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 54.66 1f4h s ARG 505 Cb -0.28 -2.26 -0.21 0.00 0.52 0.00 0.00 34.95 32.71 1f4h s ARG 505 CO 0.35 -1.37 1.12 0.28 0.02 0.00 0.00 175.30 175.70 1f4h h VAL 506 N -0.56 1.49 0.00 3.52 2.07 -1.95 -0.88 116.25 119.94 1f4h h VAL 506 Ca -0.40 -1.73 -0.19 0.00 0.82 0.00 0.00 66.70 65.20 1f4h h VAL 506 Cb 1.28 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 33.54 1f4h h VAL 506 CO 0.47 0.48 -1.71 0.47 0.02 0.00 0.00 177.57 177.30 1f4h n ASP 507 N -4.55 2.84 -4.85 0.57 8.00 -1.26 -3.39 116.55 113.91 1f4h n ASP 507 Ca -0.09 -0.04 -0.35 0.00 0.71 0.00 0.00 54.79 55.01 1f4h n ASP 507 Cb 0.45 0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 1f4h n ASP 507 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1f4h s GLU 508 N -2.25 3.91 0.07 -1.24 -1.05 -1.26 -4.71 118.70 112.16 1f4h s GLU 508 Ca -0.13 0.38 -0.15 0.00 -0.15 0.00 0.00 54.97 54.93 1f4h s GLU 508 Cb 0.04 -2.98 -0.06 0.00 -0.44 0.00 0.00 34.13 30.69 1f4h s GLU 508 CO 0.33 0.52 0.48 -0.51 0.95 0.00 0.00 175.26 177.04 1f4h s ASP 509 N -1.68 6.85 -0.32 0.83 1.01 -1.26 -3.73 116.67 118.37 1f4h s ASP 509 Ca 0.35 1.04 0.03 0.00 0.71 0.00 0.00 52.55 54.68 1f4h s ASP 509 Cb -0.15 -2.27 0.09 0.00 1.01 0.00 0.00 42.92 41.60 1f4h s ASP 509 CO 0.18 0.23 0.03 -1.10 0.21 0.00 0.00 175.17 174.73 1f4h s GLN 510 N -1.46 1.43 -0.85 8.23 -0.21 0.66 -4.95 119.66 122.51 1f4h s GLN 510 Ca 0.30 -1.60 -0.03 0.00 0.02 0.00 0.00 55.36 54.05 1f4h s GLN 510 Cb -0.16 -2.90 0.21 0.00 1.00 0.00 0.00 33.01 31.15 1f4h s GLN 510 CO 0.17 -0.88 2.30 -0.35 -2.12 0.00 0.00 175.29 174.40 1f4h n PRO 511 N 4.41 3.50 -0.60 2.91 -0.04 -1.26 0.38 135.00 144.31 1f4h n PRO 511 Ca -0.00 -3.35 -0.30 0.00 -0.04 0.00 0.00 63.50 59.80 1f4h n PRO 511 Cb 0.42 -2.34 0.20 0.00 -0.04 0.00 0.00 33.50 31.75 1f4h n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1f4h n PHE 512 N 0.42 -0.29 -2.81 0.54 3.01 -1.26 -4.79 117.46 112.29 1f4h n PHE 512 Ca 0.53 0.15 -0.40 0.00 1.01 0.00 0.00 57.45 58.74 1f4h n PHE 512 Cb 0.34 -1.84 -0.05 0.00 -0.01 0.00 0.00 39.48 37.92 1f4h n PHE 512 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1f4h s PRO 513 N -4.40 4.71 0.00 -1.08 0.02 -1.26 -2.61 135.00 130.39 1f4h s PRO 513 Ca 0.66 1.37 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1f4h s PRO 513 Cb -0.23 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 30.97 1f4h s PRO 513 CO 0.62 0.40 0.00 0.00 -0.33 0.00 0.00 177.00 177.69 1f4h n ALA 514 N 2.09 0.00 -3.67 -1.55 0.00 -1.26 -4.54 120.51 111.58 1f4h n ALA 514 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.15 1f4h n ALA 514 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1f4h n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1f4h n VAL 515 N 0.00 1.09 -2.04 0.00 0.24 -1.24 -4.88 118.33 111.49 1f4h n VAL 515 Ca 0.00 -4.61 -0.33 0.00 -2.04 0.00 0.00 64.34 57.36 1f4h n VAL 515 Cb 0.00 -2.05 0.01 0.00 -1.47 0.00 0.00 33.84 30.33 1f4h n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1f4h s PRO 516 N -1.36 3.31 -0.47 7.34 0.04 -1.07 -4.32 135.00 138.47 1f4h s PRO 516 Ca 0.30 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.58 1f4h s PRO 516 Cb 0.02 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.66 1f4h s PRO 516 CO -0.14 -0.81 0.22 -1.59 0.04 0.00 0.00 177.00 174.72 1f4h s LYS 517 N -4.08 1.72 1.02 4.56 -2.85 1.24 -4.87 119.74 116.49 1f4h s LYS 517 Ca 0.64 -2.35 -0.12 0.00 -1.00 0.00 0.00 55.97 53.14 1f4h s LYS 517 Cb -0.16 -3.04 0.20 0.00 -2.06 0.00 0.00 37.83 32.77 1f4h s LYS 517 CO 0.37 -1.10 1.08 -1.58 0.10 0.00 0.00 175.35 174.22 1f4h s TRP 518 N 0.05 1.93 0.33 1.78 0.52 -1.25 -0.25 118.94 122.05 1f4h s TRP 518 Ca 0.16 1.14 -0.29 0.00 0.02 0.00 0.00 56.10 57.13 1f4h s TRP 518 Cb -0.25 -3.20 -0.11 0.00 -1.15 0.00 0.00 33.47 28.77 1f4h s TRP 518 CO -0.02 -3.03 1.42 0.45 0.02 0.00 0.00 176.95 175.79 1f4h s SER 519 N -3.17 6.58 0.16 2.95 0.15 -1.24 -4.41 113.70 114.70 1f4h s SER 519 Ca 0.66 2.82 -0.20 0.00 0.70 0.00 0.00 55.95 59.93 1f4h s SER 519 Cb -0.20 -2.65 0.06 0.00 -1.71 0.00 0.00 66.02 61.52 1f4h s SER 519 CO 0.59 -0.71 1.65 0.16 1.20 0.00 0.00 173.24 176.13 1f4h h ILE 520 N 3.15 0.51 -0.52 6.45 3.07 -1.16 0.44 117.51 129.46 1f4h h ILE 520 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1f4h h ILE 520 Cb 1.23 0.51 -0.03 0.00 -0.27 0.00 0.00 36.82 38.26 1f4h h ILE 520 CO 0.69 0.00 0.33 0.07 -1.05 0.00 0.00 178.15 178.19 1f4h h LYS 521 N -0.12 0.69 0.00 0.16 2.10 -1.84 -1.55 116.57 116.00 1f4h h LYS 521 Ca 0.16 -0.05 -0.20 0.00 -2.00 0.00 0.00 60.65 58.56 1f4h h LYS 521 Cb 0.37 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 31.52 1f4h h LYS 521 CO -0.39 0.47 -0.95 -0.22 -2.00 0.00 0.00 179.45 176.36 1f4h h LYS 522 N 0.71 0.00 -0.44 0.07 3.64 -1.54 -3.31 116.57 115.70 1f4h h LYS 522 Ca 0.19 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.66 1f4h h LYS 522 Cb -0.05 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.68 1f4h h LYS 522 CO -0.04 0.91 -0.14 2.35 -2.27 0.00 0.00 179.45 180.27 1f4h h TRP 523 N 0.00 -0.32 -0.97 1.91 2.91 0.89 -1.64 115.95 118.75 1f4h h TRP 523 Ca -0.02 0.04 0.14 0.00 1.13 0.00 0.00 58.89 60.18 1f4h h TRP 523 Cb 1.72 0.21 -0.08 0.00 -0.51 0.00 0.00 29.16 30.50 1f4h h TRP 523 CO 0.00 -0.22 0.61 -0.07 -1.03 0.00 0.00 178.44 177.73 1f4h h LEU 524 N -0.04 0.82 -1.34 0.65 3.38 -1.61 -1.95 115.31 115.23 1f4h h LEU 524 Ca 0.21 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1f4h h LEU 524 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1f4h h LEU 524 CO -0.48 0.42 0.00 -1.54 0.09 0.00 0.00 178.44 176.93 1f4h n SER 525 N -4.61 1.95 -4.69 -0.43 3.41 -0.62 -4.60 113.62 104.03 1f4h n SER 525 Ca 0.19 -1.95 -0.38 0.00 -0.26 0.00 0.00 58.87 56.46 1f4h n SER 525 Cb 0.42 -0.23 0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1f4h n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1f4h n LEU 526 N 0.56 4.77 -4.73 1.04 4.32 -0.74 -4.83 117.00 117.39 1f4h n LEU 526 Ca 0.13 0.91 -0.42 0.00 -0.02 0.00 0.00 56.01 56.61 1f4h n LEU 526 Cb 0.32 -1.50 -0.03 0.00 -1.62 0.00 0.00 43.42 40.59 1f4h n LEU 526 CO 0.09 -1.12 1.05 -2.84 -1.22 0.00 0.00 177.39 173.35 1f4h s PRO 527 N -2.83 4.33 0.00 3.23 0.02 -1.26 -2.26 135.00 136.23 1f4h s PRO 527 Ca 0.74 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1f4h s PRO 527 Cb -0.43 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 30.89 1f4h s PRO 527 CO 0.48 -0.38 0.00 0.41 -0.33 0.00 0.00 177.00 177.18 1f4h n GLY 528 N 2.98 2.95 3.71 0.52 0.00 -1.26 -5.03 105.19 109.05 1f4h n GLY 528 Ca 0.09 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1f4h n GLY 528 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f4h n GLU 529 N 0.00 2.46 0.00 1.61 4.07 -0.96 -4.91 120.64 122.92 1f4h n GLU 529 Ca 0.00 0.88 0.00 0.00 -0.06 0.00 0.00 57.16 57.98 1f4h n GLU 529 Cb 0.00 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 28.73 1f4h n GLU 529 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1f4h n THR 530 N 2.71 0.00 -1.97 6.31 -2.24 -1.26 -4.77 114.28 113.06 1f4h n THR 530 Ca 0.12 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.54 1f4h n THR 530 Cb 0.34 0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1f4h n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1f4h s ARG 531 N 0.00 3.04 0.76 -0.78 0.52 -1.26 -4.41 118.95 116.81 1f4h s ARG 531 Ca 0.00 1.93 -0.13 0.00 -0.52 0.00 0.00 55.73 57.01 1f4h s ARG 531 Cb 0.00 -2.03 0.05 0.00 0.52 0.00 0.00 34.95 33.49 1f4h s ARG 531 CO 0.00 -1.18 1.13 -1.25 0.02 0.00 0.00 175.30 174.03 1f4h s PRO 532 N -3.18 2.15 -0.12 3.54 0.04 -1.00 -4.70 135.00 131.73 1f4h s PRO 532 Ca 0.75 1.44 0.01 0.00 0.04 0.00 0.00 61.00 63.24 1f4h s PRO 532 Cb -0.33 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1f4h s PRO 532 CO 0.37 -1.76 -0.13 -0.48 0.04 0.00 0.00 177.00 175.04 1f4h s LEU 533 N -5.56 1.57 -0.10 -3.56 0.05 0.19 -0.77 118.68 110.49 1f4h s LEU 533 Ca 0.67 -0.41 0.02 0.00 0.05 0.00 0.00 54.13 54.46 1f4h s LEU 533 Cb -0.22 -1.04 0.01 0.00 -2.05 0.00 0.00 46.19 42.89 1f4h s LEU 533 CO 0.50 -0.04 -0.15 -0.63 -0.55 0.00 0.00 176.35 175.47 1f4h s ILE 534 N 1.33 1.46 -0.26 1.48 1.01 -0.40 -2.29 121.20 123.53 1f4h s ILE 534 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 1f4h s ILE 534 Cb -0.14 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.01 1f4h s ILE 534 CO -0.06 0.43 1.07 -0.76 0.00 0.00 0.00 174.94 175.62 1f4h s LEU 535 N 0.92 4.03 0.58 2.97 1.43 -0.65 -3.99 118.68 123.98 1f4h s LEU 535 Ca -0.08 1.26 0.28 0.00 -1.03 0.00 0.00 54.13 54.55 1f4h s LEU 535 Cb -0.15 -3.54 1.58 0.00 0.03 0.00 0.00 46.19 44.10 1f4h s LEU 535 CO -0.00 -0.77 2.06 0.00 0.23 0.00 0.00 176.35 177.87 1f4h s GLU 537 N -4.70 0.54 0.33 0.00 -1.05 -1.22 -4.40 118.70 108.21 1f4h s GLU 537 Ca -0.05 0.91 0.02 0.00 -0.15 0.00 0.00 54.97 55.70 1f4h s GLU 537 Cb 0.16 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 1f4h s GLU 537 CO 0.58 -0.11 0.37 1.52 0.95 0.00 0.00 175.26 178.57 1f4h s TYR 538 N 1.35 1.38 -0.47 4.83 -0.85 -0.72 -0.79 117.35 122.08 1f4h s TYR 538 Ca -0.08 -1.46 -0.14 0.00 -0.52 0.00 0.00 57.07 54.87 1f4h s TYR 538 Cb -0.04 -0.40 0.02 0.00 0.38 0.00 0.00 41.96 41.92 1f4h s TYR 538 CO -0.16 -0.99 0.46 0.00 -1.52 0.00 0.00 175.55 173.34 1f4h n ALA 539 N -0.57 -2.14 -1.59 9.51 0.00 -1.26 -2.21 120.51 122.25 1f4h n ALA 539 Ca 0.04 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 1f4h n ALA 539 Cb 0.62 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 1f4h n ALA 539 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1f4h n HIS 540 N -1.15 1.91 -1.49 0.00 -0.00 -1.15 -3.82 115.22 109.52 1f4h n HIS 540 Ca -0.16 -0.09 -0.28 0.00 0.46 0.00 0.00 57.72 57.66 1f4h n HIS 540 Cb 0.50 -2.71 -0.04 0.00 -0.12 0.00 0.00 29.99 27.62 1f4h n HIS 540 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1f4h n ALA 541 N 11.80 6.38 -2.58 1.57 0.00 0.48 -4.45 120.51 133.71 1f4h n ALA 541 Ca 0.31 -3.06 -0.43 0.00 0.00 0.00 0.00 53.44 50.26 1f4h n ALA 541 Cb 0.44 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1f4h n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1f4h s MET 542 N -1.95 3.62 7.22 0.00 -2.45 -1.25 -3.76 119.30 120.73 1f4h s MET 542 Ca 0.57 0.31 0.00 0.00 -1.25 0.00 0.00 55.69 55.32 1f4h s MET 542 Cb 0.38 -3.91 0.00 0.00 1.25 0.00 0.00 34.83 32.56 1f4h s MET 542 CO -0.22 -1.23 0.00 0.41 1.05 0.00 0.00 175.02 175.03 1f4h n GLY 543 N 4.84 2.24 3.42 2.11 0.00 -1.23 -4.23 105.19 112.34 1f4h n GLY 543 Ca 0.08 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 1f4h n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f4h s ASN 544 N -4.00 6.42 0.00 1.61 2.47 -1.26 -4.90 114.94 115.28 1f4h s ASN 544 Ca 0.00 -1.69 0.00 0.00 0.42 0.00 0.00 52.86 51.59 1f4h s ASN 544 Cb 0.00 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 1f4h s ASN 544 CO 0.00 -1.13 0.00 -1.20 -3.72 0.00 0.00 177.10 171.05 1f4h n SER 545 N 6.55 0.20 0.00 -4.21 7.64 -1.26 -4.74 113.62 117.80 1f4h n SER 545 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1f4h n SER 545 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1f4h n SER 545 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f4h n LEU 546 N 0.00 0.00 -4.76 -3.43 4.32 -1.24 -4.79 117.00 107.09 1f4h n LEU 546 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.60 1f4h n LEU 546 Cb 0.00 -0.49 -0.04 0.00 -1.62 0.00 0.00 43.42 41.27 1f4h n LEU 546 CO 0.00 0.00 0.79 -0.83 -1.22 0.00 0.00 177.39 176.13 1f4h s GLY 547 N -2.81 2.97 0.00 -0.72 0.00 -0.34 -2.66 107.32 103.76 1f4h s GLY 547 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.59 1f4h s GLY 547 CO 0.00 1.43 0.00 0.61 0.00 0.00 0.00 173.10 175.14 1f4h n GLY 548 N 0.94 1.34 0.27 0.20 0.00 0.18 -4.23 105.19 103.88 1f4h n GLY 548 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1f4h n GLY 548 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1f4h n PHE 549 N -2.00 0.38 -0.29 1.61 7.35 -1.09 -0.29 117.46 123.13 1f4h n PHE 549 Ca 0.00 0.94 -0.02 0.00 -0.76 0.00 0.00 57.45 57.61 1f4h n PHE 549 Cb 0.00 -1.01 0.10 0.00 0.35 0.00 0.00 39.48 38.92 1f4h n PHE 549 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1f4h h ALA 550 N 1.55 1.06 -0.64 3.13 0.00 -1.88 -2.63 119.26 119.85 1f4h h ALA 550 Ca 0.42 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.43 1f4h h ALA 550 Cb 0.76 -0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 1f4h h ALA 550 CO -0.77 0.33 -0.08 0.87 0.00 0.00 0.00 179.25 179.61 1f4h h LYS 551 N 1.00 0.05 -0.25 0.00 1.57 -1.07 0.11 116.57 117.99 1f4h h LYS 551 Ca 0.32 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1f4h h LYS 551 Cb 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1f4h h LYS 551 CO -0.12 0.03 0.12 1.88 -0.57 0.00 0.00 179.45 180.80 1f4h h TYR 552 N 0.05 0.22 0.00 -1.35 -1.99 -1.54 -2.36 116.97 110.01 1f4h h TYR 552 Ca 0.32 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.06 1f4h h TYR 552 Cb 0.52 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.19 1f4h h TYR 552 CO -0.45 0.12 -0.01 -1.49 -0.00 0.00 0.00 178.16 176.33 1f4h h TRP 553 N 0.25 0.00 0.00 4.88 4.06 -0.62 0.65 115.95 125.18 1f4h h TRP 553 Ca 0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1f4h h TRP 553 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1f4h h TRP 553 CO -0.10 0.01 -1.00 0.00 -3.56 0.00 0.00 178.44 173.80 1f4h n GLN 554 N -3.22 0.44 -0.03 0.49 10.64 -0.34 -1.46 117.38 123.90 1f4h n GLN 554 Ca -0.02 0.05 -0.10 0.00 -1.83 0.00 0.00 57.00 55.11 1f4h n GLN 554 Cb 0.14 -1.70 -0.08 0.00 -0.86 0.00 0.00 30.24 27.73 1f4h n GLN 554 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1f4h h ALA 555 N 2.28 -0.06 -0.93 2.61 0.00 -1.07 -1.40 119.26 120.69 1f4h h ALA 555 Ca 0.00 -0.29 0.24 0.00 0.00 0.00 0.00 54.91 54.86 1f4h h ALA 555 Cb 0.86 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 1f4h h ALA 555 CO 0.00 -0.09 0.44 0.74 0.00 0.00 0.00 179.25 180.34 1f4h h PHE 556 N -0.94 0.73 -0.03 0.00 0.05 -0.94 0.39 116.94 116.20 1f4h h PHE 556 Ca -0.01 0.04 -0.24 0.00 3.82 0.00 0.00 57.97 61.59 1f4h h PHE 556 Cb 0.60 -0.18 0.01 0.00 2.00 0.00 0.00 35.95 38.38 1f4h h PHE 556 CO 0.15 -0.05 -0.93 0.00 -0.18 0.00 0.00 178.31 177.29 1f4h h ARG 557 N 0.41 0.57 0.00 1.51 3.08 -1.24 -3.33 114.38 115.38 1f4h h ARG 557 Ca 0.60 -0.57 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1f4h h ARG 557 Cb 1.17 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1f4h h ARG 557 CO -0.54 1.19 -0.26 0.37 -1.07 0.00 0.00 179.97 179.66 1f4h h GLN 558 N 0.34 0.00 -4.75 0.04 4.15 0.82 -3.44 115.11 112.27 1f4h h GLN 558 Ca -0.09 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.65 1f4h h GLN 558 Cb 1.57 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.96 1f4h h GLN 558 CO 0.17 0.26 -0.65 0.71 -1.93 0.00 0.00 178.83 177.40 1f4h s TYR 559 N -3.17 3.21 0.23 3.99 1.51 0.14 -5.02 117.35 118.24 1f4h s TYR 559 Ca 0.05 -1.46 -0.10 0.00 -1.01 0.00 0.00 57.07 54.55 1f4h s TYR 559 Cb 0.07 -2.21 0.33 0.00 -0.11 0.00 0.00 41.96 40.05 1f4h s TYR 559 CO 0.69 -0.72 1.64 -1.35 -1.11 0.00 0.00 175.55 174.70 1f4h h PRO 560 N 8.15 0.06 0.00 -1.71 0.11 -1.85 -0.23 132.00 136.53 1f4h h PRO 560 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1f4h h PRO 560 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1f4h h PRO 560 CO 0.58 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 178.95 1f4h n ARG 561 N -5.37 0.19 -3.42 1.05 1.74 -1.26 -4.19 116.66 105.40 1f4h n ARG 561 Ca 0.10 0.13 -0.44 0.00 -0.77 0.00 0.00 57.85 56.87 1f4h n ARG 561 Cb 0.40 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 1f4h n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1f4h s LEU 562 N -2.70 6.26 -0.32 0.55 1.43 -0.10 0.53 118.68 124.33 1f4h s LEU 562 Ca 0.15 -2.43 0.05 0.00 -1.03 0.00 0.00 54.13 50.87 1f4h s LEU 562 Cb 0.13 -2.13 0.55 0.00 0.03 0.00 0.00 46.19 44.78 1f4h s LEU 562 CO 0.31 -0.62 1.68 0.00 0.23 0.00 0.00 176.35 177.95 1f4h n GLN 563 N 4.28 2.43 0.00 1.70 6.02 -0.97 -4.60 117.38 126.25 1f4h n GLN 563 Ca 0.04 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.63 1f4h n GLN 563 Cb 0.43 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.72 1f4h n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f4h n GLY 564 N -0.53 -0.86 0.00 1.08 0.00 -1.26 -1.49 105.19 102.13 1f4h n GLY 564 Ca 0.42 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1f4h n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 565 N 0.00 -1.21 3.12 -0.02 0.00 -1.09 -1.63 105.19 104.36 1f4h n GLY 565 Ca 0.00 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 1f4h n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f4h s PHE 566 N -2.66 2.88 0.45 1.61 0.40 -0.06 -0.95 117.98 119.65 1f4h s PHE 566 Ca 0.00 -1.73 -0.23 0.00 -0.60 0.00 0.00 56.93 54.36 1f4h s PHE 566 Cb 0.00 -1.93 -0.08 0.00 0.51 0.00 0.00 43.02 41.52 1f4h s PHE 566 CO 0.00 -0.81 1.16 0.08 0.70 0.00 0.00 175.22 176.35 1f4h s VAL 567 N 1.27 3.16 -0.38 -0.44 1.01 -0.50 -1.76 120.40 122.76 1f4h s VAL 567 Ca 0.02 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 1f4h s VAL 567 Cb -0.14 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.84 1f4h s VAL 567 CO -0.11 -0.00 0.19 0.86 0.00 0.00 0.00 175.10 176.04 1f4h s TRP 568 N -1.55 3.29 0.00 5.22 -0.11 -0.94 -0.24 118.94 124.61 1f4h s TRP 568 Ca 0.63 -1.33 0.00 0.00 1.22 0.00 0.00 56.10 56.61 1f4h s TRP 568 Cb -0.28 -2.57 0.00 0.00 -1.50 0.00 0.00 33.47 29.12 1f4h s TRP 568 CO 0.34 -0.75 0.00 -0.40 -4.62 0.00 0.00 176.95 171.52 1f4h n ASP 569 N 4.90 0.00 0.12 5.86 3.85 -0.88 0.18 116.55 130.58 1f4h n ASP 569 Ca -0.11 -0.31 -0.06 0.00 -0.71 0.00 0.00 54.79 53.60 1f4h n ASP 569 Cb 0.44 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.19 1f4h n ASP 569 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.20 175.94 1f4h h TRP 570 N 0.31 -0.34 -4.31 2.11 -0.00 -1.02 -2.42 115.95 110.28 1f4h h TRP 570 Ca 0.00 -0.01 -0.60 0.00 -0.00 0.00 0.00 58.89 58.29 1f4h h TRP 570 Cb 0.00 0.11 -0.28 0.00 -0.00 0.00 0.00 29.16 28.99 1f4h h TRP 570 CO 0.00 -0.21 -0.85 0.08 -0.00 0.00 0.00 178.44 177.46 1f4h s VAL 571 N -2.76 1.66 0.15 2.65 1.01 -1.26 0.31 120.40 122.16 1f4h s VAL 571 Ca -0.05 -1.03 -0.33 0.00 0.00 0.00 0.00 61.98 60.56 1f4h s VAL 571 Cb 0.01 -1.41 -0.13 0.00 0.00 0.00 0.00 36.38 34.85 1f4h s VAL 571 CO 0.16 0.34 1.70 0.47 0.00 0.00 0.00 175.10 177.77 1f4h n ASP 572 N 2.23 3.61 -1.58 3.32 8.00 -0.49 -4.28 116.55 127.36 1f4h n ASP 572 Ca -0.16 1.05 -0.07 0.00 0.71 0.00 0.00 54.79 56.32 1f4h n ASP 572 Cb 0.53 -1.50 0.02 0.00 -0.02 0.00 0.00 41.12 40.16 1f4h n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f4h n GLN 573 N 4.23 1.33 -2.97 -1.24 6.02 0.30 -4.03 117.38 121.02 1f4h n GLN 573 Ca 0.17 -0.68 -0.30 0.00 -0.01 0.00 0.00 57.00 56.18 1f4h n GLN 573 Cb 0.32 -1.27 -0.04 0.00 1.02 0.00 0.00 30.24 30.28 1f4h n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1f4h s SER 574 N 1.03 6.54 0.07 1.08 1.04 -1.26 -4.86 113.70 117.35 1f4h s SER 574 Ca 0.13 1.08 -0.00 0.00 0.48 0.00 0.00 55.95 57.64 1f4h s SER 574 Cb 0.11 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 1f4h s SER 574 CO 0.00 -0.34 -0.03 -1.48 0.98 0.00 0.00 173.24 172.37 1f4h s LEU 575 N -3.69 2.42 0.07 2.42 0.05 -0.67 -4.34 118.68 114.94 1f4h s LEU 575 Ca 0.50 -1.03 -0.28 0.00 0.05 0.00 0.00 54.13 53.37 1f4h s LEU 575 Cb -0.10 0.13 -0.05 0.00 -2.05 0.00 0.00 46.19 44.12 1f4h s LEU 575 CO 0.29 -0.58 0.90 -0.63 -0.55 0.00 0.00 176.35 175.79 1f4h s ILE 576 N -3.85 4.64 0.12 1.48 1.01 -0.67 0.59 121.20 124.53 1f4h s ILE 576 Ca 0.10 1.92 0.11 0.00 0.00 0.00 0.00 60.65 62.78 1f4h s ILE 576 Cb 0.07 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1f4h s ILE 576 CO -0.07 0.30 -0.26 -0.54 0.00 0.00 0.00 174.94 174.37 1f4h s LYS 577 N 0.17 1.46 -0.09 2.79 1.02 0.14 -4.91 119.74 120.31 1f4h s LYS 577 Ca 0.45 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1f4h s LYS 577 Cb -0.22 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1f4h s LYS 577 CO 0.27 0.46 -0.08 0.71 -0.92 0.00 0.00 175.35 175.79 1f4h s TYR 578 N -1.05 2.91 0.94 3.18 1.51 -1.26 -0.25 117.35 123.32 1f4h s TYR 578 Ca 0.14 -0.14 -0.14 0.00 -1.01 0.00 0.00 57.07 55.92 1f4h s TYR 578 Cb -0.10 -1.76 0.20 0.00 -0.11 0.00 0.00 41.96 40.19 1f4h s TYR 578 CO 0.06 0.18 1.28 0.16 -1.11 0.00 0.00 175.55 176.12 1f4h s ASP 579 N -0.43 3.16 0.27 2.29 -4.77 0.40 -4.87 116.67 112.71 1f4h s ASP 579 Ca 0.06 0.06 -0.01 0.00 -3.30 0.00 0.00 52.55 49.37 1f4h s ASP 579 Cb -0.12 -0.10 0.49 0.00 -1.09 0.00 0.00 42.92 42.10 1f4h s ASP 579 CO 0.02 -2.69 1.83 -0.08 0.70 0.00 0.00 175.17 174.95 1f4h h GLU 580 N -1.51 0.90 -0.31 2.11 4.81 -2.00 0.37 114.58 118.94 1f4h h GLU 580 Ca -0.42 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1f4h h GLU 580 Cb 1.23 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1f4h h GLU 580 CO 0.34 0.60 0.00 0.27 -0.73 0.00 0.00 179.01 179.49 1f4h n ASN 581 N -4.66 2.09 -0.29 1.04 6.94 -1.26 -4.89 115.26 114.23 1f4h n ASN 581 Ca 0.17 -1.89 -0.03 0.00 -0.02 0.00 0.00 54.58 52.82 1f4h n ASN 581 Cb 0.32 -0.21 -0.01 0.00 -2.36 0.00 0.00 39.78 37.53 1f4h n ASN 581 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f4h n GLY 582 N 1.17 0.38 3.92 4.83 0.00 0.13 -5.04 105.19 110.58 1f4h n GLY 582 Ca 0.15 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 1f4h n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f4h s ASN 583 N -2.91 6.41 0.43 1.61 0.01 -1.25 -4.68 114.94 114.56 1f4h s ASN 583 Ca 0.00 0.52 -0.11 0.00 -0.71 0.00 0.00 52.86 52.56 1f4h s ASN 583 Cb 0.00 -2.06 -0.06 0.00 0.41 0.00 0.00 41.25 39.54 1f4h s ASN 583 CO 0.00 -0.09 0.81 -2.16 -1.51 0.00 0.00 177.10 174.15 1f4h s PRO 584 N -3.36 3.78 -0.02 -0.60 0.04 -1.26 0.15 135.00 133.73 1f4h s PRO 584 Ca 0.40 0.52 -0.21 0.00 0.04 0.00 0.00 61.00 61.75 1f4h s PRO 584 Cb -0.11 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 32.13 1f4h s PRO 584 CO 0.29 -0.10 0.46 1.67 0.04 0.00 0.00 177.00 179.37 1f4h s TRP 585 N -2.46 -0.38 -0.16 0.56 1.48 0.65 -4.87 118.94 113.76 1f4h s TRP 585 Ca 0.52 0.60 -0.26 0.00 -1.06 0.00 0.00 56.10 55.90 1f4h s TRP 585 Cb -0.10 0.23 -0.01 0.00 -1.16 0.00 0.00 33.47 32.43 1f4h s TRP 585 CO 0.33 -0.49 0.88 -1.12 -4.06 0.00 0.00 176.95 172.48 1f4h s SER 586 N -1.34 7.01 0.28 -2.66 0.01 -1.26 -0.69 113.70 115.05 1f4h s SER 586 Ca -0.12 1.25 0.07 0.00 1.31 0.00 0.00 55.95 58.46 1f4h s SER 586 Cb -0.03 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1f4h s SER 586 CO 0.06 -0.43 0.20 0.00 0.41 0.00 0.00 173.24 173.49 1f4h s ALA 587 N 2.21 3.62 0.00 1.44 0.00 0.20 -4.93 121.76 124.30 1f4h s ALA 587 Ca 0.40 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1f4h s ALA 587 Cb -0.17 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1f4h s ALA 587 CO 0.13 0.18 0.00 2.48 0.00 0.00 0.00 175.76 178.55 1f4h n TYR 588 N -1.21 0.00 -1.62 0.00 0.18 -1.26 -1.67 117.16 111.58 1f4h n TYR 588 Ca -0.06 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.28 1f4h n TYR 588 Cb 0.59 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.53 1f4h n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1f4h n GLY 589 N 0.00 -0.00 4.26 -7.48 0.00 -0.73 -0.56 105.19 100.68 1f4h n GLY 589 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1f4h n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 590 N 1.09 0.55 0.00 -0.02 0.00 -1.24 -4.35 105.19 101.22 1f4h n GLY 590 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 1f4h n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f4h n ASP 591 N 0.00 0.00 -1.17 1.61 9.92 0.28 -2.24 116.55 124.95 1f4h n ASP 591 Ca 0.00 -0.50 0.05 0.00 -0.53 0.00 0.00 54.79 53.81 1f4h n ASP 591 Cb 0.00 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.57 1f4h n ASP 591 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1f4h n PHE 592 N -0.81 0.02 -0.83 1.24 3.01 -1.26 -4.85 117.46 113.97 1f4h n PHE 592 Ca 0.05 -0.90 0.00 0.00 1.01 0.00 0.00 57.45 57.62 1f4h n PHE 592 Cb 0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 1f4h n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f4h n GLY 593 N -0.12 0.65 3.63 1.37 0.00 -0.95 -4.82 105.19 104.94 1f4h n GLY 593 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1f4h n GLY 593 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1f4h n ASP 594 N -0.01 3.53 -3.95 1.61 5.75 -1.23 -4.98 116.55 117.27 1f4h n ASP 594 Ca 0.00 0.70 -0.19 0.00 -0.01 0.00 0.00 54.79 55.29 1f4h n ASP 594 Cb 0.00 -1.46 -0.16 0.00 -1.03 0.00 0.00 41.12 38.48 1f4h n ASP 594 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1f4h s THR 595 N 5.59 0.63 0.80 2.12 2.01 -1.26 -3.64 115.64 121.88 1f4h s THR 595 Ca 0.95 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 62.57 1f4h s THR 595 Cb -0.53 -0.59 0.19 0.00 0.01 0.00 0.00 72.50 71.57 1f4h s THR 595 CO 0.44 0.22 1.03 -0.81 -0.69 0.00 0.00 174.62 174.81 1f4h n PRO 596 N 3.55 -1.22 -3.60 4.92 -0.04 -1.26 -5.07 135.00 132.28 1f4h n PRO 596 Ca -0.20 -1.60 -0.11 0.00 -0.04 0.00 0.00 63.50 61.55 1f4h n PRO 596 Cb 0.53 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.84 1f4h n PRO 596 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1f4h s ASN 597 N -4.73 -0.30 -0.10 3.54 4.22 -1.26 -4.58 114.94 111.73 1f4h s ASN 597 Ca 0.59 -0.22 0.14 0.00 -2.14 0.00 0.00 52.86 51.23 1f4h s ASN 597 Cb -0.02 0.49 0.40 0.00 1.28 0.00 0.00 41.25 43.40 1f4h s ASN 597 CO 0.42 -0.85 1.32 0.47 -2.04 0.00 0.00 177.10 176.42 1f4h n ASP 598 N -0.16 3.34 0.00 3.54 9.92 -0.46 -4.89 116.55 127.83 1f4h n ASP 598 Ca -0.16 -2.60 0.00 0.00 -0.53 0.00 0.00 54.79 51.49 1f4h n ASP 598 Cb 0.63 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1f4h n ASP 598 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1f4h n ARG 599 N -0.21 0.00 0.02 -1.24 1.85 -1.26 -1.74 116.66 114.08 1f4h n ARG 599 Ca 0.16 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.12 1f4h n ARG 599 Cb 0.67 0.00 0.47 0.00 -1.05 0.00 0.00 32.46 32.55 1f4h n ARG 599 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1f4h n GLN 600 N 14.00 0.04 0.00 2.89 3.00 -1.26 -1.78 117.38 134.27 1f4h n GLN 600 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1f4h n GLN 600 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 28.68 1f4h n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1f4h n PHE 601 N -1.63 0.00 -0.84 1.08 3.01 -0.71 0.02 117.46 118.40 1f4h n PHE 601 Ca 0.05 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.59 1f4h n PHE 601 Cb 0.27 -0.13 0.40 0.00 -0.01 0.00 0.00 39.48 40.01 1f4h n PHE 601 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1f4h s MET 603 N -2.55 1.56 -0.01 0.00 -1.94 0.10 0.11 119.30 116.58 1f4h s MET 603 Ca 0.54 -2.46 0.01 0.00 -1.71 0.00 0.00 55.69 52.07 1f4h s MET 603 Cb 0.40 -2.45 0.01 0.00 2.01 0.00 0.00 34.83 34.80 1f4h s MET 603 CO 0.18 -1.26 0.74 0.09 -0.01 0.00 0.00 175.02 174.77 1f4h n ASN 604 N 2.86 0.85 -4.69 3.03 3.02 -1.26 -3.51 115.26 115.56 1f4h n ASN 604 Ca 0.18 -1.52 -0.29 0.00 -0.03 0.00 0.00 54.58 52.91 1f4h n ASN 604 Cb 0.38 -0.03 0.16 0.00 -0.61 0.00 0.00 39.78 39.68 1f4h n ASN 604 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1f4h s GLY 605 N -0.55 1.59 0.07 7.41 0.00 -1.25 -2.07 107.32 112.53 1f4h s GLY 605 Ca 0.01 -0.20 0.22 0.00 0.00 0.00 0.00 44.72 44.76 1f4h s GLY 605 CO 0.00 0.35 0.86 1.04 0.00 0.00 0.00 173.10 175.36 1f4h n LEU 606 N -4.05 0.51 -4.15 0.66 4.77 0.15 -4.71 117.00 110.18 1f4h n LEU 606 Ca 0.06 0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 1f4h n LEU 606 Cb 0.56 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1f4h n LEU 606 CO 0.56 -0.04 -0.44 0.68 -1.33 0.00 0.00 177.39 176.82 1f4h s VAL 607 N -3.34 0.99 0.70 4.08 -7.23 -0.75 -0.54 120.40 114.31 1f4h s VAL 607 Ca -0.01 -1.31 -0.13 0.00 -1.81 0.00 0.00 61.98 58.72 1f4h s VAL 607 Cb 0.13 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 36.06 1f4h s VAL 607 CO 0.83 -0.30 1.09 -0.36 -0.31 0.00 0.00 175.10 176.06 1f4h s PHE 608 N -1.44 2.69 0.59 2.82 0.40 0.19 -1.40 117.98 121.84 1f4h s PHE 608 Ca -0.02 1.54 0.29 0.00 -0.60 0.00 0.00 56.93 58.13 1f4h s PHE 608 Cb -0.09 -3.08 1.32 0.00 0.51 0.00 0.00 43.02 41.68 1f4h s PHE 608 CO 0.02 -1.62 1.70 0.00 0.70 0.00 0.00 175.22 176.01 1f4h h ALA 609 N -0.42 2.49 -0.23 5.36 0.00 -1.86 3.60 119.26 128.21 1f4h h ALA 609 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1f4h h ALA 609 Cb 1.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1f4h h ALA 609 CO 0.54 -1.11 0.00 -0.40 0.00 0.00 0.00 179.25 178.28 1f4h n ASP 610 N -3.57 2.02 -0.33 0.00 3.85 -1.26 -4.53 116.55 112.72 1f4h n ASP 610 Ca 0.14 -1.79 -0.04 0.00 -0.71 0.00 0.00 54.79 52.39 1f4h n ASP 610 Cb 0.99 -0.14 -0.02 0.00 -1.35 0.00 0.00 41.12 40.60 1f4h n ASP 610 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1f4h n ARG 611 N 0.56 -0.45 -3.16 0.11 3.00 1.19 -4.99 116.66 112.92 1f4h n ARG 611 Ca 0.16 0.55 -0.39 0.00 -0.01 0.00 0.00 57.85 58.17 1f4h n ARG 611 Cb 0.38 -4.21 -0.06 0.00 0.00 0.00 0.00 32.46 28.57 1f4h n ARG 611 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1f4h s THR 612 N -2.08 4.60 0.54 0.55 -4.23 -1.21 -4.76 115.64 109.05 1f4h s THR 612 Ca 0.00 1.38 -0.19 0.00 -1.18 0.00 0.00 61.69 61.70 1f4h s THR 612 Cb 0.00 -3.98 -0.06 0.00 1.34 0.00 0.00 72.50 69.81 1f4h s THR 612 CO 0.00 0.51 1.11 -2.16 -0.54 0.00 0.00 174.62 173.54 1f4h s PRO 613 N -1.21 3.38 0.56 3.99 0.04 -1.26 0.57 135.00 141.06 1f4h s PRO 613 Ca 0.33 1.56 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 1f4h s PRO 613 Cb -0.20 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1f4h s PRO 613 CO 0.22 -0.82 0.83 -1.01 0.04 0.00 0.00 177.00 176.27 1f4h s HIS 614 N -1.85 3.12 0.26 0.56 3.76 0.30 -4.77 115.29 116.67 1f4h s HIS 614 Ca 0.71 0.38 0.02 0.00 -0.15 0.00 0.00 55.06 56.03 1f4h s HIS 614 Cb -0.22 -2.70 0.34 0.00 1.11 0.00 0.00 32.58 31.11 1f4h s HIS 614 CO 0.27 -0.80 1.66 -1.35 -0.85 0.00 0.00 174.74 173.68 1f4h h PRO 615 N -0.04 0.44 -1.05 8.40 0.11 -1.93 -3.00 132.00 134.92 1f4h h PRO 615 Ca -0.45 -0.20 0.28 0.00 0.11 0.00 0.00 66.00 65.74 1f4h h PRO 615 Cb 1.27 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.27 1f4h h PRO 615 CO 0.58 0.74 0.66 0.00 -0.21 0.00 0.00 178.00 179.77 1f4h h ALA 616 N 1.24 2.12 -0.95 -0.75 0.00 -1.87 0.11 119.26 119.17 1f4h h ALA 616 Ca 0.04 0.09 0.27 0.00 0.00 0.00 0.00 54.91 55.31 1f4h h ALA 616 Cb 0.81 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1f4h h ALA 616 CO 0.07 -0.58 0.68 1.25 0.00 0.00 0.00 179.25 180.66 1f4h h LEU 617 N 0.42 0.05 -0.06 0.00 5.85 -1.73 0.84 115.31 120.69 1f4h h LEU 617 Ca 0.64 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 59.12 1f4h h LEU 617 Cb 1.51 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.56 1f4h h LEU 617 CO -0.38 0.02 -0.92 0.74 -0.34 0.00 0.00 178.44 177.56 1f4h h THR 618 N 0.05 1.28 -0.03 1.05 2.02 -0.97 -1.93 112.91 114.38 1f4h h THR 618 Ca 0.46 -2.12 0.03 0.00 0.77 0.00 0.00 66.41 65.55 1f4h h THR 618 Cb 1.75 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 70.35 1f4h h THR 618 CO -0.03 0.66 -0.19 -0.08 0.37 0.00 0.00 175.52 176.25 1f4h h GLU 619 N 0.43 -0.29 -0.17 6.66 4.57 -0.96 -2.33 114.58 122.49 1f4h h GLU 619 Ca -0.10 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1f4h h GLU 619 Cb 1.57 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.19 1f4h h GLU 619 CO 0.18 -0.19 -0.18 0.00 -1.18 0.00 0.00 179.01 177.65 1f4h h ALA 620 N 0.62 -0.39 -0.78 2.92 0.00 -1.28 -2.20 119.26 118.15 1f4h h ALA 620 Ca 0.07 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1f4h h ALA 620 Cb 0.39 0.90 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 1f4h h ALA 620 CO -0.20 -0.48 -0.16 1.17 0.00 0.00 0.00 179.25 179.58 1f4h n LYS 621 N -3.57 -0.07 -0.01 0.00 4.81 -0.73 -0.04 118.16 118.54 1f4h n LYS 621 Ca -0.01 1.22 -0.17 0.00 -0.87 0.00 0.00 58.31 58.48 1f4h n LYS 621 Cb 0.10 -1.83 -0.09 0.00 0.02 0.00 0.00 35.03 33.22 1f4h n LYS 621 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1f4h h HIS 622 N 0.00 0.70 -0.40 5.64 2.76 -1.02 -2.20 115.15 120.63 1f4h h HIS 622 Ca 0.39 -0.34 -0.12 0.00 -2.20 0.00 0.00 60.37 58.11 1f4h h HIS 622 Cb 0.64 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1f4h h HIS 622 CO -0.57 1.13 -0.23 1.96 -1.30 0.00 0.00 177.93 178.92 1f4h h GLN 623 N 0.07 0.80 0.00 5.26 1.08 -0.96 -2.13 115.11 119.22 1f4h h GLN 623 Ca -0.05 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1f4h h GLN 623 Cb 1.24 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1f4h h GLN 623 CO 0.12 0.95 0.00 1.04 -0.95 0.00 0.00 178.83 179.99 1f4h n GLN 624 N -4.11 0.98 -1.75 1.46 6.02 0.94 -4.88 117.38 116.04 1f4h n GLN 624 Ca -0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1f4h n GLN 624 Cb 0.44 -1.26 0.05 0.00 1.02 0.00 0.00 30.24 30.49 1f4h n GLN 624 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f4h n GLN 625 N -0.76 1.64 -0.00 -1.09 10.64 -0.80 -4.83 117.38 122.17 1f4h n GLN 625 Ca 0.12 0.61 0.14 0.00 -1.83 0.00 0.00 57.00 56.04 1f4h n GLN 625 Cb 0.06 -2.59 0.56 0.00 -0.86 0.00 0.00 30.24 27.41 1f4h n GLN 625 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1f4h n PHE 626 N -1.15 0.01 -4.81 2.61 3.01 -1.26 -4.78 117.46 111.09 1f4h n PHE 626 Ca 0.11 -0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.30 1f4h n PHE 626 Cb 0.45 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.76 1f4h n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1f4h s PHE 627 N -1.99 1.77 0.02 1.38 0.40 -1.26 0.28 117.98 118.59 1f4h s PHE 627 Ca 0.39 -0.61 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 1f4h s PHE 627 Cb 0.21 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 1f4h s PHE 627 CO 0.33 -0.25 -0.16 -0.65 0.70 0.00 0.00 175.22 175.19 1f4h s GLN 628 N 0.33 2.20 0.03 0.44 -1.52 -0.67 -4.85 119.66 115.62 1f4h s GLN 628 Ca -0.11 -0.91 0.04 0.00 -1.95 0.00 0.00 55.36 52.44 1f4h s GLN 628 Cb -0.14 -2.26 -0.02 0.00 -0.22 0.00 0.00 33.01 30.37 1f4h s GLN 628 CO 0.04 0.56 -0.13 -0.06 -0.25 0.00 0.00 175.29 175.45 1f4h s PHE 629 N -0.92 1.14 0.02 0.91 0.40 -1.26 -0.37 117.98 117.90 1f4h s PHE 629 Ca 0.15 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1f4h s PHE 629 Cb -0.11 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.73 1f4h s PHE 629 CO 0.05 0.02 -0.06 1.03 0.70 0.00 0.00 175.22 176.96 1f4h s ARG 630 N -1.00 0.44 -0.16 0.44 0.52 0.17 -4.95 118.95 114.41 1f4h s ARG 630 Ca 0.01 -0.44 -0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1f4h s ARG 630 Cb -0.07 -0.31 -0.00 0.00 0.52 0.00 0.00 34.95 35.09 1f4h s ARG 630 CO 0.01 0.07 -0.15 -1.17 0.02 0.00 0.00 175.30 174.08 1f4h s LEU 631 N -0.79 2.50 -0.32 2.53 2.96 -1.26 0.13 118.68 124.43 1f4h s LEU 631 Ca -0.04 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1f4h s LEU 631 Cb -0.06 -1.57 0.10 0.00 0.50 0.00 0.00 46.19 45.15 1f4h s LEU 631 CO 0.00 0.08 0.05 -0.55 -1.32 0.00 0.00 176.35 174.61 1f4h s SER 632 N 0.87 4.45 1.58 3.68 0.15 0.41 -4.99 113.70 119.84 1f4h s SER 632 Ca -0.04 -1.88 0.00 0.00 0.70 0.00 0.00 55.95 54.72 1f4h s SER 632 Cb -0.15 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1f4h s SER 632 CO -0.01 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1f4h n GLY 633 N 4.48 3.33 1.15 9.45 0.00 -1.26 -1.79 105.19 120.55 1f4h n GLY 633 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1f4h n GLY 633 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLN 634 N 12.07 2.44 -4.60 1.61 10.64 -1.26 -4.92 117.38 133.37 1f4h n GLN 634 Ca 0.00 -3.02 -0.33 0.00 -1.83 0.00 0.00 57.00 51.82 1f4h n GLN 634 Cb 0.00 -1.87 -0.15 0.00 -0.86 0.00 0.00 30.24 27.35 1f4h n GLN 634 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1f4h s THR 635 N -3.05 2.68 -0.16 -0.39 2.01 -0.74 0.31 115.64 116.29 1f4h s THR 635 Ca 0.45 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 1f4h s THR 635 Cb 0.38 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1f4h s THR 635 CO 0.05 0.52 0.11 -0.63 -0.69 0.00 0.00 174.62 173.98 1f4h s ILE 636 N 0.73 5.24 -0.27 1.82 1.01 0.88 -0.45 121.20 130.16 1f4h s ILE 636 Ca -0.07 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 1f4h s ILE 636 Cb -0.16 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1f4h s ILE 636 CO 0.01 0.51 -0.00 -0.70 0.00 0.00 0.00 174.94 174.76 1f4h s GLU 637 N -0.17 2.92 -0.20 2.79 2.12 0.34 0.18 118.70 126.68 1f4h s GLU 637 Ca 0.10 -0.94 -0.08 0.00 0.36 0.00 0.00 54.97 54.40 1f4h s GLU 637 Cb -0.12 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1f4h s GLU 637 CO 0.01 -0.43 0.08 0.08 -0.54 0.00 0.00 175.26 174.47 1f4h s VAL 638 N 1.39 4.86 -0.13 3.70 1.01 -0.72 0.43 120.40 130.92 1f4h s VAL 638 Ca 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1f4h s VAL 638 Cb -0.17 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1f4h s VAL 638 CO -0.02 0.42 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 1f4h s THR 639 N 0.68 2.31 0.10 3.92 2.01 0.50 -1.05 115.64 124.11 1f4h s THR 639 Ca 0.04 -0.90 -0.22 0.00 0.31 0.00 0.00 61.69 60.92 1f4h s THR 639 Cb -0.13 -1.93 -0.07 0.00 0.01 0.00 0.00 72.50 70.38 1f4h s THR 639 CO 0.02 0.54 0.65 -0.55 -0.69 0.00 0.00 174.62 174.59 1f4h s SER 640 N 0.68 7.19 0.00 3.53 0.15 0.20 -1.66 113.70 123.78 1f4h s SER 640 Ca -0.09 1.41 0.10 0.00 0.70 0.00 0.00 55.95 58.07 1f4h s SER 640 Cb -0.16 -2.41 0.28 0.00 -1.71 0.00 0.00 66.02 62.02 1f4h s SER 640 CO 0.02 0.24 1.22 -0.62 1.20 0.00 0.00 173.24 175.30 1f4h n GLU 641 N 1.74 2.73 -2.63 5.44 1.02 0.14 -2.16 120.64 126.94 1f4h n GLU 641 Ca -0.08 -1.98 -0.38 0.00 -0.02 0.00 0.00 57.16 54.70 1f4h n GLU 641 Cb 0.50 -1.26 -0.05 0.00 -0.02 0.00 0.00 31.44 30.61 1f4h n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1f4h s TYR 642 N -0.99 3.55 -0.30 -0.32 1.51 -1.26 -4.83 117.35 114.71 1f4h s TYR 642 Ca 0.22 1.73 0.18 0.00 -1.01 0.00 0.00 57.07 58.19 1f4h s TYR 642 Cb 0.12 -3.08 -0.25 0.00 -0.11 0.00 0.00 41.96 38.63 1f4h s TYR 642 CO 0.15 -0.23 0.52 1.28 -1.11 0.00 0.00 175.55 176.17 1f4h n LEU 643 N 0.57 0.29 0.00 -1.29 4.77 -1.26 -0.90 117.00 119.18 1f4h n LEU 643 Ca 0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1f4h n LEU 643 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1f4h n LEU 643 CO 0.47 0.07 -0.33 0.49 -1.33 0.00 0.00 177.39 176.76 1f4h n PHE 644 N -1.89 0.00 -3.78 -1.77 3.01 -1.26 -4.85 117.46 106.91 1f4h n PHE 644 Ca -0.01 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.24 1f4h n PHE 644 Cb 0.41 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 1f4h n PHE 644 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1f4h s ARG 645 N -1.66 2.60 -0.01 -1.08 1.70 -1.26 -4.90 118.95 114.34 1f4h s ARG 645 Ca 0.00 -1.42 0.01 0.00 -0.47 0.00 0.00 55.73 53.86 1f4h s ARG 645 Cb 0.00 -2.39 -0.04 0.00 -0.57 0.00 0.00 34.95 31.95 1f4h s ARG 645 CO 0.00 0.00 -0.01 -1.58 -1.08 0.00 0.00 175.30 172.63 1f4h s HIS 646 N -2.38 3.05 -0.66 5.89 5.65 -1.26 -3.60 115.29 121.98 1f4h s HIS 646 Ca 0.43 0.07 -0.26 0.00 0.25 0.00 0.00 55.06 55.55 1f4h s HIS 646 Cb -0.04 -1.67 -0.08 0.00 -1.18 0.00 0.00 32.58 29.60 1f4h s HIS 646 CO 0.26 0.44 2.28 -1.54 -0.65 0.00 0.00 174.74 175.54 1f4h s SER 647 N -1.45 4.45 -0.02 9.88 1.04 -0.50 -4.55 113.70 122.53 1f4h s SER 647 Ca 0.18 0.43 0.04 0.00 0.48 0.00 0.00 55.95 57.08 1f4h s SER 647 Cb -0.11 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.53 1f4h s SER 647 CO 0.09 -3.13 0.87 -0.90 0.98 0.00 0.00 173.24 171.15 1f4h n ASP 648 N 16.18 0.91 -2.75 7.02 5.68 -1.26 -4.49 116.55 137.84 1f4h n ASP 648 Ca 0.38 -1.89 -0.03 0.00 -0.50 0.00 0.00 54.79 52.75 1f4h n ASP 648 Cb 0.50 -0.14 0.07 0.00 -1.14 0.00 0.00 41.12 40.41 1f4h n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1f4h n ASN 649 N -0.39 0.50 -3.99 -1.12 5.15 -1.26 -5.02 115.26 109.13 1f4h n ASN 649 Ca 0.03 -2.26 -0.17 0.00 -0.60 0.00 0.00 54.58 51.58 1f4h n ASN 649 Cb 0.52 -0.07 -0.15 0.00 -0.53 0.00 0.00 39.78 39.55 1f4h n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1f4h s GLU 650 N -2.37 0.61 -0.09 1.20 8.01 -1.26 -3.95 118.70 120.85 1f4h s GLU 650 Ca 0.22 -0.26 -0.06 0.00 0.01 0.00 0.00 54.97 54.89 1f4h s GLU 650 Cb 0.39 -0.59 0.04 0.00 -4.31 0.00 0.00 34.13 29.65 1f4h s GLU 650 CO -0.05 0.15 0.22 -1.17 0.01 0.00 0.00 175.26 174.43 1f4h s LEU 651 N -0.14 0.75 -0.15 1.80 2.96 0.57 -2.91 118.68 121.56 1f4h s LEU 651 Ca 0.02 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1f4h s LEU 651 Cb -0.03 0.70 -0.03 0.00 0.50 0.00 0.00 46.19 47.33 1f4h s LEU 651 CO -0.00 -0.13 0.02 -0.22 -1.32 0.00 0.00 176.35 174.70 1f4h s LEU 652 N 0.78 3.59 -0.16 -0.68 2.96 -0.86 0.29 118.68 124.60 1f4h s LEU 652 Ca -0.05 0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1f4h s LEU 652 Cb -0.07 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1f4h s LEU 652 CO -0.05 0.23 -0.06 -2.28 -1.32 0.00 0.00 176.35 172.87 1f4h s HIS 653 N 0.03 2.95 0.07 5.38 5.65 0.56 0.06 115.29 130.00 1f4h s HIS 653 Ca 0.03 -0.49 0.08 0.00 0.25 0.00 0.00 55.06 54.93 1f4h s HIS 653 Cb -0.13 -1.95 -0.03 0.00 -1.18 0.00 0.00 32.58 29.29 1f4h s HIS 653 CO 0.02 -0.16 -0.21 1.67 -0.65 0.00 0.00 174.74 175.41 1f4h s TRP 654 N 0.53 1.81 -0.09 3.88 1.48 0.53 -0.81 118.94 126.27 1f4h s TRP 654 Ca -0.05 -0.39 -0.11 0.00 -1.06 0.00 0.00 56.10 54.49 1f4h s TRP 654 Cb -0.15 -1.04 0.03 0.00 -1.16 0.00 0.00 33.47 31.15 1f4h s TRP 654 CO 0.03 0.15 0.29 0.00 -4.06 0.00 0.00 176.95 173.36 1f4h s MET 655 N -1.52 0.41 -0.07 3.25 0.23 0.97 -1.50 119.30 121.06 1f4h s MET 655 Ca 0.07 0.27 0.01 0.00 -1.03 0.00 0.00 55.69 55.01 1f4h s MET 655 Cb -0.09 0.19 -0.03 0.00 -1.53 0.00 0.00 34.83 33.37 1f4h s MET 655 CO 0.03 -0.07 -0.06 0.08 -2.03 0.00 0.00 175.02 172.97 1f4h s VAL 656 N -0.17 3.75 -0.06 5.16 1.01 0.20 -1.00 120.40 129.29 1f4h s VAL 656 Ca -0.03 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 1f4h s VAL 656 Cb -0.03 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1f4h s VAL 656 CO 0.01 0.60 0.35 0.00 0.00 0.00 0.00 175.10 176.06 1f4h s ALA 657 N -0.80 -0.88 -0.37 5.51 0.00 -0.73 -0.95 121.76 123.54 1f4h s ALA 657 Ca 0.12 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1f4h s ALA 657 Cb -0.11 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1f4h s ALA 657 CO 0.01 -0.24 0.22 -1.17 0.00 0.00 0.00 175.76 174.59 1f4h s LEU 658 N -0.82 4.67 -1.21 0.00 2.96 0.36 -1.78 118.68 122.85 1f4h s LEU 658 Ca -0.09 -0.80 -0.28 0.00 -0.22 0.00 0.00 54.13 52.74 1f4h s LEU 658 Cb -0.04 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1f4h s LEU 658 CO 0.03 -0.34 0.69 0.47 -1.32 0.00 0.00 176.35 175.88 1f4h n ASP 659 N 5.05 -4.21 -1.19 3.68 8.00 -0.87 -0.82 116.55 126.18 1f4h n ASP 659 Ca -0.12 -1.20 -0.15 0.00 0.71 0.00 0.00 54.79 54.03 1f4h n ASP 659 Cb 0.47 -2.29 -0.06 0.00 -0.02 0.00 0.00 41.12 39.22 1f4h n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f4h n GLY 660 N -1.97 1.42 2.97 0.44 0.00 -1.26 -4.89 105.19 101.90 1f4h n GLY 660 Ca -0.12 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 1f4h n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f4h s LYS 661 N -3.37 1.54 0.46 1.61 1.02 -0.00 -4.74 119.74 116.25 1f4h s LYS 661 Ca 0.00 -1.50 -0.24 0.00 0.02 0.00 0.00 55.97 54.26 1f4h s LYS 661 Cb 0.00 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 1f4h s LYS 661 CO 0.00 -0.81 1.11 -2.30 -0.92 0.00 0.00 175.35 172.43 1f4h n PRO 662 N 4.45 1.49 0.00 -1.68 -0.02 -1.26 -0.49 135.00 137.48 1f4h n PRO 662 Ca -0.03 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1f4h n PRO 662 Cb 0.42 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1f4h n PRO 662 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1f4h n LEU 663 N 0.12 0.05 -3.65 2.45 4.77 -0.13 -4.83 117.00 115.79 1f4h n LEU 663 Ca 0.09 -0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 55.85 1f4h n LEU 663 Cb 0.41 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1f4h n LEU 663 CO 0.56 0.01 1.18 0.00 -1.33 0.00 0.00 177.39 177.81 1f4h s ALA 664 N -0.31 -2.15 0.24 -1.18 0.00 -1.24 -4.90 121.76 112.22 1f4h s ALA 664 Ca 0.00 1.91 -0.22 0.00 0.00 0.00 0.00 51.96 53.66 1f4h s ALA 664 Cb 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.87 1f4h s ALA 664 CO 0.00 -0.31 0.71 -1.54 0.00 0.00 0.00 175.76 174.62 1f4h s SER 665 N -1.25 -0.33 -0.05 0.00 1.04 -1.26 -0.63 113.70 111.22 1f4h s SER 665 Ca 0.10 -0.43 -0.31 0.00 0.48 0.00 0.00 55.95 55.79 1f4h s SER 665 Cb -0.01 0.67 0.12 0.00 0.10 0.00 0.00 66.02 66.90 1f4h s SER 665 CO -0.07 -1.21 1.15 -0.83 0.98 0.00 0.00 173.24 173.26 1f4h s GLY 666 N -2.87 -0.35 0.02 7.32 0.00 -0.56 -4.99 107.32 105.89 1f4h s GLY 666 Ca 0.08 0.98 0.04 0.00 0.00 0.00 0.00 44.72 45.82 1f4h s GLY 666 CO 0.01 0.28 -0.11 -0.54 0.00 0.00 0.00 173.10 172.74 1f4h s GLU 667 N -2.66 0.77 -0.25 2.90 2.02 -1.25 -0.35 118.70 119.88 1f4h s GLU 667 Ca 0.11 -0.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 1f4h s GLU 667 Cb 0.01 -0.72 0.12 0.00 0.10 0.00 0.00 34.13 33.64 1f4h s GLU 667 CO -0.04 0.18 0.30 0.08 0.02 0.00 0.00 175.26 175.80 1f4h s VAL 668 N -0.72 -0.45 0.53 2.63 1.01 0.11 -4.94 120.40 118.56 1f4h s VAL 668 Ca 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1f4h s VAL 668 Cb -0.07 -0.84 -0.11 0.00 0.00 0.00 0.00 36.38 35.36 1f4h s VAL 668 CO 0.01 -0.27 0.33 -0.81 0.00 0.00 0.00 175.10 174.36 1f4h n PRO 669 N 5.33 0.36 -4.78 2.72 -0.04 -1.26 -2.03 135.00 135.30 1f4h n PRO 669 Ca -0.03 0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 1f4h n PRO 669 Cb 0.49 -1.46 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1f4h n PRO 669 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1f4h s LEU 670 N 2.16 2.79 -0.72 1.53 1.43 -1.15 -4.81 118.68 119.91 1f4h s LEU 670 Ca 0.65 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1f4h s LEU 670 Cb -0.48 -1.61 0.18 0.00 0.03 0.00 0.00 46.19 44.31 1f4h s LEU 670 CO 0.58 0.24 0.54 -0.62 0.23 0.00 0.00 176.35 177.33 1f4h s ASP 671 N -0.11 5.25 -0.08 2.29 2.15 -1.26 -4.58 116.67 120.33 1f4h s ASP 671 Ca -0.01 -3.41 0.03 0.00 0.43 0.00 0.00 52.55 49.58 1f4h s ASP 671 Cb -0.14 -1.79 0.01 0.00 -0.30 0.00 0.00 42.92 40.70 1f4h s ASP 671 CO 0.03 -0.22 -0.16 -0.69 -0.17 0.00 0.00 175.17 173.97 1f4h s VAL 672 N -0.87 1.43 0.62 1.11 1.01 -1.26 -4.90 120.40 117.54 1f4h s VAL 672 Ca 0.22 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1f4h s VAL 672 Cb -0.13 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.02 1f4h s VAL 672 CO -0.09 0.42 0.88 0.00 0.00 0.00 0.00 175.10 176.31 1f4h s ALA 673 N 0.62 3.60 0.36 5.51 0.00 -1.26 -1.41 121.76 129.17 1f4h s ALA 673 Ca -0.15 -1.20 -0.27 0.00 0.00 0.00 0.00 51.96 50.34 1f4h s ALA 673 Cb -0.16 -2.27 -0.12 0.00 0.00 0.00 0.00 23.12 20.57 1f4h s ALA 673 CO 0.05 -1.00 1.22 -2.30 0.00 0.00 0.00 175.76 173.72 1f4h n PRO 674 N -2.59 1.91 -2.26 0.00 -0.02 -1.24 -0.65 135.00 130.15 1f4h n PRO 674 Ca 0.08 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 62.10 1f4h n PRO 674 Cb 0.60 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 1f4h n PRO 674 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1f4h n GLN 675 N 0.45 -1.98 -4.67 -0.52 1.13 -0.08 -4.92 117.38 106.80 1f4h n GLN 675 Ca 0.06 0.71 -0.30 0.00 -1.94 0.00 0.00 57.00 55.53 1f4h n GLN 675 Cb 0.36 -5.26 -0.09 0.00 0.11 0.00 0.00 30.24 25.37 1f4h n GLN 675 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1f4h s GLY 676 N -2.06 2.77 0.32 1.08 0.00 0.17 -4.83 107.32 104.78 1f4h s GLY 676 Ca 0.00 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.74 1f4h s GLY 676 CO 0.00 -2.09 0.13 0.54 0.00 0.00 0.00 173.10 171.68 1f4h s LYS 677 N -3.81 2.41 -0.22 2.90 1.02 -1.26 0.58 119.74 121.37 1f4h s LYS 677 Ca 0.17 -1.48 -0.17 0.00 0.02 0.00 0.00 55.97 54.51 1f4h s LYS 677 Cb 0.04 -2.21 0.06 0.00 -0.52 0.00 0.00 37.83 35.20 1f4h s LYS 677 CO 0.09 0.17 0.56 -1.14 -0.92 0.00 0.00 175.35 174.10 1f4h s GLN 678 N -3.83 0.61 -0.20 1.68 0.74 -0.21 -4.74 119.66 113.72 1f4h s GLN 678 Ca 0.37 0.88 -0.07 0.00 0.05 0.00 0.00 55.36 56.59 1f4h s GLN 678 Cb -0.04 0.21 -0.03 0.00 1.10 0.00 0.00 33.01 34.25 1f4h s GLN 678 CO 0.23 -0.11 0.04 -0.51 -0.55 0.00 0.00 175.29 174.39 1f4h s LEU 679 N 0.82 3.57 -0.37 3.68 1.43 -1.26 -1.76 118.68 124.80 1f4h s LEU 679 Ca -0.04 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1f4h s LEU 679 Cb -0.05 -1.91 0.11 0.00 0.03 0.00 0.00 46.19 44.37 1f4h s LEU 679 CO -0.07 0.11 0.13 -0.63 0.23 0.00 0.00 176.35 176.13 1f4h s ILE 680 N 0.73 1.56 -0.15 -0.59 1.01 0.13 -4.99 121.20 118.90 1f4h s ILE 680 Ca 0.02 -2.11 -0.21 0.00 0.00 0.00 0.00 60.65 58.36 1f4h s ILE 680 Cb -0.14 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1f4h s ILE 680 CO 0.02 -0.72 0.60 -0.70 0.00 0.00 0.00 174.94 174.15 1f4h s GLU 681 N 0.95 4.30 0.47 2.79 2.12 -1.26 -0.08 118.70 127.98 1f4h s GLU 681 Ca 0.13 0.62 -0.19 0.00 0.36 0.00 0.00 54.97 55.89 1f4h s GLU 681 Cb -0.20 -3.51 -0.09 0.00 0.26 0.00 0.00 34.13 30.58 1f4h s GLU 681 CO -0.12 -0.06 0.96 -0.51 -0.54 0.00 0.00 175.26 174.99 1f4h s LEU 682 N 1.31 3.79 1.11 2.70 1.43 0.15 -5.00 118.68 124.16 1f4h s LEU 682 Ca 0.30 1.62 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 1f4h s LEU 682 Cb -0.16 -4.51 0.25 0.00 0.03 0.00 0.00 46.19 41.80 1f4h s LEU 682 CO 0.12 -0.47 1.05 -2.16 0.23 0.00 0.00 176.35 175.12 1f4h s PRO 683 N -3.62 -0.48 0.19 1.29 0.04 -1.26 -4.86 135.00 126.30 1f4h s PRO 683 Ca 0.60 0.76 -0.33 0.00 0.04 0.00 0.00 61.00 62.07 1f4h s PRO 683 Cb -0.09 -1.61 -0.14 0.00 0.04 0.00 0.00 34.50 32.69 1f4h s PRO 683 CO 0.22 -3.41 1.44 -1.91 0.04 0.00 0.00 177.00 173.39 1f4h n GLU 684 N -4.68 1.91 -2.87 4.56 2.13 -1.26 -4.85 120.64 115.57 1f4h n GLU 684 Ca 0.04 0.68 -0.43 0.00 0.66 0.00 0.00 57.16 58.12 1f4h n GLU 684 Cb 0.55 -2.37 -0.04 0.00 0.27 0.00 0.00 31.44 29.85 1f4h n GLU 684 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1f4h s LEU 685 N 0.49 4.06 -0.09 4.31 1.43 -1.26 -4.97 118.68 122.65 1f4h s LEU 685 Ca 0.74 0.39 -0.36 0.00 -1.03 0.00 0.00 54.13 53.87 1f4h s LEU 685 Cb -0.71 -3.15 -0.13 0.00 0.03 0.00 0.00 46.19 42.23 1f4h s LEU 685 CO 0.45 -0.85 1.79 -0.81 0.23 0.00 0.00 176.35 177.17 1f4h n PRO 686 N 6.71 1.91 -4.19 1.29 -0.04 -1.26 -4.92 135.00 134.49 1f4h n PRO 686 Ca 0.05 0.70 -0.25 0.00 -0.04 0.00 0.00 63.50 63.96 1f4h n PRO 686 Cb 0.48 -2.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.28 1f4h n PRO 686 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1f4h s GLN 687 N 3.43 1.49 0.48 0.54 1.03 -1.26 -5.06 119.66 120.31 1f4h s GLN 687 Ca 0.92 -0.29 0.07 0.00 0.04 0.00 0.00 55.36 56.10 1f4h s GLN 687 Cb -0.79 -1.42 0.08 0.00 0.03 0.00 0.00 33.01 30.92 1f4h s GLN 687 CO 0.53 -0.13 0.66 -0.35 -2.54 0.00 0.00 175.29 173.45 1f4h n PRO 688 N 4.42 0.61 -0.13 9.60 -0.04 -1.26 -5.08 135.00 143.11 1f4h n PRO 688 Ca -0.18 -2.46 -0.24 0.00 -0.04 0.00 0.00 63.50 60.58 1f4h n PRO 688 Cb 0.51 -0.23 -0.11 0.00 -0.04 0.00 0.00 33.50 33.63 1f4h n PRO 688 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1f4h n GLU 689 N -2.06 0.62 -0.82 0.54 -0.58 -1.26 -5.00 120.64 112.08 1f4h n GLU 689 Ca 0.13 0.22 -0.27 0.00 -0.42 0.00 0.00 57.16 56.82 1f4h n GLU 689 Cb 0.48 -1.52 0.02 0.00 -0.57 0.00 0.00 31.44 29.85 1f4h n GLU 689 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1f4h n SER 690 N -3.80 -3.36 -4.91 1.62 7.64 -1.26 -4.90 113.62 104.65 1f4h n SER 690 Ca -0.50 0.32 -0.27 0.00 1.01 0.00 0.00 58.87 59.44 1f4h n SER 690 Cb 0.93 -0.58 0.02 0.00 -1.01 0.00 0.00 64.21 63.57 1f4h n SER 690 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f4h s ALA 691 N -1.43 3.35 0.00 -0.43 0.00 -1.26 -4.79 121.76 117.20 1f4h s ALA 691 Ca 0.36 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1f4h s ALA 691 Cb -0.26 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1f4h s ALA 691 CO 0.52 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1f4h n GLY 692 N -2.46 2.85 3.66 0.00 0.00 -0.80 -4.93 105.19 103.51 1f4h n GLY 692 Ca 0.03 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 1f4h n GLY 692 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f4h s GLN 693 N -2.21 4.20 -0.10 1.61 -0.21 -1.26 -2.88 119.66 118.82 1f4h s GLN 693 Ca 0.00 0.52 -0.22 0.00 0.02 0.00 0.00 55.36 55.68 1f4h s GLN 693 Cb 0.00 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.41 1f4h s GLN 693 CO 0.00 -0.19 0.64 -1.17 -2.12 0.00 0.00 175.29 172.45 1f4h s LEU 694 N 1.76 4.28 -0.03 2.90 2.96 0.28 -2.06 118.68 128.77 1f4h s LEU 694 Ca 0.26 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 55.24 1f4h s LEU 694 Cb -0.16 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.58 1f4h s LEU 694 CO 0.10 -0.12 -0.06 0.26 -1.32 0.00 0.00 176.35 175.21 1f4h s TRP 695 N 0.95 0.73 -0.14 5.38 0.52 -0.74 0.14 118.94 125.77 1f4h s TRP 695 Ca 0.33 -0.18 -0.06 0.00 0.02 0.00 0.00 56.10 56.22 1f4h s TRP 695 Cb -0.17 -0.57 -0.04 0.00 -1.15 0.00 0.00 33.47 31.54 1f4h s TRP 695 CO 0.15 -0.11 0.06 -1.17 0.02 0.00 0.00 176.95 175.89 1f4h s LEU 696 N 0.42 3.85 0.01 2.99 2.96 0.61 -1.77 118.68 127.75 1f4h s LEU 696 Ca -0.06 0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 1f4h s LEU 696 Cb -0.10 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1f4h s LEU 696 CO 0.00 0.27 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.27 1f4h s THR 697 N -0.23 1.11 0.00 3.68 2.01 -0.17 -0.97 115.64 121.07 1f4h s THR 697 Ca 0.08 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1f4h s THR 697 Cb -0.12 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.42 1f4h s THR 697 CO 0.01 0.17 -0.01 0.68 -0.69 0.00 0.00 174.62 174.78 1f4h s VAL 698 N -0.58 0.09 -0.00 3.82 -7.23 -0.33 -0.02 120.40 116.16 1f4h s VAL 698 Ca 0.04 -0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.13 1f4h s VAL 698 Cb -0.07 -0.09 0.00 0.00 0.56 0.00 0.00 36.38 36.78 1f4h s VAL 698 CO 0.00 0.00 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.64 1f4h s ARG 699 N -0.09 0.21 -0.24 4.82 0.52 0.01 -1.50 118.95 122.69 1f4h s ARG 699 Ca -0.00 -0.08 -0.12 0.00 -0.52 0.00 0.00 55.73 55.01 1f4h s ARG 699 Cb -0.01 -0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.19 1f4h s ARG 699 CO -0.00 0.04 0.23 0.08 0.02 0.00 0.00 175.30 175.67 1f4h s VAL 700 N 0.03 5.30 -0.03 3.52 1.01 0.15 -0.32 120.40 130.07 1f4h s VAL 700 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1f4h s VAL 700 Cb -0.02 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1f4h s VAL 700 CO -0.00 0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.67 1f4h s VAL 701 N 1.29 3.93 -0.54 2.92 1.01 0.15 -1.01 120.40 128.14 1f4h s VAL 701 Ca 0.11 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1f4h s VAL 701 Cb -0.14 -2.69 0.14 0.00 0.00 0.00 0.00 36.38 33.68 1f4h s VAL 701 CO 0.07 0.46 0.43 -1.58 0.00 0.00 0.00 175.10 174.48 1f4h s GLN 702 N -1.26 2.72 0.23 2.72 0.74 -0.33 -0.32 119.66 124.16 1f4h s GLN 702 Ca 0.16 -1.89 0.01 0.00 0.05 0.00 0.00 55.36 53.69 1f4h s GLN 702 Cb -0.11 -4.05 0.24 0.00 1.10 0.00 0.00 33.01 30.19 1f4h s GLN 702 CO 0.06 -1.23 1.58 -1.00 -0.55 0.00 0.00 175.29 174.15 1f4h h PRO 703 N 8.36 0.42 -6.19 1.67 0.13 -1.86 1.39 132.00 135.93 1f4h h PRO 703 Ca -0.18 -0.24 -0.50 0.00 -0.87 0.00 0.00 66.00 64.21 1f4h h PRO 703 Cb 1.07 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1f4h h PRO 703 CO 0.88 0.82 -0.51 -0.80 -0.23 0.00 0.00 178.00 178.16 1f4h s ASN 704 N -6.89 5.71 0.17 1.44 0.02 -1.26 -3.52 114.94 110.62 1f4h s ASN 704 Ca -0.06 -0.16 -0.11 0.00 -1.02 0.00 0.00 52.86 51.51 1f4h s ASN 704 Cb 0.12 -1.52 -0.07 0.00 0.02 0.00 0.00 41.25 39.81 1f4h s ASN 704 CO 0.81 -0.03 0.51 0.00 0.02 0.00 0.00 177.10 178.42 1f4h s ALA 705 N -2.05 3.61 0.00 0.60 0.00 -1.26 -4.49 121.76 118.17 1f4h s ALA 705 Ca 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1f4h s ALA 705 Cb -0.08 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1f4h s ALA 705 CO 0.26 0.51 0.00 0.25 0.00 0.00 0.00 175.76 176.77 1f4h n THR 706 N 0.43 0.00 0.16 0.00 -2.24 -0.80 -4.96 114.28 106.87 1f4h n THR 706 Ca -0.03 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1f4h n THR 706 Cb 0.52 -0.60 0.08 0.00 -2.10 0.00 0.00 70.33 68.23 1f4h n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f4h h ALA 707 N 0.33 0.79 -0.01 6.98 0.00 -2.00 -3.27 119.26 122.08 1f4h h ALA 707 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1f4h h ALA 707 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1f4h h ALA 707 CO 0.00 0.31 -0.02 -2.67 0.00 0.00 0.00 179.25 176.88 1f4h n TRP 708 N -3.09 0.00 -4.15 0.00 4.27 -1.26 -5.02 117.44 108.19 1f4h n TRP 708 Ca 0.02 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.46 1f4h n TRP 708 Cb 0.64 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.47 1f4h n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 1f4h s SER 709 N -0.79 1.51 0.42 -0.67 1.04 -1.24 -4.74 113.70 109.24 1f4h s SER 709 Ca 0.10 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.84 1f4h s SER 709 Cb 0.07 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 1f4h s SER 709 CO 0.12 -0.12 0.72 -1.61 0.98 0.00 0.00 173.24 173.33 1f4h s GLU 710 N -1.87 3.61 0.33 4.02 0.41 -1.26 -1.90 118.70 122.04 1f4h s GLU 710 Ca -0.02 0.18 -0.29 0.00 -0.41 0.00 0.00 54.97 54.43 1f4h s GLU 710 Cb -0.09 -2.45 -0.11 0.00 -1.78 0.00 0.00 34.13 29.70 1f4h s GLU 710 CO 0.02 -0.06 1.40 0.00 -0.49 0.00 0.00 175.26 176.13 1f4h s ALA 711 N -2.51 3.56 -0.57 5.21 0.00 -1.26 -2.28 121.76 123.91 1f4h s ALA 711 Ca 0.47 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1f4h s ALA 711 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1f4h s ALA 711 CO 0.38 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1f4h n GLY 712 N 0.97 0.48 3.76 0.00 0.00 0.47 -4.97 105.19 105.90 1f4h n GLY 712 Ca 0.02 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1f4h n GLY 712 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1f4h s HIS 713 N -2.26 2.48 -0.11 1.61 2.46 -0.91 -4.67 115.29 113.88 1f4h s HIS 713 Ca 0.00 1.53 -0.03 0.00 0.47 0.00 0.00 55.06 57.03 1f4h s HIS 713 Cb 0.00 -3.40 -0.03 0.00 -0.13 0.00 0.00 32.58 29.01 1f4h s HIS 713 CO 0.00 -2.00 0.02 0.42 -2.47 0.00 0.00 174.74 170.71 1f4h s ILE 714 N -1.71 4.50 0.00 0.89 1.01 -1.26 -1.19 121.20 123.44 1f4h s ILE 714 Ca 0.75 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1f4h s ILE 714 Cb -0.28 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1f4h s ILE 714 CO 0.32 0.58 0.00 -1.54 0.00 0.00 0.00 174.94 174.30 1f4h n SER 715 N 2.39 1.61 -3.53 3.58 3.41 -0.18 -4.99 113.62 115.90 1f4h n SER 715 Ca -0.18 -0.31 -0.08 0.00 -0.26 0.00 0.00 58.87 58.03 1f4h n SER 715 Cb 0.54 0.95 -0.02 0.00 -0.26 0.00 0.00 64.21 65.41 1f4h n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h s ALA 716 N -1.27 -1.76 -0.04 7.33 0.00 -1.24 -4.63 121.76 120.16 1f4h s ALA 716 Ca 0.00 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 1f4h s ALA 716 Cb 0.00 0.52 0.11 0.00 0.00 0.00 0.00 23.12 23.75 1f4h s ALA 716 CO 0.00 -0.75 1.15 1.67 0.00 0.00 0.00 175.76 177.83 1f4h s TRP 717 N -3.24 -0.13 -0.15 0.00 -2.14 -1.26 0.34 118.94 112.36 1f4h s TRP 717 Ca 0.05 -0.00 -0.30 0.00 2.66 0.00 0.00 56.10 58.51 1f4h s TRP 717 Cb -0.01 0.55 0.13 0.00 -3.10 0.00 0.00 33.47 31.04 1f4h s TRP 717 CO -0.08 -0.39 1.00 -1.14 -2.66 0.00 0.00 176.95 173.68 1f4h s GLN 718 N -2.68 0.59 0.05 3.25 2.00 -0.56 -4.99 119.66 117.32 1f4h s GLN 718 Ca 0.11 0.11 -0.00 0.00 -2.00 0.00 0.00 55.36 53.58 1f4h s GLN 718 Cb 0.01 0.28 -0.03 0.00 0.80 0.00 0.00 33.01 34.07 1f4h s GLN 718 CO -0.04 -0.19 -0.04 -1.14 -0.50 0.00 0.00 175.29 173.38 1f4h s GLN 719 N -1.28 0.54 -0.02 1.67 0.74 -1.26 -1.18 119.66 118.87 1f4h s GLN 719 Ca -0.01 -1.01 -0.04 0.00 0.05 0.00 0.00 55.36 54.36 1f4h s GLN 719 Cb -0.01 0.07 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1f4h s GLN 719 CO 0.01 -0.06 0.09 -1.58 -0.55 0.00 0.00 175.29 173.19 1f4h s TRP 720 N -2.89 -0.03 0.23 1.67 0.51 -0.14 -5.00 118.94 113.28 1f4h s TRP 720 Ca -0.01 0.09 -0.29 0.00 -2.12 0.00 0.00 56.10 53.77 1f4h s TRP 720 Cb 0.00 -0.01 -0.09 0.00 -0.81 0.00 0.00 33.47 32.57 1f4h s TRP 720 CO -0.06 -0.12 0.91 0.50 -0.51 0.00 0.00 176.95 177.68 1f4h s ARG 721 N -0.43 4.80 -0.21 4.98 3.52 -1.26 -0.29 118.95 130.06 1f4h s ARG 721 Ca -0.05 1.43 -0.07 0.00 -0.13 0.00 0.00 55.73 56.91 1f4h s ARG 721 Cb -0.03 -3.26 -0.10 0.00 -1.56 0.00 0.00 34.95 29.99 1f4h s ARG 721 CO 0.00 0.52 -0.25 1.28 -0.81 0.00 0.00 175.30 176.05 1f4h n LEU 722 N 1.48 1.98 -3.61 -0.88 4.77 0.36 -4.88 117.00 116.22 1f4h n LEU 722 Ca -0.03 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1f4h n LEU 722 Cb 0.47 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 1f4h n LEU 722 CO 0.49 0.57 0.20 0.00 -1.33 0.00 0.00 177.39 177.32 1f4h s ALA 723 N -2.40 -1.08 -0.02 -1.18 0.00 -1.07 -4.98 121.76 111.03 1f4h s ALA 723 Ca -0.29 0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1f4h s ALA 723 Cb 0.10 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1f4h s ALA 723 CO 0.41 -0.58 -0.03 -2.00 0.00 0.00 0.00 175.76 173.56 1f4h s GLU 724 N -3.18 0.40 -0.32 0.00 2.12 -1.26 0.99 118.70 117.46 1f4h s GLU 724 Ca -0.01 -0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.28 1f4h s GLU 724 Cb 0.00 -0.46 0.09 0.00 0.26 0.00 0.00 34.13 34.03 1f4h s GLU 724 CO -0.08 -0.01 0.01 -0.80 -0.54 0.00 0.00 175.26 173.85 1f4h s ASN 725 N 0.41 4.68 0.52 -1.70 0.01 -1.14 -4.98 114.94 112.74 1f4h s ASN 725 Ca -0.04 -1.96 -0.22 0.00 -0.71 0.00 0.00 52.86 49.92 1f4h s ASN 725 Cb -0.07 -1.60 -0.06 0.00 0.41 0.00 0.00 41.25 39.92 1f4h s ASN 725 CO -0.01 -0.33 1.31 0.18 -1.51 0.00 0.00 177.10 176.74 1f4h n LEU 726 N 4.30 5.06 -4.53 0.60 4.77 -1.26 -1.91 117.00 124.03 1f4h n LEU 726 Ca -0.01 0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 56.54 1f4h n LEU 726 Cb 0.42 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 39.93 1f4h n LEU 726 CO 0.22 -0.69 0.87 -0.55 -1.33 0.00 0.00 177.39 175.91 1f4h s SER 727 N -0.85 6.31 -0.38 -1.43 0.15 -1.26 -4.88 113.70 111.37 1f4h s SER 727 Ca 0.69 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 57.00 1f4h s SER 727 Cb -0.44 -2.47 0.53 0.00 -1.71 0.00 0.00 66.02 61.93 1f4h s SER 727 CO 0.51 -1.39 1.77 1.33 1.20 0.00 0.00 173.24 176.66 1f4h n VAL 728 N 6.27 2.84 -3.92 4.45 0.24 -1.26 -4.95 118.33 122.01 1f4h n VAL 728 Ca 0.02 -1.64 -0.35 0.00 -2.04 0.00 0.00 64.34 60.33 1f4h n VAL 728 Cb 0.48 -0.62 -0.10 0.00 -1.47 0.00 0.00 33.84 32.12 1f4h n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1f4h s THR 729 N -2.79 4.76 -0.11 3.34 -4.23 -1.26 -5.09 115.64 110.26 1f4h s THR 729 Ca 0.47 -0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.79 1f4h s THR 729 Cb 0.39 -3.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 1f4h s THR 729 CO 0.08 0.42 0.37 -1.48 -0.54 0.00 0.00 174.62 173.47 1f4h s LEU 730 N 0.72 4.30 0.77 4.79 0.05 -1.26 -5.06 118.68 122.99 1f4h s LEU 730 Ca 0.04 0.70 -0.16 0.00 0.05 0.00 0.00 54.13 54.76 1f4h s LEU 730 Cb -0.13 -2.51 -0.13 0.00 -2.05 0.00 0.00 46.19 41.37 1f4h s LEU 730 CO 0.02 0.12 -0.82 -2.65 -0.55 0.00 0.00 176.35 172.46 1f4h n PRO 731 N 3.23 0.00 -1.63 1.48 -0.02 -1.26 -4.79 135.00 132.01 1f4h n PRO 731 Ca -0.11 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.97 1f4h n PRO 731 Cb 0.52 -0.77 -0.02 0.00 -0.02 0.00 0.00 33.50 33.21 1f4h n PRO 731 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f4h n ALA 732 N -2.19 7.06 -0.55 3.55 0.00 -1.26 -4.86 120.51 122.25 1f4h n ALA 732 Ca -0.02 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1f4h n ALA 732 Cb 0.48 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.78 1f4h n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4h n ALA 733 N 3.13 -0.82 0.00 0.00 0.00 -1.26 -4.23 120.51 117.32 1f4h n ALA 733 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1f4h n ALA 733 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1f4h n ALA 733 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1f4h n SER 734 N 1.08 0.00 0.10 0.00 7.64 -1.26 -4.79 113.62 116.39 1f4h n SER 734 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1f4h n SER 734 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1f4h n SER 734 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1f4h h HIS 735 N 0.00 0.00 -2.31 1.43 2.07 -1.80 -3.45 115.15 111.09 1f4h h HIS 735 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1f4h h HIS 735 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1f4h h HIS 735 CO 0.00 0.76 0.00 0.00 -3.07 0.00 0.00 177.93 175.62 1f4h n ALA 736 N -2.29 0.00 -3.24 6.11 0.00 -1.26 -5.10 120.51 114.72 1f4h n ALA 736 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1f4h n ALA 736 Cb 0.84 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.26 1f4h n ALA 736 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1f4h s ILE 737 N 2.26 -0.89 0.19 0.00 -5.25 -1.26 -4.54 121.20 111.71 1f4h s ILE 737 Ca 0.00 -0.01 -0.31 0.00 -0.99 0.00 0.00 60.65 59.34 1f4h s ILE 737 Cb 0.00 -0.94 -0.16 0.00 2.95 0.00 0.00 42.46 44.30 1f4h s ILE 737 CO 0.00 -0.03 0.87 -0.81 -1.79 0.00 0.00 174.94 173.18 1f4h n PRO 738 N 5.41 0.60 -3.78 0.37 -0.04 -1.26 -4.92 135.00 131.37 1f4h n PRO 738 Ca -0.02 0.21 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 1f4h n PRO 738 Cb 0.51 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1f4h n PRO 738 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1f4h s HIS 739 N -0.67 3.61 -0.21 0.54 3.76 0.70 -4.84 115.29 118.18 1f4h s HIS 739 Ca 0.69 0.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 1f4h s HIS 739 Cb -0.90 -2.00 0.02 0.00 1.11 0.00 0.00 32.58 30.81 1f4h s HIS 739 CO 0.56 0.68 -0.14 -1.17 -0.85 0.00 0.00 174.74 173.82 1f4h s LEU 740 N -1.36 2.60 -0.66 0.89 2.96 -1.26 -0.36 118.68 121.50 1f4h s LEU 740 Ca 0.22 -0.75 -0.14 0.00 -0.22 0.00 0.00 54.13 53.24 1f4h s LEU 740 Cb -0.13 -1.56 0.17 0.00 0.50 0.00 0.00 46.19 45.17 1f4h s LEU 740 CO 0.11 -0.05 0.60 -0.89 -1.32 0.00 0.00 176.35 174.79 1f4h s THR 741 N 1.30 5.23 0.76 3.68 2.01 0.11 -4.95 115.64 123.79 1f4h s THR 741 Ca 0.02 -2.00 -0.12 0.00 0.31 0.00 0.00 61.69 59.91 1f4h s THR 741 Cb -0.15 -4.31 0.19 0.00 0.01 0.00 0.00 72.50 68.24 1f4h s THR 741 CO -0.09 -0.93 0.42 0.41 -0.69 0.00 0.00 174.62 173.74 1f4h n THR 742 N 4.61 0.00 0.00 -0.82 -1.04 -1.26 -2.17 114.28 113.60 1f4h n THR 742 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1f4h n THR 742 Cb 0.43 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1f4h n THR 742 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1f4h n SER 743 N -3.75 0.00 0.00 8.00 2.88 -1.24 -4.75 113.62 114.76 1f4h n SER 743 Ca 0.07 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.71 1f4h n SER 743 Cb 0.29 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.65 1f4h n SER 743 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1f4h n GLU 744 N -1.11 0.19 0.00 -1.46 -0.00 -1.26 -4.22 120.64 112.78 1f4h n GLU 744 Ca 0.00 -0.05 0.14 0.00 -0.00 0.00 0.00 57.16 57.25 1f4h n GLU 744 Cb 0.00 -1.52 0.57 0.00 -0.00 0.00 0.00 31.44 30.50 1f4h n GLU 744 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1f4h n MET 745 N -1.74 0.51 -3.84 3.44 2.81 -1.26 -4.67 117.12 112.38 1f4h n MET 745 Ca 0.02 -0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 1f4h n MET 745 Cb 0.40 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1f4h n MET 745 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1f4h n ASP 746 N -1.09 0.00 -4.02 7.83 5.68 -1.26 -3.73 116.55 119.96 1f4h n ASP 746 Ca 0.12 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.18 1f4h n ASP 746 Cb 0.29 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.11 1f4h n ASP 746 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1f4h s PHE 747 N -2.81 1.31 -0.16 2.11 0.40 -0.69 -3.59 117.98 114.55 1f4h s PHE 747 Ca 0.00 -0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1f4h s PHE 747 Cb 0.00 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.55 1f4h s PHE 747 CO 0.00 -0.22 -0.10 0.00 0.70 0.00 0.00 175.22 175.60 1f4h s ILE 749 N 0.63 4.11 0.05 0.00 1.09 -0.16 0.08 121.20 127.01 1f4h s ILE 749 Ca -0.06 -0.29 0.02 0.00 -1.10 0.00 0.00 60.65 59.23 1f4h s ILE 749 Cb -0.15 -2.80 -0.03 0.00 -1.06 0.00 0.00 42.46 38.42 1f4h s ILE 749 CO 0.03 0.50 -0.08 -1.83 -0.10 0.00 0.00 174.94 173.46 1f4h s GLU 750 N 0.18 0.59 -0.29 2.79 1.03 0.52 -0.49 118.70 123.02 1f4h s GLU 750 Ca -0.00 -0.87 -0.16 0.00 0.03 0.00 0.00 54.97 53.96 1f4h s GLU 750 Cb -0.13 -0.29 0.17 0.00 -0.80 0.00 0.00 34.13 33.08 1f4h s GLU 750 CO 0.02 0.04 1.07 -1.17 -1.33 0.00 0.00 175.26 173.89 1f4h s LEU 751 N -1.87 -0.37 0.00 1.83 0.20 -0.59 0.25 118.68 118.14 1f4h s LEU 751 Ca -0.06 0.57 0.00 0.00 0.69 0.00 0.00 54.13 55.34 1f4h s LEU 751 Cb -0.07 1.52 0.00 0.00 -0.43 0.00 0.00 46.19 47.20 1f4h s LEU 751 CO -0.01 -0.09 0.00 0.61 -0.29 0.00 0.00 176.35 176.58 1f4h n GLY 752 N 3.69 1.85 0.16 7.98 0.00 -1.26 -2.07 105.19 115.53 1f4h n GLY 752 Ca -0.17 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1f4h n GLY 752 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1f4h h ASN 753 N 9.42 0.00 -3.34 1.61 -1.07 -1.94 -3.47 115.58 116.80 1f4h h ASN 753 Ca 0.00 -0.02 -0.52 0.00 0.07 0.00 0.00 56.30 55.83 1f4h h ASN 753 Cb 0.00 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.28 1f4h h ASN 753 CO 0.00 0.01 0.67 -0.54 0.07 0.00 0.00 177.43 177.64 1f4h s LYS 754 N -3.19 4.37 -0.11 4.14 1.02 -0.88 -1.58 119.74 123.51 1f4h s LYS 754 Ca 0.07 2.09 -0.08 0.00 0.02 0.00 0.00 55.97 58.06 1f4h s LYS 754 Cb 0.08 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1f4h s LYS 754 CO 0.67 -0.29 0.27 0.50 -0.92 0.00 0.00 175.35 175.58 1f4h s ARG 755 N -0.00 0.29 -0.19 1.68 3.52 0.91 -1.54 118.95 123.62 1f4h s ARG 755 Ca 0.58 0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 56.61 1f4h s ARG 755 Cb -0.37 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.10 1f4h s ARG 755 CO 0.38 -0.08 -0.13 -1.58 -0.81 0.00 0.00 175.30 173.08 1f4h s TRP 756 N 0.51 2.84 -0.19 5.12 0.51 0.35 0.15 118.94 128.24 1f4h s TRP 756 Ca -0.03 -1.25 0.01 0.00 -2.12 0.00 0.00 56.10 52.71 1f4h s TRP 756 Cb -0.04 -1.98 0.02 0.00 -0.81 0.00 0.00 33.47 30.66 1f4h s TRP 756 CO -0.03 -0.64 -0.19 -1.14 -0.51 0.00 0.00 176.95 174.45 1f4h s GLN 757 N 1.24 2.97 -0.43 4.98 0.74 0.40 -0.99 119.66 128.58 1f4h s GLN 757 Ca 0.03 -0.84 -0.12 0.00 0.05 0.00 0.00 55.36 54.48 1f4h s GLN 757 Cb -0.14 -2.60 0.07 0.00 1.10 0.00 0.00 33.01 31.43 1f4h s GLN 757 CO -0.07 -0.23 0.30 -0.06 -0.55 0.00 0.00 175.29 174.69 1f4h s PHE 758 N 1.29 3.29 0.10 1.67 0.40 -0.87 -0.46 117.98 123.40 1f4h s PHE 758 Ca 0.04 -1.19 -0.31 0.00 -0.60 0.00 0.00 56.93 54.87 1f4h s PHE 758 Cb -0.13 -2.92 -0.10 0.00 0.51 0.00 0.00 43.02 40.38 1f4h s PHE 758 CO -0.12 -0.79 1.84 1.21 0.70 0.00 0.00 175.22 178.06 1f4h s ASN 759 N 2.16 6.45 0.14 1.36 3.84 -0.67 -1.71 114.94 126.51 1f4h s ASN 759 Ca 0.03 2.71 0.26 0.00 0.21 0.00 0.00 52.86 56.07 1f4h s ASN 759 Cb -0.23 -2.56 0.94 0.00 -0.55 0.00 0.00 41.25 38.85 1f4h s ASN 759 CO 0.05 -1.00 1.79 -2.11 -2.79 0.00 0.00 177.10 173.03 1f4h n ARG 760 N 6.00 0.16 0.02 0.43 1.85 -1.24 -1.53 116.66 122.35 1f4h n ARG 760 Ca 0.18 0.19 -0.12 0.00 -1.00 0.00 0.00 57.85 57.10 1f4h n ARG 760 Cb 0.39 -1.71 -0.14 0.00 -1.05 0.00 0.00 32.46 29.95 1f4h n ARG 760 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1f4h h GLN 761 N 0.00 0.09 0.17 2.89 4.20 -1.84 -3.39 115.11 117.23 1f4h h GLN 761 Ca 0.00 -0.15 -0.36 0.00 0.06 0.00 0.00 58.65 58.20 1f4h h GLN 761 Cb 0.58 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1f4h h GLN 761 CO 0.00 0.83 -1.83 0.66 -0.67 0.00 0.00 178.83 177.82 1f4h h SER 762 N 0.02 0.56 0.00 1.46 4.64 -1.95 -3.46 113.55 114.82 1f4h h SER 762 Ca -0.23 -0.94 0.00 0.00 -0.47 0.00 0.00 61.79 60.15 1f4h h SER 762 Cb 1.97 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1f4h h SER 762 CO 0.11 1.81 0.00 0.61 -0.87 0.00 0.00 176.83 178.49 1f4h n GLY 763 N 1.90 0.63 3.98 -0.77 0.00 -0.58 -4.71 105.19 105.64 1f4h n GLY 763 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1f4h n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f4h s PHE 764 N -2.36 3.27 -0.67 1.61 0.40 -1.24 -4.93 117.98 114.06 1f4h s PHE 764 Ca 0.00 -0.08 -0.23 0.00 -0.60 0.00 0.00 56.93 56.02 1f4h s PHE 764 Cb 0.00 -1.85 0.07 0.00 0.51 0.00 0.00 43.02 41.75 1f4h s PHE 764 CO 0.00 0.14 0.99 -1.17 0.70 0.00 0.00 175.22 175.88 1f4h s LEU 765 N -4.13 4.29 0.26 -0.37 2.96 -1.26 -1.67 118.68 118.77 1f4h s LEU 765 Ca 0.41 -0.96 0.09 0.00 -0.22 0.00 0.00 54.13 53.45 1f4h s LEU 765 Cb -0.09 -2.43 0.33 0.00 0.50 0.00 0.00 46.19 44.50 1f4h s LEU 765 CO 0.31 -1.47 1.60 0.77 -1.32 0.00 0.00 176.35 176.24 1f4h h SER 766 N 9.60 0.08 -4.39 3.68 4.64 -1.11 -2.85 113.55 123.19 1f4h h SER 766 Ca -0.28 -0.05 0.12 0.00 -0.47 0.00 0.00 61.79 61.11 1f4h h SER 766 Cb 1.07 -0.02 -0.18 0.00 -0.31 0.00 0.00 62.40 62.95 1f4h h SER 766 CO 1.19 0.67 0.56 -1.58 -0.87 0.00 0.00 176.83 176.81 1f4h s GLN 767 N -3.67 0.66 -0.06 4.77 2.00 -0.59 -4.49 119.66 118.28 1f4h s GLN 767 Ca -0.02 -0.12 -0.07 0.00 -2.00 0.00 0.00 55.36 53.15 1f4h s GLN 767 Cb 0.12 0.31 0.02 0.00 0.80 0.00 0.00 33.01 34.26 1f4h s GLN 767 CO 0.77 -0.26 0.18 1.41 -0.50 0.00 0.00 175.29 176.89 1f4h s MET 768 N -2.32 0.25 -0.03 1.67 -2.45 -1.26 0.15 119.30 115.32 1f4h s MET 768 Ca 0.03 0.17 0.07 0.00 -1.25 0.00 0.00 55.69 54.72 1f4h s MET 768 Cb -0.01 0.12 -0.02 0.00 1.25 0.00 0.00 34.83 36.17 1f4h s MET 768 CO -0.05 -0.04 -0.24 -1.58 1.05 0.00 0.00 175.02 174.16 1f4h s TRP 769 N -0.10 2.40 -0.64 4.11 0.51 0.41 -0.67 118.94 124.95 1f4h s TRP 769 Ca -0.02 -0.42 0.02 0.00 -2.12 0.00 0.00 56.10 53.56 1f4h s TRP 769 Cb -0.02 -1.53 0.16 0.00 -0.81 0.00 0.00 33.47 31.27 1f4h s TRP 769 CO 0.00 -0.02 0.43 0.42 -0.51 0.00 0.00 176.95 177.27 1f4h s ILE 770 N -0.59 3.18 0.00 2.03 1.01 -1.04 -0.06 121.20 125.73 1f4h s ILE 770 Ca 0.09 -3.52 0.00 0.00 0.00 0.00 0.00 60.65 57.22 1f4h s ILE 770 Cb -0.10 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1f4h s ILE 770 CO -0.00 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.64 1f4h n GLY 771 N 2.85 1.17 0.18 6.18 0.00 -0.61 -3.76 105.19 111.19 1f4h n GLY 771 Ca 0.11 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 45.22 1f4h n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1f4h n ASP 772 N 1.96 1.06 -4.81 1.61 5.68 -1.26 -4.80 116.55 115.98 1f4h n ASP 772 Ca 0.00 -1.03 -0.36 0.00 -0.50 0.00 0.00 54.79 52.90 1f4h n ASP 772 Cb 0.00 0.58 -0.06 0.00 -1.14 0.00 0.00 41.12 40.49 1f4h n ASP 772 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1f4h s LYS 773 N -1.46 4.33 0.07 0.11 1.02 -1.25 -5.06 119.74 117.51 1f4h s LYS 773 Ca 0.07 0.99 -0.02 0.00 0.02 0.00 0.00 55.97 57.04 1f4h s LYS 773 Cb 0.08 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1f4h s LYS 773 CO 0.28 0.34 0.25 0.15 -0.92 0.00 0.00 175.35 175.46 1f4h s LYS 774 N -2.06 3.49 -0.10 1.68 3.01 -1.26 -2.49 119.74 122.01 1f4h s LYS 774 Ca 0.46 -0.32 0.09 0.00 -1.01 0.00 0.00 55.97 55.19 1f4h s LYS 774 Cb -0.17 -3.00 -0.13 0.00 -1.01 0.00 0.00 37.83 33.52 1f4h s LYS 774 CO 0.21 0.58 0.05 1.04 0.51 0.00 0.00 175.35 177.74 1f4h n GLN 775 N 0.32 2.15 -4.01 1.68 1.13 0.15 -4.84 117.38 113.96 1f4h n GLN 775 Ca -0.05 -0.01 -0.23 0.00 -1.94 0.00 0.00 57.00 54.77 1f4h n GLN 775 Cb 0.51 -1.27 -0.03 0.00 0.11 0.00 0.00 30.24 29.56 1f4h n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1f4h s LEU 776 N -4.70 4.15 -0.00 1.08 1.43 -1.26 0.14 118.68 119.52 1f4h s LEU 776 Ca -0.05 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1f4h s LEU 776 Cb 0.03 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 1f4h s LEU 776 CO 0.43 -0.02 0.01 0.18 0.23 0.00 0.00 176.35 177.19 1f4h n LEU 777 N -1.04 0.01 -4.03 1.79 4.77 0.04 -4.68 117.00 113.86 1f4h n LEU 777 Ca -0.08 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.58 1f4h n LEU 777 Cb 0.56 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 1f4h n LEU 777 CO 0.45 0.00 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.24 1f4h s THR 778 N -1.63 0.37 0.46 -5.08 2.01 -1.23 -4.97 115.64 105.58 1f4h s THR 778 Ca -0.00 -1.05 -0.21 0.00 0.31 0.00 0.00 61.69 60.74 1f4h s THR 778 Cb 0.00 -0.52 -0.09 0.00 0.01 0.00 0.00 72.50 71.91 1f4h s THR 778 CO 0.02 -0.45 1.03 -2.16 -0.69 0.00 0.00 174.62 172.37 1f4h s PRO 779 N -1.64 3.92 -0.23 4.92 0.04 -1.26 -3.67 135.00 137.08 1f4h s PRO 779 Ca -0.11 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 1f4h s PRO 779 Cb -0.09 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1f4h s PRO 779 CO -0.00 -0.33 1.84 -1.17 0.04 0.00 0.00 177.00 177.38 1f4h s LEU 780 N -3.25 3.72 0.06 -3.56 2.96 -1.08 -4.52 118.68 113.01 1f4h s LEU 780 Ca 0.65 1.68 0.01 0.00 -0.22 0.00 0.00 54.13 56.26 1f4h s LEU 780 Cb -0.17 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1f4h s LEU 780 CO 0.21 -1.54 -0.06 0.00 -1.32 0.00 0.00 176.35 173.64 1f4h s ARG 781 N 5.34 0.64 0.28 1.98 1.70 0.32 -4.31 118.95 124.90 1f4h s ARG 781 Ca 0.82 -1.03 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 1f4h s ARG 781 Cb -0.28 -0.17 -0.13 0.00 -0.57 0.00 0.00 34.95 33.80 1f4h s ARG 781 CO 0.33 -0.00 1.31 -0.25 -1.08 0.00 0.00 175.30 175.61 1f4h n ASP 782 N 0.72 2.54 -3.69 -2.89 9.92 -1.26 0.11 116.55 122.00 1f4h n ASP 782 Ca -0.18 1.17 -0.21 0.00 -0.53 0.00 0.00 54.79 55.04 1f4h n ASP 782 Cb 0.58 -1.42 -0.18 0.00 -0.64 0.00 0.00 41.12 39.45 1f4h n ASP 782 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1f4h s GLN 783 N -1.06 0.10 0.00 -1.24 0.74 0.56 -4.76 119.66 113.99 1f4h s GLN 783 Ca 0.63 0.29 0.03 0.00 0.05 0.00 0.00 55.36 56.36 1f4h s GLN 783 Cb -0.63 -0.68 0.04 0.00 1.10 0.00 0.00 33.01 32.84 1f4h s GLN 783 CO 0.55 -0.34 0.71 1.19 -0.55 0.00 0.00 175.29 176.86 1f4h n PHE 784 N 5.26 0.03 -4.67 1.67 3.01 -1.26 -1.97 117.46 119.53 1f4h n PHE 784 Ca -0.04 -0.11 -0.30 0.00 1.01 0.00 0.00 57.45 58.01 1f4h n PHE 784 Cb 0.50 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 39.87 1f4h n PHE 784 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1f4h s THR 785 N -0.45 1.22 -0.09 4.37 -4.23 -1.26 -3.40 115.64 111.81 1f4h s THR 785 Ca 0.05 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.40 1f4h s THR 785 Cb 0.03 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.52 1f4h s THR 785 CO 0.05 0.00 0.38 0.00 -0.54 0.00 0.00 174.62 174.51 1f4h s ARG 786 N -3.82 0.60 -0.51 3.99 1.70 -1.26 -4.75 118.95 114.91 1f4h s ARG 786 Ca 0.16 0.22 -0.26 0.00 -0.47 0.00 0.00 55.73 55.38 1f4h s ARG 786 Cb 0.04 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1f4h s ARG 786 CO 0.09 -0.13 2.24 0.00 -1.08 0.00 0.00 175.30 176.42 1f4h s ALA 787 N -0.54 1.84 0.15 7.88 0.00 -1.26 -4.81 121.76 125.01 1f4h s ALA 787 Ca -0.07 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.60 1f4h s ALA 787 Cb -0.04 -4.32 -0.11 0.00 0.00 0.00 0.00 23.12 18.66 1f4h s ALA 787 CO 0.03 -4.21 0.31 -0.35 0.00 0.00 0.00 175.76 171.54 1f4h n PRO 788 N 9.03 0.00 -3.15 0.00 -0.04 -1.26 -0.32 135.00 139.26 1f4h n PRO 788 Ca 0.32 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.58 1f4h n PRO 788 Cb 0.54 -0.66 0.03 0.00 -0.04 0.00 0.00 33.50 33.37 1f4h n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1f4h s LEU 789 N 2.06 3.26 0.47 1.53 1.43 -1.26 -4.29 118.68 121.88 1f4h s LEU 789 Ca 0.42 -0.75 0.25 0.00 -1.03 0.00 0.00 54.13 53.02 1f4h s LEU 789 Cb -0.59 -1.94 1.28 0.00 0.03 0.00 0.00 46.19 44.98 1f4h s LEU 789 CO 0.37 -1.08 1.86 0.44 0.23 0.00 0.00 176.35 178.17 1f4h h ASP 790 N 0.45 0.21 0.35 2.29 3.32 -1.87 -0.44 116.42 120.72 1f4h h ASP 790 Ca -0.35 0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.51 1f4h h ASP 790 Cb 1.29 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1f4h h ASP 790 CO 0.45 0.07 -0.91 0.78 -1.72 0.00 0.00 179.24 177.91 1f4h h ASN 791 N 0.20 0.51 1.01 6.45 2.35 -1.85 -0.45 115.58 123.80 1f4h h ASN 791 Ca 0.46 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1f4h h ASN 791 Cb 1.48 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1f4h h ASN 791 CO -0.11 1.19 0.00 0.44 -1.65 0.00 0.00 177.43 177.30 1f4h h ASP 792 N 0.23 0.00 0.03 5.81 3.32 -1.39 -3.24 116.42 121.18 1f4h h ASP 792 Ca -0.07 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.65 1f4h h ASP 792 Cb 1.54 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.05 1f4h h ASP 792 CO 0.16 0.00 -1.82 -0.38 -1.72 0.00 0.00 179.24 175.48 1f4h n ILE 793 N -2.75 1.59 -4.78 0.35 5.41 -1.01 -1.93 119.36 116.24 1f4h n ILE 793 Ca 0.02 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.46 1f4h n ILE 793 Cb 0.30 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 1f4h n ILE 793 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f4h n GLY 794 N 1.61 0.86 0.03 7.39 0.00 -0.20 -2.80 105.19 112.08 1f4h n GLY 794 Ca -0.38 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.08 1f4h n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1f4h n VAL 795 N 0.00 0.00 -1.43 1.61 0.24 -1.26 -4.87 118.33 112.62 1f4h n VAL 795 Ca 0.00 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 1f4h n VAL 795 Cb 0.00 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 1f4h n VAL 795 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1f4h n SER 796 N -1.31 -1.19 -4.26 -1.34 2.88 -1.12 -4.79 113.62 102.49 1f4h n SER 796 Ca 0.11 0.92 -0.17 0.00 -1.33 0.00 0.00 58.87 58.40 1f4h n SER 796 Cb 0.29 -1.06 -0.10 0.00 -0.75 0.00 0.00 64.21 62.59 1f4h n SER 796 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1f4h s GLU 797 N -1.42 1.47 0.41 -1.46 2.56 -0.59 -4.81 118.70 114.87 1f4h s GLU 797 Ca 0.62 -1.81 0.29 0.00 0.00 0.00 0.00 54.97 54.07 1f4h s GLU 797 Cb -0.64 -0.26 1.10 0.00 2.00 0.00 0.00 34.13 36.32 1f4h s GLU 797 CO 0.59 -0.32 1.84 0.00 -0.56 0.00 0.00 175.26 176.81 1f4h h ALA 798 N 2.33 1.00 0.00 6.30 0.00 -2.00 -3.19 119.26 123.70 1f4h h ALA 798 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1f4h h ALA 798 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1f4h h ALA 798 CO 0.59 0.00 -0.09 2.41 0.00 0.00 0.00 179.25 182.17 1f4h n THR 799 N -2.74 0.19 -3.45 0.00 -1.04 -1.26 -4.79 114.28 101.19 1f4h n THR 799 Ca 0.02 0.46 -0.42 0.00 -2.04 0.00 0.00 64.05 62.06 1f4h n THR 799 Cb 0.31 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 67.17 1f4h n THR 799 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1f4h s ARG 800 N -1.19 3.65 0.25 -2.82 3.52 -1.25 -5.06 118.95 116.04 1f4h s ARG 800 Ca -0.03 -2.98 -0.30 0.00 -0.13 0.00 0.00 55.73 52.29 1f4h s ARG 800 Cb 0.00 -4.29 -0.10 0.00 -1.56 0.00 0.00 34.95 29.00 1f4h s ARG 800 CO 0.04 -1.25 1.51 -1.50 -0.81 0.00 0.00 175.30 173.29 1f4h s ILE 801 N -0.81 2.45 -0.50 4.11 1.10 -1.20 -1.54 121.20 124.80 1f4h s ILE 801 Ca 0.25 0.37 -0.18 0.00 -0.51 0.00 0.00 60.65 60.59 1f4h s ILE 801 Cb -0.10 -3.24 0.07 0.00 0.15 0.00 0.00 42.46 39.34 1f4h s ILE 801 CO -0.09 0.05 0.54 -0.62 -2.11 0.00 0.00 174.94 172.72 1f4h s ASP 802 N 0.54 6.19 0.39 4.50 2.15 -1.26 -4.82 116.67 124.36 1f4h s ASP 802 Ca 0.63 -1.16 0.13 0.00 0.43 0.00 0.00 52.55 52.57 1f4h s ASP 802 Cb -0.44 -2.25 0.94 0.00 -0.30 0.00 0.00 42.92 40.87 1f4h s ASP 802 CO 0.43 -0.82 1.89 -0.65 -0.17 0.00 0.00 175.17 175.84 1f4h h PRO 803 N 8.92 0.53 0.00 4.34 0.11 -1.98 -2.66 132.00 141.26 1f4h h PRO 803 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1f4h h PRO 803 Cb 1.10 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1f4h h PRO 803 CO 0.95 0.35 -0.50 -0.91 -0.21 0.00 0.00 178.00 177.68 1f4h h ASN 804 N 0.55 0.00 -2.55 -2.05 2.35 -1.98 -3.37 115.58 108.53 1f4h h ASN 804 Ca 0.42 -0.02 -0.58 0.00 -0.55 0.00 0.00 56.30 55.58 1f4h h ASN 804 Cb 0.83 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.27 1f4h h ASN 804 CO -0.17 0.01 0.73 0.00 -1.65 0.00 0.00 177.43 176.35 1f4h n ALA 805 N -2.09 1.41 -0.30 -0.83 0.00 -1.00 -4.78 120.51 112.92 1f4h n ALA 805 Ca 0.02 0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.91 1f4h n ALA 805 Cb 0.52 -2.33 0.10 0.00 0.00 0.00 0.00 19.45 17.74 1f4h n ALA 805 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1f4h h TRP 806 N 5.10 -0.54 -0.93 0.00 4.06 -1.85 -1.44 115.95 120.35 1f4h h TRP 806 Ca -0.45 0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.57 1f4h h TRP 806 Cb 1.26 0.37 -0.04 0.00 -1.00 0.00 0.00 29.16 29.74 1f4h h TRP 806 CO 0.59 -0.37 0.55 -0.24 -3.56 0.00 0.00 178.44 175.41 1f4h h VAL 807 N -0.01 1.26 -0.06 1.49 3.04 -1.71 -0.19 116.25 120.07 1f4h h VAL 807 Ca 0.40 -0.59 -0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1f4h h VAL 807 Cb 0.62 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1f4h h VAL 807 CO -0.88 0.28 0.04 -0.33 -1.01 0.00 0.00 177.57 175.67 1f4h h GLU 808 N 1.29 0.08 -0.18 4.17 4.39 -1.56 0.68 114.58 123.45 1f4h h GLU 808 Ca 0.33 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.05 1f4h h GLU 808 Cb -0.03 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1f4h h GLU 808 CO -0.06 0.09 0.12 0.00 -1.16 0.00 0.00 179.01 178.01 1f4h h ARG 809 N 0.05 0.15 0.04 2.33 3.08 -0.45 0.50 114.38 120.08 1f4h h ARG 809 Ca 0.02 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.89 1f4h h ARG 809 Cb 0.03 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.06 1f4h h ARG 809 CO -0.00 0.10 -0.71 -1.49 -1.07 0.00 0.00 179.97 176.79 1f4h h TRP 810 N 0.15 0.63 0.63 3.04 6.55 -0.38 -2.07 115.95 124.50 1f4h h TRP 810 Ca 0.08 -0.38 -0.02 0.00 0.95 0.00 0.00 58.89 59.52 1f4h h TRP 810 Cb 0.12 -0.06 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 1f4h h TRP 810 CO -0.00 1.22 -0.41 0.87 -1.05 0.00 0.00 178.44 179.07 1f4h h LYS 811 N -0.13 -0.95 -0.00 0.49 1.57 0.11 -2.16 116.57 115.49 1f4h h LYS 811 Ca -0.10 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1f4h h LYS 811 Cb 1.45 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.98 1f4h h LYS 811 CO 0.14 -0.64 0.26 0.00 -0.57 0.00 0.00 179.45 178.65 1f4h h ALA 812 N -0.74 1.27 0.00 3.86 0.00 -0.06 0.99 119.26 124.58 1f4h h ALA 812 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1f4h h ALA 812 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1f4h h ALA 812 CO 0.06 -0.26 -1.30 0.00 0.00 0.00 0.00 179.25 177.75 1f4h n ALA 813 N -1.93 3.52 -0.19 0.00 0.00 -0.78 -4.99 120.51 116.14 1f4h n ALA 813 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1f4h n ALA 813 Cb 0.32 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1f4h n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f4h n GLY 814 N 1.36 0.60 0.44 0.00 0.00 0.34 -4.87 105.19 103.05 1f4h n GLY 814 Ca 0.01 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.28 1f4h n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1f4h h HIS 815 N 0.00 0.44 0.00 1.61 3.86 -1.71 2.70 115.15 122.05 1f4h h HIS 815 Ca 0.00 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1f4h h HIS 815 Cb 0.00 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1f4h h HIS 815 CO 0.00 0.06 -0.70 1.88 0.86 0.00 0.00 177.93 180.03 1f4h h TYR 816 N 0.28 0.00 0.00 2.45 -1.99 -1.87 -3.35 116.97 112.48 1f4h h TYR 816 Ca 0.54 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.27 1f4h h TYR 816 Cb 1.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.33 1f4h h TYR 816 CO -0.00 0.32 -0.48 0.00 -0.00 0.00 0.00 178.16 178.00 1f4h n GLN 817 N -3.02 3.66 -1.59 4.88 0.00 0.12 -5.01 117.38 116.42 1f4h n GLN 817 Ca -0.01 -0.00 -0.54 0.00 0.00 0.00 0.00 57.00 56.46 1f4h n GLN 817 Cb 0.68 -0.98 -0.06 0.00 0.00 0.00 0.00 30.24 29.88 1f4h n GLN 817 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1f4h n ALA 818 N -1.24 -1.27 -2.71 2.61 0.00 0.87 -4.97 120.51 113.79 1f4h n ALA 818 Ca 0.02 0.52 -0.32 0.00 0.00 0.00 0.00 53.44 53.65 1f4h n ALA 818 Cb 0.16 -2.04 -0.08 0.00 0.00 0.00 0.00 19.45 17.48 1f4h n ALA 818 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1f4h s GLU 819 N 0.70 2.84 0.71 0.00 2.02 -1.11 -4.87 118.70 118.98 1f4h s GLU 819 Ca 0.87 -0.60 -0.13 0.00 0.02 0.00 0.00 54.97 55.13 1f4h s GLU 819 Cb -1.01 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 30.53 1f4h s GLU 819 CO 0.50 0.62 1.11 0.00 0.02 0.00 0.00 175.26 177.51 1f4h s ALA 820 N -1.14 2.36 -0.37 5.21 0.00 -1.26 -2.75 121.76 123.80 1f4h s ALA 820 Ca 0.21 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1f4h s ALA 820 Cb -0.12 -3.32 0.14 0.00 0.00 0.00 0.00 23.12 19.82 1f4h s ALA 820 CO 0.12 -1.50 0.21 0.00 0.00 0.00 0.00 175.76 174.59 1f4h s ALA 821 N -2.50 1.28 -0.14 0.00 0.00 0.37 -4.87 121.76 115.89 1f4h s ALA 821 Ca 0.66 -2.03 -0.32 0.00 0.00 0.00 0.00 51.96 50.27 1f4h s ALA 821 Cb -0.20 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 1f4h s ALA 821 CO 0.47 -2.06 2.05 -0.11 0.00 0.00 0.00 175.76 176.11 1f4h n LEU 822 N 3.99 3.33 -0.06 0.00 7.94 -1.26 -1.47 117.00 129.46 1f4h n LEU 822 Ca 0.10 0.64 -0.21 0.00 -1.11 0.00 0.00 56.01 55.43 1f4h n LEU 822 Cb 0.37 -1.44 -0.13 0.00 0.53 0.00 0.00 43.42 42.75 1f4h n LEU 822 CO 0.16 -0.30 -0.99 0.18 -1.11 0.00 0.00 177.39 175.34 1f4h n LEU 823 N 8.84 2.57 -3.51 -1.96 4.77 0.18 -4.96 117.00 122.93 1f4h n LEU 823 Ca 0.27 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 56.24 1f4h n LEU 823 Cb 0.35 -1.01 -0.05 0.00 -2.33 0.00 0.00 43.42 40.38 1f4h n LEU 823 CO 0.71 0.78 0.47 0.00 -1.33 0.00 0.00 177.39 178.01 1f4h s GLN 824 N -2.52 1.05 -0.29 3.23 -2.07 -1.17 -4.97 119.66 112.91 1f4h s GLN 824 Ca -0.28 0.12 -0.01 0.00 -1.82 0.00 0.00 55.36 53.37 1f4h s GLN 824 Cb 0.08 0.49 0.19 0.00 -1.09 0.00 0.00 33.01 32.68 1f4h s GLN 824 CO 0.67 -0.35 0.77 0.00 -1.32 0.00 0.00 175.29 175.05 1f4h s THR 826 N 2.86 1.04 0.15 0.00 -4.23 -0.92 -5.01 115.64 109.52 1f4h s THR 826 Ca 0.17 -1.45 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 1f4h s THR 826 Cb -0.07 -1.19 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 1f4h s THR 826 CO -0.25 -0.37 -0.10 0.00 -0.54 0.00 0.00 174.62 173.36 1f4h s ALA 827 N -1.79 2.94 -0.01 3.99 0.00 -1.26 -1.09 121.76 124.55 1f4h s ALA 827 Ca 0.01 -1.37 -0.18 0.00 0.00 0.00 0.00 51.96 50.42 1f4h s ALA 827 Cb -0.07 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.28 1f4h s ALA 827 CO 0.02 0.55 0.39 -0.51 0.00 0.00 0.00 175.76 176.20 1f4h s ASP 828 N -2.54 -0.28 -0.19 0.00 -0.00 -1.07 -5.01 116.67 107.58 1f4h s ASP 828 Ca 0.23 0.15 -0.06 0.00 -0.00 0.00 0.00 52.55 52.87 1f4h s ASP 828 Cb -0.10 0.37 -0.03 0.00 -0.00 0.00 0.00 42.92 43.16 1f4h s ASP 828 CO 0.14 -0.52 0.04 0.28 -0.00 0.00 0.00 175.17 175.10 1f4h s THR 829 N -1.60 4.37 0.59 -1.27 -1.32 -1.26 -1.90 115.64 113.26 1f4h s THR 829 Ca -0.11 -0.17 -0.00 0.00 -1.21 0.00 0.00 61.69 60.20 1f4h s THR 829 Cb -0.03 -2.98 0.04 0.00 -1.51 0.00 0.00 72.50 68.02 1f4h s THR 829 CO 0.04 0.43 0.83 -0.76 -2.21 0.00 0.00 174.62 172.95 1f4h s LEU 830 N 0.75 3.18 0.20 9.08 1.02 0.34 -4.98 118.68 128.27 1f4h s LEU 830 Ca 0.02 0.03 -0.05 0.00 0.02 0.00 0.00 54.13 54.16 1f4h s LEU 830 Cb -0.14 -2.84 0.15 0.00 0.02 0.00 0.00 46.19 43.38 1f4h s LEU 830 CO 0.02 -1.27 1.59 0.00 0.02 0.00 0.00 176.35 176.71 1f4h h ALA 831 N -0.08 0.81 -0.02 4.21 0.00 -2.02 -3.35 119.26 118.81 1f4h h ALA 831 Ca -0.42 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1f4h h ALA 831 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1f4h h ALA 831 CO 0.53 0.64 0.00 -0.40 0.00 0.00 0.00 179.25 180.02 1f4h n ASP 832 N -4.08 1.43 -3.46 0.00 5.75 -1.26 -5.06 116.55 109.88 1f4h n ASP 832 Ca -0.01 -1.33 -0.05 0.00 -0.01 0.00 0.00 54.79 53.39 1f4h n ASP 832 Cb 0.48 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1f4h n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f4h s ALA 833 N -0.39 -1.34 0.01 2.12 0.00 -1.26 -2.92 121.76 117.99 1f4h s ALA 833 Ca 0.03 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1f4h s ALA 833 Cb 0.02 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 1f4h s ALA 833 CO 0.02 -1.04 -0.19 0.08 0.00 0.00 0.00 175.76 174.64 1f4h s VAL 834 N -2.84 2.72 -0.16 0.00 1.01 0.13 -0.51 120.40 120.75 1f4h s VAL 834 Ca 0.15 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1f4h s VAL 834 Cb -0.03 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1f4h s VAL 834 CO 0.06 0.43 -0.15 -0.22 0.00 0.00 0.00 175.10 175.23 1f4h s LEU 835 N -1.14 1.77 -0.00 3.92 2.96 -0.80 -1.30 118.68 124.09 1f4h s LEU 835 Ca 0.13 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1f4h s LEU 835 Cb -0.10 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 1f4h s LEU 835 CO 0.03 -0.06 0.23 -0.63 -1.32 0.00 0.00 176.35 174.60 1f4h s ILE 836 N 1.46 5.36 -0.06 6.68 -1.09 0.24 -2.61 121.20 131.19 1f4h s ILE 836 Ca 0.05 0.04 0.05 0.00 -2.23 0.00 0.00 60.65 58.56 1f4h s ILE 836 Cb -0.13 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1f4h s ILE 836 CO -0.11 0.36 -0.23 -0.89 -1.23 0.00 0.00 174.94 172.84 1f4h s THR 837 N -1.30 1.88 0.19 2.92 2.01 -0.25 -0.32 115.64 120.77 1f4h s THR 837 Ca 0.27 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 1f4h s THR 837 Cb -0.13 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1f4h s THR 837 CO 0.17 0.53 0.15 0.42 -0.69 0.00 0.00 174.62 175.20 1f4h s THR 838 N -0.07 0.02 -0.27 -0.82 -4.23 -0.25 -2.18 115.64 107.84 1f4h s THR 838 Ca -0.05 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.35 1f4h s THR 838 Cb -0.13 -2.37 0.07 0.00 1.34 0.00 0.00 72.50 71.41 1f4h s THR 838 CO 0.04 -0.09 0.70 0.00 -0.54 0.00 0.00 174.62 174.72 1f4h s ALA 839 N -4.12 -1.80 0.05 3.99 0.00 -0.94 -2.21 121.76 116.72 1f4h s ALA 839 Ca 0.34 2.20 -0.00 0.00 0.00 0.00 0.00 51.96 54.50 1f4h s ALA 839 Cb 0.06 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1f4h s ALA 839 CO 0.10 -0.36 -0.04 -1.01 0.00 0.00 0.00 175.76 174.45 1f4h s HIS 840 N 0.99 0.53 -0.06 0.00 3.76 -0.77 -0.64 115.29 119.09 1f4h s HIS 840 Ca -0.05 -0.92 0.03 0.00 -0.15 0.00 0.00 55.06 53.98 1f4h s HIS 840 Cb -0.05 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.27 1f4h s HIS 840 CO -0.09 -0.30 -0.16 0.00 -0.85 0.00 0.00 174.74 173.34 1f4h s ALA 841 N -3.29 1.48 -0.12 -1.40 0.00 -0.54 -1.41 121.76 116.48 1f4h s ALA 841 Ca 0.03 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 1f4h s ALA 841 Cb 0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1f4h s ALA 841 CO -0.07 0.22 0.07 -1.58 0.00 0.00 0.00 175.76 174.40 1f4h s TRP 842 N 0.30 3.37 0.08 0.00 0.51 0.39 0.14 118.94 123.73 1f4h s TRP 842 Ca -0.09 0.32 -0.03 0.00 -2.12 0.00 0.00 56.10 54.18 1f4h s TRP 842 Cb -0.14 -1.91 -0.03 0.00 -0.81 0.00 0.00 33.47 30.58 1f4h s TRP 842 CO 0.03 0.53 0.03 1.14 -0.51 0.00 0.00 176.95 178.18 1f4h s GLN 843 N -0.71 0.73 -0.16 4.98 -2.07 -1.11 -1.33 119.66 120.00 1f4h s GLN 843 Ca 0.12 -1.22 -0.06 0.00 -1.82 0.00 0.00 55.36 52.38 1f4h s GLN 843 Cb -0.12 0.24 0.07 0.00 -1.09 0.00 0.00 33.01 32.12 1f4h s GLN 843 CO 0.03 -0.18 0.35 -1.58 -1.32 0.00 0.00 175.29 172.59 1f4h s HIS 844 N -3.94 -0.60 -1.41 9.60 2.46 -0.03 -2.77 115.29 118.60 1f4h s HIS 844 Ca 0.11 1.24 -0.00 0.00 0.47 0.00 0.00 55.06 56.87 1f4h s HIS 844 Cb 0.07 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.68 1f4h s HIS 844 CO -0.07 -0.40 0.41 1.04 -2.47 0.00 0.00 174.74 173.25 1f4h n GLN 845 N 5.13 -3.24 -0.96 2.88 1.13 -1.26 -1.14 117.38 119.92 1f4h n GLN 845 Ca -0.11 0.40 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1f4h n GLN 845 Cb 0.51 -4.51 0.00 0.00 0.11 0.00 0.00 30.24 26.34 1f4h n GLN 845 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1f4h n GLY 846 N -1.99 0.52 3.37 1.08 0.00 -1.26 -4.99 105.19 101.92 1f4h n GLY 846 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1f4h n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f4h s LYS 847 N -0.38 2.82 -0.46 1.61 2.36 -0.29 -5.05 119.74 120.34 1f4h s LYS 847 Ca 0.00 -1.17 -0.29 0.00 -2.55 0.00 0.00 55.97 51.96 1f4h s LYS 847 Cb 0.00 -3.82 0.02 0.00 -1.05 0.00 0.00 37.83 32.98 1f4h s LYS 847 CO 0.00 -0.79 1.33 0.99 1.55 0.00 0.00 175.35 178.42 1f4h s THR 848 N 1.56 3.98 -0.04 3.43 2.01 -1.26 -0.85 115.64 124.46 1f4h s THR 848 Ca 0.03 0.97 -0.09 0.00 0.31 0.00 0.00 61.69 62.91 1f4h s THR 848 Cb -0.20 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 1f4h s THR 848 CO 0.06 -0.91 0.43 -0.07 -0.69 0.00 0.00 174.62 173.44 1f4h h LEU 849 N 12.05 -0.26 -8.86 4.42 3.38 -1.57 -3.44 115.31 121.03 1f4h h LEU 849 Ca -0.26 0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.31 1f4h h LEU 849 Cb 1.09 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 1f4h h LEU 849 CO 1.12 0.07 -0.71 -0.36 0.09 0.00 0.00 178.44 178.64 1f4h s PHE 850 N -2.57 1.60 -0.16 1.13 0.40 -1.22 -0.90 117.98 116.27 1f4h s PHE 850 Ca -0.05 -0.69 -0.03 0.00 -0.60 0.00 0.00 56.93 55.57 1f4h s PHE 850 Cb 0.00 -0.81 0.05 0.00 0.51 0.00 0.00 43.02 42.77 1f4h s PHE 850 CO 0.14 0.21 0.03 0.42 0.70 0.00 0.00 175.22 176.72 1f4h s ILE 851 N -3.14 0.43 -0.18 0.64 1.01 -0.80 -0.46 121.20 118.70 1f4h s ILE 851 Ca 0.23 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 1f4h s ILE 851 Cb 0.02 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1f4h s ILE 851 CO 0.06 -0.08 0.21 -0.55 0.00 0.00 0.00 174.94 174.58 1f4h s SER 852 N 1.91 6.32 -0.33 3.58 0.15 -0.50 -2.30 113.70 122.53 1f4h s SER 852 Ca 0.01 0.36 -0.00 0.00 0.70 0.00 0.00 55.95 57.02 1f4h s SER 852 Cb -0.16 -2.13 0.11 0.00 -1.71 0.00 0.00 66.02 62.13 1f4h s SER 852 CO -0.07 0.14 0.12 -0.13 1.20 0.00 0.00 173.24 174.50 1f4h s ARG 853 N 0.41 0.81 0.50 5.44 0.52 -0.62 -1.86 118.95 124.15 1f4h s ARG 853 Ca 0.12 -1.24 0.03 0.00 -0.52 0.00 0.00 55.73 54.12 1f4h s ARG 853 Cb -0.12 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 33.34 1f4h s ARG 853 CO 0.01 -1.02 0.25 0.36 0.02 0.00 0.00 175.30 174.92 1f4h n LYS 854 N 4.61 0.77 -3.81 3.54 2.85 -0.94 -2.45 118.16 122.73 1f4h n LYS 854 Ca 0.00 -3.31 -0.12 0.00 -1.05 0.00 0.00 58.31 53.83 1f4h n LYS 854 Cb 0.41 0.55 -0.11 0.00 -0.65 0.00 0.00 35.03 35.22 1f4h n LYS 854 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1f4h s THR 855 N -2.61 0.01 -0.05 0.58 -4.23 -0.31 -1.09 115.64 107.93 1f4h s THR 855 Ca 0.19 -0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1f4h s THR 855 Cb -0.02 -0.34 -0.00 0.00 1.34 0.00 0.00 72.50 73.49 1f4h s THR 855 CO 0.12 -0.07 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.65 1f4h s TYR 856 N -0.17 1.82 -0.20 3.99 1.51 0.56 -1.74 117.35 123.13 1f4h s TYR 856 Ca -0.03 -0.57 -0.03 0.00 -1.01 0.00 0.00 57.07 55.43 1f4h s TYR 856 Cb -0.03 -1.24 0.06 0.00 -0.11 0.00 0.00 41.96 40.65 1f4h s TYR 856 CO 0.01 -0.21 0.06 0.50 -1.11 0.00 0.00 175.55 174.79 1f4h s ARG 857 N 0.13 0.47 -0.27 -0.62 3.52 -0.74 0.80 118.95 122.24 1f4h s ARG 857 Ca -0.07 -0.35 -0.10 0.00 -0.13 0.00 0.00 55.73 55.08 1f4h s ARG 857 Cb -0.13 -2.00 -0.04 0.00 -1.56 0.00 0.00 34.95 31.22 1f4h s ARG 857 CO 0.03 -0.68 0.14 0.42 -0.81 0.00 0.00 175.30 174.41 1f4h s ILE 858 N 1.94 4.92 0.46 4.11 1.01 -0.42 -1.12 121.20 132.11 1f4h s ILE 858 Ca 0.01 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1f4h s ILE 858 Cb -0.17 -3.33 0.04 0.00 0.01 0.00 0.00 42.46 39.01 1f4h s ILE 858 CO -0.10 0.29 0.33 -0.90 0.00 0.00 0.00 174.94 174.56 1f4h n ASP 859 N 5.00 2.53 0.05 3.58 5.68 -1.05 0.18 116.55 132.52 1f4h n ASP 859 Ca -0.15 -2.62 0.21 0.00 -0.50 0.00 0.00 54.79 51.73 1f4h n ASP 859 Cb 0.52 -0.02 0.73 0.00 -1.14 0.00 0.00 41.12 41.21 1f4h n ASP 859 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1f4h h GLY 860 N 0.58 0.00 2.00 6.12 0.00 -1.77 0.69 103.07 110.69 1f4h h GLY 860 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1f4h h GLY 860 CO 0.47 0.00 0.00 1.76 0.00 0.00 0.00 176.54 178.77 1f4h h SER 861 N 0.00 0.00 -0.52 0.19 0.02 -1.91 -3.42 113.55 107.91 1f4h h SER 861 Ca 0.23 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 1f4h h SER 861 Cb 1.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1f4h h SER 861 CO -0.00 0.00 -0.12 0.61 -1.14 0.00 0.00 176.83 176.17 1f4h n GLY 862 N -0.65 0.51 3.52 -3.77 0.00 0.24 -5.02 105.19 100.01 1f4h n GLY 862 Ca -0.01 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 1f4h n GLY 862 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1f4h s GLN 863 N -3.30 2.25 -0.28 1.61 -2.07 -1.25 -4.78 119.66 111.84 1f4h s GLN 863 Ca 0.00 -0.89 -0.09 0.00 -1.82 0.00 0.00 55.36 52.56 1f4h s GLN 863 Cb 0.00 -2.31 -0.03 0.00 -1.09 0.00 0.00 33.01 29.58 1f4h s GLN 863 CO 0.00 0.56 0.14 0.00 -1.32 0.00 0.00 175.29 174.67 1f4h s MET 864 N -1.50 3.66 -0.56 9.60 0.23 0.95 -2.53 119.30 129.15 1f4h s MET 864 Ca 0.16 -0.50 -0.16 0.00 -1.03 0.00 0.00 55.69 54.16 1f4h s MET 864 Cb -0.11 -3.52 0.13 0.00 -1.53 0.00 0.00 34.83 29.80 1f4h s MET 864 CO 0.07 -0.26 0.54 0.00 -2.03 0.00 0.00 175.02 173.34 1f4h s ALA 865 N 1.67 3.64 -0.24 3.16 0.00 -0.27 0.13 121.76 129.85 1f4h s ALA 865 Ca 0.06 -2.54 -0.14 0.00 0.00 0.00 0.00 51.96 49.34 1f4h s ALA 865 Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1f4h s ALA 865 CO 0.07 -2.07 0.32 0.42 0.00 0.00 0.00 175.76 174.50 1f4h s ILE 866 N 1.66 5.24 -0.25 0.00 1.01 0.24 -1.80 121.20 127.30 1f4h s ILE 866 Ca 0.05 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.21 1f4h s ILE 866 Cb -0.28 -3.65 0.07 0.00 0.01 0.00 0.00 42.46 38.60 1f4h s ILE 866 CO 0.03 0.25 -0.03 -0.89 0.00 0.00 0.00 174.94 174.29 1f4h s THR 867 N 1.49 1.53 0.04 2.92 2.01 -0.71 -0.11 115.64 122.81 1f4h s THR 867 Ca 0.14 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 60.82 1f4h s THR 867 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1f4h s THR 867 CO 0.08 -0.20 0.12 -0.69 -0.69 0.00 0.00 174.62 173.24 1f4h s VAL 868 N 1.38 4.89 -0.22 3.82 1.01 0.27 -1.17 120.40 130.38 1f4h s VAL 868 Ca -0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1f4h s VAL 868 Cb -0.19 -3.32 0.11 0.00 0.00 0.00 0.00 36.38 32.99 1f4h s VAL 868 CO -0.08 0.22 0.30 -1.81 0.00 0.00 0.00 175.10 173.73 1f4h s ASP 869 N -2.15 0.79 0.05 3.32 1.11 -1.03 -0.66 116.67 118.10 1f4h s ASP 869 Ca 0.28 0.03 -0.05 0.00 0.18 0.00 0.00 52.55 52.99 1f4h s ASP 869 Cb -0.12 0.75 -0.05 0.00 1.07 0.00 0.00 42.92 44.57 1f4h s ASP 869 CO 0.20 -0.31 0.28 -0.69 1.18 0.00 0.00 175.17 175.84 1f4h s VAL 870 N 2.44 5.28 -0.21 -1.27 1.01 0.22 -1.60 120.40 126.27 1f4h s VAL 870 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1f4h s VAL 870 Cb -0.15 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1f4h s VAL 870 CO -0.14 0.26 -0.13 -0.70 0.00 0.00 0.00 175.10 174.39 1f4h s GLU 871 N -2.07 2.37 -0.11 2.72 2.12 -0.97 -1.21 118.70 121.55 1f4h s GLU 871 Ca 0.32 -0.99 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 1f4h s GLU 871 Cb -0.13 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 1f4h s GLU 871 CO 0.20 -0.41 -0.00 0.08 -0.54 0.00 0.00 175.26 174.59 1f4h s VAL 872 N 1.28 4.27 0.14 3.70 1.01 0.22 -1.91 120.40 129.10 1f4h s VAL 872 Ca -0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 1f4h s VAL 872 Cb -0.16 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 1f4h s VAL 872 CO -0.09 0.57 1.33 0.00 0.00 0.00 0.00 175.10 176.92 1f4h s ALA 873 N -0.54 3.54 0.30 5.51 0.00 -0.08 -4.65 121.76 125.85 1f4h s ALA 873 Ca 0.09 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.19 1f4h s ALA 873 Cb -0.12 -3.50 0.76 0.00 0.00 0.00 0.00 23.12 20.26 1f4h s ALA 873 CO 0.02 -0.56 1.76 0.66 0.00 0.00 0.00 175.76 177.65 1f4h h SER 874 N 6.27 0.73 -0.46 0.00 4.64 -1.95 0.12 113.55 122.90 1f4h h SER 874 Ca -0.43 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1f4h h SER 874 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1f4h h SER 874 CO 0.82 0.22 0.00 -0.90 -0.87 0.00 0.00 176.83 176.11 1f4h n ASP 875 N -4.81 2.48 -4.89 4.97 3.85 -1.26 -4.87 116.55 112.02 1f4h n ASP 875 Ca 0.24 -2.01 -0.35 0.00 -0.71 0.00 0.00 54.79 51.96 1f4h n ASP 875 Cb 0.61 -0.31 -0.05 0.00 -1.35 0.00 0.00 41.12 40.01 1f4h n ASP 875 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1f4h s THR 876 N -1.40 5.41 0.93 2.12 -1.32 0.40 -5.05 115.64 116.73 1f4h s THR 876 Ca 0.31 0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.80 1f4h s THR 876 Cb 0.16 -3.50 0.11 0.00 -1.51 0.00 0.00 72.50 67.75 1f4h s THR 876 CO 0.21 0.46 0.85 -2.65 -2.21 0.00 0.00 174.62 171.28 1f4h n PRO 877 N 1.43 -0.41 -2.58 7.08 -0.02 -1.26 -4.85 135.00 134.39 1f4h n PRO 877 Ca -0.15 -0.06 -0.40 0.00 -2.02 0.00 0.00 63.50 60.87 1f4h n PRO 877 Cb 0.54 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1f4h n PRO 877 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1f4h s HIS 878 N -2.54 3.73 0.46 6.00 3.76 -1.26 -4.98 115.29 120.45 1f4h s HIS 878 Ca 0.63 1.78 -0.23 0.00 -0.15 0.00 0.00 55.06 57.09 1f4h s HIS 878 Cb -0.22 -3.16 -0.07 0.00 1.11 0.00 0.00 32.58 30.23 1f4h s HIS 878 CO 0.62 -0.16 1.18 -1.25 -0.85 0.00 0.00 174.74 174.27 1f4h s PRO 879 N -1.38 3.73 0.44 8.40 0.04 -1.26 -4.92 135.00 140.05 1f4h s PRO 879 Ca 0.44 1.82 0.26 0.00 0.04 0.00 0.00 61.00 63.55 1f4h s PRO 879 Cb -0.29 -2.42 0.69 0.00 0.04 0.00 0.00 34.50 32.52 1f4h s PRO 879 CO 0.37 -0.58 1.73 0.00 0.04 0.00 0.00 177.00 178.56 1f4h h ALA 880 N 2.05 1.00 -2.17 8.56 0.00 -1.92 -3.38 119.26 123.41 1f4h h ALA 880 Ca -0.49 0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.60 1f4h h ALA 880 Cb 1.25 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 1f4h h ALA 880 CO 0.60 0.00 0.54 -0.98 0.00 0.00 0.00 179.25 179.42 1f4h s ARG 881 N -3.32 0.94 -0.26 0.00 1.70 -1.23 0.47 118.95 117.25 1f4h s ARG 881 Ca 0.06 -0.47 -0.01 0.00 -0.47 0.00 0.00 55.73 54.83 1f4h s ARG 881 Cb 0.07 0.35 0.14 0.00 -0.57 0.00 0.00 34.95 34.94 1f4h s ARG 881 CO 0.62 -0.43 0.36 0.42 -1.08 0.00 0.00 175.30 175.19 1f4h s ILE 882 N -3.09 -0.55 0.00 4.99 1.01 0.45 -4.06 121.20 119.95 1f4h s ILE 882 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1f4h s ILE 882 Cb -0.00 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1f4h s ILE 882 CO -0.02 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.30 1f4h n GLY 883 N 5.35 2.12 3.23 6.18 0.00 -0.83 0.59 105.19 121.82 1f4h n GLY 883 Ca -0.02 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 1f4h n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f4h s LEU 884 N 0.00 2.38 0.04 0.99 1.43 -0.40 -0.33 118.68 122.79 1f4h s LEU 884 Ca 0.00 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1f4h s LEU 884 Cb 0.00 -0.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 1f4h s LEU 884 CO 0.00 -0.13 -0.02 0.54 0.23 0.00 0.00 176.35 176.97 1f4h s ASN 885 N -2.34 0.39 0.02 2.29 4.22 0.29 -1.23 114.94 118.58 1f4h s ASN 885 Ca 0.07 -0.81 -0.28 0.00 -2.14 0.00 0.00 52.86 49.70 1f4h s ASN 885 Cb -0.06 0.17 0.10 0.00 1.28 0.00 0.00 41.25 42.74 1f4h s ASN 885 CO 0.03 -0.50 0.83 0.00 -2.04 0.00 0.00 177.10 175.41 1f4h s GLN 887 N -3.07 3.59 0.12 0.00 0.74 -1.24 -2.01 119.66 117.79 1f4h s GLN 887 Ca 0.03 -0.52 -0.12 0.00 0.05 0.00 0.00 55.36 54.80 1f4h s GLN 887 Cb -0.01 -3.18 -0.06 0.00 1.10 0.00 0.00 33.01 30.86 1f4h s GLN 887 CO -0.09 -0.13 0.48 -0.51 -0.55 0.00 0.00 175.29 174.50 1f4h s LEU 888 N 1.39 4.33 0.02 3.68 1.43 0.26 -0.78 118.68 129.01 1f4h s LEU 888 Ca 0.05 0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 53.91 1f4h s LEU 888 Cb -0.15 -3.16 -0.35 0.00 0.03 0.00 0.00 46.19 42.56 1f4h s LEU 888 CO 0.01 0.12 0.99 0.00 0.23 0.00 0.00 176.35 177.70 1f4h h ALA 889 N 3.55 -0.15 -2.26 4.21 0.00 0.93 1.78 119.26 127.32 1f4h h ALA 889 Ca -0.49 -0.82 -0.52 0.00 0.00 0.00 0.00 54.91 53.08 1f4h h ALA 889 Cb 1.19 0.16 0.20 0.00 0.00 0.00 0.00 17.79 19.34 1f4h h ALA 889 CO 0.66 0.63 0.05 1.04 0.00 0.00 0.00 179.25 181.63 1f4h n GLN 890 N -3.80 -0.41 -3.45 0.00 3.00 -1.26 -4.56 117.38 106.90 1f4h n GLN 890 Ca -0.16 -0.06 -0.18 0.00 -0.01 0.00 0.00 57.00 56.59 1f4h n GLN 890 Cb 1.05 -2.26 -0.11 0.00 0.00 0.00 0.00 30.24 28.91 1f4h n GLN 890 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1f4h s VAL 891 N -2.57 -0.36 0.34 5.09 1.01 -1.26 -3.20 120.40 119.45 1f4h s VAL 891 Ca 0.65 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.43 1f4h s VAL 891 Cb -0.23 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1f4h s VAL 891 CO 0.60 -0.31 0.27 0.00 0.00 0.00 0.00 175.10 175.65 1f4h s ALA 892 N 2.35 3.79 0.07 5.51 0.00 -1.26 -5.05 121.76 127.17 1f4h s ALA 892 Ca 0.08 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.35 1f4h s ALA 892 Cb -0.15 -1.08 -0.25 0.00 0.00 0.00 0.00 23.12 21.64 1f4h s ALA 892 CO -0.21 -0.00 1.12 1.49 0.00 0.00 0.00 175.76 178.16 1f4h h GLU 893 N 1.29 0.15 -5.72 0.00 4.81 -2.00 -3.42 114.58 109.69 1f4h h GLU 893 Ca -0.44 -0.26 -0.52 0.00 -0.13 0.00 0.00 59.36 58.01 1f4h h GLU 893 Cb 1.25 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.59 1f4h h GLU 893 CO 0.59 1.08 -0.71 1.03 -0.73 0.00 0.00 179.01 180.27 1f4h s ARG 894 N -2.67 1.56 -0.03 1.92 1.81 -1.26 -0.68 118.95 119.60 1f4h s ARG 894 Ca -0.03 -1.75 0.00 0.00 -1.72 0.00 0.00 55.73 52.23 1f4h s ARG 894 Cb 0.08 -1.34 0.03 0.00 -0.45 0.00 0.00 34.95 33.26 1f4h s ARG 894 CO 0.85 0.15 0.00 0.08 -0.68 0.00 0.00 175.30 175.70 1f4h s VAL 895 N -2.85 0.17 -0.06 3.52 1.01 0.34 -4.64 120.40 117.88 1f4h s VAL 895 Ca 0.28 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1f4h s VAL 895 Cb 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1f4h s VAL 895 CO 0.12 0.15 -0.06 0.21 0.00 0.00 0.00 175.10 175.51 1f4h s ASN 896 N 1.11 1.44 0.23 3.32 3.84 -1.05 -2.17 114.94 121.65 1f4h s ASN 896 Ca -0.09 -0.19 -0.06 0.00 0.21 0.00 0.00 52.86 52.73 1f4h s ASN 896 Cb -0.13 -0.61 -0.02 0.00 -0.55 0.00 0.00 41.25 39.94 1f4h s ASN 896 CO -0.02 -0.06 0.30 -1.66 -2.79 0.00 0.00 177.10 172.87 1f4h s TRP 897 N 1.10 0.80 -0.25 0.43 -2.14 -0.46 0.49 118.94 118.90 1f4h s TRP 897 Ca -0.08 -1.08 0.02 0.00 2.66 0.00 0.00 56.10 57.63 1f4h s TRP 897 Cb -0.14 -0.20 0.06 0.00 -3.10 0.00 0.00 33.47 30.09 1f4h s TRP 897 CO -0.01 -0.82 -0.09 -1.17 -2.66 0.00 0.00 176.95 172.20 1f4h s LEU 898 N -3.10 3.25 0.00 -4.66 2.96 0.31 0.51 118.68 117.95 1f4h s LEU 898 Ca 0.31 -1.35 0.00 0.00 -0.22 0.00 0.00 54.13 52.87 1f4h s LEU 898 Cb 0.03 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.26 1f4h s LEU 898 CO 0.11 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.55 1f4h n GLY 899 N 4.49 -0.67 3.78 7.98 0.00 -0.66 -1.23 105.19 118.87 1f4h n GLY 899 Ca -0.13 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 1f4h n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f4h s LEU 900 N 0.00 4.27 0.00 0.99 1.43 -1.11 -0.29 118.68 123.97 1f4h s LEU 900 Ca 0.00 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1f4h s LEU 900 Cb 0.00 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.17 1f4h s LEU 900 CO 0.00 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1f4h n GLY 901 N 0.53 -0.53 0.21 -3.19 0.00 0.14 -4.51 105.19 97.84 1f4h n GLY 901 Ca 0.03 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.25 1f4h n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f4h h PRO 902 N 0.00 0.00 -7.27 1.61 0.13 -1.92 -1.38 132.00 123.17 1f4h h PRO 902 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1f4h h PRO 902 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 1f4h h PRO 902 CO 0.00 0.31 0.32 1.14 -0.23 0.00 0.00 178.00 179.54 1f4h s GLN 903 N -4.06 3.26 -0.04 0.86 1.03 -1.26 -5.00 119.66 114.45 1f4h s GLN 903 Ca -0.02 0.44 -0.38 0.00 0.04 0.00 0.00 55.36 55.43 1f4h s GLN 903 Cb 0.13 -2.15 -0.17 0.00 0.03 0.00 0.00 33.01 30.85 1f4h s GLN 903 CO 0.68 -0.66 1.44 -1.91 -2.54 0.00 0.00 175.29 172.30 1f4h n GLU 904 N -2.70 1.04 -3.75 9.60 2.13 -1.26 -4.87 120.64 120.82 1f4h n GLU 904 Ca 0.05 0.38 -0.12 0.00 0.66 0.00 0.00 57.16 58.12 1f4h n GLU 904 Cb 0.56 -2.02 -0.11 0.00 0.27 0.00 0.00 31.44 30.14 1f4h n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1f4h s ASN 905 N 1.36 -0.34 0.44 4.31 2.20 0.11 -4.92 114.94 118.10 1f4h s ASN 905 Ca 0.89 0.65 0.06 0.00 -0.94 0.00 0.00 52.86 53.53 1f4h s ASN 905 Cb -1.02 0.62 -0.04 0.00 -2.00 0.00 0.00 41.25 38.80 1f4h s ASN 905 CO 0.54 -0.13 0.15 -0.31 -2.94 0.00 0.00 177.10 174.40 1f4h s TYR 906 N 0.56 2.38 0.28 1.54 1.51 -1.08 -3.23 117.35 119.31 1f4h s TYR 906 Ca -0.03 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1f4h s TYR 906 Cb -0.05 -1.87 0.57 0.00 -0.11 0.00 0.00 41.96 40.50 1f4h s TYR 906 CO -0.03 0.17 1.80 -1.35 -1.11 0.00 0.00 175.55 175.03 1f4h h PRO 907 N 1.41 0.80 -0.66 -1.71 0.11 -1.87 0.23 132.00 130.31 1f4h h PRO 907 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1f4h h PRO 907 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1f4h h PRO 907 CO 0.71 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.63 1f4h n ASP 908 N -4.73 4.32 -2.85 -2.05 5.75 -1.26 -4.20 116.55 111.53 1f4h n ASP 908 Ca 0.19 -2.32 -0.12 0.00 -0.01 0.00 0.00 54.79 52.53 1f4h n ASP 908 Cb 0.42 -0.54 0.03 0.00 -1.03 0.00 0.00 41.12 40.00 1f4h n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1f4h n ARG 909 N 1.17 1.08 0.00 0.11 0.63 0.75 -0.65 116.66 119.76 1f4h n ARG 909 Ca 0.24 -2.94 0.00 0.00 -0.92 0.00 0.00 57.85 54.23 1f4h n ARG 909 Cb 0.78 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 32.49 1f4h n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1f4h n LEU 910 N 0.03 0.68 0.15 6.15 -0.00 -0.85 -2.62 117.00 120.53 1f4h n LEU 910 Ca 0.12 -0.68 0.06 0.00 -0.00 0.00 0.00 56.01 55.52 1f4h n LEU 910 Cb 0.76 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 44.72 1f4h n LEU 910 CO 0.17 0.17 1.10 0.71 -0.00 0.00 0.00 177.39 179.54 1f4h h THR 911 N 0.39 1.05 0.00 1.47 1.35 -1.91 -1.62 112.91 113.65 1f4h h THR 911 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1f4h h THR 911 Cb 0.20 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1f4h h THR 911 CO 0.00 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.32 1f4h n ALA 912 N -2.51 1.90 -2.08 6.62 0.00 -1.26 -4.85 120.51 118.33 1f4h n ALA 912 Ca -0.01 -0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1f4h n ALA 912 Cb 0.09 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 1f4h n ALA 912 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4h s ALA 913 N -3.04 3.43 0.08 0.00 0.00 -0.61 -4.98 121.76 116.64 1f4h s ALA 913 Ca 0.09 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.31 1f4h s ALA 913 Cb 0.12 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1f4h s ALA 913 CO 0.38 0.32 -0.07 0.00 0.00 0.00 0.00 175.76 176.39 1f4h s PHE 915 N -1.18 3.46 -2.20 0.00 5.36 -1.24 0.26 117.98 122.44 1f4h s PHE 915 Ca 0.21 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 56.91 1f4h s PHE 915 Cb -0.11 -2.47 0.00 0.00 -0.34 0.00 0.00 43.02 40.09 1f4h s PHE 915 CO 0.13 0.15 0.00 -3.47 -1.46 0.00 0.00 175.22 170.57 1f4h n ASP 916 N 3.81 0.00 -4.61 6.13 -0.08 0.61 -4.92 116.55 117.48 1f4h n ASP 916 Ca -0.09 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.78 1f4h n ASP 916 Cb 0.52 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.92 1f4h n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1f4h s ARG 917 N -1.81 3.98 -0.00 -0.67 3.52 -1.26 -1.65 118.95 121.05 1f4h s ARG 917 Ca 0.00 0.52 0.02 0.00 -0.13 0.00 0.00 55.73 56.14 1f4h s ARG 917 Cb 0.00 -3.71 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 1f4h s ARG 917 CO 0.00 -0.59 -0.04 -1.58 -0.81 0.00 0.00 175.30 172.28 1f4h s TRP 918 N 2.77 2.98 -0.12 5.12 0.52 0.18 -4.96 118.94 125.43 1f4h s TRP 918 Ca 0.29 0.02 -0.04 0.00 0.02 0.00 0.00 56.10 56.40 1f4h s TRP 918 Cb -0.15 -1.64 0.06 0.00 -1.15 0.00 0.00 33.47 30.59 1f4h s TRP 918 CO 0.11 0.41 0.13 0.34 0.02 0.00 0.00 176.95 177.97 1f4h s ASP 919 N -1.43 1.39 0.09 2.95 -1.08 -1.26 -1.36 116.67 115.96 1f4h s ASP 919 Ca 0.18 -0.09 -0.15 0.00 -0.52 0.00 0.00 52.55 51.97 1f4h s ASP 919 Cb -0.11 0.07 0.03 0.00 -1.46 0.00 0.00 42.92 41.44 1f4h s ASP 919 CO 0.08 -0.29 0.36 -0.76 0.52 0.00 0.00 175.17 175.08 1f4h s LEU 920 N 2.23 0.63 0.55 -1.34 1.02 -0.92 -5.01 118.68 115.84 1f4h s LEU 920 Ca 0.04 -0.28 -0.22 0.00 0.02 0.00 0.00 54.13 53.69 1f4h s LEU 920 Cb -0.14 1.62 -0.05 0.00 0.02 0.00 0.00 46.19 47.64 1f4h s LEU 920 CO -0.07 -0.76 1.35 -2.16 0.02 0.00 0.00 176.35 174.74 1f4h s PRO 921 N -3.33 3.12 0.43 1.29 0.04 -1.26 -0.51 135.00 134.78 1f4h s PRO 921 Ca 0.00 2.22 0.21 0.00 0.04 0.00 0.00 61.00 63.48 1f4h s PRO 921 Cb 0.01 -2.24 1.18 0.00 0.04 0.00 0.00 34.50 33.49 1f4h s PRO 921 CO -0.08 -1.20 1.79 1.25 0.04 0.00 0.00 177.00 178.79 1f4h h LEU 922 N 1.42 0.36 -2.38 -3.56 5.85 -1.15 -0.00 115.31 115.85 1f4h h LEU 922 Ca -0.51 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.30 1f4h h LEU 922 Cb 1.30 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1f4h h LEU 922 CO 0.57 0.08 0.19 0.77 -0.34 0.00 0.00 178.44 179.70 1f4h h SER 923 N 0.32 0.00 0.03 1.25 4.64 -1.91 -2.02 113.55 115.87 1f4h h SER 923 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1f4h h SER 923 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1f4h h SER 923 CO -0.23 0.00 -0.35 0.47 -0.87 0.00 0.00 176.83 175.85 1f4h n ASP 924 N -3.32 1.93 -0.94 4.97 9.92 -0.02 -3.90 116.55 125.19 1f4h n ASP 924 Ca -0.01 -1.45 0.10 0.00 -0.53 0.00 0.00 54.79 52.91 1f4h n ASP 924 Cb 0.27 0.32 0.27 0.00 -0.64 0.00 0.00 41.12 41.34 1f4h n ASP 924 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1f4h n MET 925 N 0.04 2.21 -4.76 -1.24 2.81 -0.76 -4.81 117.12 110.61 1f4h n MET 925 Ca 0.11 -1.84 -0.26 0.00 -1.81 0.00 0.00 57.70 53.90 1f4h n MET 925 Cb 0.46 -1.45 -0.16 0.00 -0.71 0.00 0.00 33.22 31.35 1f4h n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1f4h s TYR 926 N -1.49 1.69 -0.38 2.03 5.04 -1.25 -4.53 117.35 118.46 1f4h s TYR 926 Ca 0.36 -0.59 -0.07 0.00 -2.44 0.00 0.00 57.07 54.33 1f4h s TYR 926 Cb 0.20 -1.18 0.06 0.00 0.35 0.00 0.00 41.96 41.39 1f4h s TYR 926 CO 0.28 -0.26 0.18 0.99 -1.34 0.00 0.00 175.55 175.39 1f4h s THR 927 N 0.40 3.89 -0.00 4.34 2.01 -1.26 -4.99 115.64 120.02 1f4h s THR 927 Ca -0.12 -1.35 -0.02 0.00 0.31 0.00 0.00 61.69 60.52 1f4h s THR 927 Cb -0.15 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 1f4h s THR 927 CO 0.04 -0.36 1.48 -0.81 -0.69 0.00 0.00 174.62 174.28 1f4h n PRO 928 N 4.82 0.63 -1.68 4.92 -0.04 -1.26 -4.91 135.00 137.48 1f4h n PRO 928 Ca -0.10 -0.31 -0.44 0.00 -0.04 0.00 0.00 63.50 62.60 1f4h n PRO 928 Cb 0.44 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 1f4h n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1f4h n TYR 929 N 2.84 2.30 -0.15 0.54 0.53 -1.26 -4.81 117.16 117.16 1f4h n TYR 929 Ca 0.13 0.38 -0.03 0.00 -1.02 0.00 0.00 57.90 57.37 1f4h n TYR 929 Cb 0.29 -2.49 0.06 0.00 -1.03 0.00 0.00 39.34 36.16 1f4h n TYR 929 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1f4h h VAL 930 N 3.15 0.77 -3.12 -0.72 2.07 -1.97 -3.30 116.25 113.14 1f4h h VAL 930 Ca -0.45 -0.09 -0.75 0.00 0.82 0.00 0.00 66.70 66.22 1f4h h VAL 930 Cb 1.26 0.48 -0.23 0.00 -1.52 0.00 0.00 31.29 31.28 1f4h h VAL 930 CO 0.78 0.05 -0.13 0.12 0.02 0.00 0.00 177.57 178.40 1f4h s PHE 931 N -6.14 3.26 0.33 1.57 5.36 -1.26 -0.88 117.98 120.21 1f4h s PHE 931 Ca -0.13 -1.30 -0.27 0.00 -0.96 0.00 0.00 56.93 54.27 1f4h s PHE 931 Cb 0.15 -3.84 -0.13 0.00 -0.34 0.00 0.00 43.02 38.86 1f4h s PHE 931 CO 0.73 -1.06 0.95 -2.30 -1.46 0.00 0.00 175.22 172.07 1f4h n PRO 932 N 5.31 1.24 -1.30 10.12 -0.02 -1.24 -4.89 135.00 144.21 1f4h n PRO 932 Ca -0.11 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1f4h n PRO 932 Cb 0.41 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1f4h n PRO 932 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1f4h n SER 933 N 1.09 0.00 -4.77 2.55 3.41 -1.26 -4.72 113.62 109.92 1f4h n SER 933 Ca 0.10 -0.99 -0.39 0.00 -0.26 0.00 0.00 58.87 57.32 1f4h n SER 933 Cb 0.34 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1f4h n SER 933 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1f4h s GLU 934 N -1.98 4.32 0.26 4.33 2.56 0.56 -4.91 118.70 123.83 1f4h s GLU 934 Ca 0.00 1.90 -0.22 0.00 0.00 0.00 0.00 54.97 56.66 1f4h s GLU 934 Cb 0.00 -2.93 0.03 0.00 2.00 0.00 0.00 34.13 33.22 1f4h s GLU 934 CO 0.00 -0.10 0.76 0.54 -0.56 0.00 0.00 175.26 175.89 1f4h s ASN 935 N -0.91 -0.25 0.00 -1.70 2.20 -1.26 -4.86 114.94 108.15 1f4h s ASN 935 Ca 0.51 -0.57 0.00 0.00 -0.94 0.00 0.00 52.86 51.86 1f4h s ASN 935 Cb -0.33 0.69 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 1f4h s ASN 935 CO 0.42 -1.27 0.00 0.61 -2.94 0.00 0.00 177.10 173.92 1f4h n GLY 936 N -0.46 0.77 3.65 0.45 0.00 -1.26 -4.82 105.19 103.52 1f4h n GLY 936 Ca -0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.50 1f4h n GLY 936 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f4h n LEU 937 N 0.00 2.74 -4.24 0.99 7.94 -1.26 -4.75 117.00 118.42 1f4h n LEU 937 Ca 0.00 1.09 -0.34 0.00 -1.11 0.00 0.00 56.01 55.65 1f4h n LEU 937 Cb 0.00 -1.37 -0.14 0.00 0.53 0.00 0.00 43.42 42.44 1f4h n LEU 937 CO 0.00 -0.48 -0.42 -0.13 -1.11 0.00 0.00 177.39 175.25 1f4h s ARG 938 N 0.79 3.11 0.45 1.96 1.81 -0.82 0.06 118.95 126.30 1f4h s ARG 938 Ca 0.80 -0.79 -0.03 0.00 -1.72 0.00 0.00 55.73 53.99 1f4h s ARG 938 Cb -0.75 -2.93 0.09 0.00 -0.45 0.00 0.00 34.95 30.92 1f4h s ARG 938 CO 0.40 -0.28 0.61 0.00 -0.68 0.00 0.00 175.30 175.36 1f4h n GLY 940 N 0.58 -0.41 3.73 0.00 0.00 -1.26 -2.76 105.19 105.08 1f4h n GLY 940 Ca 0.09 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1f4h n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4h s THR 941 N -3.41 4.98 -0.17 2.61 2.01 -0.05 -4.02 115.64 117.60 1f4h s THR 941 Ca 0.62 1.43 0.12 0.00 0.31 0.00 0.00 61.69 64.17 1f4h s THR 941 Cb -0.34 -4.03 -0.18 0.00 0.01 0.00 0.00 72.50 67.97 1f4h s THR 941 CO 0.92 0.30 0.34 0.54 -0.69 0.00 0.00 174.62 176.03 1f4h n ARG 942 N 3.46 1.10 -3.64 4.92 5.12 -0.37 -0.97 116.66 126.28 1f4h n ARG 942 Ca -0.02 -0.08 -0.08 0.00 -1.93 0.00 0.00 57.85 55.74 1f4h n ARG 942 Cb 0.51 -1.23 -0.07 0.00 -1.16 0.00 0.00 32.46 30.51 1f4h n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1f4h s GLU 943 N -2.67 0.68 -0.04 5.56 2.12 -1.23 -1.62 118.70 121.51 1f4h s GLU 943 Ca -0.02 1.11 0.01 0.00 0.36 0.00 0.00 54.97 56.43 1f4h s GLU 943 Cb 0.08 0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.67 1f4h s GLU 943 CO 0.51 -0.13 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.92 1f4h s LEU 944 N 1.39 1.20 -0.23 2.70 2.96 -0.53 -0.53 118.68 125.63 1f4h s LEU 944 Ca -0.08 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1f4h s LEU 944 Cb -0.05 -0.31 0.04 0.00 0.50 0.00 0.00 46.19 46.37 1f4h s LEU 944 CO -0.16 -0.09 -0.13 0.20 -1.32 0.00 0.00 176.35 174.85 1f4h s ASN 945 N 1.02 3.94 -0.07 3.68 0.01 0.18 -1.85 114.94 121.85 1f4h s ASN 945 Ca -0.10 -1.02 0.01 0.00 -0.71 0.00 0.00 52.86 51.05 1f4h s ASN 945 Cb -0.14 -1.55 0.02 0.00 0.41 0.00 0.00 41.25 39.99 1f4h s ASN 945 CO -0.01 -0.11 -0.09 -0.47 -1.51 0.00 0.00 177.10 174.91 1f4h s TYR 946 N 1.22 1.26 0.00 2.20 5.04 -0.00 -2.52 117.35 124.55 1f4h s TYR 946 Ca -0.02 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 1f4h s TYR 946 Cb -0.17 -1.00 0.00 0.00 0.35 0.00 0.00 41.96 41.14 1f4h s TYR 946 CO -0.08 -0.31 0.00 0.41 -1.34 0.00 0.00 175.55 174.23 1f4h n GLY 947 N 4.19 2.35 0.17 8.97 0.00 -1.26 0.05 105.19 119.66 1f4h n GLY 947 Ca -0.20 0.38 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1f4h n GLY 947 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f4h h PRO 948 N 0.00 0.00 -6.21 1.61 0.13 -1.96 -3.47 132.00 122.10 1f4h h PRO 948 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1f4h h PRO 948 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1f4h h PRO 948 CO 0.00 0.00 -0.37 -1.01 -0.23 0.00 0.00 178.00 176.39 1f4h s HIS 949 N -3.25 3.48 -0.14 1.56 3.76 0.11 -0.87 115.29 119.94 1f4h s HIS 949 Ca 0.05 0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 55.10 1f4h s HIS 949 Cb 0.08 -1.74 0.07 0.00 1.11 0.00 0.00 32.58 32.09 1f4h s HIS 949 CO 0.71 0.39 0.28 -1.14 -0.85 0.00 0.00 174.74 174.13 1f4h s GLN 950 N -3.61 0.17 -0.10 1.40 0.74 0.33 -0.82 119.66 117.76 1f4h s GLN 950 Ca 0.37 0.78 -0.02 0.00 0.05 0.00 0.00 55.36 56.53 1f4h s GLN 950 Cb -0.10 -0.00 -0.03 0.00 1.10 0.00 0.00 33.01 33.97 1f4h s GLN 950 CO 0.30 -0.28 -0.00 -1.58 -0.55 0.00 0.00 175.29 173.17 1f4h s TRP 951 N 2.44 3.14 0.07 1.67 0.51 -0.77 -1.89 118.94 124.12 1f4h s TRP 951 Ca 0.01 0.11 0.07 0.00 -2.12 0.00 0.00 56.10 54.17 1f4h s TRP 951 Cb -0.12 -1.83 -0.03 0.00 -0.81 0.00 0.00 33.47 30.68 1f4h s TRP 951 CO -0.09 0.37 -0.19 1.03 -0.51 0.00 0.00 176.95 177.56 1f4h s ARG 952 N -0.61 1.10 0.00 4.98 0.52 -0.69 -1.46 118.95 122.79 1f4h s ARG 952 Ca 0.10 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 1f4h s ARG 952 Cb -0.12 -1.24 0.00 0.00 0.52 0.00 0.00 34.95 34.11 1f4h s ARG 952 CO 0.02 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1f4h n GLY 953 N 1.41 0.64 3.19 -3.53 0.00 -0.64 -1.59 105.19 104.67 1f4h n GLY 953 Ca -0.19 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 1f4h n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f4h s ASP 954 N -4.00 5.06 0.19 1.61 -1.08 -1.25 -3.04 116.67 114.16 1f4h s ASP 954 Ca 0.00 -1.39 -0.19 0.00 -0.52 0.00 0.00 52.55 50.45 1f4h s ASP 954 Cb 0.00 -1.77 0.04 0.00 -1.46 0.00 0.00 42.92 39.73 1f4h s ASP 954 CO 0.00 -0.33 0.54 0.72 0.52 0.00 0.00 175.17 176.62 1f4h s PHE 955 N 1.27 -0.22 0.21 -5.34 -0.12 -0.15 -4.87 117.98 108.76 1f4h s PHE 955 Ca -0.02 -0.10 0.04 0.00 -0.05 0.00 0.00 56.93 56.80 1f4h s PHE 955 Cb -0.20 0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 1f4h s PHE 955 CO -0.01 -0.91 0.34 -0.65 -0.05 0.00 0.00 175.22 173.95 1f4h s GLN 956 N -3.84 3.44 0.02 1.99 -1.52 0.90 -0.87 119.66 119.79 1f4h s GLN 956 Ca 0.07 -0.67 -0.28 0.00 -1.95 0.00 0.00 55.36 52.53 1f4h s GLN 956 Cb -0.01 -2.90 0.10 0.00 -0.22 0.00 0.00 33.01 29.97 1f4h s GLN 956 CO -0.05 0.45 0.90 -0.59 -0.25 0.00 0.00 175.29 175.75 1f4h s PHE 957 N -1.91 -0.31 -0.08 0.91 -0.12 -1.18 0.68 117.98 115.98 1f4h s PHE 957 Ca 0.35 0.15 -0.07 0.00 -0.05 0.00 0.00 56.93 57.30 1f4h s PHE 957 Cb -0.10 0.56 0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1f4h s PHE 957 CO 0.29 -0.60 0.21 0.54 -0.05 0.00 0.00 175.22 175.61 1f4h s ASN 958 N -2.57 -0.21 -0.06 1.98 4.22 0.24 -1.94 114.94 116.60 1f4h s ASN 958 Ca 0.06 0.42 -0.01 0.00 -2.14 0.00 0.00 52.86 51.19 1f4h s ASN 958 Cb -0.01 0.41 0.03 0.00 1.28 0.00 0.00 41.25 42.95 1f4h s ASN 958 CO -0.07 -0.08 -0.01 -0.51 -2.04 0.00 0.00 177.10 174.39 1f4h s ILE 959 N 0.23 0.36 0.00 0.54 2.07 -1.26 0.26 121.20 123.41 1f4h s ILE 959 Ca -0.01 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 1f4h s ILE 959 Cb -0.02 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 42.08 1f4h s ILE 959 CO -0.01 0.23 0.00 -1.54 -1.91 0.00 0.00 174.94 171.72 1f4h n SER 960 N 4.76 0.00 -1.14 4.50 3.41 0.02 -4.65 113.62 120.52 1f4h n SER 960 Ca -0.14 -0.99 0.08 0.00 -0.26 0.00 0.00 58.87 57.57 1f4h n SER 960 Cb 0.50 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.73 1f4h n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1f4h n ARG 961 N 0.00 3.24 -4.89 4.33 5.12 -1.26 0.67 116.66 123.87 1f4h n ARG 961 Ca 0.00 -2.61 -0.27 0.00 -1.93 0.00 0.00 57.85 53.04 1f4h n ARG 961 Cb 0.00 -1.67 -0.16 0.00 -1.16 0.00 0.00 32.46 29.47 1f4h n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1f4h s TYR 962 N -1.73 1.88 0.80 -1.55 1.51 -1.26 -0.90 117.35 116.10 1f4h s TYR 962 Ca 0.41 -0.63 -0.11 0.00 -1.01 0.00 0.00 57.07 55.73 1f4h s TYR 962 Cb 0.26 -1.28 0.07 0.00 -0.11 0.00 0.00 41.96 40.90 1f4h s TYR 962 CO 0.19 -0.24 1.09 -1.54 -1.11 0.00 0.00 175.55 173.94 1f4h s SER 963 N 0.22 4.49 0.18 2.29 1.04 -1.26 -4.85 113.70 115.81 1f4h s SER 963 Ca -0.09 1.37 -0.09 0.00 0.48 0.00 0.00 55.95 57.62 1f4h s SER 963 Cb -0.14 -2.11 0.05 0.00 0.10 0.00 0.00 66.02 63.92 1f4h s SER 963 CO 0.04 -1.98 1.61 1.56 0.98 0.00 0.00 173.24 175.46 1f4h h GLN 964 N -1.09 1.05 -0.06 4.02 1.08 -2.00 0.91 115.11 119.03 1f4h h GLN 964 Ca -0.47 -0.37 -0.00 0.00 -1.45 0.00 0.00 58.65 56.36 1f4h h GLN 964 Cb 1.26 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1f4h h GLN 964 CO 0.58 1.07 0.02 0.37 -0.95 0.00 0.00 178.83 179.92 1f4h h GLN 965 N 0.95 0.08 -0.56 1.46 -0.00 -1.96 0.39 115.11 115.46 1f4h h GLN 965 Ca 0.15 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.87 1f4h h GLN 965 Cb 0.64 -0.01 -0.07 0.00 0.00 0.00 0.00 27.48 28.04 1f4h h GLN 965 CO 0.04 0.23 0.20 0.37 0.00 0.00 0.00 178.83 179.67 1f4h h GLN 966 N -0.08 0.37 -0.88 1.69 4.15 -1.83 -1.18 115.11 117.35 1f4h h GLN 966 Ca 0.02 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.44 1f4h h GLN 966 Cb 0.17 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.73 1f4h h GLN 966 CO -0.00 0.25 0.58 -0.07 -1.93 0.00 0.00 178.83 177.65 1f4h h LEU 967 N 0.38 0.97 -0.10 -2.39 3.38 -0.06 -0.67 115.31 116.83 1f4h h LEU 967 Ca 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1f4h h LEU 967 Cb 0.32 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1f4h h LEU 967 CO -0.28 0.68 0.00 0.80 0.09 0.00 0.00 178.44 179.73 1f4h n MET 968 N -4.51 0.07 0.00 1.13 1.56 0.13 -3.49 117.12 112.01 1f4h n MET 968 Ca 0.11 0.17 0.05 0.00 -0.27 0.00 0.00 57.70 57.76 1f4h n MET 968 Cb 0.06 -1.60 -0.02 0.00 2.15 0.00 0.00 33.22 33.81 1f4h n MET 968 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1f4h n GLU 969 N -1.74 2.37 -3.74 2.12 1.02 -0.29 -4.98 120.64 115.40 1f4h n GLU 969 Ca 0.05 -0.49 -0.36 0.00 -0.02 0.00 0.00 57.16 56.34 1f4h n GLU 969 Cb 0.29 -1.09 -0.11 0.00 -0.02 0.00 0.00 31.44 30.51 1f4h n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1f4h s THR 970 N -1.58 4.97 0.11 2.62 2.01 -1.00 -4.99 115.64 117.78 1f4h s THR 970 Ca 0.08 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.19 1f4h s THR 970 Cb 0.09 -3.31 -0.21 0.00 0.01 0.00 0.00 72.50 69.07 1f4h s THR 970 CO 0.32 0.35 1.26 0.77 -0.69 0.00 0.00 174.62 176.62 1f4h h SER 971 N 7.70 0.02 -4.34 3.53 4.64 -1.92 -3.36 113.55 119.83 1f4h h SER 971 Ca -0.37 -0.03 -0.48 0.00 -0.47 0.00 0.00 61.79 60.44 1f4h h SER 971 Cb 1.18 -0.01 -0.22 0.00 -0.31 0.00 0.00 62.40 63.04 1f4h h SER 971 CO 0.62 1.02 -0.80 -1.00 -0.87 0.00 0.00 176.83 175.80 1f4h s HIS 972 N -2.70 1.48 0.20 4.77 3.76 -1.26 -4.49 115.29 117.05 1f4h s HIS 972 Ca 0.01 -0.43 0.17 0.00 -0.15 0.00 0.00 55.06 54.65 1f4h s HIS 972 Cb 0.10 -0.83 0.62 0.00 1.11 0.00 0.00 32.58 33.58 1f4h s HIS 972 CO 0.82 0.12 1.72 0.07 -0.85 0.00 0.00 174.74 176.62 1f4h h ARG 973 N 4.25 0.00 0.00 1.40 0.11 -1.22 -2.93 114.38 115.99 1f4h h ARG 973 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1f4h h ARG 973 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1f4h h ARG 973 CO 0.40 0.42 0.00 -2.39 0.10 0.00 0.00 179.97 178.50 1f4h n HIS 974 N -3.61 0.57 0.98 4.08 1.44 -1.26 -2.63 115.22 114.80 1f4h n HIS 974 Ca -0.00 0.25 0.12 0.00 -2.01 0.00 0.00 57.72 56.08 1f4h n HIS 974 Cb 0.52 -0.90 0.15 0.00 0.12 0.00 0.00 29.99 29.88 1f4h n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1f4h n LEU 975 N -2.05 2.91 -4.79 2.39 4.77 -1.10 -4.93 117.00 114.20 1f4h n LEU 975 Ca 0.01 -1.00 -0.38 0.00 -0.03 0.00 0.00 56.01 54.61 1f4h n LEU 975 Cb 0.15 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1f4h n LEU 975 CO 0.14 0.50 0.53 -0.76 -1.33 0.00 0.00 177.39 176.47 1f4h s LEU 976 N -1.95 4.46 -0.07 2.23 1.43 -1.08 -5.05 118.68 118.65 1f4h s LEU 976 Ca 0.30 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 1f4h s LEU 976 Cb 0.20 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1f4h s LEU 976 CO 0.30 0.08 -0.21 -1.00 0.23 0.00 0.00 176.35 175.75 1f4h s HIS 977 N -1.39 2.56 0.33 0.29 3.76 -1.26 -5.08 115.29 114.49 1f4h s HIS 977 Ca 0.43 -0.58 -0.29 0.00 -0.15 0.00 0.00 55.06 54.47 1f4h s HIS 977 Cb -0.20 -1.65 -0.11 0.00 1.11 0.00 0.00 32.58 31.73 1f4h s HIS 977 CO 0.25 -0.12 1.50 0.00 -0.85 0.00 0.00 174.74 175.51 1f4h s ALA 978 N -0.21 3.63 0.79 -1.40 0.00 -1.26 -4.80 121.76 118.50 1f4h s ALA 978 Ca -0.01 1.51 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 1f4h s ALA 978 Cb -0.13 -3.60 0.16 0.00 0.00 0.00 0.00 23.12 19.54 1f4h s ALA 978 CO 0.03 -0.95 1.08 -1.21 0.00 0.00 0.00 175.76 174.71 1f4h s GLU 979 N -1.32 1.33 0.00 0.00 2.02 -0.08 -5.04 118.70 115.61 1f4h s GLU 979 Ca 0.57 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1f4h s GLU 979 Cb -0.46 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1f4h s GLU 979 CO 0.55 -1.74 0.85 0.39 0.02 0.00 0.00 175.26 175.32 1f4h n GLU 980 N -3.07 0.00 0.00 1.61 1.02 -1.26 -4.82 120.64 114.11 1f4h n GLU 980 Ca 0.16 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1f4h n GLU 980 Cb 0.60 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1f4h n GLU 980 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f4h n GLY 981 N -0.99 0.89 2.96 0.62 0.00 -1.24 -5.00 105.19 102.43 1f4h n GLY 981 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1f4h n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4h s THR 982 N 3.60 1.08 -0.14 2.61 2.01 0.61 -4.71 115.64 120.70 1f4h s THR 982 Ca 0.00 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.42 1f4h s THR 982 Cb 0.00 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1f4h s THR 982 CO 0.00 0.36 0.59 0.26 -0.69 0.00 0.00 174.62 175.14 1f4h s TRP 983 N 1.24 3.47 -0.09 4.92 0.52 0.21 0.90 118.94 130.12 1f4h s TRP 983 Ca -0.04 0.98 0.02 0.00 0.02 0.00 0.00 56.10 57.09 1f4h s TRP 983 Cb -0.14 -2.70 0.01 0.00 -1.15 0.00 0.00 33.47 29.49 1f4h s TRP 983 CO -0.03 0.02 -0.15 -1.17 0.02 0.00 0.00 176.95 175.64 1f4h s LEU 984 N 1.16 1.72 -0.17 2.99 2.96 -0.85 -0.80 118.68 125.69 1f4h s LEU 984 Ca 0.30 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1f4h s LEU 984 Cb -0.16 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 1f4h s LEU 984 CO 0.12 0.04 -0.11 0.20 -1.32 0.00 0.00 176.35 175.28 1f4h s ASN 985 N 0.79 3.95 -0.29 3.68 0.01 0.14 -1.63 114.94 121.59 1f4h s ASN 985 Ca -0.11 -0.40 0.02 0.00 -0.71 0.00 0.00 52.86 51.65 1f4h s ASN 985 Cb -0.16 -1.63 0.08 0.00 0.41 0.00 0.00 41.25 39.96 1f4h s ASN 985 CO 0.02 0.08 0.01 -0.63 -1.51 0.00 0.00 177.10 175.07 1f4h s ILE 986 N 0.87 1.66 -0.07 0.60 1.01 -0.37 0.82 121.20 125.71 1f4h s ILE 986 Ca -0.03 -1.65 -0.12 0.00 0.00 0.00 0.00 60.65 58.85 1f4h s ILE 986 Cb -0.15 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 1f4h s ILE 986 CO 0.00 -0.39 0.29 -1.81 0.00 0.00 0.00 174.94 173.03 1f4h s ASP 987 N 1.27 6.59 -0.06 3.58 1.01 0.21 -1.28 116.67 127.99 1f4h s ASP 987 Ca 0.03 0.70 -0.21 0.00 0.71 0.00 0.00 52.55 53.78 1f4h s ASP 987 Cb -0.19 -2.17 -0.31 0.00 1.01 0.00 0.00 42.92 41.27 1f4h s ASP 987 CO -0.11 0.32 0.83 1.23 0.21 0.00 0.00 175.17 177.65 1f4h h GLY 988 N 5.15 0.33 -4.85 0.21 0.00 -0.11 0.26 103.07 104.05 1f4h h GLY 988 Ca -0.51 -0.84 -0.32 0.00 0.00 0.00 0.00 47.33 45.66 1f4h h GLY 988 CO 0.63 0.74 -0.75 -1.36 0.00 0.00 0.00 176.54 175.79 1f4h s PHE 989 N -2.44 0.75 -0.14 5.60 0.40 -0.90 -4.43 117.98 116.82 1f4h s PHE 989 Ca -0.15 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.74 1f4h s PHE 989 Cb 0.01 -0.45 0.07 0.00 0.51 0.00 0.00 43.02 43.17 1f4h s PHE 989 CO 0.82 -0.04 0.25 -1.58 0.70 0.00 0.00 175.22 175.36 1f4h s HIS 990 N -1.06 -0.38 0.58 0.36 2.46 -1.26 -0.41 115.29 115.58 1f4h s HIS 990 Ca -0.06 0.78 -0.19 0.00 0.47 0.00 0.00 55.06 56.06 1f4h s HIS 990 Cb -0.08 -0.13 -0.06 0.00 -0.13 0.00 0.00 32.58 32.18 1f4h s HIS 990 CO 0.01 -0.40 0.91 0.00 -2.47 0.00 0.00 174.74 172.79 1f4h n MET 991 N 5.34 0.91 -0.74 2.88 0.00 0.18 -4.73 117.12 120.95 1f4h n MET 991 Ca -0.06 0.35 -0.29 0.00 0.00 0.00 0.00 57.70 57.70 1f4h n MET 991 Cb 0.50 -2.10 0.24 0.00 0.00 0.00 0.00 33.22 31.86 1f4h n MET 991 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1f4h s GLY 992 N -1.18 1.53 0.21 3.17 0.00 0.18 -4.80 107.32 106.44 1f4h s GLY 992 Ca 0.73 -0.40 0.22 0.00 0.00 0.00 0.00 44.72 45.27 1f4h s GLY 992 CO 0.49 0.36 1.06 0.16 0.00 0.00 0.00 173.10 175.17 1f4h h ILE 993 N -2.58 0.04 -0.01 0.90 3.07 -1.93 -3.49 117.51 113.51 1f4h h ILE 993 Ca -0.56 -1.07 0.00 0.00 1.55 0.00 0.00 64.86 64.78 1f4h h ILE 993 Cb 1.33 1.56 -0.00 0.00 -0.27 0.00 0.00 36.82 39.45 1f4h h ILE 993 CO 0.48 0.02 -0.00 0.61 -1.05 0.00 0.00 178.15 178.21 1f4h n GLY 994 N 1.19 -2.18 0.00 0.16 0.00 -1.26 -4.78 105.19 98.32 1f4h n GLY 994 Ca -0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1f4h n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4h n GLY 995 N -0.44 2.79 0.36 -0.02 0.00 -1.21 -1.20 105.19 105.46 1f4h n GLY 995 Ca 0.00 -0.35 0.30 0.00 0.00 0.00 0.00 46.02 45.97 1f4h n GLY 995 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f4h n ASP 996 N 0.00 0.12 -3.51 1.61 9.92 -1.26 -2.93 116.55 120.51 1f4h n ASP 996 Ca 0.00 0.90 -0.08 0.00 -0.53 0.00 0.00 54.79 55.08 1f4h n ASP 996 Cb 0.00 -0.44 -0.02 0.00 -0.64 0.00 0.00 41.12 40.02 1f4h n ASP 996 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1f4h s ASP 997 N -4.28 -0.37 -0.52 -2.24 -4.77 -1.26 -4.22 116.67 99.00 1f4h s ASP 997 Ca -0.05 -0.01 0.06 0.00 -3.30 0.00 0.00 52.55 49.25 1f4h s ASP 997 Cb 0.21 0.40 0.36 0.00 -1.09 0.00 0.00 42.92 42.80 1f4h s ASP 997 CO 0.57 -0.65 0.97 -1.20 0.70 0.00 0.00 175.17 175.57 1f4h n SER 998 N -0.26 4.18 -0.35 2.11 7.64 -1.26 -4.52 113.62 121.16 1f4h n SER 998 Ca -0.09 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.17 1f4h n SER 998 Cb 0.62 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1f4h n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1f4h n TRP 999 N -0.26 0.00 -3.63 1.43 2.14 -1.26 -4.26 117.44 111.60 1f4h n TRP 999 Ca 0.32 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.88 1f4h n TRP 999 Cb 0.49 0.22 -0.01 0.00 -0.81 0.00 0.00 31.31 31.20 1f4h n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1f4h s SER 1000N 0.00 -0.11 0.12 -0.67 1.04 -1.26 -4.58 113.70 108.24 1f4h s SER 1000Ca 0.00 -0.14 -0.31 0.00 0.48 0.00 0.00 55.95 55.98 1f4h s SER 1000Cb 0.00 0.22 -0.10 0.00 0.10 0.00 0.00 66.02 66.24 1f4h s SER 1000CO 0.00 -0.40 1.74 -2.84 0.98 0.00 0.00 173.24 172.72 1f4h s PRO 1001N -2.60 4.16 -0.15 4.02 0.02 -1.26 -4.80 135.00 134.39 1f4h s PRO 1001Ca 0.12 2.50 0.19 0.00 0.02 0.00 0.00 61.00 63.82 1f4h s PRO 1001Cb 0.02 -3.51 0.45 0.00 0.02 0.00 0.00 34.50 31.48 1f4h s PRO 1001CO -0.03 -0.78 1.18 -1.13 -0.33 0.00 0.00 177.00 175.90 1f4h n SER 1002N 5.34 1.82 -4.34 2.53 3.41 -1.26 -4.95 113.62 116.16 1f4h n SER 1002Ca 0.17 -2.79 -0.41 0.00 -0.26 0.00 0.00 58.87 55.58 1f4h n SER 1002Cb 0.39 -0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 1f4h n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1f4h s VAL 1003N -2.22 4.50 0.64 -3.33 1.01 -1.26 -3.36 120.40 116.38 1f4h s VAL 1003Ca 0.36 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 1f4h s VAL 1003Cb 0.37 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1f4h s VAL 1003CO -0.09 -0.34 1.20 -0.44 0.00 0.00 0.00 175.10 175.42 1f4h s SER 1004N 1.80 4.85 0.41 3.32 0.01 -1.26 -4.84 113.70 117.98 1f4h s SER 1004Ca 0.02 2.34 0.17 0.00 1.31 0.00 0.00 55.95 59.79 1f4h s SER 1004Cb -0.21 -2.59 1.06 0.00 0.21 0.00 0.00 66.02 64.50 1f4h s SER 1004CO 0.05 -1.82 1.84 0.00 0.41 0.00 0.00 173.24 173.73 1f4h h ALA 1005N 0.41 2.18 0.00 1.44 0.00 -1.97 -0.27 119.26 121.04 1f4h h ALA 1005Ca -0.49 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1f4h h ALA 1005Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1f4h h ALA 1005CO 0.53 -0.48 -0.09 0.93 0.00 0.00 0.00 179.25 180.15 1f4h h GLU 1006N 0.43 0.00 -0.73 0.00 3.07 -2.05 -2.86 114.58 112.45 1f4h h GLU 1006Ca 0.49 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.09 1f4h h GLU 1006Cb 1.18 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.94 1f4h h GLU 1006CO -0.20 0.09 0.30 1.19 -1.40 0.00 0.00 179.01 178.99 1f4h n PHE 1007N -4.00 2.37 -4.88 4.33 3.01 -0.12 -4.97 117.46 113.19 1f4h n PHE 1007Ca -0.02 -1.35 -0.32 0.00 1.01 0.00 0.00 57.45 56.76 1f4h n PHE 1007Cb 0.18 -0.70 -0.13 0.00 -0.01 0.00 0.00 39.48 38.81 1f4h n PHE 1007CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1f4h s GLN 1008N -3.07 2.44 -0.92 -1.08 -0.21 -1.08 -0.65 119.66 115.10 1f4h s GLN 1008Ca 0.54 -0.73 -0.17 0.00 0.02 0.00 0.00 55.36 55.01 1f4h s GLN 1008Cb 0.44 -2.35 -0.11 0.00 1.00 0.00 0.00 33.01 32.00 1f4h s GLN 1008CO 0.12 0.61 2.03 1.28 -2.12 0.00 0.00 175.29 177.21 1f4h n LEU 1009N 2.23 4.77 -0.69 2.90 4.77 -1.26 -4.60 117.00 125.12 1f4h n LEU 1009Ca -0.17 -3.11 0.13 0.00 -0.03 0.00 0.00 56.01 52.83 1f4h n LEU 1009Cb 0.52 -1.20 0.28 0.00 -2.33 0.00 0.00 43.42 40.69 1f4h n LEU 1009CO 0.25 0.10 0.71 -1.54 -1.33 0.00 0.00 177.39 175.58 1f4h n SER 1010N 6.55 2.21 -0.11 -1.43 3.41 -1.26 -4.39 113.62 118.61 1f4h n SER 1010Ca 0.50 -1.70 -0.10 0.00 -0.26 0.00 0.00 58.87 57.31 1f4h n SER 1010Cb 0.34 0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.38 1f4h n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h h ALA 1011N 4.45 0.77 0.00 7.33 0.00 -2.00 -3.47 119.26 126.35 1f4h h ALA 1011Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1f4h h ALA 1011Cb 0.75 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1f4h h ALA 1011CO 0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1f4h n GLY 1012N -0.12 2.89 2.96 0.00 0.00 -1.26 -4.89 105.19 104.77 1f4h n GLY 1012Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1f4h n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f4h s ARG 1013N -0.11 1.66 -0.12 1.61 3.00 -1.26 0.72 118.95 124.45 1f4h s ARG 1013Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 55.73 54.60 1f4h s ARG 1013Cb 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 34.95 32.28 1f4h s ARG 1013CO 0.00 -0.66 -0.21 0.71 0.00 0.00 0.00 175.30 175.14 1f4h s TYR 1014N 1.30 2.50 -0.05 -0.53 1.51 -0.35 -4.98 117.35 116.75 1f4h s TYR 1014Ca -0.04 -1.19 0.05 0.00 -1.01 0.00 0.00 57.07 54.89 1f4h s TYR 1014Cb -0.19 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 1f4h s TYR 1014CO -0.07 -0.54 -0.20 -1.58 -1.11 0.00 0.00 175.55 172.05 1f4h s HIS 1015N 0.72 2.55 0.06 2.71 2.46 -1.26 0.73 115.29 123.25 1f4h s HIS 1015Ca -0.10 -0.40 -0.19 0.00 0.47 0.00 0.00 55.06 54.83 1f4h s HIS 1015Cb -0.16 -1.61 0.04 0.00 -0.13 0.00 0.00 32.58 30.72 1f4h s HIS 1015CO 0.01 -0.00 0.44 1.52 -2.47 0.00 0.00 174.74 174.24 1f4h s TYR 1016N -0.47 -0.30 -0.12 3.88 -0.85 0.17 -5.01 117.35 114.64 1f4h s TYR 1016Ca 0.06 0.24 -0.09 0.00 -0.52 0.00 0.00 57.07 56.75 1f4h s TYR 1016Cb -0.12 0.26 0.04 0.00 0.38 0.00 0.00 41.96 42.52 1f4h s TYR 1016CO 0.01 -0.61 0.32 -0.65 -1.52 0.00 0.00 175.55 173.10 1f4h s GLN 1017N -2.68 0.33 0.03 -3.49 -0.21 -1.26 0.96 119.66 113.35 1f4h s GLN 1017Ca -0.04 0.52 -0.01 0.00 0.02 0.00 0.00 55.36 55.86 1f4h s GLN 1017Cb -0.00 0.07 -0.02 0.00 1.00 0.00 0.00 33.01 34.05 1f4h s GLN 1017CO -0.04 -0.09 -0.02 -0.48 -2.12 0.00 0.00 175.29 172.54 1f4h s LEU 1018N 0.66 2.24 -0.19 2.90 2.34 0.84 -4.37 118.68 123.09 1f4h s LEU 1018Ca -0.04 -0.58 -0.01 0.00 0.06 0.00 0.00 54.13 53.56 1f4h s LEU 1018Cb -0.05 0.16 0.00 0.00 -0.56 0.00 0.00 46.19 45.74 1f4h s LEU 1018CO -0.04 -0.37 -0.12 -0.69 -1.06 0.00 0.00 176.35 174.07 1f4h s VAL 1019N -1.94 2.79 -0.12 1.48 1.01 -0.62 -0.59 120.40 122.40 1f4h s VAL 1019Ca -0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1f4h s VAL 1019Cb -0.06 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1f4h s VAL 1019CO -0.03 0.49 0.07 0.86 0.00 0.00 0.00 175.10 176.49 1f4h s TRP 1020N 1.22 3.35 0.13 5.22 -0.11 0.35 -1.70 118.94 127.40 1f4h s TRP 1020Ca 0.02 0.29 -0.24 0.00 1.22 0.00 0.00 56.10 57.39 1f4h s TRP 1020Cb -0.14 -1.91 0.08 0.00 -1.50 0.00 0.00 33.47 29.99 1f4h s TRP 1020CO -0.05 0.49 1.08 0.00 -4.62 0.00 0.00 176.95 173.85 1f4h s GLN 1022N -2.42 1.57 0.00 0.00 1.11 -1.25 -0.52 119.66 118.15 1f4h s GLN 1022Ca 0.20 -1.10 0.30 0.00 0.01 0.00 0.00 55.36 54.77 1f4h s GLN 1022Cb -0.01 -1.78 1.41 0.00 -1.01 0.00 0.00 33.01 31.62 1f4h s GLN 1022CO 0.03 0.45 1.95 1.63 0.01 0.00 0.00 175.29 179.36