#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 0.00 0.65 9.51 -2.24 -1.26 -1.19 114.28 119.75 1f4h n THR 4 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1f4h n THR 4 Cb 0.00 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.44 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 -0.96 1.66 -4.60 3.42 8.00 -1.26 -4.59 116.55 118.23 1f4h n ASP 5 Ca 0.07 -1.33 -0.38 0.00 0.71 0.00 0.00 54.79 53.86 1f4h n ASP 5 Cb 0.03 0.38 0.05 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.03 0.60 0.13 -2.24 3.41 -0.33 -4.78 113.62 110.44 1f4h n SER 6 Ca 0.07 0.82 -0.17 0.00 -0.26 0.00 0.00 58.87 59.33 1f4h n SER 6 Cb 0.32 -1.36 -0.10 0.00 -0.26 0.00 0.00 64.21 62.81 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 0.56 -1.58 -1.40 1.04 3.38 -1.92 -1.69 115.31 113.69 1f4h h LEU 7 Ca -0.48 0.16 0.48 0.00 0.09 0.00 0.00 57.88 58.13 1f4h h LEU 7 Cb 1.37 0.58 -0.13 0.00 0.09 0.00 0.00 40.66 42.56 1f4h h LEU 7 CO 0.51 -0.57 0.91 0.00 0.09 0.00 0.00 178.44 179.38 1f4h n ALA 8 N -2.92 1.38 -0.07 1.53 0.00 -1.26 0.34 120.51 119.51 1f4h n ALA 8 Ca -0.09 0.84 -0.09 0.00 0.00 0.00 0.00 53.44 54.09 1f4h n ALA 8 Cb 0.42 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 1f4h n ALA 8 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1f4h h VAL 9 N 0.00 0.91 -0.20 0.00 3.04 -1.70 -3.30 116.25 115.00 1f4h h VAL 9 Ca 0.87 -1.75 0.05 0.00 -1.01 0.00 0.00 66.70 64.86 1f4h h VAL 9 Cb 2.86 1.79 -0.06 0.00 -2.01 0.00 0.00 31.29 33.87 1f4h h VAL 9 CO -0.42 0.31 -0.16 0.58 -1.01 0.00 0.00 177.57 176.87 1f4h h VAL 10 N -1.00 0.56 0.00 1.51 2.07 -0.38 -1.37 116.25 117.64 1f4h h VAL 10 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1f4h h VAL 10 Cb 0.66 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1f4h h VAL 10 CO -0.03 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.74 1f4h n LEU 11 N -5.31 0.50 -0.10 2.57 4.77 0.15 -3.45 117.00 116.13 1f4h n LEU 11 Ca -0.02 0.65 -0.12 0.00 -0.03 0.00 0.00 56.01 56.49 1f4h n LEU 11 Cb 0.23 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1f4h n LEU 11 CO 0.19 -0.57 0.70 -0.61 -1.33 0.00 0.00 177.39 175.77 1f4h h GLN 12 N 0.00 0.59 -0.71 3.23 5.75 -1.32 -3.23 115.11 119.43 1f4h h GLN 12 Ca 0.00 -0.23 0.16 0.00 -0.15 0.00 0.00 58.65 58.43 1f4h h GLN 12 Cb 0.26 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 1f4h h GLN 12 CO 0.00 0.79 0.48 0.00 -2.65 0.00 0.00 178.83 177.45 1f4h h ARG 13 N 0.35 0.25 -5.74 1.69 2.47 -1.69 -3.46 114.38 108.24 1f4h h ARG 13 Ca 0.07 -0.02 -0.34 0.00 -1.26 0.00 0.00 59.98 58.43 1f4h h ARG 13 Cb 0.59 -0.06 0.15 0.00 -1.65 0.00 0.00 29.97 28.99 1f4h h ARG 13 CO 0.03 0.17 -0.80 0.54 0.56 0.00 0.00 179.97 180.47 1f4h n ARG 14 N -4.43 -5.70 0.29 0.04 1.74 -1.22 -4.88 116.66 102.49 1f4h n ARG 14 Ca 0.14 0.79 0.17 0.00 -0.77 0.00 0.00 57.85 58.18 1f4h n ARG 14 Cb 0.60 -5.68 0.95 0.00 -1.02 0.00 0.00 32.46 27.31 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 -1.81 0.00 0.00 0.55 3.32 -1.89 -0.50 116.42 116.10 1f4h h ASP 15 Ca -0.60 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.45 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 0.51 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.36 1f4h n TRP 16 N -3.66 0.00 -0.51 4.55 2.14 -1.26 -2.30 117.44 116.40 1f4h n TRP 16 Ca -0.02 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.59 1f4h n TRP 16 Cb 0.15 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.70 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 -0.89 2.12 -3.71 -2.67 1.02 -0.20 -0.46 120.64 115.84 1f4h n GLU 17 Ca 0.14 -1.84 -0.29 0.00 -0.02 0.00 0.00 57.16 55.16 1f4h n GLU 17 Cb 0.07 -1.15 -0.16 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.65 3.59 0.00 1.62 2.47 -0.97 -4.64 114.94 115.36 1f4h s ASN 18 Ca 0.12 -1.31 0.13 0.00 0.42 0.00 0.00 52.86 52.22 1f4h s ASN 18 Cb 0.10 -0.72 0.76 0.00 -1.45 0.00 0.00 41.25 39.95 1f4h s ASN 18 CO 0.01 -0.38 1.19 -0.81 -3.72 0.00 0.00 177.10 173.40 1f4h n PRO 19 N 4.96 0.40 -0.25 0.43 -0.04 -1.26 -1.39 135.00 137.86 1f4h n PRO 19 Ca -0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1f4h n PRO 19 Cb 0.44 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.19 1.78 2.60 0.55 0.00 -1.26 -4.34 105.19 104.33 1f4h n GLY 20 Ca 0.10 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1f4h n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f4h s VAL 21 N -1.35 0.06 -0.39 1.61 1.01 -0.48 -4.98 120.40 115.87 1f4h s VAL 21 Ca 0.41 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.93 1f4h s VAL 21 Cb 0.23 -0.88 -0.11 0.00 0.00 0.00 0.00 36.38 35.61 1f4h s VAL 21 CO 0.31 -0.50 0.38 0.35 0.00 0.00 0.00 175.10 175.64 1f4h n THR 22 N 5.21 0.00 -3.57 3.92 -2.24 -1.26 -4.78 114.28 111.56 1f4h n THR 22 Ca -0.06 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.37 1f4h n THR 22 Cb 0.45 0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 1f4h n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f4h s GLN 23 N -2.02 0.54 -0.14 -0.78 1.03 -1.26 -0.57 119.66 116.46 1f4h s GLN 23 Ca 0.03 -0.02 -0.03 0.00 0.04 0.00 0.00 55.36 55.37 1f4h s GLN 23 Cb 0.07 0.25 0.05 0.00 0.03 0.00 0.00 33.01 33.41 1f4h s GLN 23 CO 0.40 -0.20 0.04 -0.51 -2.54 0.00 0.00 175.29 172.48 1f4h s LEU 24 N -1.63 0.73 -1.47 2.60 1.02 -0.86 -4.91 118.68 114.17 1f4h s LEU 24 Ca 0.03 -0.51 -0.07 0.00 0.02 0.00 0.00 54.13 53.60 1f4h s LEU 24 Cb -0.01 -0.43 0.03 0.00 0.02 0.00 0.00 46.19 45.80 1f4h s LEU 24 CO -0.03 -0.28 0.68 -0.46 0.02 0.00 0.00 176.35 176.27 1f4h n ASN 25 N 5.15 -5.44 -4.84 2.29 6.94 -1.26 -2.36 115.26 115.74 1f4h n ASN 25 Ca -0.07 -0.38 -0.35 0.00 -0.02 0.00 0.00 54.58 53.75 1f4h n ASN 25 Cb 0.49 -4.39 -0.06 0.00 -2.36 0.00 0.00 39.78 33.45 1f4h n ASN 25 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1f4h s ARG 26 N -5.93 4.02 0.72 -3.83 3.52 -1.26 -4.67 118.95 111.51 1f4h s ARG 26 Ca 0.39 0.55 -0.11 0.00 -0.13 0.00 0.00 55.73 56.44 1f4h s ARG 26 Cb -0.19 -2.92 0.03 0.00 -1.56 0.00 0.00 34.95 30.32 1f4h s ARG 26 CO 0.48 0.46 1.09 -0.51 -0.81 0.00 0.00 175.30 176.01 1f4h s LEU 27 N -1.96 2.85 0.40 -0.88 1.43 0.24 -4.97 118.68 115.79 1f4h s LEU 27 Ca 0.39 0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 54.19 1f4h s LEU 27 Cb -0.15 -3.68 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 1f4h s LEU 27 CO 0.19 -1.45 1.27 0.00 0.23 0.00 0.00 176.35 176.59 1f4h s ALA 28 N -3.36 3.24 0.57 4.21 0.00 -1.26 -4.65 121.76 120.52 1f4h s ALA 28 Ca 0.59 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 53.55 1f4h s ALA 28 Cb -0.11 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1f4h s ALA 28 CO 0.50 -0.74 1.06 0.00 0.00 0.00 0.00 175.76 176.58 1f4h s ALA 29 N -1.29 2.74 0.13 0.00 0.00 -1.26 -5.02 121.76 117.07 1f4h s ALA 29 Ca 0.56 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 1f4h s ALA 29 Cb -0.36 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.58 1f4h s ALA 29 CO 0.47 -0.75 1.02 -3.38 0.00 0.00 0.00 175.76 173.12 1f4h s HIS 30 N -2.31 -0.09 0.96 0.00 -3.43 -1.26 -4.86 115.29 104.31 1f4h s HIS 30 Ca 0.65 -0.20 -0.12 0.00 -0.80 0.00 0.00 55.06 54.59 1f4h s HIS 30 Cb -0.17 0.63 0.17 0.00 -1.43 0.00 0.00 32.58 31.78 1f4h s HIS 30 CO 0.33 -0.75 1.09 -1.25 -2.00 0.00 0.00 174.74 172.16 1f4h s PRO 31 N -3.00 0.70 -0.03 -0.38 0.04 -1.01 -4.33 135.00 126.99 1f4h s PRO 31 Ca 0.14 0.96 -0.32 0.00 0.04 0.00 0.00 61.00 61.81 1f4h s PRO 31 Cb -0.01 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.70 1f4h s PRO 31 CO 0.02 -2.66 1.93 -2.30 0.04 0.00 0.00 177.00 174.03 1f4h n PRO 32 N -4.19 2.51 -4.13 0.56 -0.02 -1.26 -4.99 135.00 123.47 1f4h n PRO 32 Ca 0.07 0.92 -0.23 0.00 -2.02 0.00 0.00 63.50 62.23 1f4h n PRO 32 Cb 0.54 -2.82 -0.05 0.00 -0.02 0.00 0.00 33.50 31.15 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 4.32 3.06 0.00 6.00 2.99 -1.26 -4.85 117.98 128.24 1f4h s PHE 33 Ca 0.91 -0.10 0.00 0.00 0.00 0.00 0.00 56.93 57.74 1f4h s PHE 33 Cb -0.57 -1.41 0.00 0.00 0.00 0.00 0.00 43.02 41.04 1f4h s PHE 33 CO 0.47 0.53 0.00 0.00 -0.00 0.00 0.00 175.22 176.22 1f4h n ALA 34 N -0.85 0.38 -3.39 5.36 0.00 -1.26 -5.08 120.51 115.66 1f4h n ALA 34 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1f4h n ALA 34 Cb 0.57 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.28 -3.51 -4.44 0.00 2.88 -1.26 -4.27 113.62 102.74 1f4h n SER 35 Ca 0.00 -0.55 -0.32 0.00 -1.33 0.00 0.00 58.87 56.67 1f4h n SER 35 Cb 0.00 -4.75 0.15 0.00 -0.75 0.00 0.00 64.21 58.86 1f4h n SER 35 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1f4h n TRP 36 N -4.23 -0.98 -0.39 0.66 8.01 -0.65 -4.71 117.44 115.15 1f4h n TRP 36 Ca -0.17 0.21 0.04 0.00 -1.31 0.00 0.00 57.50 56.27 1f4h n TRP 36 Cb 0.62 -1.78 0.06 0.00 -2.01 0.00 0.00 31.31 28.21 1f4h n TRP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1f4h n ARG 37 N -2.57 2.43 -3.66 -0.99 5.12 -1.26 -2.48 116.66 113.26 1f4h n ARG 37 Ca 0.06 -1.93 -0.05 0.00 -1.93 0.00 0.00 57.85 54.00 1f4h n ARG 37 Cb 0.55 -1.21 -0.07 0.00 -1.16 0.00 0.00 32.46 30.57 1f4h n ARG 37 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1f4h s ASN 38 N -1.64 -0.70 0.43 0.55 6.03 -1.26 -4.94 114.94 113.40 1f4h s ASN 38 Ca 0.13 1.27 0.30 0.00 -1.03 0.00 0.00 52.86 53.53 1f4h s ASN 38 Cb 0.11 1.70 1.47 0.00 -3.03 0.00 0.00 41.25 41.49 1f4h s ASN 38 CO 0.02 -0.22 1.57 -0.24 -2.03 0.00 0.00 177.10 176.19 1f4h n SER 39 N 5.23 0.24 0.06 3.54 2.88 -1.26 -1.98 113.62 122.32 1f4h n SER 39 Ca -0.12 1.44 -0.17 0.00 -1.33 0.00 0.00 58.87 58.68 1f4h n SER 39 Cb 0.51 -0.71 -0.08 0.00 -0.75 0.00 0.00 64.21 63.18 1f4h n SER 39 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1f4h h GLU 40 N 0.00 0.57 -0.87 -1.46 4.39 -1.97 0.11 114.58 115.35 1f4h h GLU 40 Ca 0.88 -0.63 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1f4h h GLU 40 Cb 2.74 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 31.53 1f4h h GLU 40 CO -0.52 1.24 0.50 0.93 -1.16 0.00 0.00 179.01 179.99 1f4h h GLU 41 N 0.32 1.20 -0.66 2.33 5.08 -1.75 0.49 114.58 121.58 1f4h h GLU 41 Ca -0.11 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1f4h h GLU 41 Cb 1.67 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 1f4h h GLU 41 CO 0.19 0.86 0.23 0.00 -1.00 0.00 0.00 179.01 179.29 1f4h h ALA 42 N 1.33 1.16 -0.06 3.43 0.00 -1.36 1.80 119.26 125.55 1f4h h ALA 42 Ca 0.31 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1f4h h ALA 42 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1f4h h ALA 42 CO -0.05 0.59 -0.67 -0.09 0.00 0.00 0.00 179.25 179.03 1f4h h ARG 43 N 0.96 0.28 -0.01 0.00 2.43 0.90 -2.64 114.38 116.30 1f4h h ARG 43 Ca 0.22 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f4h h ARG 43 Cb 0.24 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1f4h h ARG 43 CO -0.01 0.85 -0.29 0.25 -1.51 0.00 0.00 179.97 179.26 1f4h n THR 44 N -3.83 0.00 -3.16 0.20 -2.24 0.15 -4.92 114.28 100.48 1f4h n THR 44 Ca -0.03 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1f4h n THR 44 Cb 0.67 0.57 0.07 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.48 -2.92 -4.91 3.42 2.03 0.24 -4.99 116.55 108.94 1f4h n ASP 45 Ca 0.12 -0.46 -0.30 0.00 0.52 0.00 0.00 54.79 54.67 1f4h n ASP 45 Cb 0.37 -4.02 -0.04 0.00 -0.72 0.00 0.00 41.12 36.72 1f4h n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1f4h s ARG 46 N -5.30 3.60 0.41 -0.67 0.52 0.55 -5.00 118.95 113.07 1f4h s ARG 46 Ca 0.12 -0.13 -0.26 0.00 -0.52 0.00 0.00 55.73 54.94 1f4h s ARG 46 Cb -0.05 -2.80 -0.10 0.00 0.52 0.00 0.00 34.95 32.52 1f4h s ARG 46 CO 0.56 0.39 1.32 -2.30 0.02 0.00 0.00 175.30 175.29 1f4h n PRO 47 N -0.34 2.08 -3.61 3.54 -0.02 -1.26 -4.62 135.00 130.78 1f4h n PRO 47 Ca -0.03 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 1f4h n PRO 47 Cb 0.53 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 1f4h n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1f4h s SER 48 N -0.46 5.76 0.56 2.55 0.15 -1.26 -4.93 113.70 116.06 1f4h s SER 48 Ca 0.60 -0.49 0.34 0.00 0.70 0.00 0.00 55.95 57.10 1f4h s SER 48 Cb -0.50 -2.06 1.86 0.00 -1.71 0.00 0.00 66.02 63.62 1f4h s SER 48 CO 0.59 -0.21 2.04 1.56 1.20 0.00 0.00 173.24 178.42 1f4h h GLN 49 N 8.41 0.00 0.00 5.44 1.08 -1.92 0.53 115.11 128.65 1f4h h GLN 49 Ca -0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1f4h h GLN 49 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1f4h h GLN 49 CO 0.62 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 179.54 1f4h n GLN 50 N -2.77 0.97 -3.87 1.46 3.00 -1.26 -4.52 117.38 110.39 1f4h n GLN 50 Ca -0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.68 1f4h n GLN 50 Cb 0.13 -1.30 -0.16 0.00 0.00 0.00 0.00 30.24 28.91 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 -1.60 1.69 -0.05 1.08 2.96 0.19 0.02 118.68 122.96 1f4h s LEU 51 Ca 0.28 -0.78 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1f4h s LEU 51 Cb 0.13 -0.89 -0.00 0.00 0.50 0.00 0.00 46.19 45.92 1f4h s LEU 51 CO 0.22 -0.22 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.70 1f4h s ARG 52 N 1.64 2.15 0.21 1.98 0.52 0.15 -4.74 118.95 120.87 1f4h s ARG 52 Ca -0.01 -0.73 -0.20 0.00 -0.52 0.00 0.00 55.73 54.28 1f4h s ARG 52 Cb -0.16 -1.82 -0.08 0.00 0.52 0.00 0.00 34.95 33.41 1f4h s ARG 52 CO -0.07 0.28 0.72 0.45 0.02 0.00 0.00 175.30 176.69 1f4h s SER 53 N 0.03 7.06 -0.28 0.23 0.15 -1.26 -0.82 113.70 118.80 1f4h s SER 53 Ca -0.06 1.41 0.11 0.00 0.70 0.00 0.00 55.95 58.12 1f4h s SER 53 Cb -0.13 -2.42 0.66 0.00 -1.71 0.00 0.00 66.02 62.42 1f4h s SER 53 CO 0.03 0.05 1.66 0.18 1.20 0.00 0.00 173.24 176.36 1f4h n LEU 54 N 0.77 5.23 -4.83 3.45 4.77 -0.46 -4.94 117.00 120.99 1f4h n LEU 54 Ca -0.03 -3.27 -0.33 0.00 -0.03 0.00 0.00 56.01 52.36 1f4h n LEU 54 Cb 0.51 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1f4h n LEU 54 CO 0.43 0.85 0.56 0.20 -1.33 0.00 0.00 177.39 178.11 1f4h s ASN 55 N -1.52 6.92 0.00 -1.43 0.01 -1.26 -4.87 114.94 112.80 1f4h s ASN 55 Ca 0.50 1.55 0.00 0.00 -0.71 0.00 0.00 52.86 54.21 1f4h s ASN 55 Cb 0.41 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.59 1f4h s ASN 55 CO 0.10 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.03 1f4h n GLY 56 N -0.40 0.37 3.65 0.66 0.00 -0.78 -5.05 105.19 103.64 1f4h n GLY 56 Ca 0.05 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.00 4.10 0.43 1.61 2.02 -1.26 -1.42 118.70 122.18 1f4h s GLU 57 Ca 0.00 1.63 0.06 0.00 0.02 0.00 0.00 54.97 56.68 1f4h s GLU 57 Cb 0.00 -3.85 -0.05 0.00 0.10 0.00 0.00 34.13 30.33 1f4h s GLU 57 CO 0.00 -0.89 0.10 -1.58 0.02 0.00 0.00 175.26 172.91 1f4h s TRP 58 N 3.97 2.43 -0.14 1.61 0.52 0.30 -4.95 118.94 122.68 1f4h s TRP 58 Ca 0.59 -0.68 -0.02 0.00 0.02 0.00 0.00 56.10 56.01 1f4h s TRP 58 Cb -0.22 -1.84 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1f4h s TRP 58 CO 0.20 0.26 -0.08 1.03 0.02 0.00 0.00 176.95 178.39 1f4h s ARG 59 N -3.84 3.49 0.16 4.98 0.52 0.28 -0.87 118.95 123.67 1f4h s ARG 59 Ca 0.34 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 55.02 1f4h s ARG 59 Cb 0.06 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 1f4h s ARG 59 CO 0.18 0.27 -0.14 0.12 0.02 0.00 0.00 175.30 175.75 1f4h s PHE 60 N 0.26 1.51 -0.28 -0.53 5.36 -0.87 0.30 117.98 123.73 1f4h s PHE 60 Ca -0.06 -0.60 -0.24 0.00 -0.96 0.00 0.00 56.93 55.07 1f4h s PHE 60 Cb -0.15 -0.75 0.10 0.00 -0.34 0.00 0.00 43.02 41.89 1f4h s PHE 60 CO 0.04 0.22 0.89 0.00 -1.46 0.00 0.00 175.22 174.91 1f4h s ALA 61 N -2.71 -1.91 -0.11 11.12 0.00 -1.05 0.83 121.76 127.93 1f4h s ALA 61 Ca 0.16 1.98 0.01 0.00 0.00 0.00 0.00 51.96 54.11 1f4h s ALA 61 Cb -0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 1f4h s ALA 61 CO 0.04 -0.29 -0.13 -0.46 0.00 0.00 0.00 175.76 174.92 1f4h s TRP 62 N 0.40 2.79 0.04 0.00 -0.00 -1.26 -0.65 118.94 120.27 1f4h s TRP 62 Ca 0.01 -0.47 0.05 0.00 -0.00 0.00 0.00 56.10 55.69 1f4h s TRP 62 Cb -0.05 -1.78 -0.02 0.00 -0.00 0.00 0.00 33.47 31.62 1f4h s TRP 62 CO -0.04 -0.07 -0.15 -0.06 -0.00 0.00 0.00 176.95 176.63 1f4h s PHE 63 N -0.00 1.31 0.39 5.86 0.40 -0.31 -5.00 117.98 120.63 1f4h s PHE 63 Ca -0.03 -0.36 0.20 0.00 -0.60 0.00 0.00 56.93 56.14 1f4h s PHE 63 Cb -0.14 -0.78 1.09 0.00 0.51 0.00 0.00 43.02 43.70 1f4h s PHE 63 CO 0.04 0.04 1.96 -1.35 0.70 0.00 0.00 175.22 176.62 1f4h h PRO 64 N 4.91 0.00 -3.45 0.24 0.11 -1.88 0.58 132.00 132.52 1f4h h PRO 64 Ca -0.39 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.57 1f4h h PRO 64 Cb 1.18 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.07 1f4h h PRO 64 CO 0.44 0.22 -0.48 0.00 -0.21 0.00 0.00 178.00 177.97 1f4h s ALA 65 N -4.26 -0.38 0.60 -0.75 0.00 -1.26 -1.10 121.76 114.61 1f4h s ALA 65 Ca -0.03 -0.01 0.30 0.00 0.00 0.00 0.00 51.96 52.23 1f4h s ALA 65 Cb 0.14 0.05 1.79 0.00 0.00 0.00 0.00 23.12 25.09 1f4h s ALA 65 CO 0.66 -0.19 2.19 -1.00 0.00 0.00 0.00 175.76 177.41 1f4h h PRO 66 N 4.49 0.00 0.00 0.00 0.13 -1.83 -2.61 132.00 132.18 1f4h h PRO 66 Ca -0.30 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 1f4h h PRO 66 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1f4h h PRO 66 CO 0.40 0.00 -0.47 1.05 -0.23 0.00 0.00 178.00 178.75 1f4h h GLU 67 N 0.00 0.00 -0.08 0.86 9.09 -1.93 -3.19 114.58 119.33 1f4h h GLU 67 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 1f4h h GLU 67 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1f4h h GLU 67 CO -0.00 0.47 0.00 0.00 0.05 0.00 0.00 179.01 179.53 1f4h n ALA 68 N -2.33 2.51 -2.02 1.06 0.00 -0.98 -4.81 120.51 113.93 1f4h n ALA 68 Ca -0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 1f4h n ALA 68 Cb 0.56 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.90 4.41 0.03 0.00 1.01 -1.21 -5.02 120.40 117.71 1f4h s VAL 69 Ca 0.12 1.68 -0.20 0.00 0.00 0.00 0.00 61.98 63.58 1f4h s VAL 69 Cb 0.06 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1f4h s VAL 69 CO 0.09 0.52 0.58 -2.84 0.00 0.00 0.00 175.10 173.45 1f4h s PRO 70 N -1.07 4.27 0.59 2.72 0.02 -1.26 -4.97 135.00 135.29 1f4h s PRO 70 Ca 0.36 0.73 0.29 0.00 0.02 0.00 0.00 61.00 62.40 1f4h s PRO 70 Cb -0.23 -3.30 1.42 0.00 0.02 0.00 0.00 34.50 32.41 1f4h s PRO 70 CO 0.26 0.48 1.82 1.49 -0.33 0.00 0.00 177.00 180.72 1f4h h GLU 71 N 5.18 0.00 -0.43 5.54 4.57 -1.97 0.86 114.58 128.32 1f4h h GLU 71 Ca -0.47 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.73 1f4h h GLU 71 Cb 1.21 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 1f4h h GLU 71 CO 0.67 0.00 0.25 0.66 -1.18 0.00 0.00 179.01 179.41 1f4h h SER 72 N 0.00 0.39 -0.81 1.04 4.64 -1.93 -1.88 113.55 115.00 1f4h h SER 72 Ca 0.28 0.01 0.34 0.00 -0.47 0.00 0.00 61.79 61.94 1f4h h SER 72 Cb 1.48 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 63.35 1f4h h SER 72 CO -0.00 0.28 0.42 1.87 -0.87 0.00 0.00 176.83 178.53 1f4h n TRP 73 N -4.86 0.94 0.27 4.77 -0.00 0.30 0.19 117.44 119.04 1f4h n TRP 73 Ca 0.02 0.96 0.12 0.00 -0.00 0.00 0.00 57.50 58.60 1f4h n TRP 73 Cb 0.08 -1.37 0.75 0.00 -0.00 0.00 0.00 31.31 30.76 1f4h n TRP 73 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1f4h h LEU 74 N 0.00 0.00 0.00 5.87 3.38 -1.48 -3.16 115.31 119.92 1f4h h LEU 74 Ca 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.65 1f4h h LEU 74 Cb 1.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 1f4h h LEU 74 CO -0.63 0.07 -1.26 -0.62 0.09 0.00 0.00 178.44 176.09 1f4h n GLU 75 N -3.94 0.29 -3.69 1.13 4.71 0.51 -3.84 120.64 115.80 1f4h n GLU 75 Ca -0.02 -0.05 -0.12 0.00 -0.01 0.00 0.00 57.16 56.96 1f4h n GLU 75 Cb 0.17 -1.13 -0.09 0.00 -1.01 0.00 0.00 31.44 29.37 1f4h n GLU 75 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1f4h n ASP 77 N 3.45 -5.59 -4.26 0.00 9.92 -1.26 -4.11 116.55 114.70 1f4h n ASP 77 Ca -0.17 0.27 -0.37 0.00 -0.53 0.00 0.00 54.79 53.98 1f4h n ASP 77 Cb 0.56 -0.78 -0.12 0.00 -0.64 0.00 0.00 41.12 40.14 1f4h n ASP 77 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1f4h s LEU 78 N 7.41 4.32 0.08 0.64 1.43 -1.26 -4.92 118.68 126.38 1f4h s LEU 78 Ca 0.43 -1.20 0.06 0.00 -1.03 0.00 0.00 54.13 52.40 1f4h s LEU 78 Cb -0.24 -1.85 0.22 0.00 0.03 0.00 0.00 46.19 44.34 1f4h s LEU 78 CO 0.80 -0.33 0.21 -2.65 0.23 0.00 0.00 176.35 174.61 1f4h n PRO 79 N 4.78 0.00 -0.16 1.29 -0.02 -1.26 0.40 135.00 140.04 1f4h n PRO 79 Ca -0.12 0.15 0.05 0.00 -2.02 0.00 0.00 63.50 61.56 1f4h n PRO 79 Cb 0.44 -0.36 0.13 0.00 -0.02 0.00 0.00 33.50 33.69 1f4h n PRO 79 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1f4h n GLU 80 N -2.08 2.65 -2.54 -0.52 4.71 -1.26 -4.98 120.64 116.62 1f4h n GLU 80 Ca 0.06 -2.13 -0.42 0.00 -0.01 0.00 0.00 57.16 54.65 1f4h n GLU 80 Cb 0.27 -1.34 -0.03 0.00 -1.01 0.00 0.00 31.44 29.33 1f4h n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1f4h s ALA 81 N -1.69 3.30 0.33 0.62 0.00 1.32 -4.92 121.76 120.72 1f4h s ALA 81 Ca 0.21 0.73 -0.09 0.00 0.00 0.00 0.00 51.96 52.81 1f4h s ALA 81 Cb 0.16 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1f4h s ALA 81 CO 0.07 -0.34 0.67 -0.51 0.00 0.00 0.00 175.76 175.65 1f4h s ASP 82 N 0.95 6.54 -0.10 0.00 -0.00 0.24 -4.81 116.67 119.50 1f4h s ASP 82 Ca 0.55 0.99 -0.28 0.00 -0.00 0.00 0.00 52.55 53.82 1f4h s ASP 82 Cb -0.26 -2.26 -0.02 0.00 -0.00 0.00 0.00 42.92 40.38 1f4h s ASP 82 CO 0.29 -0.26 0.92 -0.89 -0.00 0.00 0.00 175.17 175.23 1f4h s THR 83 N -2.15 4.86 0.10 -1.27 2.01 -1.26 -2.05 115.64 115.88 1f4h s THR 83 Ca 0.49 1.87 0.05 0.00 0.31 0.00 0.00 61.69 64.40 1f4h s THR 83 Cb -0.11 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1f4h s THR 83 CO 0.28 0.07 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.46 1f4h s VAL 84 N 1.71 1.14 -0.12 3.82 1.01 -0.05 -4.95 120.40 122.96 1f4h s VAL 84 Ca 0.45 -1.62 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 1f4h s VAL 84 Cb -0.18 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1f4h s VAL 84 CO 0.18 -0.44 0.21 0.54 0.00 0.00 0.00 175.10 175.59 1f4h s VAL 85 N -2.12 5.38 -0.08 2.92 0.11 -1.26 0.11 120.40 125.46 1f4h s VAL 85 Ca 0.06 0.36 0.03 0.00 -2.93 0.00 0.00 61.98 59.50 1f4h s VAL 85 Cb -0.05 -3.50 0.01 0.00 -1.53 0.00 0.00 36.38 31.31 1f4h s VAL 85 CO 0.02 0.55 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.49 1f4h s VAL 86 N -0.58 1.39 0.44 2.04 1.01 -0.51 -3.81 120.40 120.38 1f4h s VAL 86 Ca 0.15 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1f4h s VAL 86 Cb -0.13 -1.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 1f4h s VAL 86 CO 0.05 0.41 1.00 -2.16 0.00 0.00 0.00 175.10 174.40 1f4h s PRO 87 N 0.63 4.07 0.02 2.72 0.04 -1.26 -1.87 135.00 139.35 1f4h s PRO 87 Ca -0.15 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 61.91 1f4h s PRO 87 Cb -0.16 -2.25 0.10 0.00 0.04 0.00 0.00 34.50 32.22 1f4h s PRO 87 CO 0.04 -0.19 0.99 -1.54 0.04 0.00 0.00 177.00 176.35 1f4h s SER 88 N -1.96 -0.24 -0.39 6.66 1.04 -1.07 -4.95 113.70 112.80 1f4h s SER 88 Ca 0.63 -0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.80 1f4h s SER 88 Cb -0.15 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.38 1f4h s SER 88 CO 0.19 -0.63 0.22 0.20 0.98 0.00 0.00 173.24 174.20 1f4h s ASN 89 N -2.65 5.71 0.59 7.02 -0.87 -1.26 -3.41 114.94 120.08 1f4h s ASN 89 Ca 0.09 -1.12 0.30 0.00 -1.57 0.00 0.00 52.86 50.57 1f4h s ASN 89 Cb -0.00 -2.02 1.32 0.00 -0.02 0.00 0.00 41.25 40.53 1f4h s ASN 89 CO -0.04 -0.42 1.67 4.11 -2.57 0.00 0.00 177.10 179.85 1f4h h TRP 90 N 8.43 0.00 -0.42 2.20 0.09 -1.83 1.90 115.95 126.32 1f4h h TRP 90 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.71 1f4h h TRP 90 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 30.32 1f4h h TRP 90 CO 0.58 0.00 0.18 1.96 0.09 0.00 0.00 178.44 181.26 1f4h h GLN 91 N 0.00 0.59 -0.27 0.12 7.50 -1.80 -2.38 115.11 118.87 1f4h h GLN 91 Ca 0.39 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.47 1f4h h GLN 91 Cb 2.03 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 29.44 1f4h h GLN 91 CO -0.00 0.48 0.00 -1.33 -1.50 0.00 0.00 178.83 176.47 1f4h n MET 92 N -4.39 1.11 0.00 1.46 2.81 0.64 -2.91 117.12 115.85 1f4h n MET 92 Ca 0.03 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1f4h n MET 92 Cb 0.13 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1f4h n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1f4h n HIS 93 N -0.29 0.00 0.00 2.03 8.25 -0.91 -4.97 115.22 119.33 1f4h n HIS 93 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1f4h n HIS 93 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 1.52 3.77 0.01 -1.41 0.00 -1.13 -5.05 105.19 102.91 1f4h n GLY 94 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 1f4h n GLY 94 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1f4h n TYR 95 N 0.00 -0.01 -4.06 1.61 4.02 -1.24 -4.65 117.16 112.84 1f4h n TYR 95 Ca 0.00 0.04 -0.10 0.00 -0.01 0.00 0.00 57.90 57.83 1f4h n TYR 95 Cb 0.00 -0.51 -0.07 0.00 -0.02 0.00 0.00 39.34 38.75 1f4h n TYR 95 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1f4h s ASP 96 N -5.02 0.03 0.19 7.72 1.47 -1.26 -5.10 116.67 114.70 1f4h s ASP 96 Ca -0.00 -1.09 -0.04 0.00 1.18 0.00 0.00 52.55 52.59 1f4h s ASP 96 Cb 0.01 0.53 -0.05 0.00 -0.34 0.00 0.00 42.92 43.06 1f4h s ASP 96 CO 0.02 -1.06 0.43 0.00 0.68 0.00 0.00 175.17 175.24 1f4h s ALA 97 N -4.01 3.74 0.36 2.11 0.00 -1.26 -4.54 121.76 118.16 1f4h s ALA 97 Ca 0.28 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1f4h s ALA 97 Cb 0.02 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.91 1f4h s ALA 97 CO 0.10 0.52 0.70 -2.14 0.00 0.00 0.00 175.76 174.94 1f4h s PRO 98 N -3.00 3.74 -0.06 0.00 0.01 -1.26 -4.99 135.00 129.43 1f4h s PRO 98 Ca 0.42 0.33 0.06 0.00 0.01 0.00 0.00 61.00 61.81 1f4h s PRO 98 Cb -0.11 -2.48 -0.01 0.00 0.01 0.00 0.00 34.50 31.91 1f4h s PRO 98 CO 0.26 0.05 -0.24 0.42 0.01 0.00 0.00 177.00 177.50 1f4h s ILE 99 N -2.26 2.02 -0.52 2.83 1.09 -0.93 -4.64 121.20 118.78 1f4h s ILE 99 Ca 0.49 -1.04 -0.02 0.00 -1.10 0.00 0.00 60.65 58.98 1f4h s ILE 99 Cb -0.10 -1.71 0.14 0.00 -1.06 0.00 0.00 42.46 39.72 1f4h s ILE 99 CO 0.30 0.56 0.32 -0.47 -0.10 0.00 0.00 174.94 175.55 1f4h s TYR 100 N -0.09 3.47 0.09 3.97 5.04 -1.26 0.17 117.35 128.75 1f4h s TYR 100 Ca -0.06 -2.67 0.08 0.00 -2.44 0.00 0.00 57.07 51.99 1f4h s TYR 100 Cb -0.14 -3.16 -0.04 0.00 0.35 0.00 0.00 41.96 38.97 1f4h s TYR 100 CO 0.04 -0.88 -0.14 -0.08 -1.34 0.00 0.00 175.55 173.15 1f4h s THR 101 N 0.40 3.09 0.00 4.34 -1.32 -1.26 -1.59 115.64 119.30 1f4h s THR 101 Ca 0.13 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1f4h s THR 101 Cb -0.22 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1f4h s THR 101 CO -0.04 0.16 0.00 -3.20 -2.21 0.00 0.00 174.62 169.33 1f4h n ASN 102 N 0.91 0.00 -0.06 8.08 4.05 -1.26 -3.56 115.26 123.42 1f4h n ASN 102 Ca -0.15 0.09 -0.04 0.00 0.45 0.00 0.00 54.58 54.93 1f4h n ASN 102 Cb 0.52 -0.31 -0.01 0.00 1.23 0.00 0.00 39.78 41.21 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 -1.92 1.19 -1.71 3.44 0.31 -1.26 -3.38 118.33 115.00 1f4h n VAL 103 Ca 0.00 0.26 -0.61 0.00 -0.01 0.00 0.00 64.34 63.98 1f4h n VAL 103 Cb 0.00 -2.25 -0.08 0.00 -0.91 0.00 0.00 33.84 30.60 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 -4.24 0.17 -2.00 2.52 -1.04 -1.26 -3.65 114.28 104.79 1f4h n THR 104 Ca -0.06 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 1f4h n THR 104 Cb 0.23 -0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 67.82 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 3.04 2.96 0.30 -1.42 1.51 -1.26 -4.87 117.35 117.60 1f4h s TYR 105 Ca 1.00 1.13 0.05 0.00 -1.01 0.00 0.00 57.07 58.23 1f4h s TYR 105 Cb -1.22 -3.83 0.69 0.00 -0.11 0.00 0.00 41.96 37.50 1f4h s TYR 105 CO 0.70 -2.56 1.79 -1.00 -1.11 0.00 0.00 175.55 173.36 1f4h h PRO 106 N 4.36 0.78 -6.21 -1.71 0.13 -1.95 -3.43 132.00 123.97 1f4h h PRO 106 Ca -0.47 -0.05 -0.49 0.00 -0.87 0.00 0.00 66.00 64.12 1f4h h PRO 106 Cb 1.22 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1f4h h PRO 106 CO 0.73 0.51 -0.48 0.96 -0.23 0.00 0.00 178.00 179.50 1f4h s ILE 107 N -5.88 4.22 0.36 -3.56 -4.36 -1.26 -4.70 121.20 106.02 1f4h s ILE 107 Ca -0.11 -1.32 -0.28 0.00 -0.26 0.00 0.00 60.65 58.68 1f4h s ILE 107 Cb 0.24 -3.38 -0.11 0.00 1.25 0.00 0.00 42.46 40.46 1f4h s ILE 107 CO 0.80 -0.28 1.49 0.41 0.24 0.00 0.00 174.94 177.60 1f4h n THR 108 N -1.30 1.87 -2.87 8.37 -1.04 -1.26 -4.91 114.28 113.14 1f4h n THR 108 Ca -0.05 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.05 61.06 1f4h n THR 108 Cb 0.58 -1.94 -0.04 0.00 -1.82 0.00 0.00 70.33 67.11 1f4h n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1f4h s VAL 109 N -0.97 4.40 -0.49 12.58 1.01 -1.26 -4.85 120.40 130.82 1f4h s VAL 109 Ca 0.55 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1f4h s VAL 109 Cb -0.49 -4.57 0.22 0.00 0.00 0.00 0.00 36.38 31.55 1f4h s VAL 109 CO 0.62 -1.21 0.85 -3.20 0.00 0.00 0.00 175.10 172.15 1f4h n ASN 110 N 7.45 -3.04 -4.76 3.32 5.15 -1.26 -5.11 115.26 117.01 1f4h n ASN 110 Ca -0.01 -3.08 -0.39 0.00 -0.60 0.00 0.00 54.58 50.51 1f4h n ASN 110 Cb 0.47 1.76 0.00 0.00 -0.53 0.00 0.00 39.78 41.48 1f4h n ASN 110 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1f4h s PRO 111 N 0.75 3.76 -0.50 1.20 0.04 -1.26 0.59 135.00 139.58 1f4h s PRO 111 Ca 0.31 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1f4h s PRO 111 Cb 0.14 -2.61 0.44 0.00 0.04 0.00 0.00 34.50 32.52 1f4h s PRO 111 CO -0.17 -0.66 1.95 -0.35 0.04 0.00 0.00 177.00 177.81 1f4h n PRO 112 N -0.20 2.30 -3.28 0.56 -0.04 -1.26 -5.10 135.00 127.98 1f4h n PRO 112 Ca 0.05 -2.69 -0.36 0.00 -0.04 0.00 0.00 63.50 60.46 1f4h n PRO 112 Cb 0.44 -2.06 -0.06 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 -3.08 3.66 0.44 0.54 0.40 0.20 -4.53 117.98 115.60 1f4h s PHE 113 Ca 0.53 1.18 0.04 0.00 -0.60 0.00 0.00 56.93 58.08 1f4h s PHE 113 Cb 0.42 -2.46 0.01 0.00 0.51 0.00 0.00 43.02 41.51 1f4h s PHE 113 CO 0.03 0.44 0.62 0.08 0.70 0.00 0.00 175.22 177.09 1f4h s VAL 114 N -1.41 3.30 0.88 -0.44 1.01 -1.26 -4.51 120.40 117.98 1f4h s VAL 114 Ca 0.37 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1f4h s VAL 114 Cb -0.16 -3.17 0.12 0.00 0.00 0.00 0.00 36.38 33.17 1f4h s VAL 114 CO 0.20 -0.09 1.09 -2.84 0.00 0.00 0.00 175.10 173.46 1f4h s PRO 115 N -4.47 1.35 0.07 2.72 0.02 -1.26 -4.98 135.00 128.46 1f4h s PRO 115 Ca 0.52 0.82 -0.04 0.00 0.02 0.00 0.00 61.00 62.33 1f4h s PRO 115 Cb -0.10 -1.82 -0.28 0.00 0.02 0.00 0.00 34.50 32.32 1f4h s PRO 115 CO 0.35 -2.18 1.13 1.15 -0.33 0.00 0.00 177.00 177.12 1f4h h THR 116 N -1.50 1.49 -2.70 0.99 2.02 -1.99 -3.37 112.91 107.84 1f4h h THR 116 Ca -0.49 -3.07 -0.70 0.00 0.77 0.00 0.00 66.41 62.93 1f4h h THR 116 Cb 1.28 2.93 -0.19 0.00 -1.74 0.00 0.00 68.15 70.44 1f4h h THR 116 CO 0.55 0.89 0.59 -1.61 0.37 0.00 0.00 175.52 176.31 1f4h s GLU 117 N -2.66 3.45 -0.69 6.66 8.01 -1.26 -4.70 118.70 127.51 1f4h s GLU 117 Ca -0.04 -1.66 0.03 0.00 0.01 0.00 0.00 54.97 53.31 1f4h s GLU 117 Cb 0.07 -4.66 0.17 0.00 -4.31 0.00 0.00 34.13 25.40 1f4h s GLU 117 CO 0.88 -1.68 0.49 1.21 0.01 0.00 0.00 175.26 176.17 1f4h s ASN 118 N 3.44 4.99 -0.31 -0.19 2.47 -0.25 -4.90 114.94 120.18 1f4h s ASN 118 Ca 0.26 -3.56 -0.29 0.00 0.42 0.00 0.00 52.86 49.69 1f4h s ASN 118 Cb -0.10 -1.71 -0.12 0.00 -1.45 0.00 0.00 41.25 37.86 1f4h s ASN 118 CO -0.04 -0.16 1.04 -0.81 -3.72 0.00 0.00 177.10 173.40 1f4h n PRO 119 N 2.42 0.00 -5.23 0.43 -0.05 -1.04 -3.61 135.00 127.92 1f4h n PRO 119 Ca 0.16 0.00 -0.32 0.00 -0.05 0.00 0.00 63.50 63.29 1f4h n PRO 119 Cb 0.35 -0.93 -0.17 0.00 -0.05 0.00 0.00 33.50 32.70 1f4h n PRO 119 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 1f4h s THR 120 N 2.10 2.08 -0.16 0.52 2.01 0.20 -1.96 115.64 120.43 1f4h s THR 120 Ca 0.66 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 1f4h s THR 120 Cb -0.93 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 1f4h s THR 120 CO 0.50 0.56 -0.07 -0.83 -0.69 0.00 0.00 174.62 174.09 1f4h s GLY 121 N 0.10 1.63 -0.33 4.40 0.00 -0.95 -1.16 107.32 111.01 1f4h s GLY 121 Ca -0.12 -0.92 -0.08 0.00 0.00 0.00 0.00 44.72 43.61 1f4h s GLY 121 CO 0.06 -0.02 0.13 0.00 0.00 0.00 0.00 173.10 173.28 1f4h s TYR 123 N 1.50 3.61 0.04 0.00 1.51 -0.08 -2.54 117.35 121.39 1f4h s TYR 123 Ca 0.02 0.62 0.02 0.00 -1.01 0.00 0.00 57.07 56.71 1f4h s TYR 123 Cb -0.18 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 1f4h s TYR 123 CO 0.04 0.67 -0.07 -1.54 -1.11 0.00 0.00 175.55 173.53 1f4h s SER 124 N -1.37 0.82 -0.29 2.29 1.04 0.87 -1.02 113.70 116.05 1f4h s SER 124 Ca 0.22 -0.50 -0.14 0.00 0.48 0.00 0.00 55.95 56.02 1f4h s SER 124 Cb -0.13 0.03 0.11 0.00 0.10 0.00 0.00 66.02 66.13 1f4h s SER 124 CO 0.11 -0.18 0.73 -0.22 0.98 0.00 0.00 173.24 174.67 1f4h s LEU 125 N -1.42 -0.95 -0.20 2.42 2.96 -1.03 0.10 118.68 120.56 1f4h s LEU 125 Ca -0.09 1.40 -0.07 0.00 -0.22 0.00 0.00 54.13 55.16 1f4h s LEU 125 Cb -0.09 2.22 -0.04 0.00 0.50 0.00 0.00 46.19 48.79 1f4h s LEU 125 CO 0.00 -0.21 0.06 -0.89 -1.32 0.00 0.00 176.35 173.99 1f4h s THR 126 N 2.17 4.56 0.20 3.68 2.01 -1.25 0.28 115.64 127.30 1f4h s THR 126 Ca -0.08 -0.11 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 1f4h s THR 126 Cb -0.08 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.39 1f4h s THR 126 CO -0.19 0.42 0.55 0.72 -0.69 0.00 0.00 174.62 175.43 1f4h s PHE 127 N 0.78 -0.16 0.26 4.92 -0.12 0.77 -4.91 117.98 119.51 1f4h s PHE 127 Ca 0.03 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 56.78 1f4h s PHE 127 Cb -0.14 0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 1f4h s PHE 127 CO 0.02 -0.94 0.39 -0.80 -0.05 0.00 0.00 175.22 173.84 1f4h s ASN 128 N -2.87 6.31 -0.10 1.98 -0.87 -1.24 0.35 114.94 118.51 1f4h s ASN 128 Ca 0.09 0.12 -0.03 0.00 -1.57 0.00 0.00 52.86 51.47 1f4h s ASN 128 Cb -0.01 -1.88 0.04 0.00 -0.02 0.00 0.00 41.25 39.38 1f4h s ASN 128 CO -0.03 -0.11 0.06 -0.69 -2.57 0.00 0.00 177.10 173.77 1f4h s VAL 129 N -2.03 0.00 0.26 1.60 1.01 0.20 -4.91 120.40 116.53 1f4h s VAL 129 Ca 0.35 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1f4h s VAL 129 Cb -0.09 -0.41 -0.13 0.00 0.00 0.00 0.00 36.38 35.74 1f4h s VAL 129 CO 0.30 -0.00 1.33 -0.67 0.00 0.00 0.00 175.10 176.06 1f4h n ASP 130 N 5.26 2.51 0.02 3.32 2.03 -1.26 -0.80 116.55 127.63 1f4h n ASP 130 Ca -0.05 1.16 0.05 0.00 0.52 0.00 0.00 54.79 56.46 1f4h n ASP 130 Cb 0.49 -1.41 0.22 0.00 -0.72 0.00 0.00 41.12 39.71 1f4h n ASP 130 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1f4h n GLU 131 N 1.60 0.03 0.14 -0.67 0.28 -1.26 -3.24 120.64 117.51 1f4h n GLU 131 Ca 0.10 0.40 -0.13 0.00 -0.16 0.00 0.00 57.16 57.37 1f4h n GLU 131 Cb 0.32 -1.57 -0.08 0.00 1.43 0.00 0.00 31.44 31.54 1f4h n GLU 131 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1f4h h SER 132 N 0.00 -0.32 0.00 -1.84 0.87 -1.97 -3.07 113.55 107.22 1f4h h SER 132 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1f4h h SER 132 Cb 0.14 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1f4h h SER 132 CO 0.00 0.08 0.42 -0.50 -0.53 0.00 0.00 176.83 176.30 1f4h h TRP 133 N -0.77 0.00 0.02 2.24 4.06 -1.80 -2.85 115.95 116.85 1f4h h TRP 133 Ca -0.04 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 60.52 1f4h h TRP 133 Cb 0.50 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.60 1f4h h TRP 133 CO 0.03 0.00 -2.39 1.28 -3.56 0.00 0.00 178.44 173.80 1f4h n LEU 134 N -2.80 2.83 -0.31 -4.49 4.32 -1.16 -4.33 117.00 111.06 1f4h n LEU 134 Ca -0.02 -0.04 0.02 0.00 -0.02 0.00 0.00 56.01 55.95 1f4h n LEU 134 Cb 0.46 -0.94 0.07 0.00 -1.62 0.00 0.00 43.42 41.39 1f4h n LEU 134 CO 0.11 0.89 0.51 0.00 -1.22 0.00 0.00 177.39 177.68 1f4h n GLN 135 N -3.39 -0.14 -4.07 3.23 3.00 -1.08 -4.75 117.38 110.18 1f4h n GLN 135 Ca -0.44 1.27 -0.18 0.00 -0.01 0.00 0.00 57.00 57.63 1f4h n GLN 135 Cb 0.99 -1.88 -0.07 0.00 0.00 0.00 0.00 30.24 29.27 1f4h n GLN 135 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1f4h n GLU 136 N -5.26 0.40 0.00 -1.09 0.28 -1.25 -5.14 120.64 108.57 1f4h n GLU 136 Ca 0.10 -3.08 0.00 0.00 -0.16 0.00 0.00 57.16 54.02 1f4h n GLU 136 Cb 0.36 2.45 0.00 0.00 1.43 0.00 0.00 31.44 35.69 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 -0.59 -0.35 3.08 -1.84 0.00 -1.26 -4.60 105.19 99.64 1f4h n GLY 137 Ca 0.06 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 1f4h n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f4h s GLN 138 N 0.00 0.24 -0.22 1.61 0.74 0.92 -4.63 119.66 118.32 1f4h s GLN 138 Ca 0.00 0.39 -0.03 0.00 0.05 0.00 0.00 55.36 55.77 1f4h s GLN 138 Cb 0.00 0.04 0.01 0.00 1.10 0.00 0.00 33.01 34.15 1f4h s GLN 138 CO 0.00 -0.08 -0.07 0.99 -0.55 0.00 0.00 175.29 175.58 1f4h s THR 139 N 0.52 3.05 0.16 -0.34 2.01 -1.26 0.26 115.64 120.04 1f4h s THR 139 Ca -0.03 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.33 1f4h s THR 139 Cb -0.05 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1f4h s THR 139 CO -0.03 0.38 -0.13 0.00 -0.69 0.00 0.00 174.62 174.16 1f4h s ARG 140 N 1.41 1.15 0.25 4.92 1.70 -0.45 -1.69 118.95 126.23 1f4h s ARG 140 Ca 0.04 -1.45 0.07 0.00 -0.47 0.00 0.00 55.73 53.92 1f4h s ARG 140 Cb -0.15 -0.87 -0.04 0.00 -0.57 0.00 0.00 34.95 33.32 1f4h s ARG 140 CO -0.05 0.14 0.21 -1.50 -1.08 0.00 0.00 175.30 173.01 1f4h s ILE 141 N -2.90 4.51 -0.16 4.99 2.07 0.37 -2.44 121.20 127.65 1f4h s ILE 141 Ca 0.17 -1.35 -0.08 0.00 -1.41 0.00 0.00 60.65 57.97 1f4h s ILE 141 Cb -0.00 -3.43 0.06 0.00 0.13 0.00 0.00 42.46 39.21 1f4h s ILE 141 CO 0.03 -0.34 0.38 -0.63 -1.91 0.00 0.00 174.94 172.48 1f4h s ILE 142 N -2.10 -0.06 -0.19 2.00 1.01 -0.46 -1.31 121.20 120.08 1f4h s ILE 142 Ca 0.33 0.11 0.01 0.00 0.00 0.00 0.00 60.65 61.10 1f4h s ILE 142 Cb -0.08 -0.57 0.04 0.00 0.01 0.00 0.00 42.46 41.86 1f4h s ILE 142 CO 0.25 0.04 -0.12 -0.36 0.00 0.00 0.00 174.94 174.76 1f4h s PHE 143 N 1.45 2.45 -1.44 3.97 0.40 -0.79 0.10 117.98 124.13 1f4h s PHE 143 Ca -0.09 -1.57 0.17 0.00 -0.60 0.00 0.00 56.93 54.84 1f4h s PHE 143 Cb -0.09 -1.67 0.86 0.00 0.51 0.00 0.00 43.02 42.63 1f4h s PHE 143 CO -0.12 -0.74 1.50 -0.25 0.70 0.00 0.00 175.22 176.31 1f4h n ASP 144 N 4.68 0.00 0.00 1.36 8.00 -0.72 -1.66 116.55 128.21 1f4h n ASP 144 Ca -0.16 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1f4h n ASP 144 Cb 0.47 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1f4h n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f4h n GLY 145 N 0.16 1.29 3.14 0.44 0.00 -1.26 -4.08 105.19 104.87 1f4h n GLY 145 Ca 0.08 0.50 -0.31 0.00 0.00 0.00 0.00 46.02 46.30 1f4h n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f4h s VAL 146 N 0.00 1.82 -0.11 1.61 1.01 -1.23 -2.38 120.40 121.12 1f4h s VAL 146 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1f4h s VAL 146 Cb 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1f4h s VAL 146 CO 0.00 0.50 -0.12 0.21 0.00 0.00 0.00 175.10 175.69 1f4h s ASN 147 N 0.76 2.27 0.00 3.32 3.84 -0.40 -3.80 114.94 120.92 1f4h s ASN 147 Ca -0.10 -0.38 0.17 0.00 0.21 0.00 0.00 52.86 52.76 1f4h s ASN 147 Cb -0.16 -0.98 0.04 0.00 -0.55 0.00 0.00 41.25 39.60 1f4h s ASN 147 CO 0.01 -0.03 0.92 -1.54 -2.79 0.00 0.00 177.10 173.67 1f4h n SER 148 N 4.40 1.89 -3.59 -4.21 3.41 -0.06 -1.01 113.62 114.45 1f4h n SER 148 Ca -0.18 -1.44 -0.07 0.00 -0.26 0.00 0.00 58.87 56.91 1f4h n SER 148 Cb 0.51 0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 1f4h n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h s ALA 149 N -1.78 -1.99 0.09 7.33 0.00 -1.06 -4.17 121.76 120.18 1f4h s ALA 149 Ca 0.16 1.65 -0.25 0.00 0.00 0.00 0.00 51.96 53.52 1f4h s ALA 149 Cb 0.14 -0.85 0.08 0.00 0.00 0.00 0.00 23.12 22.48 1f4h s ALA 149 CO 0.35 -0.33 0.68 -0.59 0.00 0.00 0.00 175.76 175.88 1f4h s PHE 150 N -1.28 -0.50 0.11 0.00 -0.12 -0.40 0.44 117.98 116.22 1f4h s PHE 150 Ca 0.03 0.39 0.05 0.00 -0.05 0.00 0.00 56.93 57.34 1f4h s PHE 150 Cb -0.01 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 1f4h s PHE 150 CO -0.02 -0.74 0.03 -1.01 -0.05 0.00 0.00 175.22 173.43 1f4h s HIS 151 N -3.29 3.03 -0.02 3.49 3.76 0.03 -1.24 115.29 121.05 1f4h s HIS 151 Ca 0.01 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 1f4h s HIS 151 Cb -0.01 -1.53 0.01 0.00 1.11 0.00 0.00 32.58 32.17 1f4h s HIS 151 CO -0.09 0.50 -0.01 -1.17 -0.85 0.00 0.00 174.74 173.11 1f4h s LEU 152 N -2.53 1.56 0.10 0.89 2.96 0.49 -0.45 118.68 121.70 1f4h s LEU 152 Ca 0.27 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.23 1f4h s LEU 152 Cb -0.11 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 1f4h s LEU 152 CO 0.20 -0.04 -0.20 0.26 -1.32 0.00 0.00 176.35 175.25 1f4h s TRP 153 N 0.51 1.74 -0.13 5.38 0.51 -0.58 0.36 118.94 126.74 1f4h s TRP 153 Ca -0.05 -0.42 -0.04 0.00 -2.12 0.00 0.00 56.10 53.47 1f4h s TRP 153 Cb -0.08 -0.95 0.06 0.00 -0.81 0.00 0.00 33.47 31.69 1f4h s TRP 153 CO -0.01 0.20 0.18 0.00 -0.51 0.00 0.00 176.95 176.80 1f4h n ASN 155 N 5.32 -2.65 0.00 0.00 3.02 -0.00 -1.30 115.26 119.64 1f4h n ASN 155 Ca -0.05 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1f4h n ASN 155 Cb 0.50 -4.90 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 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 -1.36 0.14 3.72 7.41 0.00 -1.25 -4.96 105.19 108.89 1f4h n GLY 156 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.38 3.58 -0.08 1.61 0.52 -0.42 -4.96 118.95 117.82 1f4h s ARG 157 Ca 0.00 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 1f4h s ARG 157 Cb 0.00 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 1f4h s ARG 157 CO 0.00 0.53 1.21 -0.46 0.02 0.00 0.00 175.30 176.60 1f4h s TRP 158 N -0.35 3.12 -0.10 -0.53 -0.00 -1.26 0.26 118.94 120.08 1f4h s TRP 158 Ca 0.09 1.18 -0.08 0.00 -0.00 0.00 0.00 56.10 57.29 1f4h s TRP 158 Cb -0.12 -3.43 -0.03 0.00 -0.00 0.00 0.00 33.47 29.89 1f4h s TRP 158 CO 0.02 -1.37 -0.16 0.28 -0.00 0.00 0.00 176.95 175.72 1f4h n VAL 159 N 4.80 0.87 -3.92 5.86 0.31 1.15 -4.90 118.33 122.50 1f4h n VAL 159 Ca 0.12 0.31 0.01 0.00 -0.01 0.00 0.00 64.34 64.76 1f4h n VAL 159 Cb 0.46 -2.02 0.01 0.00 -0.91 0.00 0.00 33.84 31.38 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 1.57 0.44 3.12 2.92 0.00 -1.09 -4.83 105.19 107.32 1f4h n GLY 160 Ca -0.06 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.46 1.08 -0.03 1.61 5.04 -1.00 -0.38 117.35 121.22 1f4h s TYR 161 Ca 0.22 -0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1f4h s TYR 161 Cb -0.01 -0.64 0.01 0.00 0.35 0.00 0.00 41.96 41.67 1f4h s TYR 161 CO 0.01 0.02 0.07 0.20 -1.34 0.00 0.00 175.55 174.51 1f4h s GLY 162 N -1.22 -0.03 0.15 8.97 0.00 -0.37 -2.02 107.32 112.80 1f4h s GLY 162 Ca -0.01 0.26 0.10 0.00 0.00 0.00 0.00 44.72 45.08 1f4h s GLY 162 CO 0.01 0.32 -0.23 1.20 0.00 0.00 0.00 173.10 174.40 1f4h s GLN 163 N 0.27 1.35 0.00 2.90 -0.21 0.27 -1.28 119.66 122.96 1f4h s GLN 163 Ca -0.02 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 53.99 1f4h s GLN 163 Cb -0.03 -1.66 0.00 0.00 1.00 0.00 0.00 33.01 32.32 1f4h s GLN 163 CO -0.01 0.37 0.00 -3.47 -2.12 0.00 0.00 175.29 170.06 1f4h n ASP 164 N 0.65 0.00 -0.33 5.90 -0.08 -1.26 -4.90 116.55 116.53 1f4h n ASP 164 Ca -0.16 0.00 0.20 0.00 -1.51 0.00 0.00 54.79 53.32 1f4h n ASP 164 Cb 0.55 0.00 0.41 0.00 2.34 0.00 0.00 41.12 44.42 1f4h n ASP 164 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1f4h h SER 165 N 0.00 0.42 -0.51 1.67 0.87 -1.77 -2.79 113.55 111.44 1f4h h SER 165 Ca 0.00 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1f4h h SER 165 Cb 0.00 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1f4h h SER 165 CO 0.00 -0.10 0.00 0.54 -0.53 0.00 0.00 176.83 176.74 1f4h n ARG 166 N -5.07 2.38 -4.04 2.24 5.12 -1.26 -3.54 116.66 112.49 1f4h n ARG 166 Ca 0.28 -1.92 -0.09 0.00 -1.93 0.00 0.00 57.85 54.19 1f4h n ARG 166 Cb 0.86 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.58 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 -1.10 2.33 0.19 0.55 1.43 -1.05 -4.58 118.68 116.45 1f4h s LEU 167 Ca 0.35 -0.69 -0.33 0.00 -1.03 0.00 0.00 54.13 52.44 1f4h s LEU 167 Cb 0.19 0.07 -0.13 0.00 0.03 0.00 0.00 46.19 46.35 1f4h s LEU 167 CO 0.22 -0.38 1.55 -2.65 0.23 0.00 0.00 176.35 175.32 1f4h n PRO 168 N 1.04 2.20 -4.39 1.29 -0.02 -1.25 -4.58 135.00 129.28 1f4h n PRO 168 Ca -0.20 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 1f4h n PRO 168 Cb 0.57 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 1f4h n PRO 168 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1f4h s SER 169 N 0.74 5.12 0.01 2.55 0.01 -0.66 -4.96 113.70 116.50 1f4h s SER 169 Ca 0.75 0.08 -0.01 0.00 1.31 0.00 0.00 55.95 58.07 1f4h s SER 169 Cb -0.65 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 1f4h s SER 169 CO 0.41 0.33 0.01 -1.61 0.41 0.00 0.00 173.24 172.80 1f4h s GLU 170 N -0.62 0.24 0.02 12.44 2.02 -1.26 -1.89 118.70 129.64 1f4h s GLU 170 Ca 0.10 -0.35 -0.10 0.00 0.02 0.00 0.00 54.97 54.63 1f4h s GLU 170 Cb -0.12 0.09 0.01 0.00 0.10 0.00 0.00 34.13 34.21 1f4h s GLU 170 CO 0.02 -0.04 0.21 -0.06 0.02 0.00 0.00 175.26 175.41 1f4h s PHE 171 N -0.93 -0.00 -0.60 1.61 0.40 -0.43 0.82 117.98 118.84 1f4h s PHE 171 Ca -0.10 -0.13 -0.20 0.00 -0.60 0.00 0.00 56.93 55.90 1f4h s PHE 171 Cb -0.06 -0.00 0.10 0.00 0.51 0.00 0.00 43.02 43.56 1f4h s PHE 171 CO -0.00 -0.40 0.75 0.34 0.70 0.00 0.00 175.22 176.61 1f4h s ASP 172 N -1.80 6.18 0.04 1.36 -1.08 -1.26 0.14 116.67 120.24 1f4h s ASP 172 Ca -0.09 -1.36 0.27 0.00 -0.52 0.00 0.00 52.55 50.85 1f4h s ASP 172 Cb -0.03 -2.32 0.90 0.00 -1.46 0.00 0.00 42.92 40.01 1f4h s ASP 172 CO -0.01 -1.17 1.71 0.18 0.52 0.00 0.00 175.17 176.40 1f4h n LEU 173 N 6.57 0.30 0.09 -1.34 4.77 -0.68 -4.52 117.00 122.19 1f4h n LEU 173 Ca -0.09 0.35 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 1f4h n LEU 173 Cb 0.43 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1f4h n LEU 173 CO 0.59 0.01 0.75 -1.20 -1.33 0.00 0.00 177.39 176.21 1f4h n SER 174 N -1.65 0.00 -1.92 -1.43 7.64 -1.10 0.94 113.62 116.10 1f4h n SER 174 Ca 0.06 0.41 0.01 0.00 1.01 0.00 0.00 58.87 60.36 1f4h n SER 174 Cb 0.36 -0.07 0.05 0.00 -1.01 0.00 0.00 64.21 63.54 1f4h n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f4h n ALA 175 N -1.46 2.74 0.00 -0.43 0.00 -1.26 -4.61 120.51 115.48 1f4h n ALA 175 Ca 0.06 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1f4h n ALA 175 Cb 0.82 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.12 0.00 -2.44 0.00 3.01 0.27 -5.05 117.46 113.13 1f4h n PHE 176 Ca 0.10 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.21 1f4h n PHE 176 Cb 0.97 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.42 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 -2.85 3.85 0.27 4.37 1.43 -0.96 -4.70 118.68 120.09 1f4h s LEU 177 Ca 0.00 2.04 0.03 0.00 -1.03 0.00 0.00 54.13 55.17 1f4h s LEU 177 Cb 0.00 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.65 1f4h s LEU 177 CO 0.00 -0.90 0.03 0.00 0.23 0.00 0.00 176.35 175.71 1f4h s ARG 178 N -3.15 1.48 0.53 1.70 1.70 -1.26 -5.03 118.95 114.92 1f4h s ARG 178 Ca 0.68 -1.79 -0.21 0.00 -0.47 0.00 0.00 55.73 53.94 1f4h s ARG 178 Cb -0.20 -0.70 -0.05 0.00 -0.57 0.00 0.00 34.95 33.43 1f4h s ARG 178 CO 0.24 -0.15 1.22 0.00 -1.08 0.00 0.00 175.30 175.52 1f4h s ALA 179 N -3.40 2.77 0.00 7.88 0.00 -1.26 -4.49 121.76 123.26 1f4h s ALA 179 Ca 0.33 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1f4h s ALA 179 Cb 0.07 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1f4h s ALA 179 CO 0.12 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1f4h n GLY 180 N 0.50 3.31 3.68 0.00 0.00 0.02 -4.73 105.19 107.97 1f4h n GLY 180 Ca 0.11 0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.93 1f4h n GLY 180 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f4h n GLU 181 N 10.38 2.40 -3.75 1.61 2.13 -1.26 0.62 120.64 132.76 1f4h n GLU 181 Ca 0.00 0.87 -0.13 0.00 0.66 0.00 0.00 57.16 58.56 1f4h n GLU 181 Cb 0.00 -2.70 -0.08 0.00 0.27 0.00 0.00 31.44 28.93 1f4h n GLU 181 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1f4h s ASN 182 N 2.06 -0.17 -0.02 4.31 0.01 1.10 -4.68 114.94 117.54 1f4h s ASN 182 Ca 0.82 -0.00 0.01 0.00 -0.71 0.00 0.00 52.86 52.97 1f4h s ASN 182 Cb -0.61 0.33 0.01 0.00 0.41 0.00 0.00 41.25 41.40 1f4h s ASN 182 CO 0.40 -0.51 -0.01 -0.60 -1.51 0.00 0.00 177.10 174.87 1f4h s ARG 183 N -1.76 0.26 -0.15 -0.60 3.52 -1.26 0.27 118.95 119.24 1f4h s ARG 183 Ca -0.11 0.00 -0.05 0.00 -0.13 0.00 0.00 55.73 55.45 1f4h s ARG 183 Cb -0.04 -0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 32.95 1f4h s ARG 183 CO 0.02 -0.05 0.02 -0.51 -0.81 0.00 0.00 175.30 173.96 1f4h s LEU 184 N 0.55 3.58 -0.22 -0.88 1.43 0.14 -0.82 118.68 122.47 1f4h s LEU 184 Ca -0.05 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1f4h s LEU 184 Cb -0.08 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1f4h s LEU 184 CO -0.01 0.22 -0.07 0.00 0.23 0.00 0.00 176.35 176.72 1f4h s ALA 185 N 0.05 2.70 -0.16 4.21 0.00 -0.70 -2.47 121.76 125.40 1f4h s ALA 185 Ca 0.03 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1f4h s ALA 185 Cb -0.13 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.40 1f4h s ALA 185 CO 0.02 -0.48 -0.20 0.08 0.00 0.00 0.00 175.76 175.17 1f4h s VAL 186 N 1.42 1.98 -0.16 0.00 1.01 -0.19 -1.53 120.40 122.94 1f4h s VAL 186 Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1f4h s VAL 186 Cb -0.14 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1f4h s VAL 186 CO -0.05 0.53 -0.20 0.00 0.00 0.00 0.00 175.10 175.38 1f4h s MET 187 N 1.11 3.06 -0.36 2.72 0.23 0.40 -0.90 119.30 125.56 1f4h s MET 187 Ca -0.00 -0.82 -0.10 0.00 -1.03 0.00 0.00 55.69 53.74 1f4h s MET 187 Cb -0.14 -2.52 0.03 0.00 -1.53 0.00 0.00 34.83 30.67 1f4h s MET 187 CO -0.08 -0.06 0.17 0.08 -2.03 0.00 0.00 175.02 173.10 1f4h s VAL 188 N 0.95 4.35 -0.11 5.16 1.01 -0.66 -0.79 120.40 130.31 1f4h s VAL 188 Ca -0.03 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1f4h s VAL 188 Cb -0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1f4h s VAL 188 CO -0.04 -0.19 0.66 -0.76 0.00 0.00 0.00 175.10 174.76 1f4h s LEU 189 N 1.52 4.26 0.44 3.92 1.43 0.17 -2.23 118.68 128.18 1f4h s LEU 189 Ca 0.01 1.04 0.24 0.00 -1.03 0.00 0.00 54.13 54.40 1f4h s LEU 189 Cb -0.19 -2.99 0.74 0.00 0.03 0.00 0.00 46.19 43.78 1f4h s LEU 189 CO 0.05 -0.16 1.75 -0.09 0.23 0.00 0.00 176.35 178.13 1f4h h ARG 190 N 6.98 0.00 -5.69 1.70 2.43 -1.64 -0.06 114.38 118.10 1f4h h ARG 190 Ca -0.38 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.31 1f4h h ARG 190 Cb 1.18 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.49 1f4h h ARG 190 CO 0.77 0.18 -0.81 -1.58 -1.51 0.00 0.00 179.97 177.02 1f4h s TRP 191 N -3.44 1.47 0.30 2.20 0.52 -1.26 -4.18 118.94 114.55 1f4h s TRP 191 Ca 0.03 -0.41 -0.19 0.00 0.02 0.00 0.00 56.10 55.55 1f4h s TRP 191 Cb 0.08 -0.84 0.04 0.00 -1.15 0.00 0.00 33.47 31.61 1f4h s TRP 191 CO 0.64 0.10 0.80 -1.54 0.02 0.00 0.00 176.95 176.97 1f4h s SER 192 N -1.54 -0.13 0.41 2.95 1.04 -1.26 -4.85 113.70 110.33 1f4h s SER 192 Ca 0.03 -0.80 0.29 0.00 0.48 0.00 0.00 55.95 55.94 1f4h s SER 192 Cb -0.09 0.73 1.42 0.00 0.10 0.00 0.00 66.02 68.18 1f4h s SER 192 CO 0.02 -1.40 1.87 -2.24 0.98 0.00 0.00 173.24 172.47 1f4h h ASP 193 N 2.00 0.00 -0.67 7.02 3.04 -1.01 -1.41 116.42 125.39 1f4h h ASP 193 Ca -0.25 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.59 1f4h h ASP 193 Cb 1.25 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.50 1f4h h ASP 193 CO 0.31 0.00 0.44 1.23 -2.04 0.00 0.00 179.24 179.18 1f4h h GLY 194 N 0.88 0.87 1.51 7.15 0.00 -1.88 -2.03 103.07 109.58 1f4h h GLY 194 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 47.33 47.11 1f4h h GLY 194 CO 0.00 0.22 0.18 1.76 0.00 0.00 0.00 176.54 178.71 1f4h h SER 195 N 0.72 0.00 0.16 0.19 0.02 -1.58 0.14 113.55 113.19 1f4h h SER 195 Ca 0.28 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 1f4h h SER 195 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1f4h h SER 195 CO -0.09 0.00 -0.42 1.88 -1.14 0.00 0.00 176.83 177.06 1f4h h TYR 196 N 0.00 0.40 0.00 3.45 -1.99 -1.55 -2.03 116.97 115.24 1f4h h TYR 196 Ca 0.11 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1f4h h TYR 196 Cb 0.47 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.11 1f4h h TYR 196 CO 0.00 0.71 0.00 1.28 -0.00 0.00 0.00 178.16 180.15 1f4h n LEU 197 N -4.01 0.07 -2.91 3.88 4.77 0.43 -4.11 117.00 115.11 1f4h n LEU 197 Ca -0.02 0.51 -0.26 0.00 -0.03 0.00 0.00 56.01 56.21 1f4h n LEU 197 Cb 0.50 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1f4h n LEU 197 CO 0.43 -0.03 0.13 -0.62 -1.33 0.00 0.00 177.39 175.96 1f4h n GLU 198 N -1.57 3.10 -1.35 3.23 1.02 -0.76 -1.03 120.64 123.28 1f4h n GLU 198 Ca 0.07 -4.73 -0.24 0.00 -0.02 0.00 0.00 57.16 52.24 1f4h n GLU 198 Cb 0.34 -2.20 -0.05 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.23 6.38 -4.77 1.62 2.03 0.00 -4.95 116.55 116.63 1f4h n ASP 199 Ca 0.31 -3.13 -0.40 0.00 0.52 0.00 0.00 54.79 52.09 1f4h n ASP 199 Cb 0.43 -1.22 -0.02 0.00 -0.72 0.00 0.00 41.12 39.60 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 -1.54 4.26 -0.61 -0.67 1.11 -1.26 -4.56 119.66 116.39 1f4h s GLN 200 Ca 0.55 2.03 -0.26 0.00 0.01 0.00 0.00 55.36 57.68 1f4h s GLN 200 Cb 0.36 -2.93 -0.03 0.00 -1.01 0.00 0.00 33.01 29.39 1f4h s GLN 200 CO -0.17 -0.20 1.97 0.34 0.01 0.00 0.00 175.29 177.25 1f4h s ASP 201 N -0.78 5.09 0.00 5.90 2.15 -1.22 -4.72 116.67 123.09 1f4h s ASP 201 Ca 0.52 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.89 1f4h s ASP 201 Cb -0.36 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 1f4h s ASP 201 CO 0.46 -2.52 0.00 1.15 -0.17 0.00 0.00 175.17 174.09 1f4h n MET 202 N 9.13 0.00 -1.89 4.34 0.00 -1.23 -5.02 117.12 122.45 1f4h n MET 202 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.54 1f4h n MET 202 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.73 1f4h n MET 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1f4h s TRP 203 N -2.00 2.81 -0.12 3.17 0.52 -1.26 -4.36 118.94 117.70 1f4h s TRP 203 Ca 0.00 1.05 -0.24 0.00 0.02 0.00 0.00 56.10 56.93 1f4h s TRP 203 Cb 0.00 -3.94 -0.03 0.00 -1.15 0.00 0.00 33.47 28.36 1f4h s TRP 203 CO 0.00 -2.93 0.74 1.03 0.02 0.00 0.00 176.95 175.82 1f4h s ARG 204 N -1.14 4.35 0.32 4.98 1.81 0.46 -4.90 118.95 124.83 1f4h s ARG 204 Ca 0.57 0.90 -0.09 0.00 -1.72 0.00 0.00 55.73 55.40 1f4h s ARG 204 Cb -0.45 -3.52 0.01 0.00 -0.45 0.00 0.00 34.95 30.55 1f4h s ARG 204 CO 0.52 -0.13 0.53 -1.64 -0.68 0.00 0.00 175.30 173.90 1f4h s MET 205 N 1.47 1.84 0.00 3.54 -1.94 -1.26 -2.18 119.30 120.78 1f4h s MET 205 Ca 0.37 -1.52 -0.24 0.00 -1.71 0.00 0.00 55.69 52.58 1f4h s MET 205 Cb -0.17 0.49 0.05 0.00 2.01 0.00 0.00 34.83 37.21 1f4h s MET 205 CO 0.15 -0.79 0.55 -1.54 -0.01 0.00 0.00 175.02 173.38 1f4h s SER 206 N -3.13 -0.48 0.00 3.03 1.04 -1.26 -4.79 113.70 108.10 1f4h s SER 206 Ca 0.25 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1f4h s SER 206 Cb -0.01 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1f4h s SER 206 CO 0.15 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1f4h n GLY 207 N 0.72 1.01 2.92 7.32 0.00 -0.18 -2.11 105.19 114.86 1f4h n GLY 207 Ca -0.19 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1f4h n GLY 207 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1f4h n ILE 208 N -1.57 4.58 0.93 -0.61 5.41 -1.22 -1.27 119.36 125.60 1f4h n ILE 208 Ca 0.00 -4.77 0.14 0.00 1.00 0.00 0.00 62.75 59.11 1f4h n ILE 208 Cb 0.00 -2.30 0.56 0.00 -0.71 0.00 0.00 39.64 37.20 1f4h n ILE 208 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 1f4h n PHE 209 N 3.32 0.17 -4.53 1.39 1.16 -1.10 -2.58 117.46 115.29 1f4h n PHE 209 Ca 0.36 0.05 -0.30 0.00 -1.87 0.00 0.00 57.45 55.70 1f4h n PHE 209 Cb 0.36 -0.57 -0.07 0.00 -1.61 0.00 0.00 39.48 37.58 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 -3.02 2.15 1.00 3.97 0.52 -1.00 -4.49 118.95 118.08 1f4h s ARG 210 Ca 0.13 -2.20 -0.14 0.00 -0.52 0.00 0.00 55.73 53.00 1f4h s ARG 210 Cb 0.18 -1.69 0.08 0.00 0.52 0.00 0.00 34.95 34.03 1f4h s ARG 210 CO 0.55 -0.29 0.44 -0.25 0.02 0.00 0.00 175.30 175.78 1f4h n ASP 211 N -1.25 -1.84 -4.03 0.23 9.92 -1.26 -4.57 116.55 113.75 1f4h n ASP 211 Ca -0.11 0.21 -0.24 0.00 -0.53 0.00 0.00 54.79 54.12 1f4h n ASP 211 Cb 0.66 -1.19 -0.16 0.00 -0.64 0.00 0.00 41.12 39.79 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 -2.39 1.08 0.24 2.53 1.01 -1.26 -1.75 120.40 119.86 1f4h s VAL 212 Ca 0.59 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1f4h s VAL 212 Cb -0.20 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1f4h s VAL 212 CO 0.66 0.33 0.24 -0.44 0.00 0.00 0.00 175.10 175.89 1f4h s SER 213 N 0.44 0.41 -0.04 3.32 0.01 0.29 -1.36 113.70 116.77 1f4h s SER 213 Ca -0.10 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.78 1f4h s SER 213 Cb -0.13 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.59 1f4h s SER 213 CO 0.02 -0.96 -0.01 -0.76 0.41 0.00 0.00 173.24 171.95 1f4h s LEU 214 N -3.18 1.04 -0.04 2.44 2.01 -0.00 -1.36 118.68 119.58 1f4h s LEU 214 Ca 0.36 -0.06 0.02 0.00 0.01 0.00 0.00 54.13 54.46 1f4h s LEU 214 Cb 0.04 -0.32 0.01 0.00 0.01 0.00 0.00 46.19 45.94 1f4h s LEU 214 CO 0.15 -0.11 -0.08 -0.22 1.01 0.00 0.00 176.35 177.09 1f4h s LEU 215 N 1.24 1.57 -0.33 1.79 2.96 -1.02 0.32 118.68 125.22 1f4h s LEU 215 Ca -0.06 -0.20 -0.14 0.00 -0.22 0.00 0.00 54.13 53.50 1f4h s LEU 215 Cb -0.13 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 1f4h s LEU 215 CO -0.02 0.01 0.33 -2.28 -1.32 0.00 0.00 176.35 173.07 1f4h s HIS 216 N 0.61 3.22 0.17 5.38 5.65 0.10 -1.35 115.29 129.06 1f4h s HIS 216 Ca -0.10 0.00 0.10 0.00 0.25 0.00 0.00 55.06 55.32 1f4h s HIS 216 Cb -0.13 -2.61 -0.04 0.00 -1.18 0.00 0.00 32.58 28.62 1f4h s HIS 216 CO 0.01 -0.38 -0.20 0.21 -0.65 0.00 0.00 174.74 173.74 1f4h s LYS 217 N 1.96 1.68 0.92 2.88 2.20 0.73 -4.81 119.74 125.30 1f4h s LYS 217 Ca 0.11 -1.37 -0.11 0.00 -0.36 0.00 0.00 55.97 54.24 1f4h s LYS 217 Cb -0.17 -1.98 0.15 0.00 -1.51 0.00 0.00 37.83 34.32 1f4h s LYS 217 CO 0.11 0.43 1.10 -1.25 -0.36 0.00 0.00 175.35 175.39 1f4h s PRO 218 N -2.52 1.00 0.20 4.03 0.05 -1.26 0.31 135.00 136.82 1f4h s PRO 218 Ca 0.20 1.20 -0.04 0.00 0.05 0.00 0.00 61.00 62.41 1f4h s PRO 218 Cb -0.09 -1.75 0.15 0.00 0.05 0.00 0.00 34.50 32.86 1f4h s PRO 218 CO 0.11 -2.53 1.58 1.15 0.05 0.00 0.00 177.00 177.36 1f4h h THR 219 N -1.78 1.28 -3.62 1.26 2.02 -1.94 -3.36 112.91 106.78 1f4h h THR 219 Ca -0.48 -1.49 -0.70 0.00 0.77 0.00 0.00 66.41 64.51 1f4h h THR 219 Cb 1.27 1.41 -0.27 0.00 -1.74 0.00 0.00 68.15 68.82 1f4h h THR 219 CO 0.48 0.49 -0.56 -0.89 0.37 0.00 0.00 175.52 175.41 1f4h s THR 220 N -4.39 4.14 0.38 3.16 2.01 -1.26 -4.43 115.64 115.24 1f4h s THR 220 Ca -0.09 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 60.92 1f4h s THR 220 Cb 0.12 -3.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1f4h s THR 220 CO 0.84 -0.24 0.23 0.00 -0.69 0.00 0.00 174.62 174.76 1f4h s GLN 221 N 1.46 1.87 -0.42 4.92 -2.07 -0.88 -4.91 119.66 119.64 1f4h s GLN 221 Ca 0.00 -2.12 -0.29 0.00 -1.82 0.00 0.00 55.36 51.13 1f4h s GLN 221 Cb -0.20 -0.06 0.02 0.00 -1.09 0.00 0.00 33.01 31.69 1f4h s GLN 221 CO 0.04 -0.61 1.13 0.42 -1.32 0.00 0.00 175.29 174.96 1f4h s ILE 222 N -3.31 4.29 -0.08 3.63 1.01 -1.26 -1.42 121.20 124.06 1f4h s ILE 222 Ca 0.33 1.39 -0.18 0.00 0.00 0.00 0.00 60.65 62.18 1f4h s ILE 222 Cb 0.02 -4.52 -0.29 0.00 0.01 0.00 0.00 42.46 37.68 1f4h s ILE 222 CO 0.23 -0.81 0.69 0.77 0.00 0.00 0.00 174.94 175.81 1f4h h SER 223 N 8.90 0.42 -4.98 3.58 4.64 -0.52 -3.47 113.55 122.12 1f4h h SER 223 Ca -0.22 -0.89 0.01 0.00 -0.47 0.00 0.00 61.79 60.22 1f4h h SER 223 Cb 1.06 -0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 62.90 1f4h h SER 223 CO 1.09 1.54 0.24 -0.62 -0.87 0.00 0.00 176.83 178.21 1f4h s ASP 224 N -7.03 -0.50 -0.16 4.97 3.68 -0.94 -4.90 116.67 111.79 1f4h s ASP 224 Ca -0.17 -0.10 -0.28 0.00 2.13 0.00 0.00 52.55 54.12 1f4h s ASP 224 Cb 0.03 0.60 0.08 0.00 -1.45 0.00 0.00 42.92 42.19 1f4h s ASP 224 CO 0.79 -1.00 0.76 0.72 0.13 0.00 0.00 175.17 176.57 1f4h s PHE 225 N -3.73 -0.66 -0.00 -5.34 -0.12 -1.25 0.11 117.98 106.98 1f4h s PHE 225 Ca 0.03 1.38 0.02 0.00 -0.05 0.00 0.00 56.93 58.31 1f4h s PHE 225 Cb -0.02 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 1f4h s PHE 225 CO -0.09 -0.46 -0.06 -1.01 -0.05 0.00 0.00 175.22 173.54 1f4h s HIS 226 N -0.47 0.52 0.10 3.49 0.09 0.81 -4.87 115.29 114.96 1f4h s HIS 226 Ca -0.05 -0.13 0.02 0.00 -0.00 0.00 0.00 55.06 54.90 1f4h s HIS 226 Cb -0.02 -0.33 -0.04 0.00 -0.00 0.00 0.00 32.58 32.19 1f4h s HIS 226 CO 0.04 -0.01 0.20 0.08 -0.00 0.00 0.00 174.74 175.05 1f4h s VAL 227 N -0.23 5.09 0.01 -0.90 1.01 -1.26 -1.17 120.40 122.95 1f4h s VAL 227 Ca 0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1f4h s VAL 227 Cb -0.03 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1f4h s VAL 227 CO -0.00 0.04 0.21 0.00 0.00 0.00 0.00 175.10 175.35 1f4h s ALA 228 N -1.58 -0.48 -0.27 5.51 0.00 0.19 -4.91 121.76 120.21 1f4h s ALA 228 Ca 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1f4h s ALA 228 Cb -0.12 0.17 0.11 0.00 0.00 0.00 0.00 23.12 23.29 1f4h s ALA 228 CO 0.26 -0.29 0.22 0.95 0.00 0.00 0.00 175.76 176.90 1f4h s THR 229 N -1.86 -0.26 0.29 0.00 -4.23 -1.26 0.29 115.64 108.62 1f4h s THR 229 Ca -0.10 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 1f4h s THR 229 Cb -0.04 -0.93 -0.09 0.00 1.34 0.00 0.00 72.50 72.78 1f4h s THR 229 CO 0.00 -0.52 0.69 -0.13 -0.54 0.00 0.00 174.62 174.12 1f4h s ARG 230 N 2.25 3.97 0.21 3.99 0.52 -0.99 -4.83 118.95 124.07 1f4h s ARG 230 Ca 0.09 0.58 0.05 0.00 -0.52 0.00 0.00 55.73 55.93 1f4h s ARG 230 Cb -0.15 -2.50 -0.05 0.00 0.52 0.00 0.00 34.95 32.77 1f4h s ARG 230 CO -0.31 0.21 -0.06 -0.06 0.02 0.00 0.00 175.30 175.09 1f4h s PHE 231 N -1.92 1.57 0.80 -0.53 0.40 -1.26 -1.37 117.98 115.66 1f4h s PHE 231 Ca 0.52 -0.78 -0.08 0.00 -0.60 0.00 0.00 56.93 55.99 1f4h s PHE 231 Cb -0.11 -0.85 0.13 0.00 0.51 0.00 0.00 43.02 42.70 1f4h s PHE 231 CO 0.18 0.12 1.12 0.54 0.70 0.00 0.00 175.22 177.87 1f4h s ASN 232 N -3.29 4.10 0.22 1.36 4.22 -0.54 -4.93 114.94 116.07 1f4h s ASN 232 Ca 0.24 0.15 -0.18 0.00 -2.14 0.00 0.00 52.86 50.94 1f4h s ASN 232 Cb 0.03 -0.52 0.21 0.00 1.28 0.00 0.00 41.25 42.26 1f4h s ASN 232 CO 0.07 -2.06 1.57 -2.24 -2.04 0.00 0.00 177.10 172.39 1f4h h ASP 233 N -0.94 -1.29 0.72 3.54 2.03 -2.01 -1.65 116.42 116.81 1f4h h ASP 233 Ca -0.42 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1f4h h ASP 233 Cb 1.27 0.68 0.00 0.00 -0.83 0.00 0.00 39.33 40.45 1f4h h ASP 233 CO 0.47 -0.29 -0.66 -0.90 -1.03 0.00 0.00 179.24 176.82 1f4h n ASP 234 N -5.47 0.63 0.00 4.15 5.68 -1.26 -4.94 116.55 115.34 1f4h n ASP 234 Ca 0.08 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1f4h n ASP 234 Cb 0.39 0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 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 -1.95 0.00 0.28 2.11 3.01 -0.62 -4.91 117.46 115.38 1f4h n PHE 235 Ca 0.04 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.64 1f4h n PHE 235 Cb 0.42 0.00 0.71 0.00 -0.01 0.00 0.00 39.48 40.60 1f4h n PHE 235 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1f4h h SER 236 N 0.00 0.00 -4.09 4.37 4.64 -1.92 -3.41 113.55 113.15 1f4h h SER 236 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1f4h h SER 236 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 1f4h h SER 236 CO 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 176.83 175.38 1f4h s ARG 237 N -3.63 0.21 0.23 4.77 1.70 -1.26 0.27 118.95 121.23 1f4h s ARG 237 Ca -0.01 -0.00 -0.04 0.00 -0.47 0.00 0.00 55.73 55.21 1f4h s ARG 237 Cb 0.09 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 1f4h s ARG 237 CO 0.34 -0.04 0.26 0.00 -1.08 0.00 0.00 175.30 174.79 1f4h s ALA 238 N -0.32 0.75 -0.05 7.88 0.00 -0.95 -1.47 121.76 127.60 1f4h s ALA 238 Ca -0.04 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1f4h s ALA 238 Cb -0.03 1.28 0.02 0.00 0.00 0.00 0.00 23.12 24.39 1f4h s ALA 238 CO 0.00 -0.69 -0.08 0.08 0.00 0.00 0.00 175.76 175.08 1f4h s VAL 239 N -4.02 0.76 -0.15 0.00 1.01 -0.47 -0.91 120.40 116.62 1f4h s VAL 239 Ca 0.34 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 1f4h s VAL 239 Cb 0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1f4h s VAL 239 CO 0.12 0.27 0.07 -0.22 0.00 0.00 0.00 175.10 175.34 1f4h s LEU 240 N 0.67 3.91 -0.22 3.92 0.20 0.35 -2.36 118.68 125.15 1f4h s LEU 240 Ca -0.11 0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.89 1f4h s LEU 240 Cb -0.14 -1.96 0.03 0.00 -0.43 0.00 0.00 46.19 43.69 1f4h s LEU 240 CO 0.01 0.26 -0.12 -1.61 -0.29 0.00 0.00 176.35 174.61 1f4h s GLU 241 N -0.17 2.80 -0.09 1.98 2.02 0.15 0.58 118.70 125.96 1f4h s GLU 241 Ca 0.08 -0.98 0.04 0.00 0.02 0.00 0.00 54.97 54.12 1f4h s GLU 241 Cb -0.12 -2.82 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 1f4h s GLU 241 CO 0.01 -0.35 -0.21 0.00 0.02 0.00 0.00 175.26 174.72 1f4h s ALA 242 N 1.28 2.29 -0.11 5.21 0.00 0.91 -0.64 121.76 130.70 1f4h s ALA 242 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1f4h s ALA 242 Cb -0.16 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.10 1f4h s ALA 242 CO -0.08 0.32 -0.13 -2.00 0.00 0.00 0.00 175.76 173.88 1f4h s GLU 243 N 0.18 2.00 -0.00 0.00 2.12 -0.32 0.21 118.70 122.88 1f4h s GLU 243 Ca -0.12 -0.48 0.08 0.00 0.36 0.00 0.00 54.97 54.81 1f4h s GLU 243 Cb -0.16 -1.76 -0.02 0.00 0.26 0.00 0.00 34.13 32.44 1f4h s GLU 243 CO 0.07 -0.10 -0.25 0.08 -0.54 0.00 0.00 175.26 174.51 1f4h s VAL 244 N 1.11 1.98 0.14 3.70 1.01 -0.12 -0.14 120.40 128.09 1f4h s VAL 244 Ca -0.05 -1.13 0.10 0.00 0.00 0.00 0.00 61.98 60.90 1f4h s VAL 244 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1f4h s VAL 244 CO -0.03 0.50 -0.24 0.00 0.00 0.00 0.00 175.10 175.33 1f4h s GLN 245 N -0.74 1.34 0.22 2.72 -2.07 0.12 -1.86 119.66 119.39 1f4h s GLN 245 Ca 0.10 -1.34 0.08 0.00 -1.82 0.00 0.00 55.36 52.38 1f4h s GLN 245 Cb -0.10 -1.69 -0.05 0.00 -1.09 0.00 0.00 33.01 30.09 1f4h s GLN 245 CO -0.00 0.38 -0.13 0.00 -1.32 0.00 0.00 175.29 174.22 1f4h s MET 246 N -2.23 1.40 0.05 9.60 0.23 -0.90 0.23 119.30 127.68 1f4h s MET 246 Ca 0.14 -1.64 0.06 0.00 -1.03 0.00 0.00 55.69 53.22 1f4h s MET 246 Cb -0.09 -1.18 -0.03 0.00 -1.53 0.00 0.00 34.83 32.00 1f4h s MET 246 CO 0.06 0.17 -0.17 0.00 -2.03 0.00 0.00 175.02 173.05 1f4h n GLY 248 N 1.68 -0.49 3.57 0.00 0.00 -1.26 -2.07 105.19 106.62 1f4h n GLY 248 Ca -0.18 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 3.89 -0.28 1.61 4.04 -1.26 -4.99 118.70 121.71 1f4h s GLU 249 Ca 0.00 -0.37 -0.29 0.00 0.04 0.00 0.00 54.97 54.35 1f4h s GLU 249 Cb 0.00 -3.38 0.00 0.00 0.02 0.00 0.00 34.13 30.77 1f4h s GLU 249 CO 0.00 0.01 1.23 -1.17 -1.84 0.00 0.00 175.26 173.50 1f4h s LEU 250 N 1.11 3.95 -0.02 1.83 0.20 -1.26 -4.96 118.68 119.54 1f4h s LEU 250 Ca 0.05 1.26 0.05 0.00 0.69 0.00 0.00 54.13 56.18 1f4h s LEU 250 Cb -0.14 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.07 1f4h s LEU 250 CO 0.04 -0.96 -0.16 -0.13 -0.29 0.00 0.00 176.35 174.85 1f4h s ARG 251 N 3.90 1.34 0.32 1.98 1.81 -1.26 -5.07 118.95 121.97 1f4h s ARG 251 Ca 0.53 -0.56 0.09 0.00 -1.72 0.00 0.00 55.73 54.07 1f4h s ARG 251 Cb -0.16 -1.27 0.86 0.00 -0.45 0.00 0.00 34.95 33.92 1f4h s ARG 251 CO 0.19 0.31 1.75 0.38 -0.68 0.00 0.00 175.30 177.25 1f4h h ASP 252 N 5.86 0.70 0.00 0.23 3.04 -2.01 -0.64 116.42 123.59 1f4h h ASP 252 Ca -0.35 0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.56 1f4h h ASP 252 Cb 1.16 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1f4h h ASP 252 CO 0.48 0.15 0.00 0.00 -2.04 0.00 0.00 179.24 177.84 1f4h n TYR 253 N -4.84 0.00 -3.24 4.15 0.18 -1.26 -4.72 117.16 107.43 1f4h n TYR 253 Ca 0.26 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.65 1f4h n TYR 253 Cb 0.70 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.61 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 -1.68 4.33 0.23 -3.48 1.43 -0.25 0.28 118.68 119.54 1f4h s LEU 254 Ca 0.05 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 1f4h s LEU 254 Cb 0.02 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 1f4h s LEU 254 CO 0.04 0.02 0.03 -0.13 0.23 0.00 0.00 176.35 176.53 1f4h s ARG 255 N 0.36 1.33 -0.02 1.70 1.81 -0.12 -4.16 118.95 119.85 1f4h s ARG 255 Ca 0.30 -1.68 0.03 0.00 -1.72 0.00 0.00 55.73 52.66 1f4h s ARG 255 Cb -0.17 -0.47 -0.00 0.00 -0.45 0.00 0.00 34.95 33.86 1f4h s ARG 255 CO 0.14 -0.16 -0.12 0.08 -0.68 0.00 0.00 175.30 174.56 1f4h s VAL 256 N -3.54 0.98 -0.13 3.52 1.01 0.28 -1.08 120.40 121.44 1f4h s VAL 256 Ca 0.30 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1f4h s VAL 256 Cb 0.06 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1f4h s VAL 256 CO 0.09 0.29 0.01 -0.89 0.00 0.00 0.00 175.10 174.61 1f4h s THR 257 N -0.04 0.47 -0.10 3.92 2.01 0.46 0.70 115.64 123.05 1f4h s THR 257 Ca 0.00 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1f4h s THR 257 Cb -0.07 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1f4h s THR 257 CO 0.00 0.05 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.26 1f4h s VAL 258 N 1.91 3.94 -0.14 3.82 1.01 0.85 0.21 120.40 132.00 1f4h s VAL 258 Ca 0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 1f4h s VAL 258 Cb -0.14 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.62 1f4h s VAL 258 CO -0.07 0.57 0.36 -0.94 0.00 0.00 0.00 175.10 175.03 1f4h s SER 259 N -0.46 -0.39 -0.15 3.32 1.04 0.68 -0.39 113.70 117.35 1f4h s SER 259 Ca 0.07 0.74 -0.08 0.00 0.48 0.00 0.00 55.95 57.17 1f4h s SER 259 Cb -0.12 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1f4h s SER 259 CO 0.02 -0.14 0.12 -0.22 0.98 0.00 0.00 173.24 174.00 1f4h s LEU 260 N 0.43 4.23 -0.03 2.42 2.96 0.45 -1.62 118.68 127.52 1f4h s LEU 260 Ca -0.02 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 1f4h s LEU 260 Cb -0.04 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.61 1f4h s LEU 260 CO -0.02 0.32 -0.08 0.26 -1.32 0.00 0.00 176.35 175.51 1f4h s TRP 261 N -0.48 0.90 -0.40 5.38 0.52 0.91 0.55 118.94 126.33 1f4h s TRP 261 Ca 0.12 -0.23 -0.02 0.00 0.02 0.00 0.00 56.10 55.98 1f4h s TRP 261 Cb -0.12 -0.67 0.11 0.00 -1.15 0.00 0.00 33.47 31.64 1f4h s TRP 261 CO 0.02 -0.12 0.18 -1.14 0.02 0.00 0.00 176.95 175.91 1f4h s GLN 262 N 0.33 1.99 6.74 4.98 0.74 -0.11 0.54 119.66 134.87 1f4h s GLN 262 Ca -0.05 -1.79 0.00 0.00 0.05 0.00 0.00 55.36 53.56 1f4h s GLN 262 Cb -0.10 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.47 1f4h s GLN 262 CO 0.01 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.11 1f4h n GLY 263 N 4.57 2.14 0.60 2.59 0.00 -1.26 -1.01 105.19 112.83 1f4h n GLY 263 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 4.76 2.40 -3.87 1.61 -0.58 -1.26 -4.96 120.64 118.74 1f4h n GLU 264 Ca 0.00 -1.87 -0.36 0.00 -0.42 0.00 0.00 57.16 54.51 1f4h n GLU 264 Cb 0.00 -1.26 -0.11 0.00 -0.57 0.00 0.00 31.44 29.50 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 4.74 -0.36 2.62 2.01 -0.18 -5.07 115.64 118.42 1f4h s THR 265 Ca 0.21 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1f4h s THR 265 Cb 0.12 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.46 1f4h s THR 265 CO 0.15 0.39 1.15 -1.58 -0.69 0.00 0.00 174.62 174.05 1f4h s GLN 266 N 0.95 3.93 -0.03 4.92 0.74 -1.26 -0.93 119.66 127.98 1f4h s GLN 266 Ca 0.05 0.97 -0.18 0.00 0.05 0.00 0.00 55.36 56.25 1f4h s GLN 266 Cb -0.14 -3.82 -0.32 0.00 1.10 0.00 0.00 33.01 29.83 1f4h s GLN 266 CO 0.03 -1.09 0.86 0.28 -0.55 0.00 0.00 175.29 174.81 1f4h h VAL 267 N 5.93 1.33 -2.37 1.34 2.07 -0.27 -3.48 116.25 120.80 1f4h h VAL 267 Ca -0.23 -2.56 0.07 0.00 0.82 0.00 0.00 66.70 64.80 1f4h h VAL 267 Cb 1.07 3.06 -0.15 0.00 -1.52 0.00 0.00 31.29 33.74 1f4h h VAL 267 CO 1.06 0.75 0.42 0.00 0.02 0.00 0.00 177.57 179.82 1f4h s ALA 268 N -2.50 -1.78 -0.05 1.67 0.00 -1.20 -4.96 121.76 112.95 1f4h s ALA 268 Ca -0.13 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 1f4h s ALA 268 Cb 0.03 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1f4h s ALA 268 CO 0.86 -0.66 0.22 0.45 0.00 0.00 0.00 175.76 176.63 1f4h s SER 269 N -2.36 -0.17 -0.12 0.00 0.15 -1.26 0.17 113.70 110.11 1f4h s SER 269 Ca 0.03 0.25 -0.10 0.00 0.70 0.00 0.00 55.95 56.83 1f4h s SER 269 Cb -0.01 0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1f4h s SER 269 CO -0.08 -0.20 0.31 -0.83 1.20 0.00 0.00 173.24 173.64 1f4h s GLY 270 N -0.45 -0.23 -0.02 9.45 0.00 0.48 -4.99 107.32 111.56 1f4h s GLY 270 Ca -0.05 0.97 0.07 0.00 0.00 0.00 0.00 44.72 45.70 1f4h s GLY 270 CO 0.01 0.92 -0.23 -1.59 0.00 0.00 0.00 173.10 172.22 1f4h s THR 271 N 0.45 1.81 0.10 0.90 2.01 -1.25 -0.11 115.64 119.55 1f4h s THR 271 Ca -0.02 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 60.75 1f4h s THR 271 Cb -0.04 -1.51 0.08 0.00 0.01 0.00 0.00 72.50 71.04 1f4h s THR 271 CO -0.02 0.51 0.72 0.00 -0.69 0.00 0.00 174.62 175.14 1f4h s ALA 272 N -0.47 -1.67 0.60 7.40 0.00 0.22 -4.94 121.76 122.90 1f4h s ALA 272 Ca 0.07 0.64 -0.07 0.00 0.00 0.00 0.00 51.96 52.60 1f4h s ALA 272 Cb -0.09 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.74 1f4h s ALA 272 CO -0.00 -0.76 0.92 -1.25 0.00 0.00 0.00 175.76 174.67 1f4h s PRO 273 N -3.51 2.97 0.79 0.00 0.04 -1.26 0.99 135.00 135.01 1f4h s PRO 273 Ca 0.03 0.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.04 1f4h s PRO 273 Cb -0.01 -2.24 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1f4h s PRO 273 CO -0.10 -0.71 1.09 -0.06 0.04 0.00 0.00 177.00 177.26 1f4h s PHE 274 N -3.02 2.80 0.00 0.56 0.40 -1.26 -4.79 117.98 112.67 1f4h s PHE 274 Ca 0.54 1.26 0.00 0.00 -0.60 0.00 0.00 56.93 58.13 1f4h s PHE 274 Cb -0.11 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1f4h s PHE 274 CO 0.46 -1.74 0.00 0.41 0.70 0.00 0.00 175.22 175.05 1f4h n GLY 275 N -1.86 0.69 0.00 4.36 0.00 0.42 -4.90 105.19 103.90 1f4h n GLY 275 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 1.29 0.79 3.73 -0.02 0.00 -0.48 -4.84 105.19 105.66 1f4h n GLY 276 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 1.37 1.70 -0.03 1.61 8.01 -1.26 -4.71 118.70 125.39 1f4h s GLU 277 Ca 0.00 1.06 -0.30 0.00 0.01 0.00 0.00 54.97 55.74 1f4h s GLU 277 Cb 0.00 -1.84 -0.04 0.00 -4.31 0.00 0.00 34.13 27.94 1f4h s GLU 277 CO 0.00 -2.00 1.27 0.42 0.01 0.00 0.00 175.26 174.96 1f4h s ILE 278 N -2.89 4.06 -0.15 -1.63 1.09 -1.26 -4.14 121.20 116.28 1f4h s ILE 278 Ca 0.63 1.41 0.13 0.00 -1.10 0.00 0.00 60.65 61.72 1f4h s ILE 278 Cb -0.18 -3.91 -0.19 0.00 -1.06 0.00 0.00 42.46 37.12 1f4h s ILE 278 CO 0.57 0.01 0.05 2.30 -0.10 0.00 0.00 174.94 177.76 1f4h n ILE 279 N 4.59 1.06 -3.39 2.92 -5.35 0.39 -4.93 119.36 114.65 1f4h n ILE 279 Ca 0.12 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1f4h n ILE 279 Cb 0.45 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 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 -2.58 0.00 0.01 7.28 5.75 -1.00 -5.00 116.55 121.00 1f4h n ASP 280 Ca -0.25 -0.88 0.12 0.00 -0.01 0.00 0.00 54.79 53.77 1f4h n ASP 280 Cb 1.00 0.00 0.56 0.00 -1.03 0.00 0.00 41.12 41.65 1f4h n ASP 280 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1f4h h GLU 281 N 0.00 0.25 0.00 0.11 3.07 -2.04 -1.63 114.58 114.34 1f4h h GLU 281 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1f4h h GLU 281 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1f4h h GLU 281 CO 0.00 0.17 -0.09 0.54 -1.40 0.00 0.00 179.01 178.23 1f4h n ARG 282 N -4.46 0.06 0.00 2.33 5.12 -1.26 -5.03 116.66 113.42 1f4h n ARG 282 Ca 0.07 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1f4h n ARG 282 Cb 0.34 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 1f4h n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1f4h n GLY 283 N 1.46 0.28 0.05 -0.13 0.00 -0.62 -5.05 105.19 101.18 1f4h n GLY 283 Ca 0.06 -1.63 -0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 4.09 3.51 -0.02 0.00 -1.26 0.15 105.19 111.65 1f4h n GLY 284 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.61 3.22 -0.61 1.61 1.51 -1.26 -4.95 117.35 115.25 1f4h s TYR 285 Ca 0.00 -0.30 0.25 0.00 -1.01 0.00 0.00 57.07 56.01 1f4h s TYR 285 Cb 0.00 -2.63 0.56 0.00 -0.11 0.00 0.00 41.96 39.77 1f4h s TYR 285 CO 0.00 -0.50 1.60 0.00 -1.11 0.00 0.00 175.55 175.54 1f4h h ALA 286 N 8.57 0.88 -0.78 3.71 0.00 -1.93 -1.26 119.26 128.45 1f4h h ALA 286 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.27 1f4h h ALA 286 Cb 1.13 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.72 1f4h h ALA 286 CO 0.70 0.00 0.44 -0.40 0.00 0.00 0.00 179.25 180.00 1f4h n ASP 287 N -2.45 3.97 -4.05 0.00 5.68 -1.26 -2.45 116.55 115.98 1f4h n ASP 287 Ca 0.04 -3.25 -0.07 0.00 -0.50 0.00 0.00 54.79 51.01 1f4h n ASP 287 Cb 0.46 -0.76 -0.10 0.00 -1.14 0.00 0.00 41.12 39.58 1f4h n ASP 287 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1f4h s ARG 288 N -2.76 0.61 -0.15 0.11 0.52 -1.20 -2.12 118.95 113.96 1f4h s ARG 288 Ca 0.49 -1.13 -0.18 0.00 -0.52 0.00 0.00 55.73 54.38 1f4h s ARG 288 Cb 0.40 0.22 0.05 0.00 0.52 0.00 0.00 34.95 36.13 1f4h s ARG 288 CO 0.10 -0.12 0.49 0.54 0.02 0.00 0.00 175.30 176.33 1f4h s VAL 289 N -3.70 0.01 -0.08 3.52 0.11 -0.78 0.16 120.40 119.64 1f4h s VAL 289 Ca 0.05 -0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1f4h s VAL 289 Cb 0.06 -0.71 -0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1f4h s VAL 289 CO -0.09 -0.04 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.51 1f4h s THR 290 N -0.09 2.03 0.15 5.04 2.01 -1.26 -0.94 115.64 122.57 1f4h s THR 290 Ca -0.03 -1.02 0.09 0.00 0.31 0.00 0.00 61.69 61.03 1f4h s THR 290 Cb -0.03 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1f4h s THR 290 CO 0.02 0.56 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.63 1f4h s LEU 291 N 0.12 2.91 -0.16 4.42 1.02 0.55 -4.91 118.68 122.63 1f4h s LEU 291 Ca -0.12 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.50 1f4h s LEU 291 Cb -0.16 -1.66 0.03 0.00 0.02 0.00 0.00 46.19 44.42 1f4h s LEU 291 CO 0.06 0.14 -0.10 -0.13 0.02 0.00 0.00 176.35 176.34 1f4h s ARG 292 N -2.52 1.93 -0.18 1.70 0.52 -1.26 -0.06 118.95 119.08 1f4h s ARG 292 Ca 0.22 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 1f4h s ARG 292 Cb -0.10 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 1f4h s ARG 292 CO 0.14 -0.33 -0.02 -0.51 0.02 0.00 0.00 175.30 174.59 1f4h s LEU 293 N 1.53 3.25 -0.07 2.53 1.43 0.20 -4.92 118.68 122.62 1f4h s LEU 293 Ca 0.02 -0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 1f4h s LEU 293 Cb -0.14 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1f4h s LEU 293 CO -0.09 0.12 0.76 0.20 0.23 0.00 0.00 176.35 177.56 1f4h s ASN 294 N 0.67 7.04 -0.14 2.29 -0.87 -1.26 0.13 114.94 122.81 1f4h s ASN 294 Ca -0.01 1.26 0.01 0.00 -1.57 0.00 0.00 52.86 52.55 1f4h s ASN 294 Cb -0.14 -2.44 0.02 0.00 -0.02 0.00 0.00 41.25 38.67 1f4h s ASN 294 CO 0.02 -0.17 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.54 1f4h s VAL 295 N 0.97 1.64 0.11 1.60 1.01 -0.09 -4.92 120.40 120.72 1f4h s VAL 295 Ca 0.40 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 1f4h s VAL 295 Cb -0.18 -1.51 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 1f4h s VAL 295 CO 0.19 0.47 0.83 -1.61 0.00 0.00 0.00 175.10 174.98 1f4h s GLU 296 N 1.24 4.60 -0.38 2.72 0.41 -1.26 -2.23 118.70 123.80 1f4h s GLU 296 Ca -0.00 1.23 -0.23 0.00 -0.41 0.00 0.00 54.97 55.56 1f4h s GLU 296 Cb -0.14 -3.33 0.03 0.00 -1.78 0.00 0.00 34.13 28.92 1f4h s GLU 296 CO -0.07 0.37 0.47 0.09 -0.49 0.00 0.00 175.26 175.63 1f4h n ASN 297 N 2.33 -3.79 -4.82 -0.19 3.02 0.14 -4.87 115.26 107.08 1f4h n ASN 297 Ca -0.02 -0.24 -0.34 0.00 -0.03 0.00 0.00 54.58 53.95 1f4h n ASN 297 Cb 0.49 -1.13 -0.07 0.00 -0.61 0.00 0.00 39.78 38.46 1f4h n ASN 297 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1f4h s PRO 298 N -2.23 4.21 -0.28 3.52 0.05 -1.26 -5.01 135.00 134.00 1f4h s PRO 298 Ca 0.22 0.98 -0.24 0.00 0.05 0.00 0.00 61.00 62.01 1f4h s PRO 298 Cb -0.02 -2.43 -0.00 0.00 0.05 0.00 0.00 34.50 32.09 1f4h s PRO 298 CO 0.63 0.12 0.82 0.15 0.05 0.00 0.00 177.00 178.78 1f4h s LYS 299 N -2.81 4.07 0.19 4.56 1.02 -1.26 -4.99 119.74 120.51 1f4h s LYS 299 Ca 0.56 0.78 -0.21 0.00 0.02 0.00 0.00 55.97 57.12 1f4h s LYS 299 Cb -0.12 -3.69 -0.08 0.00 -0.52 0.00 0.00 37.83 33.42 1f4h s LYS 299 CO 0.17 -0.62 0.71 -0.51 -0.92 0.00 0.00 175.35 174.18 1f4h s LEU 300 N 2.95 4.42 -0.12 3.17 1.43 -1.26 -4.13 118.68 125.15 1f4h s LEU 300 Ca 0.34 1.44 -0.18 0.00 -1.03 0.00 0.00 54.13 54.70 1f4h s LEU 300 Cb -0.14 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1f4h s LEU 300 CO 0.10 0.10 0.46 0.86 0.23 0.00 0.00 176.35 178.11 1f4h s TRP 301 N -1.39 3.52 0.29 0.29 -0.00 0.00 -3.27 118.94 118.38 1f4h s TRP 301 Ca 0.39 0.87 -0.15 0.00 -0.00 0.00 0.00 56.10 57.22 1f4h s TRP 301 Cb -0.18 -2.52 0.02 0.00 -0.00 0.00 0.00 33.47 30.78 1f4h s TRP 301 CO 0.22 0.20 0.61 -1.54 -0.00 0.00 0.00 176.95 176.44 1f4h s SER 302 N 0.53 -0.02 0.00 5.86 1.04 -0.58 -4.68 113.70 115.85 1f4h s SER 302 Ca 0.25 -0.93 0.24 0.00 0.48 0.00 0.00 55.95 56.00 1f4h s SER 302 Cb -0.15 0.69 1.44 0.00 0.10 0.00 0.00 66.02 68.10 1f4h s SER 302 CO 0.10 -1.33 1.89 0.00 0.98 0.00 0.00 173.24 174.89 1f4h n ALA 303 N -0.46 2.59 -0.10 5.32 0.00 -1.26 -1.50 120.51 125.11 1f4h n ALA 303 Ca -0.03 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 1f4h n ALA 303 Cb 0.61 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 1f4h n ALA 303 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1f4h n GLU 304 N -0.90 0.78 -3.28 0.00 1.02 -1.26 -4.76 120.64 112.24 1f4h n GLU 304 Ca 0.18 0.03 -0.07 0.00 -0.02 0.00 0.00 57.16 57.28 1f4h n GLU 304 Cb 0.08 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 1f4h n GLU 304 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1f4h s ILE 305 N -2.48 -0.69 -1.25 -3.67 1.01 -1.14 -4.96 121.20 108.02 1f4h s ILE 305 Ca -0.16 -0.45 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 1f4h s ILE 305 Cb 0.06 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.18 1f4h s ILE 305 CO 0.74 -0.27 1.84 -0.81 0.00 0.00 0.00 174.94 176.44 1f4h n PRO 306 N 4.40 2.51 -2.51 2.79 -0.04 -0.56 -1.53 135.00 140.06 1f4h n PRO 306 Ca 0.11 -2.90 -0.43 0.00 -0.04 0.00 0.00 63.50 60.24 1f4h n PRO 306 Cb 0.51 -3.57 -0.02 0.00 -0.04 0.00 0.00 33.50 30.39 1f4h n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1f4h s ASN 307 N 5.08 6.59 0.18 3.54 0.01 -1.20 -4.90 114.94 124.23 1f4h s ASN 307 Ca 0.59 0.71 0.05 0.00 -0.71 0.00 0.00 52.86 53.50 1f4h s ASN 307 Cb 0.03 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1f4h s ASN 307 CO 0.10 -1.25 0.22 -0.76 -1.51 0.00 0.00 177.10 173.90 1f4h s LEU 308 N 4.64 4.03 0.19 0.60 1.43 -1.26 -3.89 118.68 124.42 1f4h s LEU 308 Ca 0.52 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.63 1f4h s LEU 308 Cb -0.10 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 1f4h s LEU 308 CO 0.29 0.03 -0.04 -0.31 0.23 0.00 0.00 176.35 176.56 1f4h s TYR 309 N -1.83 1.40 0.08 0.29 1.51 0.25 -4.86 117.35 114.19 1f4h s TYR 309 Ca 0.33 -0.88 0.09 0.00 -1.01 0.00 0.00 57.07 55.60 1f4h s TYR 309 Cb -0.10 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1f4h s TYR 309 CO 0.26 -0.02 -0.24 0.50 -1.11 0.00 0.00 175.55 174.93 1f4h s ARG 310 N -3.83 1.73 -0.04 -0.62 3.52 0.19 -1.27 118.95 118.63 1f4h s ARG 310 Ca 0.24 -1.17 0.06 0.00 -0.13 0.00 0.00 55.73 54.73 1f4h s ARG 310 Cb 0.05 -2.00 -0.01 0.00 -1.56 0.00 0.00 34.95 31.42 1f4h s ARG 310 CO 0.05 0.50 -0.23 0.00 -0.81 0.00 0.00 175.30 174.81 1f4h s ALA 311 N -0.93 1.95 0.02 6.12 0.00 0.11 -0.06 121.76 128.97 1f4h s ALA 311 Ca 0.13 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1f4h s ALA 311 Cb -0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1f4h s ALA 311 CO 0.04 0.43 -0.22 0.08 0.00 0.00 0.00 175.76 176.09 1f4h s VAL 312 N -0.33 1.72 -0.20 0.00 1.01 -0.64 -1.94 120.40 120.02 1f4h s VAL 312 Ca 0.03 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1f4h s VAL 312 Cb -0.11 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1f4h s VAL 312 CO 0.01 0.33 -0.08 -0.69 0.00 0.00 0.00 175.10 174.68 1f4h s VAL 313 N -0.68 1.52 -0.11 2.92 1.01 -0.60 -0.23 120.40 124.24 1f4h s VAL 313 Ca 0.08 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1f4h s VAL 313 Cb -0.09 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1f4h s VAL 313 CO 0.01 0.08 -0.14 -1.61 0.00 0.00 0.00 175.10 173.43 1f4h s GLU 314 N 1.43 3.22 -0.58 2.72 2.02 0.56 -2.74 118.70 125.34 1f4h s GLU 314 Ca -0.02 -0.70 -0.22 0.00 0.02 0.00 0.00 54.97 54.04 1f4h s GLU 314 Cb -0.17 -2.56 0.06 0.00 0.10 0.00 0.00 34.13 31.55 1f4h s GLU 314 CO -0.07 0.28 0.87 -1.17 0.02 0.00 0.00 175.26 175.18 1f4h s LEU 315 N 0.17 4.42 0.00 1.80 2.96 -0.59 -0.41 118.68 127.04 1f4h s LEU 315 Ca -0.08 -0.71 0.05 0.00 -0.22 0.00 0.00 54.13 53.17 1f4h s LEU 315 Cb -0.15 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1f4h s LEU 315 CO 0.05 -1.22 0.17 0.00 -1.32 0.00 0.00 176.35 174.03 1f4h n HIS 316 N 7.21 -0.36 -4.22 5.38 1.44 -0.24 0.24 115.22 124.67 1f4h n HIS 316 Ca -0.02 -1.93 -0.23 0.00 -2.01 0.00 0.00 57.72 53.53 1f4h n HIS 316 Cb 0.46 0.14 -0.06 0.00 0.12 0.00 0.00 29.99 30.65 1f4h n HIS 316 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1f4h s THR 317 N -2.85 3.75 0.64 0.61 -4.23 0.26 -0.94 115.64 112.87 1f4h s THR 317 Ca 0.24 -1.74 0.23 0.00 -1.18 0.00 0.00 61.69 59.24 1f4h s THR 317 Cb 0.01 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 71.10 1f4h s THR 317 CO 0.17 -0.36 1.65 0.00 -0.54 0.00 0.00 174.62 175.54 1f4h h ALA 318 N 1.74 1.91 -0.87 3.99 0.00 0.36 -1.59 119.26 124.80 1f4h h ALA 318 Ca -0.46 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 53.98 1f4h h ALA 318 Cb 1.25 0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.78 1f4h h ALA 318 CO 0.61 -0.76 0.52 -0.40 0.00 0.00 0.00 179.25 179.21 1f4h n ASP 319 N -3.09 3.69 0.00 0.00 5.68 -1.26 -4.89 116.55 116.69 1f4h n ASP 319 Ca 0.05 -3.66 0.00 0.00 -0.50 0.00 0.00 54.79 50.68 1f4h n ASP 319 Cb 0.73 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 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 -1.13 2.77 3.69 6.12 0.00 -0.60 -5.00 105.19 111.03 1f4h n GLY 320 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.05 3.61 -0.40 2.61 2.01 -1.24 -4.74 115.64 115.43 1f4h s THR 321 Ca 0.00 0.99 -0.24 0.00 0.31 0.00 0.00 61.69 62.75 1f4h s THR 321 Cb 0.00 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1f4h s THR 321 CO 0.00 -0.01 0.82 -0.22 -0.69 0.00 0.00 174.62 174.53 1f4h s LEU 322 N 2.51 4.12 -0.04 4.42 0.20 -1.26 0.93 118.68 129.55 1f4h s LEU 322 Ca 0.66 0.26 -0.25 0.00 0.69 0.00 0.00 54.13 55.49 1f4h s LEU 322 Cb -0.33 -3.07 -0.19 0.00 -0.43 0.00 0.00 46.19 42.17 1f4h s LEU 322 CO 0.27 -0.83 1.14 0.40 -0.29 0.00 0.00 176.35 177.04 1f4h h ILE 323 N 5.85 1.24 -1.95 6.68 5.03 -0.53 -3.48 117.51 130.35 1f4h h ILE 323 Ca -0.24 -1.19 0.22 0.00 -0.12 0.00 0.00 64.86 63.52 1f4h h ILE 323 Cb 1.09 2.00 -0.12 0.00 -3.03 0.00 0.00 36.82 36.76 1f4h h ILE 323 CO 0.95 0.29 0.63 -1.83 -0.68 0.00 0.00 178.15 177.51 1f4h s GLU 324 N -3.95 0.77 0.01 2.37 -1.05 -1.04 -4.92 118.70 110.89 1f4h s GLU 324 Ca -0.15 -0.39 -0.00 0.00 -0.15 0.00 0.00 54.97 54.28 1f4h s GLU 324 Cb 0.01 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.97 1f4h s GLU 324 CO 0.62 -0.35 -0.02 0.00 0.95 0.00 0.00 175.26 176.46 1f4h s ALA 325 N -2.89 0.08 0.07 -0.84 0.00 -1.04 -1.54 121.76 115.60 1f4h s ALA 325 Ca 0.11 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1f4h s ALA 325 Cb 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1f4h s ALA 325 CO -0.03 -0.11 -0.07 -1.21 0.00 0.00 0.00 175.76 174.35 1f4h s GLU 326 N -0.98 0.69 0.31 0.00 0.41 -1.11 -1.64 118.70 116.39 1f4h s GLU 326 Ca -0.11 -1.09 -0.12 0.00 -0.41 0.00 0.00 54.97 53.24 1f4h s GLU 326 Cb -0.07 -0.21 0.02 0.00 -1.78 0.00 0.00 34.13 32.09 1f4h s GLU 326 CO -0.01 0.00 0.60 0.00 -0.49 0.00 0.00 175.26 175.37 1f4h s ALA 327 N -2.72 -0.28 0.16 5.21 0.00 -1.26 -1.55 121.76 121.32 1f4h s ALA 327 Ca 0.02 -0.91 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 1f4h s ALA 327 Cb -0.01 0.95 0.06 0.00 0.00 0.00 0.00 23.12 24.12 1f4h s ALA 327 CO -0.03 -0.90 0.78 0.00 0.00 0.00 0.00 175.76 175.61 1f4h s ASP 329 N -2.80 6.72 -0.03 0.00 1.01 -1.26 0.08 116.67 120.39 1f4h s ASP 329 Ca 0.08 0.87 -0.03 0.00 0.71 0.00 0.00 52.55 54.17 1f4h s ASP 329 Cb -0.03 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1f4h s ASP 329 CO -0.02 -0.16 0.15 0.54 0.21 0.00 0.00 175.17 175.88 1f4h s VAL 330 N 1.34 5.28 -0.14 -1.27 0.11 -0.39 -4.75 120.40 120.58 1f4h s VAL 330 Ca 0.29 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 1f4h s VAL 330 Cb -0.16 -3.42 0.04 0.00 -1.53 0.00 0.00 36.38 31.31 1f4h s VAL 330 CO 0.12 0.40 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.41 1f4h s GLY 331 N -1.68 0.84 -0.04 6.54 0.00 -1.26 -0.59 107.32 111.13 1f4h s GLY 331 Ca 0.23 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.00 1f4h s GLY 331 CO 0.14 0.97 1.32 -1.36 0.00 0.00 0.00 173.10 174.17 1f4h s PHE 332 N 1.71 2.94 -0.08 1.90 0.40 -1.26 -4.75 117.98 118.85 1f4h s PHE 332 Ca 0.02 0.96 -0.31 0.00 -0.60 0.00 0.00 56.93 57.00 1f4h s PHE 332 Cb -0.14 -3.57 0.12 0.00 0.51 0.00 0.00 43.02 39.94 1f4h s PHE 332 CO -0.08 -2.01 0.99 -0.98 0.70 0.00 0.00 175.22 173.85 1f4h s ARG 333 N 2.52 0.64 -0.08 0.44 1.04 -1.26 -0.82 118.95 121.44 1f4h s ARG 333 Ca 0.60 -0.18 0.04 0.00 -1.04 0.00 0.00 55.73 55.15 1f4h s ARG 333 Cb -0.28 0.30 0.00 0.00 -2.04 0.00 0.00 34.95 32.93 1f4h s ARG 333 CO 0.24 -0.27 -0.20 -2.00 -0.04 0.00 0.00 175.30 173.03 1f4h s GLU 334 N -2.61 2.45 -0.24 3.89 2.12 -1.26 -4.92 118.70 118.12 1f4h s GLU 334 Ca 0.05 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 1f4h s GLU 334 Cb -0.01 -1.93 0.03 0.00 0.26 0.00 0.00 34.13 32.48 1f4h s GLU 334 CO -0.06 0.16 -0.08 0.08 -0.54 0.00 0.00 175.26 174.82 1f4h s VAL 335 N 0.35 2.71 -0.02 3.70 1.01 -1.26 0.83 120.40 127.73 1f4h s VAL 335 Ca -0.14 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 1f4h s VAL 335 Cb -0.16 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1f4h s VAL 335 CO 0.06 0.19 0.07 -0.13 0.00 0.00 0.00 175.10 175.30 1f4h s ARG 336 N 1.29 0.18 -0.15 2.72 0.52 -0.58 -4.69 118.95 118.24 1f4h s ARG 336 Ca -0.01 -0.07 -0.17 0.00 -0.52 0.00 0.00 55.73 54.96 1f4h s ARG 336 Cb -0.17 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.34 1f4h s ARG 336 CO -0.05 -0.03 0.45 0.42 0.02 0.00 0.00 175.30 176.11 1f4h s ILE 337 N -0.38 5.19 -0.12 1.52 1.01 -1.26 -0.51 121.20 126.65 1f4h s ILE 337 Ca -0.04 0.87 -0.04 0.00 0.00 0.00 0.00 60.65 61.43 1f4h s ILE 337 Cb -0.03 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.72 1f4h s ILE 337 CO 0.00 0.29 0.22 -0.70 0.00 0.00 0.00 174.94 174.75 1f4h s GLU 338 N 0.91 0.11 -1.39 2.79 2.56 0.28 -4.85 118.70 119.11 1f4h s GLU 338 Ca 0.23 0.59 0.00 0.00 0.00 0.00 0.00 54.97 55.79 1f4h s GLU 338 Cb -0.15 -0.32 0.00 0.00 2.00 0.00 0.00 34.13 35.66 1f4h s GLU 338 CO 0.09 -0.36 0.00 -1.71 -0.56 0.00 0.00 175.26 172.72 1f4h n ASN 339 N 5.34 -4.66 0.00 -1.70 5.15 -1.26 -2.48 115.26 115.65 1f4h n ASN 339 Ca -0.05 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1f4h n ASN 339 Cb 0.50 -3.71 0.00 0.00 -0.53 0.00 0.00 39.78 36.03 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 -1.04 0.75 3.29 8.20 0.00 -1.26 -5.05 105.19 110.08 1f4h n GLY 340 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 2.17 -0.22 0.99 1.43 -1.04 -2.80 118.68 119.22 1f4h s LEU 341 Ca 0.00 -0.56 -0.21 0.00 -1.03 0.00 0.00 54.13 52.33 1f4h s LEU 341 Cb 0.00 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 1f4h s LEU 341 CO 0.00 0.20 0.63 -0.22 0.23 0.00 0.00 176.35 177.19 1f4h s LEU 342 N -1.24 4.12 0.03 1.79 2.96 -1.26 0.10 118.68 125.18 1f4h s LEU 342 Ca 0.09 0.79 0.09 0.00 -0.22 0.00 0.00 54.13 54.88 1f4h s LEU 342 Cb -0.09 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 1f4h s LEU 342 CO 0.02 -0.30 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.74 1f4h s LEU 343 N 2.09 2.14 -0.13 -0.68 1.43 0.34 -2.35 118.68 121.51 1f4h s LEU 343 Ca 0.28 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1f4h s LEU 343 Cb -0.16 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.86 1f4h s LEU 343 CO 0.10 0.25 -0.15 -0.22 0.23 0.00 0.00 176.35 176.56 1f4h s LEU 344 N -1.07 1.74 -1.38 1.79 2.96 0.29 -1.53 118.68 121.48 1f4h s LEU 344 Ca 0.10 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1f4h s LEU 344 Cb -0.10 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.45 1f4h s LEU 344 CO 0.01 -0.02 0.71 0.59 -1.32 0.00 0.00 176.35 176.33 1f4h n ASN 345 N 4.48 -1.81 0.00 3.68 3.02 0.24 -0.06 115.26 124.82 1f4h n ASN 345 Ca -0.18 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1f4h n ASN 345 Cb 0.51 -3.82 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 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 -1.67 2.51 3.50 7.41 0.00 -1.26 -4.98 105.19 110.71 1f4h n GLY 346 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.01 1.84 -0.28 1.61 1.02 0.92 -5.01 119.74 119.82 1f4h s LYS 347 Ca 0.00 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.55 1f4h s LYS 347 Cb 0.00 -2.14 0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1f4h s LYS 347 CO 0.00 0.49 1.03 -1.25 -0.92 0.00 0.00 175.35 174.69 1f4h s PRO 348 N -2.14 4.13 0.54 -1.68 0.04 -1.26 0.10 135.00 134.74 1f4h s PRO 348 Ca 0.18 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.15 1f4h s PRO 348 Cb -0.11 -3.70 -0.06 0.00 0.04 0.00 0.00 34.50 30.68 1f4h s PRO 348 CO 0.11 -0.77 1.15 -0.51 0.04 0.00 0.00 177.00 177.02 1f4h s LEU 349 N 3.40 3.76 -0.19 -3.56 1.43 -0.99 -4.94 118.68 117.60 1f4h s LEU 349 Ca 0.43 2.25 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 1f4h s LEU 349 Cb -0.13 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.58 1f4h s LEU 349 CO 0.12 -1.27 -0.14 -0.22 0.23 0.00 0.00 176.35 175.06 1f4h s LEU 350 N -3.76 2.22 -0.59 1.79 2.96 -1.26 -4.69 118.68 115.35 1f4h s LEU 350 Ca 0.73 -0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 53.69 1f4h s LEU 350 Cb -0.26 -1.34 0.12 0.00 0.50 0.00 0.00 46.19 45.21 1f4h s LEU 350 CO 0.29 -0.08 0.66 -0.63 -1.32 0.00 0.00 176.35 175.27 1f4h s ILE 351 N 1.35 4.96 -0.81 6.68 -1.09 -0.47 -4.96 121.20 126.86 1f4h s ILE 351 Ca 0.01 -1.21 -0.19 0.00 -2.23 0.00 0.00 60.65 57.04 1f4h s ILE 351 Cb -0.15 -4.45 0.13 0.00 -1.58 0.00 0.00 42.46 36.41 1f4h s ILE 351 CO -0.10 -1.06 0.97 -0.13 -1.23 0.00 0.00 174.94 173.39 1f4h s ARG 352 N 2.28 3.43 0.43 2.79 0.52 -1.26 -2.15 118.95 124.98 1f4h s ARG 352 Ca 0.10 -1.66 0.04 0.00 -0.52 0.00 0.00 55.73 53.68 1f4h s ARG 352 Cb -0.25 -4.62 -0.04 0.00 0.52 0.00 0.00 34.95 30.56 1f4h s ARG 352 CO 0.04 -1.66 0.04 0.20 0.02 0.00 0.00 175.30 173.95 1f4h s GLY 353 N 3.41 2.62 -0.03 -3.53 0.00 -0.18 -1.47 107.32 108.14 1f4h s GLY 353 Ca 0.25 -1.36 -0.10 0.00 0.00 0.00 0.00 44.72 43.51 1f4h s GLY 353 CO -0.04 -2.02 0.22 0.54 0.00 0.00 0.00 173.10 171.81 1f4h s VAL 354 N -3.00 0.05 -0.24 1.40 0.11 -0.75 -0.83 120.40 117.15 1f4h s VAL 354 Ca 0.23 -0.40 -0.22 0.00 -2.93 0.00 0.00 61.98 58.66 1f4h s VAL 354 Cb 0.05 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1f4h s VAL 354 CO 0.12 -0.22 0.70 0.20 -3.33 0.00 0.00 175.10 172.57 1f4h s ASN 355 N -0.87 6.69 -0.08 3.54 0.01 0.18 -1.77 114.94 122.65 1f4h s ASN 355 Ca -0.10 0.85 0.04 0.00 -0.71 0.00 0.00 52.86 52.94 1f4h s ASN 355 Cb -0.05 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 1f4h s ASN 355 CO 0.02 -0.41 -0.19 -0.60 -1.51 0.00 0.00 177.10 174.41 1f4h s ARG 356 N 2.52 2.81 0.14 -0.60 3.52 -0.78 -1.39 118.95 125.17 1f4h s ARG 356 Ca 0.30 -0.79 -0.02 0.00 -0.13 0.00 0.00 55.73 55.09 1f4h s ARG 356 Cb -0.15 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.84 1f4h s ARG 356 CO 0.08 0.38 0.33 -1.01 -0.81 0.00 0.00 175.30 174.27 1f4h s HIS 357 N -0.12 3.49 -0.82 5.12 3.76 -1.26 -3.07 115.29 122.38 1f4h s HIS 357 Ca -0.03 0.37 -0.21 0.00 -0.15 0.00 0.00 55.06 55.04 1f4h s HIS 357 Cb -0.14 -1.86 0.10 0.00 1.11 0.00 0.00 32.58 31.78 1f4h s HIS 357 CO 0.04 0.47 1.09 -1.21 -0.85 0.00 0.00 174.74 174.27 1f4h s GLU 358 N -2.87 3.38 -0.02 1.40 2.02 -1.26 -4.96 118.70 116.39 1f4h s GLU 358 Ca 0.38 -1.29 0.01 0.00 0.02 0.00 0.00 54.97 54.10 1f4h s GLU 358 Cb -0.12 -4.65 0.01 0.00 0.10 0.00 0.00 34.13 29.47 1f4h s GLU 358 CO 0.27 -1.84 -0.04 -1.58 0.02 0.00 0.00 175.26 172.10 1f4h s HIS 359 N 3.53 0.46 -0.11 1.61 2.46 -1.26 -4.51 115.29 117.48 1f4h s HIS 359 Ca 0.29 -0.09 -0.03 0.00 0.47 0.00 0.00 55.06 55.71 1f4h s HIS 359 Cb -0.10 -0.38 0.04 0.00 -0.13 0.00 0.00 32.58 32.01 1f4h s HIS 359 CO -0.01 -0.07 0.06 -1.58 -2.47 0.00 0.00 174.74 170.67 1f4h s HIS 360 N 0.35 0.33 -0.20 3.88 5.04 -0.44 -5.03 115.29 119.22 1f4h s HIS 360 Ca -0.04 -0.14 0.17 0.00 -1.54 0.00 0.00 55.06 53.52 1f4h s HIS 360 Cb -0.07 -0.67 0.95 0.00 0.04 0.00 0.00 32.58 32.82 1f4h s HIS 360 CO -0.00 -0.37 1.50 -0.35 -2.34 0.00 0.00 174.74 173.18 1f4h n PRO 361 N 5.23 0.11 -0.06 2.88 -0.04 -1.26 -0.67 135.00 141.20 1f4h n PRO 361 Ca -0.06 0.60 -0.08 0.00 -0.04 0.00 0.00 63.50 63.93 1f4h n PRO 361 Cb 0.49 -1.96 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 1f4h n PRO 361 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1f4h n LEU 362 N -2.13 2.21 -0.95 1.53 4.77 -1.26 -0.28 117.00 120.88 1f4h n LEU 362 Ca -0.01 -0.05 0.08 0.00 -0.03 0.00 0.00 56.01 55.99 1f4h n LEU 362 Cb 0.12 -0.26 0.24 0.00 -2.33 0.00 0.00 43.42 41.18 1f4h n LEU 362 CO 0.08 0.59 0.70 1.41 -1.33 0.00 0.00 177.39 178.84 1f4h n HIS 363 N -2.73 0.86 -0.38 -1.77 8.25 -1.03 -4.99 115.22 113.42 1f4h n HIS 363 Ca -0.21 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.61 1f4h n HIS 363 Cb 0.76 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.70 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 0.36 3.52 1.50 -1.41 0.00 0.15 -2.38 105.19 106.94 1f4h n GLY 364 Ca 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 14.00 3.36 -3.23 1.61 6.02 -1.26 -1.33 117.38 136.55 1f4h n GLN 365 Ca 0.00 -2.11 -0.39 0.00 -0.01 0.00 0.00 57.00 54.49 1f4h n GLN 365 Cb 0.00 -1.99 -0.06 0.00 1.02 0.00 0.00 30.24 29.21 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 -2.19 4.70 0.05 5.09 1.01 -1.00 -4.82 120.40 123.23 1f4h s VAL 366 Ca 0.37 1.29 0.09 0.00 0.00 0.00 0.00 61.98 63.73 1f4h s VAL 366 Cb 0.29 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1f4h s VAL 366 CO 0.10 0.54 -0.25 -0.04 0.00 0.00 0.00 175.10 175.46 1f4h s MET 367 N -1.07 1.82 0.17 2.72 -1.94 -1.26 -4.64 119.30 115.09 1f4h s MET 367 Ca 0.30 -1.11 0.05 0.00 -1.71 0.00 0.00 55.69 53.22 1f4h s MET 367 Cb -0.20 -2.01 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 1f4h s MET 367 CO 0.20 0.51 -0.10 0.16 -0.01 0.00 0.00 175.02 175.78 1f4h s ASP 368 N -1.35 1.94 0.19 3.03 1.47 -1.26 -5.04 116.67 115.65 1f4h s ASP 368 Ca 0.12 -1.03 -0.12 0.00 1.18 0.00 0.00 52.55 52.70 1f4h s ASP 368 Cb -0.10 -0.03 0.20 0.00 -0.34 0.00 0.00 42.92 42.65 1f4h s ASP 368 CO 0.03 -0.32 1.75 -0.08 0.68 0.00 0.00 175.17 177.23 1f4h h GLU 369 N 2.71 0.37 -0.22 2.11 4.81 -2.01 -0.66 114.58 121.70 1f4h h GLU 369 Ca -0.37 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1f4h h GLU 369 Cb 1.20 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 1f4h h GLU 369 CO 0.63 0.24 -0.42 1.96 -0.73 0.00 0.00 179.01 180.69 1f4h h GLN 370 N 0.38 -0.42 -0.81 1.92 1.08 -1.98 0.30 115.11 115.57 1f4h h GLN 370 Ca 0.26 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.52 1f4h h GLN 370 Cb 0.28 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.76 1f4h h GLN 370 CO -0.26 -0.28 0.53 1.15 -0.95 0.00 0.00 178.83 179.02 1f4h h THR 371 N -0.44 1.12 0.92 -0.54 2.02 -1.79 0.32 112.91 114.52 1f4h h THR 371 Ca 0.09 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 1f4h h THR 371 Cb 0.61 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1f4h h THR 371 CO -0.45 0.18 -0.49 0.24 0.37 0.00 0.00 175.52 175.37 1f4h h MET 372 N 0.99 -1.25 -0.67 6.66 2.86 0.45 -2.72 114.93 121.26 1f4h h MET 372 Ca 0.32 0.08 0.15 0.00 -2.06 0.00 0.00 59.70 58.20 1f4h h MET 372 Cb 0.05 0.28 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1f4h h MET 372 CO -0.10 -0.83 0.46 0.28 1.06 0.00 0.00 176.91 177.78 1f4h h VAL 373 N -1.29 0.77 0.20 -2.22 2.07 0.03 0.13 116.25 115.94 1f4h h VAL 373 Ca -0.12 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1f4h h VAL 373 Cb 1.01 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1f4h h VAL 373 CO 0.17 0.05 -0.09 -0.61 0.02 0.00 0.00 177.57 177.10 1f4h h GLN 374 N 0.25 -0.25 -0.35 1.57 4.15 -0.18 -2.64 115.11 117.65 1f4h h GLN 374 Ca 0.32 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.83 1f4h h GLN 374 Cb 0.92 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.60 1f4h h GLN 374 CO -0.07 0.00 -0.04 -0.44 -1.93 0.00 0.00 178.83 176.36 1f4h h ASP 375 N -0.49 -0.22 -0.41 -0.69 3.32 -0.91 -1.06 116.42 115.96 1f4h h ASP 375 Ca -0.03 0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.20 1f4h h ASP 375 Cb 0.37 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.02 1f4h h ASP 375 CO 0.04 -0.07 -0.15 0.40 -1.72 0.00 0.00 179.24 177.75 1f4h h ILE 376 N 0.06 0.50 -0.49 0.35 2.04 -0.77 0.49 117.51 119.68 1f4h h ILE 376 Ca 0.17 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.08 1f4h h ILE 376 Cb 0.25 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1f4h h ILE 376 CO -0.32 0.00 0.23 -0.07 0.00 0.00 0.00 178.15 177.99 1f4h h LEU 377 N -0.06 0.30 -0.72 1.44 3.38 -0.88 -1.39 115.31 117.38 1f4h h LEU 377 Ca 0.20 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1f4h h LEU 377 Cb 0.36 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1f4h h LEU 377 CO -0.45 0.21 0.46 -0.07 0.09 0.00 0.00 178.44 178.68 1f4h h LEU 378 N 0.45 0.85 -0.27 1.67 4.07 0.00 -0.08 115.31 121.99 1f4h h LEU 378 Ca 0.22 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.20 1f4h h LEU 378 Cb 0.17 -0.21 -0.08 0.00 1.08 0.00 0.00 40.66 41.62 1f4h h LEU 378 CO -0.18 0.63 -0.45 0.24 -1.08 0.00 0.00 178.44 177.61 1f4h h MET 379 N 0.98 -0.41 -0.49 1.13 2.86 -0.29 -0.42 114.93 118.29 1f4h h MET 379 Ca 0.26 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.89 1f4h h MET 379 Cb -0.08 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1f4h h MET 379 CO -0.05 -0.27 0.15 0.87 1.06 0.00 0.00 176.91 178.66 1f4h h LYS 380 N -0.42 0.77 -0.15 1.72 1.57 -0.65 -2.45 116.57 116.96 1f4h h LYS 380 Ca 0.10 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1f4h h LYS 380 Cb 0.61 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1f4h h LYS 380 CO -0.49 0.72 0.11 1.96 -0.57 0.00 0.00 179.45 181.18 1f4h h GLN 381 N 0.66 0.00 -0.28 3.15 4.20 -0.58 0.66 115.11 122.92 1f4h h GLN 381 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1f4h h GLN 381 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1f4h h GLN 381 CO -0.00 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.25 1f4h n ASN 382 N -4.40 2.19 0.00 1.46 3.02 -0.21 -4.94 115.26 112.38 1f4h n ASN 382 Ca 0.01 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1f4h n ASN 382 Cb 0.24 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.67 -0.95 -4.81 6.41 3.02 0.22 -3.72 115.26 116.11 1f4h n ASN 383 Ca 0.16 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.37 1f4h n ASN 383 Cb 0.39 -0.32 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 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 -2.00 3.37 -0.16 3.10 0.40 -0.96 -4.80 117.98 116.94 1f4h s PHE 384 Ca 0.00 0.29 0.12 0.00 -0.60 0.00 0.00 56.93 56.74 1f4h s PHE 384 Cb 0.00 -1.79 -0.18 0.00 0.51 0.00 0.00 43.02 41.55 1f4h s PHE 384 CO 0.00 0.59 0.03 0.09 0.70 0.00 0.00 175.22 176.63 1f4h n ASN 385 N 1.40 1.37 -4.10 1.36 5.03 -0.54 -4.47 115.26 115.31 1f4h n ASN 385 Ca -0.15 -0.01 -0.11 0.00 0.87 0.00 0.00 54.58 55.19 1f4h n ASN 385 Cb 0.53 0.74 -0.11 0.00 -1.02 0.00 0.00 39.78 39.93 1f4h n ASN 385 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1f4h s ALA 386 N -2.37 0.67 -0.05 5.41 0.00 -1.10 0.42 121.76 124.73 1f4h s ALA 386 Ca -0.10 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1f4h s ALA 386 Cb 0.05 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1f4h s ALA 386 CO 0.61 -0.18 -0.13 0.54 0.00 0.00 0.00 175.76 176.60 1f4h s VAL 387 N -2.69 1.13 -0.27 0.00 0.11 0.41 -1.80 120.40 117.29 1f4h s VAL 387 Ca 0.01 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1f4h s VAL 387 Cb -0.01 -1.01 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1f4h s VAL 387 CO -0.04 0.34 0.01 -0.60 -3.33 0.00 0.00 175.10 171.49 1f4h s ARG 388 N 0.36 2.90 -0.55 1.54 3.52 -0.73 -0.94 118.95 125.06 1f4h s ARG 388 Ca -0.09 -0.96 -0.19 0.00 -0.13 0.00 0.00 55.73 54.37 1f4h s ARG 388 Cb -0.13 -3.17 -0.18 0.00 -1.56 0.00 0.00 34.95 29.91 1f4h s ARG 388 CO 0.02 -0.44 1.79 0.00 -0.81 0.00 0.00 175.30 175.87 1f4h s SER 390 N 5.18 6.51 -0.39 0.00 1.04 -1.18 -1.56 113.70 123.31 1f4h s SER 390 Ca 0.52 1.14 0.11 0.00 0.48 0.00 0.00 55.95 58.20 1f4h s SER 390 Cb 0.13 -2.54 0.35 0.00 0.10 0.00 0.00 66.02 64.06 1f4h s SER 390 CO 0.13 -1.23 0.85 1.41 0.98 0.00 0.00 173.24 175.38 1f4h n HIS 391 N 8.18 -0.51 -3.57 5.02 -0.00 -1.26 -4.31 115.22 118.77 1f4h n HIS 391 Ca 0.16 -3.32 -0.06 0.00 -0.00 0.00 0.00 57.72 54.50 1f4h n HIS 391 Cb 0.47 0.10 -0.02 0.00 -0.00 0.00 0.00 29.99 30.54 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 -1.80 -0.21 0.80 4.41 -0.85 -0.60 -4.04 117.35 115.06 1f4h s TYR 392 Ca 0.35 0.15 -0.14 0.00 -0.52 0.00 0.00 57.07 56.90 1f4h s TYR 392 Cb 0.34 0.52 0.02 0.00 0.38 0.00 0.00 41.96 43.22 1f4h s TYR 392 CO -0.07 -0.31 0.73 -2.30 -1.52 0.00 0.00 175.55 172.09 1f4h n PRO 393 N -0.06 0.15 -4.24 -3.49 -0.02 -0.80 -4.60 135.00 121.93 1f4h n PRO 393 Ca -0.03 0.11 -0.26 0.00 -2.02 0.00 0.00 63.50 61.29 1f4h n PRO 393 Cb 0.59 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 1f4h n PRO 393 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1f4h s ASN 394 N -1.80 4.35 0.10 2.55 0.02 -1.26 -4.92 114.94 113.98 1f4h s ASN 394 Ca 0.66 -1.22 -0.31 0.00 -1.02 0.00 0.00 52.86 50.98 1f4h s ASN 394 Cb -0.30 -0.20 -0.09 0.00 0.02 0.00 0.00 41.25 40.68 1f4h s ASN 394 CO 0.57 -0.66 1.74 -2.28 0.02 0.00 0.00 177.10 176.49 1f4h s HIS 395 N -2.68 2.30 0.39 2.20 5.65 -1.26 -4.84 115.29 117.05 1f4h s HIS 395 Ca 0.34 0.16 0.28 0.00 0.25 0.00 0.00 55.06 56.10 1f4h s HIS 395 Cb 0.03 -4.07 1.32 0.00 -1.18 0.00 0.00 32.58 28.69 1f4h s HIS 395 CO 0.19 -4.34 1.40 -0.35 -0.65 0.00 0.00 174.74 170.99 1f4h n PRO 396 N 5.61 -0.03 0.42 2.88 -0.05 -1.26 -0.93 135.00 141.63 1f4h n PRO 396 Ca 0.17 1.14 -0.19 0.00 -0.05 0.00 0.00 63.50 64.56 1f4h n PRO 396 Cb 0.39 -2.22 -0.10 0.00 -0.05 0.00 0.00 33.50 31.53 1f4h n PRO 396 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 1f4h h LEU 397 N 0.00 -1.12 -0.09 1.53 5.85 -2.01 -3.11 115.31 116.36 1f4h h LEU 397 Ca 0.79 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.57 1f4h h LEU 397 Cb 2.49 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 43.83 1f4h h LEU 397 CO -0.45 -0.70 -0.05 1.87 -0.34 0.00 0.00 178.44 178.77 1f4h n TRP 398 N -5.59 -0.04 -0.15 1.25 -0.00 -0.11 0.22 117.44 113.02 1f4h n TRP 398 Ca -0.14 0.11 -0.03 0.00 -0.00 0.00 0.00 57.50 57.44 1f4h n TRP 398 Cb 0.47 -0.40 0.03 0.00 -0.00 0.00 0.00 31.31 31.41 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 -0.26 0.00 5.87 -1.99 -1.70 0.22 116.97 119.11 1f4h h TYR 399 Ca 0.01 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.82 1f4h h TYR 399 Cb 0.04 0.19 -0.06 0.00 2.00 0.00 0.00 36.73 38.90 1f4h h TYR 399 CO -0.12 -0.21 -0.46 1.15 -0.00 0.00 0.00 178.16 178.52 1f4h h THR 400 N -0.00 0.10 -0.65 -2.88 2.02 0.27 0.68 112.91 112.45 1f4h h THR 400 Ca 0.23 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.55 1f4h h THR 400 Cb 0.36 0.10 -0.11 0.00 -1.74 0.00 0.00 68.15 66.75 1f4h h THR 400 CO -0.50 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.31 1f4h h LEU 401 N -0.61 -0.31 -0.88 2.58 3.38 0.39 0.67 115.31 120.51 1f4h h LEU 401 Ca 0.04 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1f4h h LEU 401 Cb 0.68 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 1f4h h LEU 401 CO -0.33 -0.13 0.56 0.00 0.09 0.00 0.00 178.44 178.62 1f4h h ASP 403 N 1.03 0.68 0.17 0.00 3.32 0.63 0.26 116.42 122.50 1f4h h ASP 403 Ca 0.38 0.01 -0.35 0.00 0.02 0.00 0.00 57.03 57.08 1f4h h ASP 403 Cb 0.12 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1f4h h ASP 403 CO -0.16 0.45 -1.82 0.03 -1.72 0.00 0.00 179.24 176.03 1f4h h ARG 404 N 0.81 0.35 -0.04 3.56 3.08 0.34 -3.37 114.38 119.12 1f4h h ARG 404 Ca 0.30 -0.60 -0.21 0.00 0.07 0.00 0.00 59.98 59.54 1f4h h ARG 404 Cb 0.10 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1f4h h ARG 404 CO -0.14 1.29 -0.86 1.88 -1.07 0.00 0.00 179.97 181.06 1f4h h TYR 405 N 0.08 0.65 0.00 3.04 -1.99 0.30 -3.44 116.97 115.60 1f4h h TYR 405 Ca -0.37 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.04 1f4h h TYR 405 Cb 2.07 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.71 1f4h h TYR 405 CO 0.10 1.13 0.00 0.41 -0.00 0.00 0.00 178.16 179.79 1f4h n GLY 406 N 0.81 0.42 3.10 3.88 0.00 0.06 -4.81 105.19 108.63 1f4h n GLY 406 Ca -0.06 -0.68 -0.12 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 1.36 0.23 0.99 1.43 -1.08 -4.66 118.68 116.94 1f4h s LEU 407 Ca 0.00 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 1f4h s LEU 407 Cb 0.00 0.70 -0.09 0.00 0.03 0.00 0.00 46.19 46.83 1f4h s LEU 407 CO 0.00 -0.21 0.99 -0.31 0.23 0.00 0.00 176.35 177.05 1f4h s TYR 408 N -0.58 3.84 -0.07 0.29 1.51 1.44 -4.73 117.35 119.05 1f4h s TYR 408 Ca -0.07 1.83 0.05 0.00 -1.01 0.00 0.00 57.07 57.87 1f4h s TYR 408 Cb -0.04 -3.09 -0.00 0.00 -0.11 0.00 0.00 41.96 38.72 1f4h s TYR 408 CO 0.01 0.10 -0.22 0.08 -1.11 0.00 0.00 175.55 174.41 1f4h s VAL 409 N -0.96 1.89 -0.38 0.71 1.01 0.81 -0.45 120.40 123.04 1f4h s VAL 409 Ca 0.43 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1f4h s VAL 409 Cb -0.27 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1f4h s VAL 409 CO 0.34 0.52 0.34 -0.69 0.00 0.00 0.00 175.10 175.62 1f4h s VAL 410 N 0.13 5.19 -0.00 2.92 1.01 -0.11 -0.10 120.40 129.44 1f4h s VAL 410 Ca -0.11 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 1f4h s VAL 410 Cb -0.15 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1f4h s VAL 410 CO 0.06 -0.20 0.46 -0.62 0.00 0.00 0.00 175.10 174.79 1f4h s ASP 411 N 1.74 6.85 -0.02 3.32 2.15 -0.89 -2.22 116.67 127.60 1f4h s ASP 411 Ca 0.09 1.01 0.05 0.00 0.43 0.00 0.00 52.55 54.13 1f4h s ASP 411 Cb -0.17 -2.28 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 1f4h s ASP 411 CO 0.12 0.25 -0.18 -0.70 -0.17 0.00 0.00 175.17 174.48 1f4h s GLU 412 N -0.76 1.58 0.63 4.34 2.12 -1.26 -1.26 118.70 124.08 1f4h s GLU 412 Ca 0.25 -0.66 -0.19 0.00 0.36 0.00 0.00 54.97 54.74 1f4h s GLU 412 Cb -0.17 -1.49 -0.02 0.00 0.26 0.00 0.00 34.13 32.71 1f4h s GLU 412 CO 0.14 0.37 1.29 0.00 -0.54 0.00 0.00 175.26 176.52 1f4h s ALA 413 N -0.34 2.45 -1.09 6.30 0.00 -0.95 -1.91 121.76 126.21 1f4h s ALA 413 Ca 0.05 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.00 1f4h s ALA 413 Cb -0.08 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.59 1f4h s ALA 413 CO -0.00 -1.50 1.45 1.21 0.00 0.00 0.00 175.76 176.92 1f4h s ASN 414 N -1.39 6.67 -0.28 0.00 2.47 -1.26 -4.14 114.94 117.01 1f4h s ASN 414 Ca 0.81 -1.97 0.02 0.00 0.42 0.00 0.00 52.86 52.14 1f4h s ASN 414 Cb -0.37 -2.52 0.17 0.00 -1.45 0.00 0.00 41.25 37.08 1f4h s ASN 414 CO 0.39 -1.26 0.46 -0.63 -3.72 0.00 0.00 177.10 172.34 1f4h s ILE 415 N 3.99 -0.74 -0.13 -5.21 1.01 -1.26 -4.85 121.20 114.02 1f4h s ILE 415 Ca 0.45 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 1f4h s ILE 415 Cb -0.00 -0.97 0.06 0.00 0.01 0.00 0.00 42.46 41.56 1f4h s ILE 415 CO -0.05 -0.17 0.21 -0.70 0.00 0.00 0.00 174.94 174.23 1f4h s GLU 416 N 2.64 0.11 -0.26 2.79 2.12 -0.20 0.13 118.70 126.02 1f4h s GLU 416 Ca 0.11 0.56 0.10 0.00 0.36 0.00 0.00 54.97 56.10 1f4h s GLU 416 Cb -0.12 -0.38 0.48 0.00 0.26 0.00 0.00 34.13 34.37 1f4h s GLU 416 CO -0.26 -0.37 1.40 0.25 -0.54 0.00 0.00 175.26 175.73 1f4h n THR 417 N 5.33 2.44 -0.25 -1.70 -2.24 -0.99 -0.82 114.28 116.06 1f4h n THR 417 Ca -0.05 -2.80 0.04 0.00 -2.27 0.00 0.00 64.05 58.96 1f4h n THR 417 Cb 0.50 -0.30 0.09 0.00 -2.10 0.00 0.00 70.33 68.52 1f4h n THR 417 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1f4h n HIS 418 N -1.10 0.24 1.04 4.78 -0.00 -0.39 -1.03 115.22 118.75 1f4h n HIS 418 Ca 0.29 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.84 1f4h n HIS 418 Cb 0.94 -0.89 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 1f4h n HIS 418 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1f4h n GLY 419 N -1.43 0.08 3.92 1.57 0.00 -1.24 -4.79 105.19 103.31 1f4h n GLY 419 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.55 3.57 -0.22 1.61 -1.94 -0.19 -4.80 119.30 115.78 1f4h s MET 420 Ca 0.00 -0.04 0.01 0.00 -1.71 0.00 0.00 55.69 53.95 1f4h s MET 420 Cb 0.00 -2.57 0.05 0.00 2.01 0.00 0.00 34.83 34.32 1f4h s MET 420 CO 0.00 0.07 -0.09 0.08 -0.01 0.00 0.00 175.02 175.07 1f4h s VAL 421 N -2.34 1.69 0.48 -6.03 1.01 -1.26 -1.51 120.40 112.44 1f4h s VAL 421 Ca 0.44 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1f4h s VAL 421 Cb -0.10 -1.82 0.11 0.00 0.00 0.00 0.00 36.38 34.58 1f4h s VAL 421 CO 0.36 0.08 0.55 -0.81 0.00 0.00 0.00 175.10 175.28 1f4h n PRO 422 N 4.65 -1.12 0.14 2.72 -0.04 -1.26 -4.73 135.00 135.35 1f4h n PRO 422 Ca -0.14 -0.86 0.12 0.00 -0.04 0.00 0.00 63.50 62.57 1f4h n PRO 422 Cb 0.45 -0.66 0.51 0.00 -0.04 0.00 0.00 33.50 33.77 1f4h n PRO 422 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1f4h n MET 423 N -2.54 0.18 -0.06 0.54 1.56 -0.57 -1.66 117.12 114.56 1f4h n MET 423 Ca 0.07 0.48 -0.10 0.00 -0.27 0.00 0.00 57.70 57.88 1f4h n MET 423 Cb 0.26 -1.89 0.04 0.00 2.15 0.00 0.00 33.22 33.78 1f4h n MET 423 CO 0.00 0.00 0.00 -0.97 -0.73 0.00 0.00 175.97 174.27 1f4h h ASN 424 N 0.00 0.80 0.00 6.12 -0.00 -1.83 -3.28 115.58 117.40 1f4h h ASN 424 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 56.30 55.93 1f4h h ASN 424 Cb 0.26 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 1f4h h ASN 424 CO 0.00 1.10 0.00 -1.14 -0.00 0.00 0.00 177.43 177.39 1f4h n ARG 425 N -4.04 0.00 0.04 6.67 0.63 -0.67 -1.96 116.66 117.33 1f4h n ARG 425 Ca -0.02 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.69 1f4h n ARG 425 Cb 0.54 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.30 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 0.49 -2.31 6.15 3.38 -1.86 -3.34 115.31 117.82 1f4h h LEU 426 Ca 0.00 -0.90 0.04 0.00 0.09 0.00 0.00 57.88 57.11 1f4h h LEU 426 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1f4h h LEU 426 CO 0.00 1.72 0.19 0.71 0.09 0.00 0.00 178.44 181.15 1f4h h THR 427 N -0.10 0.32 0.00 0.22 1.35 -1.77 -0.19 112.91 112.74 1f4h h THR 427 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1f4h h THR 427 Cb 1.93 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1f4h h THR 427 CO 0.11 0.00 -1.22 -0.67 -0.25 0.00 0.00 175.52 173.50 1f4h n ASP 428 N -3.54 0.56 -4.66 5.36 2.03 -0.83 -2.18 116.55 113.29 1f4h n ASP 428 Ca 0.00 -0.24 -0.41 0.00 0.52 0.00 0.00 54.79 54.66 1f4h n ASP 428 Cb 0.29 1.04 -0.05 0.00 -0.72 0.00 0.00 41.12 41.69 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 -4.02 6.84 0.49 1.67 -1.08 -0.09 -4.61 116.67 115.88 1f4h s ASP 429 Ca 0.02 1.03 0.16 0.00 -0.52 0.00 0.00 52.55 53.23 1f4h s ASP 429 Cb 0.14 -2.41 1.18 0.00 -1.46 0.00 0.00 42.92 40.37 1f4h s ASP 429 CO 0.83 -0.37 2.09 1.55 0.52 0.00 0.00 175.17 179.79 1f4h h PRO 430 N 7.45 0.15 0.00 4.34 0.13 -1.90 0.18 132.00 142.34 1f4h h PRO 430 Ca -0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1f4h h PRO 430 Cb 1.13 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1f4h h PRO 430 CO 0.82 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 1f4h h ARG 431 N 0.16 0.00 -0.00 0.86 3.08 -1.90 -0.13 114.38 116.44 1f4h h ARG 431 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1f4h h ARG 431 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1f4h h ARG 431 CO -0.02 0.00 -0.89 0.91 -1.07 0.00 0.00 179.97 178.90 1f4h n TRP 432 N -3.07 0.00 -0.34 3.04 7.02 0.60 -4.21 117.44 120.48 1f4h n TRP 432 Ca -0.02 0.00 0.23 0.00 -1.02 0.00 0.00 57.50 56.69 1f4h n TRP 432 Cb 0.12 0.00 0.50 0.00 -2.42 0.00 0.00 31.31 29.52 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 0.35 0.46 0.35 -0.99 5.85 -0.84 0.55 115.31 121.04 1f4h h LEU 433 Ca 0.00 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1f4h h LEU 433 Cb 0.52 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1f4h h LEU 433 CO 0.00 0.06 -0.17 -0.65 -0.34 0.00 0.00 178.44 177.34 1f4h h PRO 434 N 0.39 -0.45 -0.76 5.25 0.11 -1.73 0.57 132.00 135.37 1f4h h PRO 434 Ca 0.63 0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.90 1f4h h PRO 434 Cb 1.58 0.10 -0.14 0.00 0.11 0.00 0.00 31.00 32.65 1f4h h PRO 434 CO -0.34 -0.22 -0.34 0.00 -0.21 0.00 0.00 178.00 176.89 1f4h h ALA 435 N -0.95 0.09 -0.41 -0.75 0.00 -1.60 0.60 119.26 116.24 1f4h h ALA 435 Ca -0.05 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1f4h h ALA 435 Cb 0.43 0.85 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1f4h h ALA 435 CO 0.08 -0.63 0.07 0.52 0.00 0.00 0.00 179.25 179.29 1f4h h MET 436 N -0.09 0.19 -0.68 0.00 2.86 0.13 -2.89 114.93 114.46 1f4h h MET 436 Ca 0.29 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 58.01 1f4h h MET 436 Cb 0.57 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 1f4h h MET 436 CO -0.81 0.13 0.32 0.66 1.06 0.00 0.00 176.91 178.27 1f4h h SER 437 N 0.19 0.41 -0.11 1.22 4.64 0.14 0.06 113.55 120.11 1f4h h SER 437 Ca 0.20 0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.61 1f4h h SER 437 Cb 0.25 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1f4h h SER 437 CO -0.27 0.24 0.09 -0.33 -0.87 0.00 0.00 176.83 175.68 1f4h h GLU 438 N 0.56 0.00 0.00 4.77 5.08 -1.07 -0.59 114.58 123.33 1f4h h GLU 438 Ca 0.33 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.51 1f4h h GLU 438 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1f4h h GLU 438 CO -0.27 0.00 -0.86 0.00 -1.00 0.00 0.00 179.01 176.88 1f4h h ARG 439 N 0.00 0.02 0.00 2.33 3.08 -0.99 -3.12 114.38 115.71 1f4h h ARG 439 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1f4h h ARG 439 Cb 0.22 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1f4h h ARG 439 CO -0.00 0.87 -0.30 0.28 -1.07 0.00 0.00 179.97 179.75 1f4h h VAL 440 N 0.01 0.27 -0.67 2.04 2.07 -1.23 -3.38 116.25 115.37 1f4h h VAL 440 Ca -0.01 -1.25 0.14 0.00 0.82 0.00 0.00 66.70 66.40 1f4h h VAL 440 Cb 1.52 0.56 -0.12 0.00 -1.52 0.00 0.00 31.29 31.73 1f4h h VAL 440 CO 0.11 0.09 -0.06 0.71 0.02 0.00 0.00 177.57 178.45 1f4h h THR 441 N -1.00 0.40 -0.13 2.57 1.35 -1.26 -2.36 112.91 112.47 1f4h h THR 441 Ca -0.03 -0.02 -0.06 0.00 -0.55 0.00 0.00 66.41 65.75 1f4h h THR 441 Cb 0.41 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 1f4h h THR 441 CO -0.02 0.01 -0.17 0.03 -0.25 0.00 0.00 175.52 175.13 1f4h h ARG 442 N 0.07 0.22 -0.61 4.72 3.08 -1.76 0.10 114.38 120.20 1f4h h ARG 442 Ca 0.34 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1f4h h ARG 442 Cb 0.56 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1f4h h ARG 442 CO -0.62 0.39 0.39 1.98 -1.07 0.00 0.00 179.97 181.04 1f4h h MET 443 N 0.21 0.81 -0.20 0.04 4.05 -1.60 -2.19 114.93 116.04 1f4h h MET 443 Ca 0.04 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 1f4h h MET 443 Cb 0.42 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1f4h h MET 443 CO 0.03 0.56 -0.07 0.28 0.23 0.00 0.00 176.91 177.94 1f4h h VAL 444 N 0.82 1.29 0.00 -5.77 2.07 -0.99 0.19 116.25 113.86 1f4h h VAL 444 Ca 0.22 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1f4h h VAL 444 Cb -0.06 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1f4h h VAL 444 CO -0.04 0.33 0.00 0.06 0.02 0.00 0.00 177.57 177.93 1f4h h GLN 445 N 0.12 0.00 0.00 1.57 3.07 -0.55 -2.58 115.11 116.74 1f4h h GLN 445 Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.72 1f4h h GLN 445 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 1f4h h GLN 445 CO 0.02 0.00 -0.91 -2.13 0.09 0.00 0.00 178.83 175.90 1f4h n ARG 446 N -2.46 0.50 0.00 0.06 0.63 -0.85 -2.41 116.66 112.13 1f4h n ARG 446 Ca -0.00 0.43 0.13 0.00 -0.92 0.00 0.00 57.85 57.49 1f4h n ARG 446 Cb 0.12 -1.62 0.48 0.00 0.45 0.00 0.00 32.46 31.89 1f4h n ARG 446 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1f4h n ASP 447 N -4.52 0.31 -0.04 6.15 9.92 0.63 -4.25 116.55 124.75 1f4h n ASP 447 Ca -0.16 -0.05 0.23 0.00 -0.53 0.00 0.00 54.79 54.27 1f4h n ASP 447 Cb 0.44 -0.11 0.55 0.00 -0.64 0.00 0.00 41.12 41.36 1f4h n ASP 447 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1f4h h ARG 448 N 0.15 0.00 -0.34 -1.24 0.11 -1.63 -1.63 114.38 109.80 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 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 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 -3.34 3.29 -4.71 0.08 3.02 -1.26 -4.92 115.26 107.42 1f4h n ASN 449 Ca 0.15 -2.31 -0.39 0.00 -0.03 0.00 0.00 54.58 51.99 1f4h n ASN 449 Cb 1.10 -0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 39.88 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 -1.56 3.53 0.37 3.10 3.76 -0.62 -4.88 115.29 118.99 1f4h s HIS 450 Ca 0.30 1.10 0.17 0.00 -0.15 0.00 0.00 55.06 56.48 1f4h s HIS 450 Cb 0.19 -2.74 0.94 0.00 1.11 0.00 0.00 32.58 32.09 1f4h s HIS 450 CO 0.14 0.07 1.90 -1.35 -0.85 0.00 0.00 174.74 174.65 1f4h h PRO 451 N 6.86 0.00 -0.21 8.40 0.11 -1.90 -3.00 132.00 142.26 1f4h h PRO 451 Ca -0.39 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 1f4h h PRO 451 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1f4h h PRO 451 CO 0.76 0.28 -0.10 0.66 -0.21 0.00 0.00 178.00 179.38 1f4h h SER 452 N 0.00 0.32 -2.81 -2.05 4.64 -1.85 -3.41 113.55 108.39 1f4h h SER 452 Ca -0.00 -0.07 -0.56 0.00 -0.47 0.00 0.00 61.79 60.69 1f4h h SER 452 Cb 0.55 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 1f4h h SER 452 CO 0.04 0.47 1.02 -0.69 -0.87 0.00 0.00 176.83 176.80 1f4h s VAL 453 N -4.77 3.91 -0.20 0.95 1.01 -1.14 -0.13 120.40 120.03 1f4h s VAL 453 Ca -0.06 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.06 1f4h s VAL 453 Cb 0.15 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1f4h s VAL 453 CO 0.75 -0.19 0.23 2.30 0.00 0.00 0.00 175.10 178.19 1f4h n ILE 454 N 5.77 0.00 -3.72 2.22 -5.35 0.86 -4.89 119.36 114.24 1f4h n ILE 454 Ca 0.16 -0.27 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 1f4h n ILE 454 Cb 0.45 0.75 -0.09 0.00 -1.74 0.00 0.00 39.64 39.01 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 -1.95 0.02 0.07 7.28 1.01 -1.24 -4.13 121.20 122.27 1f4h s ILE 455 Ca 0.01 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1f4h s ILE 455 Cb 0.05 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 1f4h s ILE 455 CO 0.28 -0.11 0.05 0.26 0.00 0.00 0.00 174.94 175.42 1f4h s TRP 456 N -0.58 3.14 0.00 3.97 0.52 0.10 -2.08 118.94 124.01 1f4h s TRP 456 Ca -0.07 0.06 0.06 0.00 0.02 0.00 0.00 56.10 56.17 1f4h s TRP 456 Cb -0.04 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1f4h s TRP 456 CO 0.03 0.51 -0.17 0.45 0.02 0.00 0.00 176.95 177.79 1f4h s SER 457 N -2.26 2.02 0.19 2.95 0.15 -0.39 0.11 113.70 116.48 1f4h s SER 457 Ca 0.27 -0.36 0.24 0.00 0.70 0.00 0.00 55.95 56.80 1f4h s SER 457 Cb -0.12 -0.20 0.91 0.00 -1.71 0.00 0.00 66.02 64.89 1f4h s SER 457 CO 0.20 0.18 1.74 0.18 1.20 0.00 0.00 173.24 176.73 1f4h n LEU 458 N 2.42 0.61 0.00 3.45 4.77 -0.79 -2.24 117.00 125.22 1f4h n LEU 458 Ca -0.15 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1f4h n LEU 458 Cb 0.54 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1f4h n LEU 458 CO 0.24 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1f4h n GLY 459 N 0.67 0.81 3.13 -0.72 0.00 -1.26 -4.63 105.19 103.18 1f4h n GLY 459 Ca 0.04 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.15 -0.96 1.61 2.47 0.34 -4.72 114.94 109.53 1f4h s ASN 460 Ca 0.00 0.21 -0.12 0.00 0.42 0.00 0.00 52.86 53.37 1f4h s ASN 460 Cb 0.00 0.37 0.01 0.00 -1.45 0.00 0.00 41.25 40.18 1f4h s ASN 460 CO 0.00 -0.22 0.64 -0.62 -3.72 0.00 0.00 177.10 173.17 1f4h n GLU 461 N 2.26 -1.12 -2.78 0.43 1.02 -1.26 -3.60 120.64 115.59 1f4h n GLU 461 Ca -0.17 0.55 -0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1f4h n GLU 461 Cb 0.57 -2.48 0.06 0.00 -0.02 0.00 0.00 31.44 29.56 1f4h n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1f4h n SER 462 N -2.46 1.29 0.00 1.62 7.64 -1.26 -1.26 113.62 119.19 1f4h n SER 462 Ca -0.24 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.60 1f4h n SER 462 Cb 0.65 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.64 1.54 2.63 0.23 0.00 -1.24 -4.45 105.19 103.26 1f4h n GLY 463 Ca 0.05 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 0.99 0.34 1.61 2.46 -1.26 -3.10 115.29 116.33 1f4h s HIS 464 Ca 0.00 -1.33 0.09 0.00 0.47 0.00 0.00 55.06 54.28 1f4h s HIS 464 Cb 0.00 -1.29 -0.05 0.00 -0.13 0.00 0.00 32.58 31.11 1f4h s HIS 464 CO 0.00 -0.85 0.05 0.20 -2.47 0.00 0.00 174.74 171.67 1f4h s GLY 465 N 1.79 2.05 0.44 1.59 0.00 -1.26 -4.88 107.32 107.05 1f4h s GLY 465 Ca 0.10 -1.93 0.17 0.00 0.00 0.00 0.00 44.72 43.05 1f4h s GLY 465 CO -0.29 -1.86 1.93 0.00 0.00 0.00 0.00 173.10 172.87 1f4h h ALA 466 N 1.73 2.15 -0.99 3.20 0.00 -1.81 0.31 119.26 123.84 1f4h h ALA 466 Ca -0.43 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 54.67 1f4h h ALA 466 Cb 1.25 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1f4h h ALA 466 CO 0.66 -0.35 0.60 -0.91 0.00 0.00 0.00 179.25 179.25 1f4h h ASN 467 N 0.38 0.76 -0.27 0.00 2.35 -1.71 -2.10 115.58 114.98 1f4h h ASN 467 Ca 0.36 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.20 1f4h h ASN 467 Cb 0.87 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1f4h h ASN 467 CO -0.11 0.25 0.14 0.45 -1.65 0.00 0.00 177.43 176.51 1f4h h HIS 468 N 0.73 0.38 -0.75 1.19 3.86 -0.55 -2.64 115.15 117.38 1f4h h HIS 468 Ca 0.58 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.82 1f4h h HIS 468 Cb 0.92 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.22 1f4h h HIS 468 CO -0.01 0.34 0.49 -0.44 0.86 0.00 0.00 177.93 179.17 1f4h h ASP 469 N 0.31 0.75 0.50 2.45 3.32 -1.36 0.24 116.42 122.63 1f4h h ASP 469 Ca 0.09 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 1f4h h ASP 469 Cb 0.09 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1f4h h ASP 469 CO -0.01 0.51 -0.79 0.00 -1.72 0.00 0.00 179.24 177.22 1f4h h ALA 470 N 1.57 0.61 0.00 3.45 0.00 -1.13 -2.45 119.26 121.31 1f4h h ALA 470 Ca 0.31 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1f4h h ALA 470 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1f4h h ALA 470 CO -0.10 0.85 -0.26 -0.07 0.00 0.00 0.00 179.25 179.68 1f4h h LEU 471 N 0.14 0.00 0.08 0.00 3.38 -1.06 0.22 115.31 118.06 1f4h h LEU 471 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1f4h h LEU 471 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1f4h h LEU 471 CO 0.12 0.26 -0.04 0.22 0.09 0.00 0.00 178.44 179.09 1f4h h TYR 472 N 0.00 -0.10 -0.48 1.13 3.20 -0.86 -2.07 116.97 117.80 1f4h h TYR 472 Ca -0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1f4h h TYR 472 Cb 1.00 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 1f4h h TYR 472 CO 0.00 0.41 0.33 -0.09 -1.64 0.00 0.00 178.16 177.17 1f4h h ARG 473 N -0.68 0.13 0.41 1.82 1.12 -1.20 0.22 114.38 116.21 1f4h h ARG 473 Ca -0.01 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 1f4h h ARG 473 Cb 0.55 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 1f4h h ARG 473 CO 0.02 0.09 -0.20 2.35 -3.11 0.00 0.00 179.97 179.12 1f4h h TRP 474 N 0.14 -0.51 -0.36 2.20 7.01 -0.08 -2.18 115.95 122.17 1f4h h TRP 474 Ca 0.23 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.26 1f4h h TRP 474 Cb 0.71 0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.90 1f4h h TRP 474 CO -0.00 -0.31 0.10 0.82 -2.79 0.00 0.00 178.44 176.26 1f4h h ILE 475 N -0.55 0.86 -0.49 2.65 2.04 -0.61 -0.95 117.51 120.45 1f4h h ILE 475 Ca -0.06 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 65.84 1f4h h ILE 475 Cb 0.42 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1f4h h ILE 475 CO 0.09 0.04 0.34 0.11 0.00 0.00 0.00 178.15 178.74 1f4h h LYS 476 N 0.24 0.15 0.02 2.37 1.79 -0.68 0.17 116.57 120.63 1f4h h LYS 476 Ca 0.17 -0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 58.36 1f4h h LYS 476 Cb 0.17 -0.03 0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1f4h h LYS 476 CO -0.19 0.10 -1.08 0.77 -1.08 0.00 0.00 179.45 177.96 1f4h h SER 477 N 0.16 0.89 0.09 0.86 0.02 -0.68 -3.30 113.55 111.58 1f4h h SER 477 Ca 0.23 -0.73 -0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1f4h h SER 477 Cb 0.72 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1f4h h SER 477 CO -0.03 1.54 -0.04 0.58 -1.14 0.00 0.00 176.83 177.73 1f4h h VAL 478 N 0.36 1.17 -2.98 2.27 2.07 0.21 -3.41 116.25 115.95 1f4h h VAL 478 Ca -0.14 -1.23 -0.59 0.00 0.82 0.00 0.00 66.70 65.55 1f4h h VAL 478 Cb 1.74 1.93 -0.40 0.00 -1.52 0.00 0.00 31.29 33.04 1f4h h VAL 478 CO 0.21 0.29 -0.76 -0.62 0.02 0.00 0.00 177.57 176.71 1f4h s ASP 479 N -5.62 3.68 0.04 0.57 2.15 0.43 -4.97 116.67 112.95 1f4h s ASP 479 Ca -0.15 -2.16 0.22 0.00 0.43 0.00 0.00 52.55 50.89 1f4h s ASP 479 Cb 0.01 -0.86 0.92 0.00 -0.30 0.00 0.00 42.92 42.69 1f4h s ASP 479 CO 0.59 -0.33 1.70 -0.81 -0.17 0.00 0.00 175.17 176.15 1f4h n PRO 480 N 4.15 0.04 0.00 4.34 -0.04 -1.24 -3.94 135.00 138.30 1f4h n PRO 480 Ca 0.05 0.16 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1f4h n PRO 480 Cb 0.38 -1.56 0.49 0.00 -0.04 0.00 0.00 33.50 32.77 1f4h n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1f4h n SER 481 N -1.63 0.00 -3.87 3.54 3.41 -1.26 -4.81 113.62 108.99 1f4h n SER 481 Ca 0.05 0.29 -0.14 0.00 -0.26 0.00 0.00 58.87 58.81 1f4h n SER 481 Cb 0.27 -0.42 -0.15 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.83 0.14 0.68 4.33 0.52 -1.25 -4.38 118.95 116.15 1f4h s ARG 482 Ca 0.14 -0.02 -0.16 0.00 -0.52 0.00 0.00 55.73 55.17 1f4h s ARG 482 Cb 0.14 -0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.43 1f4h s ARG 482 CO 0.37 -0.01 1.21 -2.14 0.02 0.00 0.00 175.30 174.75 1f4h s PRO 483 N 0.21 2.48 -0.07 3.54 0.02 -1.26 -4.70 135.00 135.22 1f4h s PRO 483 Ca -0.02 1.78 -0.00 0.00 0.02 0.00 0.00 61.00 62.78 1f4h s PRO 483 Cb -0.04 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1f4h s PRO 483 CO -0.01 -1.58 -0.02 0.08 -0.33 0.00 0.00 177.00 175.14 1f4h s VAL 484 N -1.84 4.09 0.06 3.83 1.01 -1.26 -0.72 120.40 125.57 1f4h s VAL 484 Ca 0.75 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1f4h s VAL 484 Cb -0.30 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1f4h s VAL 484 CO 0.41 0.57 -0.06 0.00 0.00 0.00 0.00 175.10 176.01 1f4h s GLN 485 N -0.97 0.59 -0.29 2.72 -2.07 0.30 -0.45 119.66 119.49 1f4h s GLN 485 Ca 0.14 -0.95 -0.16 0.00 -1.82 0.00 0.00 55.36 52.57 1f4h s GLN 485 Cb -0.11 -0.15 0.12 0.00 -1.09 0.00 0.00 33.01 31.78 1f4h s GLN 485 CO 0.03 -0.00 0.84 -0.47 -1.32 0.00 0.00 175.29 174.37 1f4h s TYR 486 N -2.31 -0.82 -0.12 9.60 5.04 -1.26 -1.89 117.35 125.59 1f4h s TYR 486 Ca -0.03 1.62 0.17 0.00 -2.44 0.00 0.00 57.07 56.40 1f4h s TYR 486 Cb -0.04 0.49 -0.21 0.00 0.35 0.00 0.00 41.96 42.55 1f4h s TYR 486 CO -0.02 -0.41 0.52 -1.91 -1.34 0.00 0.00 175.55 172.39 1f4h n GLU 487 N 4.05 0.65 -1.57 4.97 0.00 -1.26 -4.42 120.64 123.06 1f4h n GLU 487 Ca -0.19 0.10 -0.41 0.00 0.00 0.00 0.00 57.16 56.66 1f4h n GLU 487 Cb 0.58 -1.68 0.01 0.00 0.00 0.00 0.00 31.44 30.36 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 1.51 -0.58 0.82 8.31 0.00 -1.26 -1.28 105.19 112.71 1f4h n GLY 488 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.36 0.73 0.00 -0.02 0.00 -1.18 -4.39 105.19 101.69 1f4h n GLY 489 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.13 0.99 3.66 -0.02 0.00 -1.14 -4.76 105.19 101.80 1f4h n GLY 490 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.00 4.61 0.00 -0.41 -4.75 120.51 118.96 1f4h n ALA 491 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1f4h n ALA 491 Cb 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 19.45 19.30 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 1.69 -3.53 0.00 5.68 -1.26 -2.39 116.55 116.75 1f4h n ASP 492 Ca 0.00 -2.51 -0.30 0.00 -0.50 0.00 0.00 54.79 51.47 1f4h n ASP 492 Cb 0.00 -0.27 0.28 0.00 -1.14 0.00 0.00 41.12 40.00 1f4h n ASP 492 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1f4h s THR 493 N -1.76 1.27 -1.03 2.12 -4.23 -1.26 -4.89 115.64 105.86 1f4h s THR 493 Ca 0.17 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.88 1f4h s THR 493 Cb 0.15 -2.09 0.18 0.00 1.34 0.00 0.00 72.50 72.07 1f4h s THR 493 CO 0.02 0.00 1.63 0.35 -0.54 0.00 0.00 174.62 176.08 1f4h n THR 494 N -5.55 0.62 0.78 3.99 -2.24 -1.26 -2.96 114.28 107.67 1f4h n THR 494 Ca 0.12 0.16 0.06 0.00 -2.27 0.00 0.00 64.05 62.12 1f4h n THR 494 Cb 0.60 -0.82 0.17 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.48 2.45 -3.63 6.98 0.00 -1.26 -4.86 120.51 118.71 1f4h n ALA 495 Ca 0.05 -0.67 -0.17 0.00 0.00 0.00 0.00 53.44 52.66 1f4h n ALA 495 Cb 0.23 -0.97 -0.16 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.50 0.18 -0.29 0.00 -1.32 -1.15 -4.06 115.64 107.50 1f4h s THR 496 Ca 0.25 0.06 0.28 0.00 -1.21 0.00 0.00 61.69 61.07 1f4h s THR 496 Cb 0.13 -0.26 0.32 0.00 -1.51 0.00 0.00 72.50 71.18 1f4h s THR 496 CO 0.17 0.14 1.81 0.44 -2.21 0.00 0.00 174.62 174.97 1f4h h ASP 497 N 7.14 0.00 -3.86 8.08 3.32 -1.08 -3.45 116.42 126.56 1f4h h ASP 497 Ca -0.42 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.30 1f4h h ASP 497 Cb 1.14 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.40 1f4h h ASP 497 CO 0.48 0.00 -0.76 -0.63 -1.72 0.00 0.00 179.24 176.61 1f4h s ILE 498 N -3.41 0.44 -0.29 0.35 1.01 -1.26 -4.68 121.20 113.36 1f4h s ILE 498 Ca 0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1f4h s ILE 498 Cb 0.09 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 1f4h s ILE 498 CO 0.51 0.13 1.55 -0.63 0.00 0.00 0.00 174.94 176.51 1f4h s ILE 499 N 0.01 3.78 -0.58 2.92 1.01 -0.42 -4.81 121.20 123.10 1f4h s ILE 499 Ca 0.00 0.85 0.06 0.00 0.00 0.00 0.00 60.65 61.57 1f4h s ILE 499 Cb -0.04 -3.87 0.28 0.00 0.01 0.00 0.00 42.46 38.84 1f4h s ILE 499 CO -0.00 -0.43 0.77 0.00 0.00 0.00 0.00 174.94 175.27 1f4h s PRO 501 N -2.55 -0.55 -0.09 0.00 0.04 -1.26 -3.89 135.00 126.70 1f4h s PRO 501 Ca 0.41 0.10 0.01 0.00 0.04 0.00 0.00 61.00 61.56 1f4h s PRO 501 Cb 0.19 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 33.09 1f4h s PRO 501 CO -0.06 -3.30 -0.09 0.00 0.04 0.00 0.00 177.00 173.59 1f4h s MET 502 N -5.29 1.57 -0.63 4.56 0.23 -1.26 -0.06 119.30 118.43 1f4h s MET 502 Ca 0.69 -0.31 0.00 0.00 -1.03 0.00 0.00 55.69 55.04 1f4h s MET 502 Cb -0.12 -1.49 0.00 0.00 -1.53 0.00 0.00 34.83 31.68 1f4h s MET 502 CO 0.56 -0.15 0.00 0.66 -2.03 0.00 0.00 175.02 174.06 1f4h n TYR 503 N 4.49 -0.10 -2.59 3.16 4.02 -0.98 -4.94 117.16 120.22 1f4h n TYR 503 Ca -0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.32 1f4h n TYR 503 Cb 0.51 -1.57 -0.05 0.00 -0.02 0.00 0.00 39.34 38.21 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 -2.26 3.37 0.79 -0.72 0.00 -1.26 -4.93 121.76 116.76 1f4h s ALA 504 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 1f4h s ALA 504 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.91 1f4h s ALA 504 CO 0.00 -0.01 1.16 1.03 0.00 0.00 0.00 175.76 177.94 1f4h s ARG 505 N -1.23 2.10 -0.03 0.00 0.52 -1.25 -4.75 118.95 114.31 1f4h s ARG 505 Ca 0.43 0.18 -0.25 0.00 -0.52 0.00 0.00 55.73 55.58 1f4h s ARG 505 Cb -0.29 -1.96 -0.19 0.00 0.52 0.00 0.00 34.95 33.02 1f4h s ARG 505 CO 0.37 -1.51 1.17 0.28 0.02 0.00 0.00 175.30 175.62 1f4h h VAL 506 N -1.00 1.24 0.00 3.52 2.07 -1.94 0.15 116.25 120.29 1f4h h VAL 506 Ca -0.46 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 1f4h h VAL 506 Cb 1.32 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 1f4h h VAL 506 CO 0.65 0.28 -1.32 0.47 0.02 0.00 0.00 177.57 177.68 1f4h n ASP 507 N -4.89 3.73 -4.78 0.57 8.00 -1.26 -3.09 116.55 114.84 1f4h n ASP 507 Ca -0.09 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.05 1f4h n ASP 507 Cb 0.27 0.86 -0.07 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.22 4.05 0.24 -1.24 -1.05 -1.26 -4.76 118.70 112.45 1f4h s GLU 508 Ca -0.02 0.14 -0.18 0.00 -0.15 0.00 0.00 54.97 54.76 1f4h s GLU 508 Cb 0.02 -3.34 -0.08 0.00 -0.44 0.00 0.00 34.13 30.29 1f4h s GLU 508 CO 0.22 0.43 0.72 -0.51 0.95 0.00 0.00 175.26 177.06 1f4h s ASP 509 N -0.12 6.98 -0.45 0.83 1.01 -1.26 -3.79 116.67 119.87 1f4h s ASP 509 Ca 0.18 1.37 0.04 0.00 0.71 0.00 0.00 52.55 54.84 1f4h s ASP 509 Cb -0.14 -2.40 0.12 0.00 1.01 0.00 0.00 42.92 41.51 1f4h s ASP 509 CO 0.06 -0.01 0.19 -1.10 0.21 0.00 0.00 175.17 174.52 1f4h s GLN 510 N -2.19 1.69 -1.32 8.23 -0.21 0.67 -4.94 119.66 121.60 1f4h s GLN 510 Ca 0.45 -2.27 -0.14 0.00 0.02 0.00 0.00 55.36 53.42 1f4h s GLN 510 Cb -0.15 -3.10 0.10 0.00 1.00 0.00 0.00 33.01 30.87 1f4h s GLN 510 CO 0.20 -1.06 1.83 -0.35 -2.12 0.00 0.00 175.29 173.79 1f4h n PRO 511 N 3.55 3.23 -2.69 2.91 -0.04 -1.26 0.41 135.00 141.12 1f4h n PRO 511 Ca 0.05 -3.28 -0.42 0.00 -0.04 0.00 0.00 63.50 59.81 1f4h n PRO 511 Cb 0.35 -3.23 -0.03 0.00 -0.04 0.00 0.00 33.50 30.56 1f4h n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1f4h s PHE 512 N 2.59 3.59 0.25 0.54 2.99 -1.26 -4.91 117.98 121.77 1f4h s PHE 512 Ca 0.47 1.64 -0.31 0.00 0.00 0.00 0.00 56.93 58.73 1f4h s PHE 512 Cb 0.06 -3.16 -0.14 0.00 0.00 0.00 0.00 43.02 39.79 1f4h s PHE 512 CO 0.00 -0.16 1.32 -0.35 -0.00 0.00 0.00 175.22 176.03 1f4h n PRO 513 N 4.35 1.87 0.00 0.24 -0.04 -1.26 -1.14 135.00 139.01 1f4h n PRO 513 Ca 0.07 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1f4h n PRO 513 Cb 0.50 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1f4h n PRO 513 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f4h n ALA 514 N 1.43 0.00 -3.24 0.55 0.00 -1.26 -4.60 120.51 113.39 1f4h n ALA 514 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1f4h n ALA 514 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 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 0.07 -1.47 0.00 0.24 -0.77 -4.91 118.33 111.49 1f4h n VAL 515 Ca 0.00 -4.32 -0.33 0.00 -2.04 0.00 0.00 64.34 57.65 1f4h n VAL 515 Cb 0.00 -1.96 0.08 0.00 -1.47 0.00 0.00 33.84 30.49 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 -1.53 2.34 -0.58 7.34 0.04 -0.29 -4.44 135.00 137.87 1f4h s PRO 516 Ca 0.36 1.47 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1f4h s PRO 516 Cb 0.17 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.97 1f4h s PRO 516 CO -0.09 -1.62 0.36 0.15 0.04 0.00 0.00 177.00 175.84 1f4h s LYS 517 N -4.24 2.28 0.65 4.56 1.02 1.38 -4.84 119.74 120.55 1f4h s LYS 517 Ca 0.68 -2.62 -0.16 0.00 0.02 0.00 0.00 55.97 53.89 1f4h s LYS 517 Cb -0.23 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 1f4h s LYS 517 CO 0.47 -1.15 1.12 -1.58 -0.92 0.00 0.00 175.35 173.29 1f4h s TRP 518 N -0.26 2.61 0.20 3.18 0.23 -1.26 0.24 118.94 123.89 1f4h s TRP 518 Ca 0.17 1.55 -0.33 0.00 -2.03 0.00 0.00 56.10 55.47 1f4h s TRP 518 Cb -0.23 -3.19 -0.13 0.00 0.03 0.00 0.00 33.47 29.95 1f4h s TRP 518 CO -0.02 -1.70 1.59 0.45 0.96 0.00 0.00 176.95 178.23 1f4h n SER 519 N -2.28 3.32 -0.30 2.95 2.88 -1.25 -4.40 113.62 114.55 1f4h n SER 519 Ca 0.11 1.09 0.12 0.00 -1.33 0.00 0.00 58.87 58.86 1f4h n SER 519 Cb 0.52 -1.48 0.26 0.00 -0.75 0.00 0.00 64.21 62.77 1f4h n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1f4h h ILE 520 N 3.54 0.27 -0.35 2.46 3.07 -0.62 0.19 117.51 126.07 1f4h h ILE 520 Ca -0.45 -0.05 -0.04 0.00 1.55 0.00 0.00 64.86 65.87 1f4h h ILE 520 Cb 1.24 0.11 -0.02 0.00 -0.27 0.00 0.00 36.82 37.88 1f4h h ILE 520 CO 0.87 0.03 0.06 0.11 -1.05 0.00 0.00 178.15 178.17 1f4h h LYS 521 N 0.15 0.52 0.14 0.16 1.57 -1.81 -2.75 116.57 114.55 1f4h h LYS 521 Ca 0.53 -0.09 -0.31 0.00 -1.87 0.00 0.00 60.65 58.91 1f4h h LYS 521 Cb 1.06 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1f4h h LYS 521 CO -0.70 0.50 -1.55 -0.22 -0.57 0.00 0.00 179.45 176.91 1f4h h LYS 522 N 0.51 0.29 -0.94 3.15 3.64 -1.43 -3.30 116.57 118.48 1f4h h LYS 522 Ca 0.12 -0.49 0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1f4h h LYS 522 Cb 0.24 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.16 1f4h h LYS 522 CO 0.00 1.17 0.60 2.35 -2.27 0.00 0.00 179.45 181.30 1f4h h TRP 523 N 0.08 0.82 0.00 1.91 2.91 -0.39 -1.54 115.95 119.73 1f4h h TRP 523 Ca -0.26 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.71 1f4h h TRP 523 Cb 2.04 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 30.42 1f4h h TRP 523 CO 0.07 0.23 -0.38 -0.07 -1.03 0.00 0.00 178.44 177.27 1f4h h LEU 524 N 0.63 0.00 -2.77 0.65 3.38 -1.61 -3.15 115.31 112.44 1f4h h LEU 524 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1f4h h LEU 524 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1f4h h LEU 524 CO -0.26 0.38 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 1f4h n SER 525 N -3.84 4.11 -4.68 -0.43 3.41 -0.59 -4.56 113.62 107.04 1f4h n SER 525 Ca -0.01 -2.12 -0.37 0.00 -0.26 0.00 0.00 58.87 56.11 1f4h n SER 525 Cb 0.45 -0.51 0.07 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.49 5.06 -4.66 1.04 4.32 -1.15 -4.80 117.00 118.30 1f4h n LEU 526 Ca 0.25 0.80 -0.42 0.00 -0.02 0.00 0.00 56.01 56.61 1f4h n LEU 526 Cb 0.69 -1.49 -0.03 0.00 -1.62 0.00 0.00 43.42 40.97 1f4h n LEU 526 CO 0.19 -1.39 1.37 -2.84 -1.22 0.00 0.00 177.39 173.49 1f4h s PRO 527 N -3.19 4.16 0.00 3.23 0.02 -1.26 -1.85 135.00 136.10 1f4h s PRO 527 Ca 0.80 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.97 1f4h s PRO 527 Cb -0.39 -3.98 0.00 0.00 0.02 0.00 0.00 34.50 30.15 1f4h s PRO 527 CO 0.43 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 1f4h n GLY 528 N 4.15 3.08 3.77 0.52 0.00 -1.26 -5.07 105.19 110.38 1f4h n GLY 528 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1f4h n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f4h s GLU 529 N -0.91 4.21 0.00 1.61 -6.30 -0.77 -4.92 118.70 111.62 1f4h s GLU 529 Ca 0.00 1.87 0.00 0.00 -2.50 0.00 0.00 54.97 54.34 1f4h s GLU 529 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 34.13 31.31 1f4h s GLU 529 CO 0.00 -0.19 0.00 0.25 0.02 0.00 0.00 175.26 175.34 1f4h n THR 530 N 0.38 0.00 -1.98 -1.70 -2.24 -1.26 -4.80 114.28 102.67 1f4h n THR 530 Ca 0.03 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.47 1f4h n THR 530 Cb 0.46 0.85 0.02 0.00 -2.10 0.00 0.00 70.33 69.56 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 3.11 0.64 -0.78 0.52 -1.26 -4.12 118.95 117.05 1f4h s ARG 531 Ca 0.00 1.39 -0.16 0.00 -0.52 0.00 0.00 55.73 56.44 1f4h s ARG 531 Cb 0.00 -1.99 -0.01 0.00 0.52 0.00 0.00 34.95 33.47 1f4h s ARG 531 CO 0.00 -1.01 1.12 -1.25 0.02 0.00 0.00 175.30 174.18 1f4h s PRO 532 N -3.87 2.85 -0.23 3.54 0.04 -1.12 -4.76 135.00 131.46 1f4h s PRO 532 Ca 0.67 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 1f4h s PRO 532 Cb -0.20 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1f4h s PRO 532 CO 0.36 -1.22 -0.08 -1.17 0.04 0.00 0.00 177.00 174.92 1f4h s LEU 533 N -4.69 2.88 -0.17 -3.56 2.96 0.15 -1.30 118.68 114.95 1f4h s LEU 533 Ca 0.69 -0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1f4h s LEU 533 Cb -0.22 -1.65 0.05 0.00 0.50 0.00 0.00 46.19 44.86 1f4h s LEU 533 CO 0.39 -0.07 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.71 1f4h s ILE 534 N 1.37 0.88 0.18 6.68 1.01 -0.73 -2.43 121.20 128.16 1f4h s ILE 534 Ca 0.03 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 59.80 1f4h s ILE 534 Cb -0.15 -1.16 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 1f4h s ILE 534 CO -0.06 0.02 1.42 -0.76 0.00 0.00 0.00 174.94 175.56 1f4h s LEU 535 N 1.72 4.39 0.14 2.97 1.43 -0.92 -4.10 118.68 124.30 1f4h s LEU 535 Ca 0.00 2.50 -0.02 0.00 -1.03 0.00 0.00 54.13 55.59 1f4h s LEU 535 Cb -0.16 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.38 1f4h s LEU 535 CO -0.07 -0.67 1.32 0.00 0.23 0.00 0.00 176.35 177.16 1f4h s GLU 537 N -3.19 0.53 -0.13 0.00 2.02 -1.23 -4.09 118.70 112.61 1f4h s GLU 537 Ca -0.04 -0.91 -0.31 0.00 0.02 0.00 0.00 54.97 53.72 1f4h s GLU 537 Cb 0.09 -0.05 0.13 0.00 0.10 0.00 0.00 34.13 34.40 1f4h s GLU 537 CO 0.85 -0.03 1.07 1.52 0.02 0.00 0.00 175.26 178.69 1f4h s TYR 538 N -2.35 -0.25 -0.83 1.61 -0.85 -0.35 -2.31 117.35 112.01 1f4h s TYR 538 Ca -0.04 0.28 -0.02 0.00 -0.52 0.00 0.00 57.07 56.76 1f4h s TYR 538 Cb -0.03 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.78 1f4h s TYR 538 CO -0.03 -0.33 0.76 0.00 -1.52 0.00 0.00 175.55 174.43 1f4h n ALA 539 N 0.15 -2.47 -1.53 9.51 0.00 -1.26 -1.61 120.51 123.30 1f4h n ALA 539 Ca -0.05 0.05 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 1f4h n ALA 539 Cb 0.59 -2.95 -0.06 0.00 0.00 0.00 0.00 19.45 17.03 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 -2.26 1.84 -1.82 0.00 -0.00 -0.79 -3.74 115.22 108.45 1f4h n HIS 540 Ca -0.02 0.13 -0.35 0.00 0.46 0.00 0.00 57.72 57.93 1f4h n HIS 540 Cb 0.54 -2.60 -0.00 0.00 -0.12 0.00 0.00 29.99 27.81 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 9.65 6.48 -2.65 1.57 0.00 0.22 -4.43 120.51 131.36 1f4h n ALA 541 Ca 0.35 -3.75 -0.43 0.00 0.00 0.00 0.00 53.44 49.60 1f4h n ALA 541 Cb 0.29 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 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 -3.06 3.29 6.76 0.00 -2.45 -1.25 -3.55 119.30 119.04 1f4h s MET 542 Ca 0.54 -0.39 0.00 0.00 -1.25 0.00 0.00 55.69 54.59 1f4h s MET 542 Cb 0.39 -4.03 0.00 0.00 1.25 0.00 0.00 34.83 32.44 1f4h s MET 542 CO -0.31 -1.30 0.00 0.41 1.05 0.00 0.00 175.02 174.87 1f4h n GLY 543 N 5.10 3.79 3.56 2.11 0.00 -1.22 -4.14 105.19 114.39 1f4h n GLY 543 Ca -0.00 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 6.15 0.06 1.61 3.84 -1.26 -4.83 114.94 116.51 1f4h s ASN 544 Ca 0.00 -1.33 0.00 0.00 0.21 0.00 0.00 52.86 51.74 1f4h s ASN 544 Cb 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1f4h s ASN 544 CO 0.00 -1.83 0.07 -0.24 -2.79 0.00 0.00 177.10 172.31 1f4h n SER 545 N 10.24 -0.20 0.00 -4.21 2.88 -1.26 -4.65 113.62 116.42 1f4h n SER 545 Ca 0.36 -1.33 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 1f4h n SER 545 Cb 0.50 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 1f4h n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1f4h n LEU 546 N 0.00 0.00 -4.73 2.46 7.94 -1.22 -4.75 117.00 116.70 1f4h n LEU 546 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.49 1f4h n LEU 546 Cb 0.10 -0.19 -0.03 0.00 0.53 0.00 0.00 43.42 43.83 1f4h n LEU 546 CO 0.05 0.00 1.19 -0.83 -1.11 0.00 0.00 177.39 176.69 1f4h s GLY 547 N -2.24 1.86 0.00 -3.96 0.00 -0.75 -2.44 107.32 99.80 1f4h s GLY 547 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1f4h s GLY 547 CO 0.00 2.51 0.00 0.61 0.00 0.00 0.00 173.10 176.22 1f4h n GLY 548 N 3.09 3.29 0.19 0.20 0.00 -0.41 -4.25 105.19 107.30 1f4h n GLY 548 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.87 0.49 0.03 1.61 7.35 -1.02 0.94 117.46 124.99 1f4h n PHE 549 Ca 0.00 0.67 -0.12 0.00 -0.76 0.00 0.00 57.45 57.24 1f4h n PHE 549 Cb 0.00 -1.01 -0.08 0.00 0.35 0.00 0.00 39.48 38.75 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 1.13 -0.84 -0.80 3.13 0.00 -1.87 -1.64 119.26 118.36 1f4h h ALA 550 Ca 0.40 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.44 1f4h h ALA 550 Cb 0.96 0.87 -0.15 0.00 0.00 0.00 0.00 17.79 19.47 1f4h h ALA 550 CO -0.49 -0.98 -0.08 1.63 0.00 0.00 0.00 179.25 179.33 1f4h n LYS 551 N -4.82 -0.07 -0.02 0.00 5.02 0.27 0.20 118.16 118.75 1f4h n LYS 551 Ca -0.06 1.22 -0.10 0.00 -2.02 0.00 0.00 58.31 57.36 1f4h n LYS 551 Cb 0.31 -1.88 -0.04 0.00 -0.02 0.00 0.00 35.03 33.39 1f4h n LYS 551 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1f4h h TYR 552 N 0.00 -0.00 0.00 2.13 -1.99 -1.32 -2.64 116.97 113.14 1f4h h TYR 552 Ca 0.44 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.17 1f4h h TYR 552 Cb 0.81 0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.56 1f4h h TYR 552 CO -0.50 -0.02 -0.06 -1.49 -0.00 0.00 0.00 178.16 176.09 1f4h h TRP 553 N 0.05 0.00 0.14 4.88 4.06 0.31 0.53 115.95 125.92 1f4h h TRP 553 Ca 0.07 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.71 1f4h h TRP 553 Cb 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1f4h h TRP 553 CO -0.15 0.06 -1.52 -0.56 -3.56 0.00 0.00 178.44 172.72 1f4h h GLN 554 N 0.00 0.29 0.08 0.49 3.07 -1.10 -1.68 115.11 116.25 1f4h h GLN 554 Ca -0.00 -0.49 -0.00 0.00 0.09 0.00 0.00 58.65 58.25 1f4h h GLN 554 Cb 0.35 0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.10 1f4h h GLN 554 CO 0.01 1.17 -0.04 0.00 0.09 0.00 0.00 178.83 180.06 1f4h h ALA 555 N 0.44 -0.11 -0.81 0.06 0.00 -1.07 0.25 119.26 118.02 1f4h h ALA 555 Ca -0.24 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.66 1f4h h ALA 555 Cb 2.03 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.76 1f4h h ALA 555 CO 0.18 -0.39 0.35 0.74 0.00 0.00 0.00 179.25 180.12 1f4h h PHE 556 N -0.45 0.59 -0.09 0.00 0.05 -0.99 0.49 116.94 116.53 1f4h h PHE 556 Ca -0.01 0.04 -0.13 0.00 3.82 0.00 0.00 57.97 61.68 1f4h h PHE 556 Cb 0.39 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.19 1f4h h PHE 556 CO 0.04 0.05 -0.53 0.00 -0.18 0.00 0.00 178.31 177.69 1f4h h ARG 557 N 0.46 0.24 0.12 1.51 3.08 -0.88 -3.29 114.38 115.62 1f4h h ARG 557 Ca 0.46 -0.15 -0.28 0.00 0.07 0.00 0.00 59.98 60.09 1f4h h ARG 557 Cb 0.75 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1f4h h ARG 557 CO -0.43 0.72 -1.31 0.37 -1.07 0.00 0.00 179.97 178.25 1f4h h GLN 558 N 0.19 0.25 -4.64 0.04 4.15 0.27 -3.44 115.11 111.93 1f4h h GLN 558 Ca 0.00 -0.43 -0.69 0.00 0.77 0.00 0.00 58.65 58.30 1f4h h GLN 558 Cb 1.00 0.16 -0.20 0.00 0.21 0.00 0.00 27.48 28.65 1f4h h GLN 558 CO 0.08 1.18 -0.48 0.71 -1.93 0.00 0.00 178.83 178.40 1f4h s TYR 559 N -2.65 3.23 0.31 3.99 1.51 0.14 -4.98 117.35 118.89 1f4h s TYR 559 Ca -0.05 -0.43 0.07 0.00 -1.01 0.00 0.00 57.07 55.65 1f4h s TYR 559 Cb 0.07 -2.49 0.79 0.00 -0.11 0.00 0.00 41.96 40.21 1f4h s TYR 559 CO 0.87 -0.47 1.75 -1.35 -1.11 0.00 0.00 175.55 175.25 1f4h h PRO 560 N 8.51 0.66 -0.00 -1.71 0.10 -1.86 -1.14 132.00 136.56 1f4h h PRO 560 Ca -0.30 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.76 1f4h h PRO 560 Cb 1.14 -0.15 0.00 0.00 0.10 0.00 0.00 31.00 32.09 1f4h h PRO 560 CO 0.66 0.43 -0.04 0.54 0.10 0.00 0.00 178.00 179.70 1f4h n ARG 561 N -4.83 0.80 -3.45 1.05 1.74 -1.26 -4.33 116.66 106.38 1f4h n ARG 561 Ca 0.24 -0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.73 1f4h n ARG 561 Cb 0.64 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.31 6.18 -0.46 0.55 1.43 -0.43 0.30 118.68 123.94 1f4h s LEU 562 Ca 0.35 -3.23 -0.00 0.00 -1.03 0.00 0.00 54.13 50.22 1f4h s LEU 562 Cb 0.21 -2.10 0.39 0.00 0.03 0.00 0.00 46.19 44.72 1f4h s LEU 562 CO 0.43 -0.37 1.93 0.00 0.23 0.00 0.00 176.35 178.57 1f4h n GLN 563 N 3.14 2.18 0.00 1.70 6.02 -1.02 -4.52 117.38 124.89 1f4h n GLN 563 Ca 0.18 -2.44 0.00 0.00 -0.01 0.00 0.00 57.00 54.73 1f4h n GLN 563 Cb 0.41 -1.96 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 -0.47 0.08 0.00 1.08 0.00 -1.26 -1.36 105.19 103.26 1f4h n GLY 564 Ca 0.47 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.84 3.14 -0.02 0.00 -0.91 -2.17 105.19 103.39 1f4h n GLY 565 Ca 0.00 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.26 3.01 0.66 1.61 0.40 -0.41 -1.01 117.98 119.96 1f4h s PHE 566 Ca 0.00 -1.77 -0.16 0.00 -0.60 0.00 0.00 56.93 54.40 1f4h s PHE 566 Cb 0.00 -1.98 -0.00 0.00 0.51 0.00 0.00 43.02 41.55 1f4h s PHE 566 CO 0.00 -0.79 1.15 0.08 0.70 0.00 0.00 175.22 176.36 1f4h s VAL 567 N 1.26 2.89 -0.20 -0.44 1.01 -0.01 -1.22 120.40 123.70 1f4h s VAL 567 Ca -0.00 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1f4h s VAL 567 Cb -0.16 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.24 1f4h s VAL 567 CO -0.08 -0.22 -0.12 0.86 0.00 0.00 0.00 175.10 175.55 1f4h s TRP 568 N -2.07 2.56 0.00 5.22 -0.11 -0.63 -0.64 118.94 123.26 1f4h s TRP 568 Ca 0.71 -1.67 0.00 0.00 1.22 0.00 0.00 56.10 56.36 1f4h s TRP 568 Cb -0.25 -1.71 0.00 0.00 -1.50 0.00 0.00 33.47 30.02 1f4h s TRP 568 CO 0.40 -0.76 0.00 -0.40 -4.62 0.00 0.00 176.95 171.56 1f4h n ASP 569 N 4.65 0.17 0.03 5.86 3.85 -0.49 0.69 116.55 131.31 1f4h n ASP 569 Ca -0.16 -0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 53.90 1f4h n ASP 569 Cb 0.47 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.23 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 0.00 -0.13 -1.74 2.11 -0.00 -1.49 -1.60 115.95 113.09 1f4h h TRP 570 Ca 0.00 -0.00 -0.54 0.00 -0.00 0.00 0.00 58.89 58.34 1f4h h TRP 570 Cb 0.00 0.04 -0.07 0.00 -0.00 0.00 0.00 29.16 29.13 1f4h h TRP 570 CO 0.00 -0.08 -0.50 0.14 -0.00 0.00 0.00 178.44 178.00 1f4h s VAL 571 N -1.94 2.76 -0.07 2.65 -7.23 -1.26 0.59 120.40 115.90 1f4h s VAL 571 Ca -0.02 -1.64 -0.20 0.00 -1.81 0.00 0.00 61.98 58.31 1f4h s VAL 571 Cb 0.00 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1f4h s VAL 571 CO 0.06 -0.10 0.57 -1.81 -0.31 0.00 0.00 175.10 173.51 1f4h s ASP 572 N -3.91 6.84 -0.29 4.85 1.11 -0.89 -2.79 116.67 121.60 1f4h s ASP 572 Ca 0.40 1.01 -0.02 0.00 0.18 0.00 0.00 52.55 54.13 1f4h s ASP 572 Cb -0.01 -2.34 0.14 0.00 1.07 0.00 0.00 42.92 41.79 1f4h s ASP 572 CO 0.23 -0.01 2.21 0.00 1.18 0.00 0.00 175.17 178.79 1f4h n GLN 573 N 3.46 1.82 -3.06 8.23 6.02 0.23 -4.12 117.38 129.96 1f4h n GLN 573 Ca -0.05 -1.49 -0.38 0.00 -0.01 0.00 0.00 57.00 55.07 1f4h n GLN 573 Cb 0.51 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 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 0.49 7.21 0.10 1.08 1.04 -1.26 -4.85 113.70 117.51 1f4h s SER 574 Ca 0.34 1.51 0.10 0.00 0.48 0.00 0.00 55.95 58.38 1f4h s SER 574 Cb 0.24 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 1f4h s SER 574 CO -0.04 0.13 -0.26 -0.76 0.98 0.00 0.00 173.24 173.30 1f4h s LEU 575 N -1.52 2.29 0.18 2.42 1.43 0.01 -4.23 118.68 119.27 1f4h s LEU 575 Ca 0.38 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 1f4h s LEU 575 Cb -0.20 -1.27 -0.08 0.00 0.03 0.00 0.00 46.19 44.68 1f4h s LEU 575 CO 0.23 0.21 0.88 -0.63 0.23 0.00 0.00 176.35 177.27 1f4h s ILE 576 N -0.97 4.28 0.03 -0.59 1.01 0.61 -0.06 121.20 125.51 1f4h s ILE 576 Ca 0.13 1.93 0.03 0.00 0.00 0.00 0.00 60.65 62.74 1f4h s ILE 576 Cb -0.10 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 1f4h s ILE 576 CO 0.05 0.47 -0.08 -0.54 0.00 0.00 0.00 174.94 174.84 1f4h s LYS 577 N -0.91 0.58 -0.10 2.79 1.02 -0.37 -4.89 119.74 117.86 1f4h s LYS 577 Ca 0.40 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.82 1f4h s LYS 577 Cb -0.24 -0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 36.59 1f4h s LYS 577 CO 0.29 0.11 -0.16 0.71 -0.92 0.00 0.00 175.35 175.38 1f4h s TYR 578 N -0.90 2.71 0.00 3.18 1.51 -1.25 0.52 117.35 123.12 1f4h s TYR 578 Ca -0.04 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1f4h s TYR 578 Cb -0.07 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1f4h s TYR 578 CO 0.00 -0.13 0.00 -0.40 -1.11 0.00 0.00 175.55 173.92 1f4h n ASP 579 N 3.14 0.00 0.00 2.29 5.68 0.12 -4.87 116.55 122.91 1f4h n ASP 579 Ca -0.18 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.23 1f4h n ASP 579 Cb 0.52 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.09 1f4h n ASP 579 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1f4h n GLU 580 N 0.00 0.32 0.00 0.11 0.28 -1.26 -3.55 120.64 116.53 1f4h n GLU 580 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1f4h n GLU 580 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1f4h n GLU 580 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1f4h n ASN 581 N -1.30 1.19 0.00 -1.84 3.02 -1.26 -4.96 115.26 110.11 1f4h n ASN 581 Ca 0.11 -1.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1f4h n ASN 581 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1f4h n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f4h n GLY 582 N -0.20 0.63 3.76 7.41 0.00 -1.23 -5.03 105.19 110.53 1f4h n GLY 582 Ca 0.00 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.15 7.45 0.60 1.61 0.01 -1.26 -4.83 114.94 116.36 1f4h s ASN 583 Ca 0.00 1.72 -0.02 0.00 -0.71 0.00 0.00 52.86 53.85 1f4h s ASN 583 Cb 0.00 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 39.16 1f4h s ASN 583 CO 0.00 0.11 0.86 -2.84 -1.51 0.00 0.00 177.10 173.72 1f4h s PRO 584 N -0.76 2.44 -0.24 -0.60 0.02 -1.26 0.14 135.00 134.74 1f4h s PRO 584 Ca 0.40 -0.58 -0.29 0.00 0.02 0.00 0.00 61.00 60.54 1f4h s PRO 584 Cb -0.23 -2.38 0.17 0.00 0.02 0.00 0.00 34.50 32.08 1f4h s PRO 584 CO 0.28 -0.89 1.22 1.67 -0.33 0.00 0.00 177.00 178.95 1f4h s TRP 585 N -2.93 -0.17 -0.22 6.54 1.48 0.18 -4.85 118.94 118.97 1f4h s TRP 585 Ca 0.58 0.29 -0.29 0.00 -1.06 0.00 0.00 56.10 55.62 1f4h s TRP 585 Cb -0.10 0.48 0.01 0.00 -1.16 0.00 0.00 33.47 32.69 1f4h s TRP 585 CO 0.41 -0.15 1.01 -1.12 -4.06 0.00 0.00 176.95 173.04 1f4h s SER 586 N -1.02 7.08 0.03 -2.66 0.01 -1.26 -1.24 113.70 114.64 1f4h s SER 586 Ca 0.05 1.35 -0.06 0.00 1.31 0.00 0.00 55.95 58.60 1f4h s SER 586 Cb -0.01 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1f4h s SER 586 CO -0.04 -0.64 0.29 0.00 0.41 0.00 0.00 173.24 173.25 1f4h s ALA 587 N 3.08 3.84 0.00 1.44 0.00 0.92 -4.94 121.76 126.10 1f4h s ALA 587 Ca 0.43 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1f4h s ALA 587 Cb -0.15 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1f4h s ALA 587 CO 0.07 0.66 0.00 2.48 0.00 0.00 0.00 175.76 178.97 1f4h n TYR 588 N 0.93 -0.18 -1.29 0.00 0.18 -1.26 -0.81 117.16 114.74 1f4h n TYR 588 Ca -0.10 0.00 -0.51 0.00 1.88 0.00 0.00 57.90 59.18 1f4h n TYR 588 Cb 0.53 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.41 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 -0.09 2.69 -7.48 0.00 -1.07 0.13 105.19 99.37 1f4h n GLY 589 Ca 0.00 0.69 -0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 1.94 0.18 0.00 -0.02 0.00 -1.26 -4.36 105.19 101.67 1f4h n GLY 590 Ca 0.19 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.69 0.00 -0.91 1.61 8.00 0.35 -2.94 116.55 121.98 1f4h n ASP 591 Ca -0.00 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1f4h n ASP 591 Cb 0.35 -0.43 0.20 0.00 -0.02 0.00 0.00 41.12 41.23 1f4h n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1f4h n PHE 592 N -1.43 0.60 -1.48 1.24 3.01 -1.26 -4.91 117.46 113.23 1f4h n PHE 592 Ca 0.09 -1.55 -0.16 0.00 1.01 0.00 0.00 57.45 56.83 1f4h n PHE 592 Cb 0.28 -0.38 -0.07 0.00 -0.01 0.00 0.00 39.48 39.30 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 -1.12 1.54 3.71 1.37 0.00 -1.15 -4.77 105.19 104.75 1f4h n GLY 593 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1f4h n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1f4h s ASP 594 N -2.38 6.92 -0.01 1.61 -4.77 -1.26 -5.04 116.67 111.75 1f4h s ASP 594 Ca 0.00 2.14 -0.02 0.00 -3.30 0.00 0.00 52.55 51.38 1f4h s ASP 594 Cb 0.00 -2.58 -0.00 0.00 -1.09 0.00 0.00 42.92 39.25 1f4h s ASP 594 CO 0.00 -0.61 0.04 -0.89 0.70 0.00 0.00 175.17 174.40 1f4h s THR 595 N 1.52 0.03 0.72 2.11 2.01 -1.26 -4.18 115.64 116.59 1f4h s THR 595 Ca 0.62 -0.27 -0.11 0.00 0.31 0.00 0.00 61.69 62.24 1f4h s THR 595 Cb -0.32 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.06 1f4h s THR 595 CO 0.28 -0.15 1.07 -2.16 -0.69 0.00 0.00 174.62 172.98 1f4h s PRO 596 N -0.44 2.73 -0.01 4.92 0.04 -1.26 -5.02 135.00 135.96 1f4h s PRO 596 Ca -0.05 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 61.66 1f4h s PRO 596 Cb -0.03 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1f4h s PRO 596 CO -0.00 -1.19 0.18 0.54 0.04 0.00 0.00 177.00 176.56 1f4h s ASN 597 N -3.96 -0.03 -0.44 6.66 4.22 -1.26 -4.41 114.94 115.71 1f4h s ASN 597 Ca 0.59 -0.11 0.04 0.00 -2.14 0.00 0.00 52.86 51.24 1f4h s ASN 597 Cb -0.13 0.24 0.52 0.00 1.28 0.00 0.00 41.25 43.16 1f4h s ASN 597 CO 0.54 -0.37 1.69 0.47 -2.04 0.00 0.00 177.10 177.39 1f4h n ASP 598 N 1.51 4.69 0.00 3.54 9.92 -0.62 -4.91 116.55 130.68 1f4h n ASP 598 Ca -0.22 -3.75 0.00 0.00 -0.53 0.00 0.00 54.79 50.29 1f4h n ASP 598 Cb 0.56 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1f4h n ASP 598 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1f4h n ARG 599 N -1.00 0.00 0.25 -1.24 1.74 -1.26 -1.00 116.66 114.15 1f4h n ARG 599 Ca 0.50 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.75 1f4h n ARG 599 Cb 1.06 0.00 0.91 0.00 -1.02 0.00 0.00 32.46 33.41 1f4h n ARG 599 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1f4h h GLN 600 N 0.00 0.00 0.00 5.56 7.50 -1.95 -2.83 115.11 123.39 1f4h h GLN 600 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1f4h h GLN 600 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1f4h h GLN 600 CO 0.00 0.00 0.00 1.19 -1.50 0.00 0.00 178.83 178.52 1f4h n PHE 601 N -3.58 0.00 0.66 2.96 3.01 -0.17 0.88 117.46 121.21 1f4h n PHE 601 Ca -0.00 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.56 1f4h n PHE 601 Cb 0.26 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.84 1f4h n PHE 601 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1f4h n MET 603 N 1.19 2.79 -0.34 0.00 2.81 0.25 0.78 117.12 124.60 1f4h n MET 603 Ca 0.13 -4.70 0.08 0.00 -1.81 0.00 0.00 57.70 51.40 1f4h n MET 603 Cb 0.52 -2.27 0.22 0.00 -0.71 0.00 0.00 33.22 30.98 1f4h n MET 603 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1f4h n ASN 604 N 0.70 3.49 -4.84 7.83 3.02 -1.26 -3.38 115.26 120.81 1f4h n ASN 604 Ca 0.30 -2.83 -0.31 0.00 -0.03 0.00 0.00 54.58 51.71 1f4h n ASN 604 Cb 0.40 -0.46 0.04 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.86 1.66 0.30 7.41 0.00 -1.12 -1.40 107.32 112.31 1f4h s GLY 605 Ca 0.36 -0.00 0.23 0.00 0.00 0.00 0.00 44.72 45.32 1f4h s GLY 605 CO 0.09 0.30 1.43 1.41 0.00 0.00 0.00 173.10 176.32 1f4h h LEU 606 N -0.59 0.00 -8.36 0.66 3.38 0.12 -3.45 115.31 107.07 1f4h h LEU 606 Ca -0.44 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.22 1f4h h LEU 606 Cb 1.21 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.78 1f4h h LEU 606 CO 0.59 0.01 -0.72 0.68 0.09 0.00 0.00 178.44 179.09 1f4h s VAL 607 N -3.24 0.75 0.64 1.22 -7.23 -0.51 0.19 120.40 112.22 1f4h s VAL 607 Ca 0.05 -1.54 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 1f4h s VAL 607 Cb 0.08 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 1f4h s VAL 607 CO 0.70 -0.59 1.07 -0.36 -0.31 0.00 0.00 175.10 175.62 1f4h s PHE 608 N -2.42 2.90 0.48 2.82 0.40 0.43 -2.10 117.98 120.50 1f4h s PHE 608 Ca 0.02 1.51 0.30 0.00 -0.60 0.00 0.00 56.93 58.16 1f4h s PHE 608 Cb -0.03 -3.02 1.38 0.00 0.51 0.00 0.00 43.02 41.86 1f4h s PHE 608 CO -0.01 -1.31 1.78 0.00 0.70 0.00 0.00 175.22 176.38 1f4h h ALA 609 N 0.04 2.78 0.00 5.36 0.00 -1.88 1.85 119.26 127.41 1f4h h ALA 609 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1f4h h ALA 609 Cb 1.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1f4h h ALA 609 CO 0.56 -1.16 0.00 -0.40 0.00 0.00 0.00 179.25 178.25 1f4h n ASP 610 N -4.38 0.00 -0.83 0.00 3.85 -1.26 -4.63 116.55 109.30 1f4h n ASP 610 Ca 0.27 -1.51 -0.06 0.00 -0.71 0.00 0.00 54.79 52.77 1f4h n ASP 610 Cb 1.13 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.91 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 -0.66 -0.87 -3.83 0.11 3.00 0.63 -5.04 116.66 110.00 1f4h n ARG 611 Ca 0.07 0.27 -0.36 0.00 -0.01 0.00 0.00 57.85 57.83 1f4h n ARG 611 Cb 0.03 -3.96 -0.10 0.00 0.00 0.00 0.00 32.46 28.44 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 -2.48 4.99 0.27 0.55 -4.23 -1.16 -4.73 115.64 108.86 1f4h s THR 612 Ca 0.04 0.05 -0.29 0.00 -1.18 0.00 0.00 61.69 60.31 1f4h s THR 612 Cb -0.02 -3.29 -0.14 0.00 1.34 0.00 0.00 72.50 70.39 1f4h s THR 612 CO 0.05 0.40 1.04 -2.65 -0.54 0.00 0.00 174.62 172.91 1f4h n PRO 613 N 3.99 1.34 -3.38 3.99 -0.02 -1.26 0.16 135.00 139.81 1f4h n PRO 613 Ca -0.16 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 1f4h n PRO 613 Cb 0.52 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 32.08 1f4h n PRO 613 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1f4h s HIS 614 N -0.91 3.65 0.60 6.00 3.76 0.13 -4.75 115.29 123.77 1f4h s HIS 614 Ca 0.61 1.06 0.29 0.00 -0.15 0.00 0.00 55.06 56.86 1f4h s HIS 614 Cb -0.72 -2.36 1.51 0.00 1.11 0.00 0.00 32.58 32.12 1f4h s HIS 614 CO 0.59 0.49 1.91 -1.35 -0.85 0.00 0.00 174.74 175.53 1f4h h PRO 615 N 3.84 0.00 0.00 8.40 0.10 -1.94 0.77 132.00 143.17 1f4h h PRO 615 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1f4h h PRO 615 Cb 1.20 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.30 1f4h h PRO 615 CO 0.65 0.00 0.00 0.00 0.10 0.00 0.00 178.00 178.75 1f4h n ALA 616 N -2.27 1.28 0.31 -0.75 0.00 -1.26 -1.94 120.51 115.88 1f4h n ALA 616 Ca 0.06 0.16 0.19 0.00 0.00 0.00 0.00 53.44 53.85 1f4h n ALA 616 Cb 0.59 -1.35 1.04 0.00 0.00 0.00 0.00 19.45 19.74 1f4h n ALA 616 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1f4h h LEU 617 N 0.00 0.00 0.19 0.00 5.85 -1.05 -2.68 115.31 117.62 1f4h h LEU 617 Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1f4h h LEU 617 Cb 0.14 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.19 1f4h h LEU 617 CO 0.00 0.00 -1.37 0.74 -0.34 0.00 0.00 178.44 177.47 1f4h h THR 618 N 0.00 1.22 -0.10 1.05 2.02 -1.60 -2.07 112.91 113.43 1f4h h THR 618 Ca 0.01 -2.57 -0.01 0.00 0.77 0.00 0.00 66.41 64.62 1f4h h THR 618 Cb 0.11 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1f4h h THR 618 CO -0.00 0.78 0.04 -0.08 0.37 0.00 0.00 175.52 176.63 1f4h h GLU 619 N -0.07 0.14 0.14 6.66 4.57 -1.70 -0.32 114.58 124.00 1f4h h GLU 619 Ca -0.26 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 1f4h h GLU 619 Cb 1.96 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.52 1f4h h GLU 619 CO 0.19 0.12 -0.07 0.00 -1.18 0.00 0.00 179.01 178.07 1f4h h ALA 620 N 1.91 -0.78 -0.99 2.92 0.00 -1.47 -1.63 119.26 119.22 1f4h h ALA 620 Ca 0.04 -0.04 0.28 0.00 0.00 0.00 0.00 54.91 55.19 1f4h h ALA 620 Cb 0.03 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 17.71 1f4h h ALA 620 CO -0.00 -0.76 0.06 1.17 0.00 0.00 0.00 179.25 179.71 1f4h n LYS 621 N -2.65 -0.08 0.18 0.00 4.81 -0.78 -0.27 118.16 119.37 1f4h n LYS 621 Ca -0.02 1.47 -0.13 0.00 -0.87 0.00 0.00 58.31 58.76 1f4h n LYS 621 Cb 0.07 -2.36 -0.08 0.00 0.02 0.00 0.00 35.03 32.69 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 -0.45 -0.85 5.64 2.76 -1.09 -2.57 115.15 118.59 1f4h h HIS 622 Ca 0.62 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.91 1f4h h HIS 622 Cb 1.31 0.15 -0.09 0.00 1.55 0.00 0.00 27.41 30.33 1f4h h HIS 622 CO -0.46 -0.11 0.46 1.96 -1.30 0.00 0.00 177.93 178.47 1f4h h GLN 623 N -0.87 0.66 0.00 5.26 1.08 -0.29 0.10 115.11 121.06 1f4h h GLN 623 Ca -0.05 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1f4h h GLN 623 Cb 0.53 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1f4h h GLN 623 CO 0.08 0.44 0.00 1.04 -0.95 0.00 0.00 178.83 179.44 1f4h n GLN 624 N -4.83 0.74 -0.97 1.46 6.02 0.63 -4.94 117.38 115.50 1f4h n GLN 624 Ca 0.17 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.83 1f4h n GLN 624 Cb 0.40 -1.22 0.14 0.00 1.02 0.00 0.00 30.24 30.58 1f4h n GLN 624 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1f4h s GLN 625 N -2.00 1.44 0.32 -1.09 -2.07 0.36 -4.90 119.66 111.73 1f4h s GLN 625 Ca 0.16 1.62 0.23 0.00 -1.82 0.00 0.00 55.36 55.55 1f4h s GLN 625 Cb 0.07 -1.77 0.34 0.00 -1.09 0.00 0.00 33.01 30.56 1f4h s GLN 625 CO 0.12 -2.33 1.49 0.74 -1.32 0.00 0.00 175.29 173.98 1f4h h PHE 626 N -1.30 0.00 -3.32 9.60 -1.00 -1.91 -3.45 116.94 115.56 1f4h h PHE 626 Ca -0.45 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 59.68 1f4h h PHE 626 Cb 1.28 0.00 -0.26 0.00 3.61 0.00 0.00 35.95 40.58 1f4h h PHE 626 CO 0.49 0.00 -0.75 -0.06 -1.61 0.00 0.00 178.31 176.39 1f4h s PHE 627 N -3.22 2.85 0.04 -0.55 0.40 -1.26 0.91 117.98 117.15 1f4h s PHE 627 Ca 0.06 -0.58 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1f4h s PHE 627 Cb 0.08 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 1f4h s PHE 627 CO 0.69 -0.18 -0.01 -0.65 0.70 0.00 0.00 175.22 175.77 1f4h s GLN 628 N 0.34 2.64 0.07 0.44 -1.52 0.96 -4.89 119.66 117.71 1f4h s GLN 628 Ca -0.10 -0.73 0.06 0.00 -1.95 0.00 0.00 55.36 52.65 1f4h s GLN 628 Cb -0.16 -2.58 -0.03 0.00 -0.22 0.00 0.00 33.01 30.02 1f4h s GLN 628 CO 0.05 0.59 -0.16 -0.06 -0.25 0.00 0.00 175.29 175.45 1f4h s PHE 629 N -1.16 1.41 -0.06 0.91 0.40 -1.25 0.56 117.98 118.79 1f4h s PHE 629 Ca 0.21 -0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 56.10 1f4h s PHE 629 Cb -0.11 -0.80 0.03 0.00 0.51 0.00 0.00 43.02 42.65 1f4h s PHE 629 CO 0.13 0.10 0.02 1.03 0.70 0.00 0.00 175.22 177.20 1f4h s ARG 630 N -1.68 0.36 -0.18 0.44 0.52 0.23 -4.99 118.95 113.65 1f4h s ARG 630 Ca 0.01 0.20 -0.08 0.00 -0.52 0.00 0.00 55.73 55.34 1f4h s ARG 630 Cb -0.10 -0.81 -0.04 0.00 0.52 0.00 0.00 34.95 34.52 1f4h s ARG 630 CO 0.03 -0.31 0.10 -1.17 0.02 0.00 0.00 175.30 173.96 1f4h s LEU 631 N 2.04 4.06 -0.40 2.53 0.20 -1.26 -0.29 118.68 125.55 1f4h s LEU 631 Ca 0.05 0.20 0.02 0.00 0.69 0.00 0.00 54.13 55.09 1f4h s LEU 631 Cb -0.12 -2.03 0.12 0.00 -0.43 0.00 0.00 46.19 43.73 1f4h s LEU 631 CO -0.04 0.21 0.17 -0.55 -0.29 0.00 0.00 176.35 175.85 1f4h s SER 632 N 0.16 4.11 1.15 3.68 0.15 0.10 -5.01 113.70 118.04 1f4h s SER 632 Ca 0.07 -2.38 0.00 0.00 0.70 0.00 0.00 55.95 54.34 1f4h s SER 632 Cb -0.12 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 1f4h s SER 632 CO -0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1f4h n GLY 633 N 3.91 1.61 0.18 9.45 0.00 -1.26 -2.29 105.19 116.79 1f4h n GLY 633 Ca 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 2.79 -4.06 1.61 10.64 -1.26 -4.97 117.38 122.13 1f4h n GLN 634 Ca 0.00 -1.79 -0.32 0.00 -1.83 0.00 0.00 57.00 53.06 1f4h n GLN 634 Cb 0.00 -1.14 -0.06 0.00 -0.86 0.00 0.00 30.24 28.17 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 -1.27 4.79 -0.07 -0.39 2.01 -0.97 0.14 115.64 119.88 1f4h s THR 635 Ca 0.10 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1f4h s THR 635 Cb 0.07 -3.24 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1f4h s THR 635 CO 0.04 0.27 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.55 1f4h s ILE 636 N -1.28 0.73 -0.25 1.82 1.01 0.75 0.01 121.20 123.99 1f4h s ILE 636 Ca 0.26 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 1f4h s ILE 636 Cb -0.12 -0.75 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1f4h s ILE 636 CO 0.18 0.29 0.15 -0.70 0.00 0.00 0.00 174.94 174.85 1f4h s GLU 637 N 1.19 3.98 -0.12 2.79 2.12 0.60 -0.21 118.70 129.06 1f4h s GLU 637 Ca -0.06 -0.31 -0.00 0.00 0.36 0.00 0.00 54.97 54.95 1f4h s GLU 637 Cb -0.14 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.70 1f4h s GLU 637 CO -0.02 -0.03 -0.10 0.08 -0.54 0.00 0.00 175.26 174.66 1f4h s VAL 638 N 1.29 3.36 -0.15 3.70 1.01 -0.37 0.76 120.40 130.01 1f4h s VAL 638 Ca 0.07 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1f4h s VAL 638 Cb -0.14 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1f4h s VAL 638 CO 0.06 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 1f4h s THR 639 N 0.03 1.63 -0.14 3.92 2.01 0.19 -1.06 115.64 122.22 1f4h s THR 639 Ca -0.03 -0.68 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 1f4h s THR 639 Cb -0.14 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1f4h s THR 639 CO 0.04 0.47 0.65 -0.55 -0.69 0.00 0.00 174.62 174.54 1f4h s SER 640 N 1.41 6.82 0.00 3.53 0.15 0.11 -0.03 113.70 125.69 1f4h s SER 640 Ca 0.04 0.99 0.20 0.00 0.70 0.00 0.00 55.95 57.87 1f4h s SER 640 Cb -0.13 -2.37 0.53 0.00 -1.71 0.00 0.00 66.02 62.34 1f4h s SER 640 CO -0.10 -0.20 1.44 -0.62 1.20 0.00 0.00 173.24 174.96 1f4h n GLU 641 N 4.46 2.32 -2.68 5.44 1.02 0.26 -0.93 120.64 130.54 1f4h n GLU 641 Ca -0.01 -2.03 -0.40 0.00 -0.02 0.00 0.00 57.16 54.69 1f4h n GLU 641 Cb 0.50 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.35 3.86 -0.12 -0.32 4.12 -1.26 -4.82 117.35 117.46 1f4h s TYR 642 Ca 0.38 1.84 0.19 0.00 0.02 0.00 0.00 57.07 59.50 1f4h s TYR 642 Cb 0.21 -3.07 -0.26 0.00 -1.52 0.00 0.00 41.96 37.31 1f4h s TYR 642 CO 0.28 0.15 0.35 1.28 0.02 0.00 0.00 175.55 177.62 1f4h n LEU 643 N 1.70 0.14 0.00 -1.29 4.77 -1.26 -0.35 117.00 120.70 1f4h n LEU 643 Ca -0.01 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1f4h n LEU 643 Cb 0.47 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1f4h n LEU 643 CO 0.51 0.25 -0.29 0.49 -1.33 0.00 0.00 177.39 177.02 1f4h n PHE 644 N -2.58 0.00 -4.04 -1.77 3.01 -1.26 -4.85 117.46 105.96 1f4h n PHE 644 Ca -0.18 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.95 1f4h n PHE 644 Cb 0.88 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.29 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 -1.46 3.18 0.31 -1.08 1.70 -1.26 -4.90 118.95 115.45 1f4h s ARG 645 Ca 0.00 -0.43 -0.07 0.00 -0.47 0.00 0.00 55.73 54.76 1f4h s ARG 645 Cb 0.00 -2.94 -0.06 0.00 -0.57 0.00 0.00 34.95 31.39 1f4h s ARG 645 CO 0.00 0.66 0.61 -1.58 -1.08 0.00 0.00 175.30 173.91 1f4h s HIS 646 N -1.23 3.47 -0.88 5.89 5.65 -1.26 -3.40 115.29 123.53 1f4h s HIS 646 Ca 0.24 0.77 -0.25 0.00 0.25 0.00 0.00 55.06 56.07 1f4h s HIS 646 Cb -0.12 -2.21 0.02 0.00 -1.18 0.00 0.00 32.58 29.09 1f4h s HIS 646 CO 0.15 0.11 1.53 -1.54 -0.65 0.00 0.00 174.74 174.34 1f4h s SER 647 N -3.07 6.04 -0.18 9.88 1.04 -0.74 -4.74 113.70 121.93 1f4h s SER 647 Ca 0.46 -0.85 0.16 0.00 0.48 0.00 0.00 55.95 56.20 1f4h s SER 647 Cb -0.11 -2.56 0.44 0.00 0.10 0.00 0.00 66.02 63.90 1f4h s SER 647 CO 0.29 -1.91 1.33 -0.90 0.98 0.00 0.00 173.24 173.04 1f4h n ASP 648 N 10.31 3.02 -2.43 7.02 5.68 -1.26 -4.39 116.55 134.49 1f4h n ASP 648 Ca 0.25 -3.23 -0.02 0.00 -0.50 0.00 0.00 54.79 51.29 1f4h n ASP 648 Cb 0.50 -0.52 0.08 0.00 -1.14 0.00 0.00 41.12 40.03 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 -0.95 -0.45 -4.24 -1.12 5.15 -1.26 -4.99 115.26 107.39 1f4h n ASN 649 Ca 0.21 -2.13 -0.27 0.00 -0.60 0.00 0.00 54.58 51.80 1f4h n ASN 649 Cb 0.82 0.27 -0.15 0.00 -0.53 0.00 0.00 39.78 40.19 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 -0.93 1.61 -0.06 1.20 8.01 -1.25 -3.67 118.70 123.60 1f4h s GLU 650 Ca 0.14 -0.83 -0.04 0.00 0.01 0.00 0.00 54.97 54.25 1f4h s GLU 650 Cb 0.35 -1.62 0.03 0.00 -4.31 0.00 0.00 34.13 28.58 1f4h s GLU 650 CO -0.09 0.43 0.16 -0.51 0.01 0.00 0.00 175.26 175.26 1f4h s LEU 651 N -0.74 1.06 -0.32 1.80 1.02 0.33 -2.94 118.68 118.88 1f4h s LEU 651 Ca 0.08 0.32 -0.04 0.00 0.02 0.00 0.00 54.13 54.51 1f4h s LEU 651 Cb -0.08 0.47 0.05 0.00 0.02 0.00 0.00 46.19 46.64 1f4h s LEU 651 CO 0.00 -0.10 0.05 -0.22 0.02 0.00 0.00 176.35 176.10 1f4h s LEU 652 N 0.62 4.10 0.58 1.79 2.96 0.19 0.37 118.68 129.30 1f4h s LEU 652 Ca -0.04 -1.23 -0.09 0.00 -0.22 0.00 0.00 54.13 52.55 1f4h s LEU 652 Cb -0.06 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1f4h s LEU 652 CO -0.03 -0.29 0.95 -2.28 -1.32 0.00 0.00 176.35 173.37 1f4h s HIS 653 N 1.32 3.54 -0.03 5.38 5.65 -0.33 -1.17 115.29 129.65 1f4h s HIS 653 Ca -0.03 1.05 -0.26 0.00 0.25 0.00 0.00 55.06 56.07 1f4h s HIS 653 Cb -0.20 -2.62 0.05 0.00 -1.18 0.00 0.00 32.58 28.64 1f4h s HIS 653 CO 0.01 -0.62 0.56 1.67 -0.65 0.00 0.00 174.74 175.71 1f4h s TRP 654 N -3.04 -0.50 0.02 3.88 1.48 0.49 -2.60 118.94 118.67 1f4h s TRP 654 Ca 0.53 0.82 -0.18 0.00 -1.06 0.00 0.00 56.10 56.20 1f4h s TRP 654 Cb -0.11 0.32 0.03 0.00 -1.16 0.00 0.00 33.47 32.55 1f4h s TRP 654 CO 0.50 -0.55 0.40 1.41 -4.06 0.00 0.00 176.95 174.65 1f4h s MET 655 N -1.36 0.85 0.09 3.25 -2.45 -0.11 -0.06 119.30 119.52 1f4h s MET 655 Ca -0.11 -0.26 0.10 0.00 -1.25 0.00 0.00 55.69 54.16 1f4h s MET 655 Cb -0.02 0.38 -0.03 0.00 1.25 0.00 0.00 34.83 36.41 1f4h s MET 655 CO 0.07 -0.27 -0.25 0.08 1.05 0.00 0.00 175.02 175.70 1f4h s VAL 656 N -2.02 2.05 -0.30 10.11 1.01 0.24 -1.26 120.40 130.22 1f4h s VAL 656 Ca -0.08 -1.55 -0.15 0.00 0.00 0.00 0.00 61.98 60.20 1f4h s VAL 656 Cb -0.02 -1.80 0.17 0.00 0.00 0.00 0.00 36.38 34.73 1f4h s VAL 656 CO 0.01 0.15 0.99 0.00 0.00 0.00 0.00 175.10 176.25 1f4h s ALA 657 N -0.97 -2.74 0.26 5.51 0.00 -0.58 -1.00 121.76 122.24 1f4h s ALA 657 Ca 0.11 2.02 -0.30 0.00 0.00 0.00 0.00 51.96 53.79 1f4h s ALA 657 Cb -0.10 -2.08 -0.11 0.00 0.00 0.00 0.00 23.12 20.84 1f4h s ALA 657 CO 0.04 -0.98 1.55 -1.17 0.00 0.00 0.00 175.76 175.21 1f4h s LEU 658 N 2.47 4.36 0.00 0.00 2.96 0.17 -3.40 118.68 125.24 1f4h s LEU 658 Ca -0.02 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 1f4h s LEU 658 Cb -0.06 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1f4h s LEU 658 CO -0.17 -0.85 0.00 0.47 -1.32 0.00 0.00 176.35 174.48 1f4h n ASP 659 N 2.53 0.00 0.00 3.68 8.00 -1.04 0.35 116.55 130.08 1f4h n ASP 659 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1f4h n ASP 659 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 -0.54 2.56 3.51 0.44 0.00 -1.25 -4.89 105.19 105.02 1f4h n GLY 660 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.59 3.76 0.41 1.61 3.01 1.10 -4.79 119.74 124.25 1f4h s LYS 661 Ca 0.00 -0.43 -0.26 0.00 -1.01 0.00 0.00 55.97 54.27 1f4h s LYS 661 Cb 0.00 -3.30 -0.09 0.00 -1.01 0.00 0.00 37.83 33.43 1f4h s LYS 661 CO 0.00 -0.04 1.33 -2.14 0.51 0.00 0.00 175.35 175.00 1f4h s PRO 662 N 1.23 3.96 0.00 -1.68 0.02 -1.26 -0.66 135.00 136.61 1f4h s PRO 662 Ca 0.05 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1f4h s PRO 662 Cb -0.14 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1f4h s PRO 662 CO 0.04 -0.52 0.02 1.28 -0.33 0.00 0.00 177.00 177.49 1f4h n LEU 663 N 0.13 0.03 -3.63 -5.54 4.77 -0.17 -4.89 117.00 107.70 1f4h n LEU 663 Ca 0.04 -0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1f4h n LEU 663 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1f4h n LEU 663 CO 0.57 0.01 1.06 0.00 -1.33 0.00 0.00 177.39 177.70 1f4h s ALA 664 N -0.00 -2.11 0.14 -1.18 0.00 -1.19 -4.89 121.76 112.52 1f4h s ALA 664 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1f4h s ALA 664 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1f4h s ALA 664 CO 0.00 -0.20 0.02 -1.12 0.00 0.00 0.00 175.76 174.46 1f4h s SER 665 N -0.56 0.69 0.00 0.00 0.01 -1.25 -0.59 113.70 112.00 1f4h s SER 665 Ca 0.06 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1f4h s SER 665 Cb -0.03 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1f4h s SER 665 CO -0.09 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.52 1f4h n GLY 666 N -0.13 1.26 3.58 3.44 0.00 0.92 -4.90 105.19 109.36 1f4h n GLY 666 Ca -0.07 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1f4h n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f4h s GLU 667 N -0.61 2.77 -0.25 1.61 2.02 -1.26 0.19 118.70 123.16 1f4h s GLU 667 Ca 0.00 -0.55 -0.09 0.00 0.02 0.00 0.00 54.97 54.35 1f4h s GLU 667 Cb 0.00 -2.60 0.11 0.00 0.10 0.00 0.00 34.13 31.74 1f4h s GLU 667 CO 0.00 0.65 0.55 0.08 0.02 0.00 0.00 175.26 176.57 1f4h s VAL 668 N -0.78 -0.72 0.09 2.63 1.01 -0.32 -4.97 120.40 117.33 1f4h s VAL 668 Ca 0.12 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 1f4h s VAL 668 Cb -0.11 -0.85 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1f4h s VAL 668 CO 0.01 0.03 1.57 -2.16 0.00 0.00 0.00 175.10 174.55 1f4h s PRO 669 N 2.59 4.23 -0.06 2.72 0.04 -1.26 0.53 135.00 143.79 1f4h s PRO 669 Ca -0.05 2.26 -0.24 0.00 0.04 0.00 0.00 61.00 63.01 1f4h s PRO 669 Cb -0.11 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1f4h s PRO 669 CO -0.16 -0.65 0.71 -0.51 0.04 0.00 0.00 177.00 176.43 1f4h s LEU 670 N 2.08 4.33 -0.58 -3.56 1.43 -1.15 -4.91 118.68 116.31 1f4h s LEU 670 Ca 0.71 1.21 0.05 0.00 -1.03 0.00 0.00 54.13 55.07 1f4h s LEU 670 Cb -0.39 -3.10 0.20 0.00 0.03 0.00 0.00 46.19 42.93 1f4h s LEU 670 CO 0.31 -0.11 0.52 -0.67 0.23 0.00 0.00 176.35 176.63 1f4h n ASP 671 N 3.72 2.00 -4.19 2.29 2.03 -1.26 -4.63 116.55 116.51 1f4h n ASP 671 Ca -0.01 -3.00 -0.31 0.00 0.52 0.00 0.00 54.79 51.99 1f4h n ASP 671 Cb 0.51 -0.68 -0.17 0.00 -0.72 0.00 0.00 41.12 40.07 1f4h n ASP 671 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1f4h s VAL 672 N -1.30 1.93 0.90 5.18 1.01 -1.26 -4.92 120.40 121.93 1f4h s VAL 672 Ca 0.31 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1f4h s VAL 672 Cb 0.05 -1.68 0.16 0.00 0.00 0.00 0.00 36.38 34.91 1f4h s VAL 672 CO -0.13 0.53 1.25 0.00 0.00 0.00 0.00 175.10 176.75 1f4h s ALA 673 N 0.37 2.48 0.52 5.51 0.00 -1.26 -1.79 121.76 127.59 1f4h s ALA 673 Ca -0.18 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 50.47 1f4h s ALA 673 Cb -0.18 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 1f4h s ALA 673 CO 0.08 -2.13 1.38 -1.25 0.00 0.00 0.00 175.76 173.85 1f4h s PRO 674 N -5.73 3.31 0.00 0.00 0.04 -1.22 -1.01 135.00 130.39 1f4h s PRO 674 Ca 0.70 2.30 0.00 0.00 0.04 0.00 0.00 61.00 64.04 1f4h s PRO 674 Cb -0.06 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1f4h s PRO 674 CO 0.51 -1.08 0.00 1.04 0.04 0.00 0.00 177.00 177.51 1f4h n GLN 675 N -0.76 0.00 -2.64 4.56 1.13 0.52 -4.92 117.38 115.27 1f4h n GLN 675 Ca 0.09 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.92 1f4h n GLN 675 Cb 0.44 -3.90 0.03 0.00 0.11 0.00 0.00 30.24 26.92 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 -2.00 1.71 0.25 1.08 0.00 -0.18 -4.75 107.32 103.43 1f4h s GLY 676 Ca 0.00 -1.13 0.11 0.00 0.00 0.00 0.00 44.72 43.70 1f4h s GLY 676 CO 0.00 -0.86 -0.12 0.54 0.00 0.00 0.00 173.10 172.66 1f4h s LYS 677 N -4.80 1.93 -0.13 2.90 1.02 -1.25 0.10 119.74 119.50 1f4h s LYS 677 Ca 0.55 -1.54 -0.14 0.00 0.02 0.00 0.00 55.97 54.85 1f4h s LYS 677 Cb -0.10 -1.97 0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1f4h s LYS 677 CO 0.40 0.37 0.39 -1.14 -0.92 0.00 0.00 175.35 174.45 1f4h s GLN 678 N -3.35 0.50 -0.07 1.68 0.74 -0.22 -4.75 119.66 114.19 1f4h s GLN 678 Ca 0.29 0.46 -0.05 0.00 0.05 0.00 0.00 55.36 56.11 1f4h s GLN 678 Cb -0.06 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.25 1f4h s GLN 678 CO 0.16 -0.08 0.15 -0.51 -0.55 0.00 0.00 175.29 174.46 1f4h s LEU 679 N 0.00 4.30 -0.09 3.68 1.43 -1.26 -1.23 118.68 125.52 1f4h s LEU 679 Ca -0.02 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1f4h s LEU 679 Cb -0.03 -2.29 0.05 0.00 0.03 0.00 0.00 46.19 43.95 1f4h s LEU 679 CO 0.01 0.34 0.11 -0.63 0.23 0.00 0.00 176.35 176.41 1f4h s ILE 680 N -1.15 -0.18 -0.32 -0.59 1.01 0.70 -4.95 121.20 115.73 1f4h s ILE 680 Ca 0.20 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.02 1f4h s ILE 680 Cb -0.12 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 1f4h s ILE 680 CO 0.10 0.07 0.19 -0.70 0.00 0.00 0.00 174.94 174.61 1f4h s GLU 681 N 2.22 3.52 0.11 2.79 2.12 -1.26 -0.18 118.70 128.03 1f4h s GLU 681 Ca 0.04 -0.61 -0.31 0.00 0.36 0.00 0.00 54.97 54.45 1f4h s GLU 681 Cb -0.13 -3.67 -0.08 0.00 0.26 0.00 0.00 34.13 30.51 1f4h s GLU 681 CO -0.06 -0.38 1.38 -0.51 -0.54 0.00 0.00 175.26 175.15 1f4h s LEU 682 N 1.69 4.37 0.28 2.70 1.43 0.36 -4.92 118.68 124.58 1f4h s LEU 682 Ca 0.06 2.30 -0.29 0.00 -1.03 0.00 0.00 54.13 55.16 1f4h s LEU 682 Cb -0.17 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 1f4h s LEU 682 CO 0.09 -0.64 1.39 -2.84 0.23 0.00 0.00 176.35 174.58 1f4h s PRO 683 N 1.13 4.29 -0.14 1.29 0.02 -1.26 -4.71 135.00 135.62 1f4h s PRO 683 Ca 0.64 2.28 -0.13 0.00 0.02 0.00 0.00 61.00 63.81 1f4h s PRO 683 Cb -0.36 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.01 1f4h s PRO 683 CO 0.30 -0.35 0.48 -1.91 -0.33 0.00 0.00 177.00 175.20 1f4h n GLU 684 N 1.76 0.00 -1.08 5.54 2.13 -1.26 -4.83 120.64 122.90 1f4h n GLU 684 Ca 0.04 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.58 1f4h n GLU 684 Cb 0.41 -0.41 0.19 0.00 0.27 0.00 0.00 31.44 31.89 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 1.07 1.45 0.37 4.31 1.43 -1.26 -5.05 118.68 121.00 1f4h s LEU 685 Ca 0.30 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1f4h s LEU 685 Cb -0.41 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 1f4h s LEU 685 CO 0.21 -3.32 0.58 -2.16 0.23 0.00 0.00 176.35 171.90 1f4h s PRO 686 N -4.90 3.43 -0.13 1.29 0.04 -1.26 -5.10 135.00 128.37 1f4h s PRO 686 Ca 0.66 -0.32 -0.04 0.00 0.04 0.00 0.00 61.00 61.34 1f4h s PRO 686 Cb -0.19 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.78 1f4h s PRO 686 CO 0.59 0.06 0.23 1.14 0.04 0.00 0.00 177.00 179.06 1f4h s GLN 687 N -4.38 0.12 0.12 4.56 -2.07 -1.26 -5.15 119.66 111.59 1f4h s GLN 687 Ca 0.42 0.63 0.06 0.00 -1.82 0.00 0.00 55.36 54.64 1f4h s GLN 687 Cb -0.10 -0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 31.53 1f4h s GLN 687 CO 0.37 -0.34 -0.02 -1.25 -1.32 0.00 0.00 175.29 172.73 1f4h s PRO 688 N 2.37 2.42 0.10 9.60 0.04 -1.26 -5.02 135.00 143.25 1f4h s PRO 688 Ca 0.03 -0.96 -0.11 0.00 0.04 0.00 0.00 61.00 60.00 1f4h s PRO 688 Cb -0.12 -2.44 -0.18 0.00 0.04 0.00 0.00 34.50 31.80 1f4h s PRO 688 CO -0.08 0.51 1.25 0.93 0.04 0.00 0.00 177.00 179.64 1f4h h GLU 689 N 3.23 0.65 -2.16 4.56 4.39 -2.02 -3.46 114.58 119.77 1f4h h GLU 689 Ca -0.48 -0.65 -0.27 0.00 0.34 0.00 0.00 59.36 58.30 1f4h h GLU 689 Cb 1.18 0.18 0.02 0.00 -0.10 0.00 0.00 28.75 30.03 1f4h h GLU 689 CO 0.58 1.25 -0.04 0.43 -1.16 0.00 0.00 179.01 180.07 1f4h n SER 690 N -3.84 -0.13 -4.50 1.42 7.64 -1.26 -4.87 113.62 108.07 1f4h n SER 690 Ca -0.09 0.41 -0.29 0.00 1.01 0.00 0.00 58.87 59.91 1f4h n SER 690 Cb 0.84 -0.33 0.24 0.00 -1.01 0.00 0.00 64.21 63.95 1f4h n SER 690 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f4h n ALA 691 N 0.38 -2.60 0.00 -0.43 0.00 -1.26 -4.78 120.51 111.82 1f4h n ALA 691 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1f4h n ALA 691 Cb 0.05 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1f4h n ALA 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f4h n GLY 692 N 0.91 1.48 3.59 0.00 0.00 -0.02 -4.88 105.19 106.27 1f4h n GLY 692 Ca 0.04 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 1f4h n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f4h s GLN 693 N -1.39 3.34 -0.11 1.61 0.74 -1.26 -1.40 119.66 121.18 1f4h s GLN 693 Ca 0.00 -0.46 -0.15 0.00 0.05 0.00 0.00 55.36 54.80 1f4h s GLN 693 Cb 0.00 -2.86 -0.05 0.00 1.10 0.00 0.00 33.01 31.20 1f4h s GLN 693 CO 0.00 0.47 0.36 -1.17 -0.55 0.00 0.00 175.29 174.39 1f4h s LEU 694 N -0.24 4.31 -0.07 3.68 2.96 0.16 -2.49 118.68 126.98 1f4h s LEU 694 Ca 0.05 0.68 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 1f4h s LEU 694 Cb -0.13 -2.48 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1f4h s LEU 694 CO 0.02 0.14 -0.12 0.26 -1.32 0.00 0.00 176.35 175.33 1f4h s TRP 695 N 0.10 1.50 -0.15 5.38 0.52 -1.22 0.16 118.94 125.24 1f4h s TRP 695 Ca 0.20 -0.57 -0.06 0.00 0.02 0.00 0.00 56.10 55.69 1f4h s TRP 695 Cb -0.14 -1.10 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 1f4h s TRP 695 CO 0.07 -0.30 0.05 -1.17 0.02 0.00 0.00 176.95 175.63 1f4h s LEU 696 N 0.72 3.80 0.01 2.99 2.96 0.62 -1.53 118.68 128.26 1f4h s LEU 696 Ca -0.13 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1f4h s LEU 696 Cb -0.16 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1f4h s LEU 696 CO 0.03 0.25 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.34 1f4h s THR 697 N -0.09 0.63 0.11 3.68 2.01 -0.39 -1.17 115.64 120.43 1f4h s THR 697 Ca 0.06 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1f4h s THR 697 Cb -0.12 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1f4h s THR 697 CO 0.01 0.04 -0.09 0.68 -0.69 0.00 0.00 174.62 174.57 1f4h s VAL 698 N -0.48 0.96 -0.03 3.82 -7.23 -0.52 -0.93 120.40 115.99 1f4h s VAL 698 Ca 0.00 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1f4h s VAL 698 Cb -0.05 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1f4h s VAL 698 CO 0.00 -0.70 0.18 -0.13 -0.31 0.00 0.00 175.10 174.14 1f4h s ARG 699 N -3.35 0.40 -0.23 4.82 0.52 -1.07 -2.51 118.95 117.53 1f4h s ARG 699 Ca 0.11 -0.12 -0.08 0.00 -0.52 0.00 0.00 55.73 55.12 1f4h s ARG 699 Cb 0.01 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 1f4h s ARG 699 CO -0.01 -0.09 0.09 0.08 0.02 0.00 0.00 175.30 175.39 1f4h s VAL 700 N -0.79 4.67 -0.01 3.52 1.01 0.30 -1.18 120.40 127.92 1f4h s VAL 700 Ca -0.09 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1f4h s VAL 700 Cb -0.05 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1f4h s VAL 700 CO 0.01 0.37 -0.23 -0.69 0.00 0.00 0.00 175.10 174.56 1f4h s VAL 701 N 1.17 2.37 -0.92 2.92 1.01 1.19 -1.17 120.40 126.97 1f4h s VAL 701 Ca 0.05 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 1f4h s VAL 701 Cb -0.14 -1.88 0.17 0.00 0.00 0.00 0.00 36.38 34.53 1f4h s VAL 701 CO 0.04 0.53 1.01 -1.10 0.00 0.00 0.00 175.10 175.58 1f4h s GLN 702 N -0.80 3.66 0.14 2.72 -0.21 -0.67 0.12 119.66 124.61 1f4h s GLN 702 Ca 0.11 -2.12 -0.25 0.00 0.02 0.00 0.00 55.36 53.12 1f4h s GLN 702 Cb -0.10 -4.73 -0.02 0.00 1.00 0.00 0.00 33.01 29.16 1f4h s GLN 702 CO 0.00 -1.58 1.62 -1.00 -2.12 0.00 0.00 175.29 172.22 1f4h h PRO 703 N 8.26 -0.34 -6.39 2.91 0.14 -1.88 0.74 132.00 135.43 1f4h h PRO 703 Ca 0.15 0.02 -0.53 0.00 0.14 0.00 0.00 66.00 65.78 1f4h h PRO 703 Cb 1.02 0.08 -0.02 0.00 0.14 0.00 0.00 31.00 32.21 1f4h h PRO 703 CO 0.98 -0.23 -0.19 -0.80 0.14 0.00 0.00 178.00 177.90 1f4h s ASN 704 N -4.94 6.47 0.27 1.44 -0.87 -1.26 -3.28 114.94 112.77 1f4h s ASN 704 Ca -0.15 0.68 -0.29 0.00 -1.57 0.00 0.00 52.86 51.53 1f4h s ASN 704 Cb 0.10 -2.13 -0.09 0.00 -0.02 0.00 0.00 41.25 39.11 1f4h s ASN 704 CO 0.66 -0.11 0.98 0.00 -2.57 0.00 0.00 177.10 176.06 1f4h s ALA 705 N -1.94 3.32 0.00 0.60 0.00 -1.26 -4.57 121.76 117.92 1f4h s ALA 705 Ca 0.43 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1f4h s ALA 705 Cb -0.11 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1f4h s ALA 705 CO 0.27 0.10 0.00 0.25 0.00 0.00 0.00 175.76 176.38 1f4h n THR 706 N 1.21 0.00 0.17 0.00 -2.24 -0.77 -4.91 114.28 107.74 1f4h n THR 706 Ca -0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 1f4h n THR 706 Cb 0.47 -0.39 0.27 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.76 0.95 -0.08 6.98 0.00 -1.98 -3.26 119.26 122.64 1f4h h ALA 707 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1f4h h ALA 707 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1f4h h ALA 707 CO 0.00 0.57 0.00 -2.67 0.00 0.00 0.00 179.25 177.15 1f4h n TRP 708 N -3.57 0.10 -3.89 0.00 4.27 -1.26 -4.99 117.44 108.11 1f4h n TRP 708 Ca -0.00 -0.29 -0.11 0.00 -3.89 0.00 0.00 57.50 53.21 1f4h n TRP 708 Cb 0.56 -0.02 -0.12 0.00 -1.36 0.00 0.00 31.31 30.36 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 -0.73 0.03 0.92 -0.67 1.04 -1.23 -4.51 113.70 108.55 1f4h s SER 709 Ca 0.07 -0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 1f4h s SER 709 Cb 0.04 0.15 0.14 0.00 0.10 0.00 0.00 66.02 66.45 1f4h s SER 709 CO 0.06 -0.17 1.10 -1.61 0.98 0.00 0.00 173.24 173.61 1f4h s GLU 710 N -0.64 1.05 0.32 4.02 0.41 -1.26 -1.85 118.70 120.76 1f4h s GLU 710 Ca -0.07 0.57 -0.28 0.00 -0.41 0.00 0.00 54.97 54.78 1f4h s GLU 710 Cb -0.04 -1.81 -0.09 0.00 -1.78 0.00 0.00 34.13 30.41 1f4h s GLU 710 CO 0.00 -2.32 1.13 0.00 -0.49 0.00 0.00 175.26 173.59 1f4h s ALA 711 N -3.05 3.33 0.00 5.21 0.00 -1.26 -3.62 121.76 122.37 1f4h s ALA 711 Ca 0.64 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1f4h s ALA 711 Cb -0.17 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1f4h s ALA 711 CO 0.56 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1f4h n GLY 712 N 0.93 0.69 3.73 0.00 0.00 0.26 -4.89 105.19 105.91 1f4h n GLY 712 Ca 0.01 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 3.77 -0.29 1.61 2.46 -1.21 -4.79 115.29 114.84 1f4h s HIS 713 Ca 0.00 1.76 -0.23 0.00 0.47 0.00 0.00 55.06 57.06 1f4h s HIS 713 Cb 0.00 -3.11 -0.00 0.00 -0.13 0.00 0.00 32.58 29.34 1f4h s HIS 713 CO 0.00 0.02 0.74 0.42 -2.47 0.00 0.00 174.74 173.45 1f4h s ILE 714 N -0.18 4.85 -1.95 0.89 1.01 -1.26 -1.66 121.20 122.90 1f4h s ILE 714 Ca 0.47 1.17 0.24 0.00 0.00 0.00 0.00 60.65 62.53 1f4h s ILE 714 Cb -0.25 -4.08 0.06 0.00 0.01 0.00 0.00 42.46 38.20 1f4h s ILE 714 CO 0.31 -0.16 1.22 -1.54 0.00 0.00 0.00 174.94 174.77 1f4h n SER 715 N 6.05 1.74 0.00 3.58 3.41 -0.31 -5.01 113.62 123.08 1f4h n SER 715 Ca 0.02 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1f4h n SER 715 Cb 0.48 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 1f4h n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4h n ALA 716 N -0.21 0.00 -3.61 7.33 0.00 -1.25 -4.67 120.51 118.10 1f4h n ALA 716 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 1f4h n ALA 716 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 1f4h n ALA 716 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1f4h s TRP 717 N -2.00 -0.12 0.06 0.00 -2.14 -1.26 0.11 118.94 113.59 1f4h s TRP 717 Ca 0.00 0.01 -0.24 0.00 2.66 0.00 0.00 56.10 58.53 1f4h s TRP 717 Cb 0.00 0.55 0.06 0.00 -3.10 0.00 0.00 33.47 30.98 1f4h s TRP 717 CO 0.00 -0.36 0.58 -1.14 -2.66 0.00 0.00 176.95 173.37 1f4h s GLN 718 N -2.63 1.12 -0.14 3.25 2.00 -1.04 -5.00 119.66 117.22 1f4h s GLN 718 Ca 0.11 -0.22 -0.17 0.00 -2.00 0.00 0.00 55.36 53.09 1f4h s GLN 718 Cb 0.01 0.52 0.04 0.00 0.80 0.00 0.00 33.01 34.38 1f4h s GLN 718 CO -0.04 -0.42 0.45 -1.14 -0.50 0.00 0.00 175.29 173.63 1f4h s GLN 719 N -2.63 0.58 0.16 1.67 0.74 -1.26 -1.43 119.66 117.48 1f4h s GLN 719 Ca -0.04 0.50 0.08 0.00 0.05 0.00 0.00 55.36 55.95 1f4h s GLN 719 Cb -0.01 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.34 1f4h s GLN 719 CO -0.03 -0.09 -0.17 -1.58 -0.55 0.00 0.00 175.29 172.87 1f4h s TRP 720 N -0.05 1.70 -0.24 1.67 0.51 -0.31 -5.00 118.94 117.21 1f4h s TRP 720 Ca -0.02 -0.51 -0.11 0.00 -2.12 0.00 0.00 56.10 53.34 1f4h s TRP 720 Cb -0.03 -0.85 -0.05 0.00 -0.81 0.00 0.00 33.47 31.73 1f4h s TRP 720 CO 0.02 0.28 0.16 0.50 -0.51 0.00 0.00 176.95 177.40 1f4h s ARG 721 N -2.87 4.05 -0.06 4.98 3.52 -1.26 -0.28 118.95 127.03 1f4h s ARG 721 Ca 0.15 -0.28 -0.09 0.00 -0.13 0.00 0.00 55.73 55.38 1f4h s ARG 721 Cb -0.05 -3.55 -0.30 0.00 -1.56 0.00 0.00 34.95 29.49 1f4h s ARG 721 CO 0.06 0.03 0.62 -0.07 -0.81 0.00 0.00 175.30 175.13 1f4h h LEU 722 N 7.63 0.56 -7.95 -0.88 3.38 0.13 -3.48 115.31 114.70 1f4h h LEU 722 Ca -0.38 -0.90 0.06 0.00 0.09 0.00 0.00 57.88 56.76 1f4h h LEU 722 Cb 1.17 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1f4h h LEU 722 CO 0.64 1.77 0.31 0.00 0.09 0.00 0.00 178.44 181.25 1f4h s ALA 723 N -2.58 -1.15 -0.16 1.53 0.00 -0.90 -4.89 121.76 113.60 1f4h s ALA 723 Ca -0.17 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 1f4h s ALA 723 Cb 0.06 0.75 0.07 0.00 0.00 0.00 0.00 23.12 24.00 1f4h s ALA 723 CO 0.84 -1.03 0.36 -2.00 0.00 0.00 0.00 175.76 173.93 1f4h s GLU 724 N -3.15 0.28 -0.29 0.00 2.12 -1.26 0.35 118.70 116.75 1f4h s GLU 724 Ca 0.14 0.85 -0.01 0.00 0.36 0.00 0.00 54.97 56.30 1f4h s GLU 724 Cb -0.05 0.10 0.05 0.00 0.26 0.00 0.00 34.13 34.49 1f4h s GLU 724 CO 0.08 -0.23 -0.02 -0.80 -0.54 0.00 0.00 175.26 173.75 1f4h s ASN 725 N 2.11 4.78 0.66 -1.70 0.01 -0.50 -5.02 114.94 115.28 1f4h s ASN 725 Ca -0.04 -1.24 -0.14 0.00 -0.71 0.00 0.00 52.86 50.73 1f4h s ASN 725 Cb -0.11 -1.69 -0.00 0.00 0.41 0.00 0.00 41.25 39.86 1f4h s ASN 725 CO -0.11 -0.24 1.09 -0.76 -1.51 0.00 0.00 177.10 175.57 1f4h s LEU 726 N 1.24 3.36 -0.43 0.60 1.43 -1.26 -0.84 118.68 122.78 1f4h s LEU 726 Ca -0.05 1.91 -0.19 0.00 -1.03 0.00 0.00 54.13 54.77 1f4h s LEU 726 Cb -0.19 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.51 1f4h s LEU 726 CO -0.02 -1.55 0.52 -0.55 0.23 0.00 0.00 176.35 174.98 1f4h s SER 727 N -2.81 6.24 0.04 2.29 0.15 -1.26 -4.82 113.70 113.53 1f4h s SER 727 Ca 0.65 -0.59 -0.13 0.00 0.70 0.00 0.00 55.95 56.57 1f4h s SER 727 Cb -0.19 -2.26 -0.34 0.00 -1.71 0.00 0.00 66.02 61.52 1f4h s SER 727 CO 0.43 -0.67 1.01 0.58 1.20 0.00 0.00 173.24 175.79 1f4h h VAL 728 N 5.79 1.31 -2.57 4.45 2.07 -2.02 -3.47 116.25 121.81 1f4h h VAL 728 Ca -0.26 -2.77 -0.60 0.00 0.82 0.00 0.00 66.70 63.90 1f4h h VAL 728 Cb 1.10 3.02 0.09 0.00 -1.52 0.00 0.00 31.29 33.98 1f4h h VAL 728 CO 0.84 0.83 0.46 0.35 0.02 0.00 0.00 177.57 180.07 1f4h n THR 729 N -3.68 1.22 -3.19 2.57 -2.24 -1.26 -5.02 114.28 102.68 1f4h n THR 729 Ca -0.16 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 61.09 1f4h n THR 729 Cb 1.09 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1f4h n THR 729 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1f4h s LEU 730 N 0.12 3.82 0.71 3.22 1.02 -1.26 -5.11 118.68 121.20 1f4h s LEU 730 Ca 0.66 0.28 -0.11 0.00 0.02 0.00 0.00 54.13 54.98 1f4h s LEU 730 Cb -0.69 -3.16 0.02 0.00 0.02 0.00 0.00 46.19 42.38 1f4h s LEU 730 CO 0.53 -0.52 1.09 -2.84 0.02 0.00 0.00 176.35 174.63 1f4h s PRO 731 N -4.42 2.82 -0.61 1.29 0.02 -1.26 -5.00 135.00 127.83 1f4h s PRO 731 Ca 0.45 0.52 -0.24 0.00 0.02 0.00 0.00 61.00 61.75 1f4h s PRO 731 Cb -0.10 -2.01 0.05 0.00 0.02 0.00 0.00 34.50 32.46 1f4h s PRO 731 CO 0.36 -1.08 0.99 0.00 -0.33 0.00 0.00 177.00 176.95 1f4h s ALA 732 N -3.31 3.09 -0.27 -1.55 0.00 -1.26 -4.91 121.76 113.56 1f4h s ALA 732 Ca 0.58 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 1f4h s ALA 732 Cb -0.12 -3.85 -0.09 0.00 0.00 0.00 0.00 23.12 19.07 1f4h s ALA 732 CO 0.52 -2.64 0.60 0.00 0.00 0.00 0.00 175.76 174.24 1f4h n ALA 733 N 7.78 0.27 0.00 0.00 0.00 -1.26 -4.58 120.51 122.72 1f4h n ALA 733 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1f4h n ALA 733 Cb 0.47 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 1.68 0.00 0.10 0.00 7.64 -1.26 -4.82 113.62 116.96 1f4h n SER 734 Ca 0.18 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.84 1f4h n SER 734 Cb 0.03 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.10 1f4h n SER 734 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1f4h h HIS 735 N 0.00 0.95 -3.48 1.43 3.86 -1.84 -3.47 115.15 112.60 1f4h h HIS 735 Ca 0.00 -0.62 0.00 0.00 -1.16 0.00 0.00 60.37 58.59 1f4h h HIS 735 Cb 0.00 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1f4h h HIS 735 CO 0.00 1.46 0.00 0.00 0.86 0.00 0.00 177.93 180.25 1f4h n ALA 736 N -2.67 0.00 -3.48 2.45 0.00 -1.26 -5.16 120.51 110.39 1f4h n ALA 736 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 1f4h n ALA 736 Cb 1.01 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.41 1f4h n ALA 736 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1f4h s ILE 737 N 0.60 0.00 0.05 0.00 1.10 -1.26 -4.58 121.20 117.11 1f4h s ILE 737 Ca 0.00 -0.03 -0.27 0.00 -0.51 0.00 0.00 60.65 59.84 1f4h s ILE 737 Cb 0.00 -0.99 -0.05 0.00 0.15 0.00 0.00 42.46 41.57 1f4h s ILE 737 CO 0.00 -0.02 0.86 -2.84 -2.11 0.00 0.00 174.94 170.83 1f4h s PRO 738 N -1.86 4.57 -0.13 3.50 0.02 -1.26 -4.61 135.00 135.23 1f4h s PRO 738 Ca -0.08 1.24 -0.05 0.00 0.02 0.00 0.00 61.00 62.13 1f4h s PRO 738 Cb -0.00 -3.39 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 1f4h s PRO 738 CO 0.04 0.20 0.05 -1.01 -0.33 0.00 0.00 177.00 175.94 1f4h s HIS 739 N 0.17 3.26 -0.20 6.54 3.76 0.67 -4.83 115.29 124.66 1f4h s HIS 739 Ca 0.43 0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 55.50 1f4h s HIS 739 Cb -0.21 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.54 1f4h s HIS 739 CO 0.26 0.36 -0.11 -1.17 -0.85 0.00 0.00 174.74 173.23 1f4h s LEU 740 N -0.34 2.57 -0.28 0.89 2.96 -1.26 -0.20 118.68 123.03 1f4h s LEU 740 Ca 0.08 -0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 1f4h s LEU 740 Cb -0.12 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1f4h s LEU 740 CO 0.02 -0.00 0.24 -0.89 -1.32 0.00 0.00 176.35 174.40 1f4h s THR 741 N 1.33 5.27 -1.12 3.68 2.01 0.14 -4.90 115.64 122.06 1f4h s THR 741 Ca 0.04 0.23 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 1f4h s THR 741 Cb -0.14 -3.59 0.28 0.00 0.01 0.00 0.00 72.50 69.06 1f4h s THR 741 CO -0.06 0.20 1.26 0.41 -0.69 0.00 0.00 174.62 175.74 1f4h n THR 742 N 5.08 4.77 -0.84 -0.82 -1.04 -1.26 -0.12 114.28 120.04 1f4h n THR 742 Ca -0.13 -5.48 -0.30 0.00 -2.04 0.00 0.00 64.05 56.11 1f4h n THR 742 Cb 0.51 -2.43 0.25 0.00 -1.82 0.00 0.00 70.33 66.84 1f4h n THR 742 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1f4h s SER 743 N 0.53 0.63 0.18 8.00 0.15 -0.87 -4.93 113.70 117.38 1f4h s SER 743 Ca 0.32 0.87 0.21 0.00 0.70 0.00 0.00 55.95 58.05 1f4h s SER 743 Cb -0.05 -1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 62.97 1f4h s SER 743 CO -0.02 -4.33 1.02 1.05 1.20 0.00 0.00 173.24 172.16 1f4h h GLU 744 N -2.72 0.00 0.07 5.44 -0.00 -2.02 -3.36 114.58 112.00 1f4h h GLU 744 Ca -0.48 0.00 -0.36 0.00 -0.00 0.00 0.00 59.36 58.52 1f4h h GLU 744 Cb 1.32 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 30.03 1f4h h GLU 744 CO 0.38 0.05 -2.10 -0.12 -0.00 0.00 0.00 179.01 177.23 1f4h n MET 745 N -2.73 0.71 -4.71 1.06 1.56 -1.26 -4.86 117.12 106.89 1f4h n MET 745 Ca -0.02 0.22 -0.31 0.00 -0.27 0.00 0.00 57.70 57.32 1f4h n MET 745 Cb 0.60 -1.66 -0.08 0.00 2.15 0.00 0.00 33.22 34.23 1f4h n MET 745 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1f4h s ASP 746 N -6.69 3.93 -0.13 6.12 1.11 -1.26 0.90 116.67 120.66 1f4h s ASP 746 Ca -0.22 -1.62 -0.03 0.00 0.18 0.00 0.00 52.55 50.86 1f4h s ASP 746 Cb 0.07 0.40 0.05 0.00 1.07 0.00 0.00 42.92 44.51 1f4h s ASP 746 CO 0.74 -0.81 0.04 -0.36 1.18 0.00 0.00 175.17 175.96 1f4h s PHE 747 N -2.90 0.56 0.09 4.23 2.99 -0.80 -2.06 117.98 120.10 1f4h s PHE 747 Ca 0.12 -0.33 0.07 0.00 0.00 0.00 0.00 56.93 56.79 1f4h s PHE 747 Cb 0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 43.02 42.22 1f4h s PHE 747 CO 0.06 -0.43 -0.13 0.00 -0.00 0.00 0.00 175.22 174.72 1f4h s ILE 749 N -1.15 0.43 0.04 0.00 1.09 -0.78 0.28 121.20 121.11 1f4h s ILE 749 Ca 0.19 -0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.64 1f4h s ILE 749 Cb -0.11 -0.44 -0.03 0.00 -1.06 0.00 0.00 42.46 40.82 1f4h s ILE 749 CO 0.11 0.18 -0.04 -1.83 -0.10 0.00 0.00 174.94 173.26 1f4h s GLU 750 N 0.64 0.45 -0.30 2.79 1.03 0.72 -0.13 118.70 123.90 1f4h s GLU 750 Ca -0.08 -0.83 -0.13 0.00 0.03 0.00 0.00 54.97 53.96 1f4h s GLU 750 Cb -0.11 0.06 0.18 0.00 -0.80 0.00 0.00 34.13 33.46 1f4h s GLU 750 CO -0.00 -0.05 1.05 -1.17 -1.33 0.00 0.00 175.26 173.76 1f4h s LEU 751 N -1.95 -0.45 0.00 1.83 0.20 -0.76 0.24 118.68 117.79 1f4h s LEU 751 Ca -0.08 0.30 0.00 0.00 0.69 0.00 0.00 54.13 55.05 1f4h s LEU 751 Cb -0.04 1.39 0.00 0.00 -0.43 0.00 0.00 46.19 47.10 1f4h s LEU 751 CO -0.03 -0.08 0.00 0.61 -0.29 0.00 0.00 176.35 176.55 1f4h n GLY 752 N 5.44 2.27 0.16 7.98 0.00 -1.26 -2.46 105.19 117.31 1f4h n GLY 752 Ca -0.07 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 4.14 0.00 -3.30 1.61 -1.07 -1.95 -3.46 115.58 111.55 1f4h h ASN 753 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.80 1f4h h ASN 753 Cb 0.00 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.19 1f4h h ASN 753 CO 0.00 0.00 -0.04 -0.54 0.07 0.00 0.00 177.43 176.92 1f4h s LYS 754 N -3.22 4.32 -0.01 4.14 1.02 -1.03 -0.71 119.74 124.25 1f4h s LYS 754 Ca 0.08 0.67 -0.01 0.00 0.02 0.00 0.00 55.97 56.73 1f4h s LYS 754 Cb 0.10 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 1f4h s LYS 754 CO 0.58 0.30 0.03 0.50 -0.92 0.00 0.00 175.35 175.84 1f4h s ARG 755 N 0.06 0.09 -0.12 1.68 3.52 -0.16 -1.84 118.95 122.18 1f4h s ARG 755 Ca 0.30 -0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 1f4h s ARG 755 Cb -0.17 0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.27 1f4h s ARG 755 CO 0.16 -0.01 -0.14 -1.58 -0.81 0.00 0.00 175.30 172.91 1f4h s TRP 756 N -0.23 1.97 -0.37 5.12 0.51 0.82 0.15 118.94 126.91 1f4h s TRP 756 Ca -0.03 -0.97 -0.10 0.00 -2.12 0.00 0.00 56.10 52.89 1f4h s TRP 756 Cb -0.02 -1.44 0.04 0.00 -0.81 0.00 0.00 33.47 31.24 1f4h s TRP 756 CO -0.00 -0.51 0.19 -1.14 -0.51 0.00 0.00 176.95 174.98 1f4h s GLN 757 N 1.13 2.74 -0.31 4.98 0.74 0.58 -1.87 119.66 127.66 1f4h s GLN 757 Ca -0.04 -1.16 -0.12 0.00 0.05 0.00 0.00 55.36 54.09 1f4h s GLN 757 Cb -0.14 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 1f4h s GLN 757 CO -0.04 -0.73 0.23 -0.06 -0.55 0.00 0.00 175.29 174.14 1f4h s PHE 758 N 1.50 3.22 0.09 1.67 0.40 -0.32 -1.99 117.98 122.55 1f4h s PHE 758 Ca 0.01 -0.01 -0.30 0.00 -0.60 0.00 0.00 56.93 56.03 1f4h s PHE 758 Cb -0.20 -2.45 -0.06 0.00 0.51 0.00 0.00 43.02 40.82 1f4h s PHE 758 CO 0.05 -0.26 1.16 1.21 0.70 0.00 0.00 175.22 178.08 1f4h s ASN 759 N 1.74 7.14 0.05 1.36 3.84 -0.11 -1.90 114.94 127.05 1f4h s ASN 759 Ca 0.07 2.02 0.23 0.00 0.21 0.00 0.00 52.86 55.40 1f4h s ASN 759 Cb -0.17 -2.59 0.96 0.00 -0.55 0.00 0.00 41.25 38.91 1f4h s ASN 759 CO 0.11 -0.40 1.74 0.54 -2.79 0.00 0.00 177.10 176.30 1f4h n ARG 760 N 3.50 0.05 -0.09 0.43 1.74 0.26 -1.90 116.66 120.65 1f4h n ARG 760 Ca 0.07 0.14 -0.08 0.00 -0.77 0.00 0.00 57.85 57.21 1f4h n ARG 760 Cb 0.47 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 1f4h n ARG 760 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1f4h n GLN 761 N -1.65 0.91 0.07 5.56 -0.00 -1.26 -4.45 117.38 116.55 1f4h n GLN 761 Ca 0.05 -0.02 0.11 0.00 -0.00 0.00 0.00 57.00 57.14 1f4h n GLN 761 Cb 0.29 -1.48 -0.04 0.00 -0.00 0.00 0.00 30.24 29.00 1f4h n GLN 761 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1f4h n SER 762 N -2.66 0.61 0.00 2.61 3.41 -1.24 -4.70 113.62 111.65 1f4h n SER 762 Ca -0.29 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1f4h n SER 762 Cb 1.07 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.89 1f4h n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f4h n GLY 763 N 1.22 0.69 4.01 5.00 0.00 -0.80 -4.84 105.19 110.47 1f4h n GLY 763 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.05 1.60 -0.86 1.61 2.99 -1.24 -4.85 117.98 114.17 1f4h s PHE 764 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 56.93 56.44 1f4h s PHE 764 Cb 0.00 -2.72 0.22 0.00 0.00 0.00 0.00 43.02 40.52 1f4h s PHE 764 CO 0.00 -1.47 0.77 -1.17 -0.00 0.00 0.00 175.22 173.34 1f4h s LEU 765 N -4.96 6.00 0.25 -0.37 2.96 -1.26 -0.94 118.68 120.37 1f4h s LEU 765 Ca 0.64 -3.19 -0.03 0.00 -0.22 0.00 0.00 54.13 51.33 1f4h s LEU 765 Cb -0.06 -2.05 0.45 0.00 0.50 0.00 0.00 46.19 45.04 1f4h s LEU 765 CO 0.42 -0.36 1.79 0.77 -1.32 0.00 0.00 176.35 177.65 1f4h h SER 766 N 6.91 0.60 -4.91 3.68 4.64 -1.75 -3.07 113.55 119.64 1f4h h SER 766 Ca 0.11 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1f4h h SER 766 Cb 0.93 -0.04 -0.19 0.00 -0.31 0.00 0.00 62.40 62.78 1f4h h SER 766 CO 0.82 0.31 0.14 -1.58 -0.87 0.00 0.00 176.83 175.65 1f4h s GLN 767 N -6.01 1.00 -0.01 4.77 2.00 -1.21 -4.44 119.66 115.77 1f4h s GLN 767 Ca -0.12 0.28 0.00 0.00 -2.00 0.00 0.00 55.36 53.52 1f4h s GLN 767 Cb 0.20 0.47 0.01 0.00 0.80 0.00 0.00 33.01 34.50 1f4h s GLN 767 CO 0.78 -0.30 -0.00 0.00 -0.50 0.00 0.00 175.29 175.27 1f4h s MET 768 N -1.07 0.12 0.09 1.67 0.23 -1.26 0.22 119.30 119.29 1f4h s MET 768 Ca -0.10 0.03 0.09 0.00 -1.03 0.00 0.00 55.69 54.68 1f4h s MET 768 Cb -0.01 -0.22 -0.04 0.00 -1.53 0.00 0.00 34.83 33.04 1f4h s MET 768 CO 0.09 -0.05 -0.22 -1.58 -2.03 0.00 0.00 175.02 171.22 1f4h s TRP 769 N 0.45 2.44 -0.36 3.16 0.51 0.40 -0.49 118.94 125.06 1f4h s TRP 769 Ca -0.04 -0.32 0.01 0.00 -2.12 0.00 0.00 56.10 53.62 1f4h s TRP 769 Cb -0.06 -1.36 0.10 0.00 -0.81 0.00 0.00 33.47 31.33 1f4h s TRP 769 CO -0.01 0.28 0.09 0.42 -0.51 0.00 0.00 176.95 177.23 1f4h s ILE 770 N -0.99 2.75 0.00 2.03 1.09 -0.72 -0.99 121.20 124.37 1f4h s ILE 770 Ca 0.15 -2.08 0.00 0.00 -1.10 0.00 0.00 60.65 57.62 1f4h s ILE 770 Cb -0.10 -2.89 0.00 0.00 -1.06 0.00 0.00 42.46 38.41 1f4h s ILE 770 CO 0.06 -0.54 0.00 0.61 -0.10 0.00 0.00 174.94 174.97 1f4h n GLY 771 N 4.44 2.74 0.04 6.18 0.00 0.11 -2.69 105.19 116.01 1f4h n GLY 771 Ca -0.02 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 8.98 0.73 -4.73 1.61 5.75 -1.26 -4.81 116.55 122.82 1f4h n ASP 772 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 1f4h n ASP 772 Cb 0.00 1.50 -0.04 0.00 -1.03 0.00 0.00 41.12 41.56 1f4h n ASP 772 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1f4h s LYS 773 N -2.96 4.53 0.48 0.11 3.01 -1.09 -5.02 119.74 118.80 1f4h s LYS 773 Ca -0.07 1.75 -0.13 0.00 -1.01 0.00 0.00 55.97 56.50 1f4h s LYS 773 Cb 0.09 -3.30 -0.07 0.00 -1.01 0.00 0.00 37.83 33.55 1f4h s LYS 773 CO 0.75 -0.06 0.90 0.15 0.51 0.00 0.00 175.35 177.61 1f4h s LYS 774 N 0.13 3.83 -0.00 1.68 1.02 -1.26 -1.75 119.74 123.38 1f4h s LYS 774 Ca 0.53 0.72 0.02 0.00 0.02 0.00 0.00 55.97 57.26 1f4h s LYS 774 Cb -0.30 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1f4h s LYS 774 CO 0.33 -0.21 0.05 1.04 -0.92 0.00 0.00 175.35 175.64 1f4h n GLN 775 N -1.64 0.20 -4.25 1.68 1.13 0.36 -4.84 117.38 110.03 1f4h n GLN 775 Ca 0.05 -0.02 -0.34 0.00 -1.94 0.00 0.00 57.00 54.74 1f4h n GLN 775 Cb 0.54 -1.06 -0.11 0.00 0.11 0.00 0.00 30.24 29.73 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 -3.20 3.53 -0.10 1.08 1.43 -1.26 0.19 118.68 120.34 1f4h s LEU 776 Ca -0.01 0.01 0.18 0.00 -1.03 0.00 0.00 54.13 53.28 1f4h s LEU 776 Cb 0.01 -1.86 -0.24 0.00 0.03 0.00 0.00 46.19 44.13 1f4h s LEU 776 CO 0.10 0.21 0.35 0.18 0.23 0.00 0.00 176.35 177.42 1f4h n LEU 777 N 3.25 0.26 -4.39 1.79 4.77 -0.25 -4.75 117.00 117.68 1f4h n LEU 777 Ca -0.17 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 55.73 1f4h n LEU 777 Cb 0.53 0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.82 1f4h n LEU 777 CO 0.33 0.33 -0.23 -0.89 -1.33 0.00 0.00 177.39 175.61 1f4h s THR 778 N -2.76 0.61 0.60 -5.08 2.01 -1.24 -4.97 115.64 104.80 1f4h s THR 778 Ca -0.08 -2.00 -0.00 0.00 0.31 0.00 0.00 61.69 59.92 1f4h s THR 778 Cb 0.08 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 70.07 1f4h s THR 778 CO 0.84 0.00 0.84 -2.84 -0.69 0.00 0.00 174.62 172.78 1f4h s PRO 779 N -3.87 2.34 -0.45 4.92 0.01 -1.26 -4.29 135.00 132.40 1f4h s PRO 779 Ca 0.34 -0.77 -0.26 0.00 0.01 0.00 0.00 61.00 60.32 1f4h s PRO 779 Cb 0.06 -2.42 0.03 0.00 0.01 0.00 0.00 34.50 32.18 1f4h s PRO 779 CO 0.16 -0.91 0.95 -1.17 0.01 0.00 0.00 177.00 176.03 1f4h s LEU 780 N -4.89 3.97 0.01 -5.54 2.96 -1.16 -4.12 118.68 109.91 1f4h s LEU 780 Ca 0.59 0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 54.61 1f4h s LEU 780 Cb -0.09 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.36 1f4h s LEU 780 CO 0.40 -1.05 0.20 0.00 -1.32 0.00 0.00 176.35 174.59 1f4h s ARG 781 N 3.79 0.61 0.39 1.98 1.70 -0.65 -4.12 118.95 122.65 1f4h s ARG 781 Ca 0.38 -0.43 -0.26 0.00 -0.47 0.00 0.00 55.73 54.95 1f4h s ARG 781 Cb -0.10 0.26 -0.11 0.00 -0.57 0.00 0.00 34.95 34.43 1f4h s ARG 781 CO 0.26 -0.17 1.11 -0.25 -1.08 0.00 0.00 175.30 175.18 1f4h n ASP 782 N 1.12 1.80 -3.76 -2.89 9.92 -1.26 -1.08 116.55 120.39 1f4h n ASP 782 Ca -0.21 1.10 -0.15 0.00 -0.53 0.00 0.00 54.79 55.00 1f4h n ASP 782 Cb 0.57 -1.40 -0.16 0.00 -0.64 0.00 0.00 41.12 39.49 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 -1.97 -0.02 0.00 -1.24 0.74 0.36 -4.84 119.66 112.69 1f4h s GLN 783 Ca 0.61 0.23 0.00 0.00 0.05 0.00 0.00 55.36 56.25 1f4h s GLN 783 Cb -0.57 -0.25 0.00 0.00 1.10 0.00 0.00 33.01 33.30 1f4h s GLN 783 CO 0.58 -0.18 0.73 1.19 -0.55 0.00 0.00 175.29 177.06 1f4h n PHE 784 N 4.24 0.00 -4.58 1.67 3.01 -1.26 -2.17 117.46 118.37 1f4h n PHE 784 Ca -0.27 -0.26 -0.31 0.00 1.01 0.00 0.00 57.45 57.62 1f4h n PHE 784 Cb 0.50 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 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 -0.52 1.30 -0.28 4.37 -4.23 -1.26 -3.07 115.64 111.95 1f4h s THR 785 Ca 0.00 -1.90 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 1f4h s THR 785 Cb 0.00 -2.20 0.08 0.00 1.34 0.00 0.00 72.50 71.73 1f4h s THR 785 CO 0.00 0.00 0.77 0.00 -0.54 0.00 0.00 174.62 174.85 1f4h s ARG 786 N -3.95 0.73 -0.34 3.99 1.70 -1.26 -4.66 118.95 115.15 1f4h s ARG 786 Ca 0.12 1.00 -0.28 0.00 -0.47 0.00 0.00 55.73 56.11 1f4h s ARG 786 Cb 0.01 0.28 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 1f4h s ARG 786 CO 0.07 -0.11 2.31 0.00 -1.08 0.00 0.00 175.30 176.49 1f4h n ALA 787 N 3.21 1.35 -1.54 7.88 0.00 -1.26 -4.79 120.51 125.35 1f4h n ALA 787 Ca -0.16 -0.52 -0.62 0.00 0.00 0.00 0.00 53.44 52.14 1f4h n ALA 787 Cb 0.57 -3.01 -0.10 0.00 0.00 0.00 0.00 19.45 16.90 1f4h n ALA 787 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1f4h n PRO 788 N 8.84 0.29 -1.50 0.00 -0.05 -1.26 0.10 135.00 141.42 1f4h n PRO 788 Ca 0.34 0.10 -0.29 0.00 -0.05 0.00 0.00 63.50 63.60 1f4h n PRO 788 Cb 0.47 -1.69 0.15 0.00 -0.05 0.00 0.00 33.50 32.38 1f4h n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1f4h s LEU 789 N 4.56 1.90 0.19 1.53 1.43 -1.26 -4.65 118.68 122.38 1f4h s LEU 789 Ca 1.10 0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 54.90 1f4h s LEU 789 Cb -1.37 -3.10 0.16 0.00 0.03 0.00 0.00 46.19 41.91 1f4h s LEU 789 CO 0.71 -2.79 1.63 0.44 0.23 0.00 0.00 176.35 176.57 1f4h h ASP 790 N -1.66 -0.68 0.43 2.29 3.32 -1.84 0.39 116.42 118.67 1f4h h ASP 790 Ca -0.50 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1f4h h ASP 790 Cb 1.32 0.40 -0.00 0.00 0.22 0.00 0.00 39.33 41.26 1f4h h ASP 790 CO 0.56 -0.23 -0.10 0.78 -1.72 0.00 0.00 179.24 178.53 1f4h h ASN 791 N -0.07 0.00 1.21 6.45 2.35 -1.82 0.21 115.58 123.91 1f4h h ASN 791 Ca 0.25 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1f4h h ASN 791 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1f4h h ASN 791 CO -0.57 0.10 -0.15 0.44 -1.65 0.00 0.00 177.43 175.60 1f4h h ASP 792 N 0.00 0.00 0.00 5.81 3.32 -0.55 -3.33 116.42 121.67 1f4h h ASP 792 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1f4h h ASP 792 Cb 0.35 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1f4h h ASP 792 CO 0.01 0.15 -1.43 -0.38 -1.72 0.00 0.00 179.24 175.88 1f4h n ILE 793 N -3.24 1.53 -2.99 0.35 5.41 -0.44 -1.12 119.36 118.87 1f4h n ILE 793 Ca 0.01 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1f4h n ILE 793 Cb 0.45 -2.02 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 1.41 2.52 1.00 7.39 0.00 0.62 -2.39 105.19 115.74 1f4h n GLY 794 Ca -0.35 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 0.70 -1.70 1.61 0.24 -1.26 -4.93 118.33 112.99 1f4h n VAL 795 Ca 0.00 -0.72 -0.43 0.00 -2.04 0.00 0.00 64.34 61.16 1f4h n VAL 795 Cb 0.00 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 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 1.09 3.92 -4.79 -1.34 2.88 -1.01 -4.76 113.62 109.62 1f4h n SER 796 Ca 0.18 1.04 -0.30 0.00 -1.33 0.00 0.00 58.87 58.46 1f4h n SER 796 Cb 0.46 -1.55 -0.06 0.00 -0.75 0.00 0.00 64.21 62.31 1f4h n SER 796 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1f4h s GLU 797 N 1.64 2.20 0.14 -1.46 8.01 0.30 -4.84 118.70 124.68 1f4h s GLU 797 Ca 0.78 -2.24 -0.02 0.00 0.01 0.00 0.00 54.97 53.50 1f4h s GLU 797 Cb -0.52 -1.72 -0.08 0.00 -4.31 0.00 0.00 34.13 27.50 1f4h s GLU 797 CO 0.34 -0.38 1.31 0.00 0.01 0.00 0.00 175.26 176.55 1f4h h ALA 798 N 1.24 0.39 0.00 5.21 0.00 -1.99 -2.95 119.26 121.15 1f4h h ALA 798 Ca -0.42 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 53.76 1f4h h ALA 798 Cb 1.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1f4h h ALA 798 CO 0.70 0.86 -0.03 1.15 0.00 0.00 0.00 179.25 181.93 1f4h h THR 799 N 0.18 0.55 -3.71 0.00 2.02 -2.00 -3.41 112.91 106.54 1f4h h THR 799 Ca -0.07 -1.42 -0.77 0.00 0.77 0.00 0.00 66.41 64.92 1f4h h THR 799 Cb 1.59 1.05 -0.29 0.00 -1.74 0.00 0.00 68.15 68.76 1f4h h THR 799 CO 0.16 0.19 0.03 -0.13 0.37 0.00 0.00 175.52 176.14 1f4h s ARG 800 N -1.78 3.44 0.22 6.66 0.52 -1.25 -5.06 118.95 121.70 1f4h s ARG 800 Ca -0.06 -2.63 -0.30 0.00 -0.52 0.00 0.00 55.73 52.22 1f4h s ARG 800 Cb -0.01 -4.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.11 1f4h s ARG 800 CO 0.22 -1.26 1.08 -1.50 0.02 0.00 0.00 175.30 173.86 1f4h s ILE 801 N -0.16 3.76 -0.73 1.52 1.10 -1.11 0.11 121.20 125.68 1f4h s ILE 801 Ca 0.20 1.64 -0.10 0.00 -0.51 0.00 0.00 60.65 61.87 1f4h s ILE 801 Cb -0.12 -4.04 0.19 0.00 0.15 0.00 0.00 42.46 38.64 1f4h s ILE 801 CO -0.08 0.34 0.63 -0.62 -2.11 0.00 0.00 174.94 173.10 1f4h s ASP 802 N -0.53 6.21 0.00 4.50 2.15 -1.26 -4.84 116.67 122.89 1f4h s ASP 802 Ca 0.46 -2.64 0.00 0.00 0.43 0.00 0.00 52.55 50.80 1f4h s ASP 802 Cb -0.30 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1f4h s ASP 802 CO 0.37 -0.53 0.59 -0.81 -0.17 0.00 0.00 175.17 174.62 1f4h n PRO 803 N 3.95 0.00 0.00 4.34 -0.04 -1.26 -0.44 135.00 141.55 1f4h n PRO 803 Ca 0.09 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 1f4h n PRO 803 Cb 0.43 -1.51 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1f4h n PRO 803 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1f4h n ASN 804 N -1.09 1.99 -4.77 3.54 3.02 -1.26 -4.40 115.26 112.29 1f4h n ASN 804 Ca 0.00 -1.50 -0.40 0.00 -0.03 0.00 0.00 54.58 52.66 1f4h n ASN 804 Cb 0.01 0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1f4h n ASN 804 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f4h s ALA 805 N -1.42 3.28 0.15 5.41 0.00 0.42 -4.72 121.76 124.88 1f4h s ALA 805 Ca 0.16 1.37 -0.20 0.00 0.00 0.00 0.00 51.96 53.29 1f4h s ALA 805 Cb 0.12 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1f4h s ALA 805 CO 0.25 -1.02 1.67 -1.49 0.00 0.00 0.00 175.76 175.17 1f4h h TRP 806 N 2.55 -0.30 -0.80 0.00 4.06 -1.61 -1.61 115.95 118.24 1f4h h TRP 806 Ca -0.50 0.03 0.05 0.00 2.06 0.00 0.00 58.89 60.52 1f4h h TRP 806 Cb 1.25 0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 29.54 1f4h h TRP 806 CO 0.52 -0.19 0.53 -0.24 -3.56 0.00 0.00 178.44 175.49 1f4h h VAL 807 N -0.09 1.09 -0.35 1.49 3.04 -1.46 0.14 116.25 120.10 1f4h h VAL 807 Ca 0.13 -0.32 0.04 0.00 -1.01 0.00 0.00 66.70 65.54 1f4h h VAL 807 Cb 0.30 0.07 -0.04 0.00 -2.01 0.00 0.00 31.29 29.61 1f4h h VAL 807 CO -0.31 0.17 0.14 -0.33 -1.01 0.00 0.00 177.57 176.23 1f4h h GLU 808 N 0.94 0.29 -0.07 4.17 4.39 -1.56 1.54 114.58 124.28 1f4h h GLU 808 Ca 0.33 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.84 1f4h h GLU 808 Cb 0.12 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1f4h h GLU 808 CO -0.11 0.19 -0.72 0.00 -1.16 0.00 0.00 179.01 177.22 1f4h h ARG 809 N 0.30 0.34 -0.12 2.33 3.08 -0.49 -0.86 114.38 118.95 1f4h h ARG 809 Ca 0.15 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1f4h h ARG 809 Cb 0.11 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1f4h h ARG 809 CO -0.14 0.92 -0.15 -1.49 -1.07 0.00 0.00 179.97 178.04 1f4h h TRP 810 N 0.23 0.39 -0.43 3.04 6.55 -0.42 -2.74 115.95 122.57 1f4h h TRP 810 Ca -0.03 -0.12 0.06 0.00 0.95 0.00 0.00 58.89 59.76 1f4h h TRP 810 Cb 1.28 -0.08 -0.06 0.00 -0.86 0.00 0.00 29.16 29.45 1f4h h TRP 810 CO 0.04 0.74 0.11 0.87 -1.05 0.00 0.00 178.44 179.15 1f4h h LYS 811 N -0.08 0.24 0.00 0.49 1.57 0.23 -2.60 116.57 116.41 1f4h h LYS 811 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1f4h h LYS 811 Cb 0.69 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1f4h h LYS 811 CO 0.04 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 1f4h n ALA 812 N -2.44 1.96 0.71 3.86 0.00 -0.33 -2.92 120.51 121.35 1f4h n ALA 812 Ca 0.03 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1f4h n ALA 812 Cb 0.19 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 1f4h n ALA 812 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4h n ALA 813 N -1.40 3.70 -0.39 0.00 0.00 -1.00 -4.98 120.51 116.43 1f4h n ALA 813 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1f4h n ALA 813 Cb 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 1.28 0.78 0.20 0.00 0.00 -1.15 -4.84 105.19 101.46 1f4h n GLY 814 Ca 0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.40 0.00 1.61 3.86 -1.73 1.54 115.15 120.03 1f4h h HIS 815 Ca 0.00 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1f4h h HIS 815 Cb 0.00 0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1f4h h HIS 815 CO 0.00 -0.23 -0.00 1.88 0.86 0.00 0.00 177.93 180.43 1f4h h TYR 816 N -0.31 0.00 0.00 2.45 -1.99 -1.86 -3.07 116.97 112.19 1f4h h TYR 816 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1f4h h TYR 816 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.05 1f4h h TYR 816 CO -0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 178.16 177.93 1f4h n GLN 817 N -3.12 1.47 -0.86 4.88 10.64 0.00 -5.03 117.38 125.36 1f4h n GLN 817 Ca -0.02 -1.63 -0.32 0.00 -1.83 0.00 0.00 57.00 53.20 1f4h n GLN 817 Cb 0.15 -1.01 0.14 0.00 -0.86 0.00 0.00 30.24 28.66 1f4h n GLN 817 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1f4h n ALA 818 N -0.66 -0.96 -3.57 2.61 0.00 0.51 -4.92 120.51 113.52 1f4h n ALA 818 Ca 0.05 -0.48 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 1f4h n ALA 818 Cb 0.49 -2.12 -0.16 0.00 0.00 0.00 0.00 19.45 17.66 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 -4.18 1.03 1.12 0.00 2.02 -0.74 -4.88 118.70 113.08 1f4h s GLU 819 Ca 0.67 -0.18 -0.13 0.00 0.02 0.00 0.00 54.97 55.34 1f4h s GLU 819 Cb -0.25 -0.96 0.23 0.00 0.10 0.00 0.00 34.13 33.25 1f4h s GLU 819 CO 0.58 -0.04 0.84 0.00 0.02 0.00 0.00 175.26 176.65 1f4h n ALA 820 N 3.94 -2.83 -3.34 5.21 0.00 -1.26 -1.67 120.51 120.56 1f4h n ALA 820 Ca -0.25 -1.09 -0.03 0.00 0.00 0.00 0.00 53.44 52.07 1f4h n ALA 820 Cb 0.51 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 1f4h n ALA 820 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4h s ALA 821 N -2.41 -1.70 0.22 0.00 0.00 0.10 -4.86 121.76 113.12 1f4h s ALA 821 Ca 0.66 1.55 -0.31 0.00 0.00 0.00 0.00 51.96 53.86 1f4h s ALA 821 Cb -0.23 -1.85 -0.11 0.00 0.00 0.00 0.00 23.12 20.94 1f4h s ALA 821 CO 0.64 -1.18 1.58 -1.17 0.00 0.00 0.00 175.76 175.63 1f4h s LEU 822 N 2.73 4.37 -0.01 0.00 2.96 -1.26 -2.56 118.68 124.90 1f4h s LEU 822 Ca 0.12 2.76 0.02 0.00 -0.22 0.00 0.00 54.13 56.80 1f4h s LEU 822 Cb -0.14 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 1f4h s LEU 822 CO -0.18 -0.85 0.01 0.18 -1.32 0.00 0.00 176.35 174.19 1f4h n LEU 823 N 3.21 0.00 -3.64 -0.68 4.77 0.06 -4.96 117.00 115.75 1f4h n LEU 823 Ca 0.11 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.04 1f4h n LEU 823 Cb 0.38 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1f4h n LEU 823 CO 0.62 0.04 0.69 -1.58 -1.33 0.00 0.00 177.39 175.83 1f4h s GLN 824 N -2.06 0.43 -0.20 3.23 0.74 -1.13 -4.92 119.66 115.75 1f4h s GLN 824 Ca -0.01 0.65 -0.04 0.00 0.05 0.00 0.00 55.36 56.01 1f4h s GLN 824 Cb 0.01 0.14 0.09 0.00 1.10 0.00 0.00 33.01 34.34 1f4h s GLN 824 CO 0.08 -0.08 0.20 0.00 -0.55 0.00 0.00 175.29 174.94 1f4h s THR 826 N 2.29 0.41 0.01 0.00 -4.23 0.26 -4.99 115.64 109.39 1f4h s THR 826 Ca 0.06 -1.82 0.05 0.00 -1.18 0.00 0.00 61.69 58.80 1f4h s THR 826 Cb -0.16 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.14 1f4h s THR 826 CO -0.12 -0.92 -0.15 0.00 -0.54 0.00 0.00 174.62 172.89 1f4h s ALA 827 N -3.68 1.26 0.02 3.99 0.00 -1.26 -0.34 121.76 121.75 1f4h s ALA 827 Ca 0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1f4h s ALA 827 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1f4h s ALA 827 CO -0.07 0.29 0.07 -0.51 0.00 0.00 0.00 175.76 175.53 1f4h s ASP 828 N -0.64 0.15 -0.21 0.00 1.11 -1.01 -4.99 116.67 111.08 1f4h s ASP 828 Ca 0.05 -0.41 -0.05 0.00 0.18 0.00 0.00 52.55 52.32 1f4h s ASP 828 Cb -0.07 0.17 -0.02 0.00 1.07 0.00 0.00 42.92 44.07 1f4h s ASP 828 CO 0.00 -0.38 0.01 -0.89 1.18 0.00 0.00 175.17 175.08 1f4h s THR 829 N -1.76 3.99 0.11 -1.27 2.01 -1.26 -0.90 115.64 116.55 1f4h s THR 829 Ca -0.12 -0.30 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 1f4h s THR 829 Cb -0.07 -2.81 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 1f4h s THR 829 CO -0.01 0.42 0.52 -0.76 -0.69 0.00 0.00 174.62 174.09 1f4h s LEU 830 N 1.08 4.39 0.30 4.42 2.01 0.22 -4.94 118.68 126.16 1f4h s LEU 830 Ca 0.02 1.06 0.26 0.00 0.01 0.00 0.00 54.13 55.48 1f4h s LEU 830 Cb -0.14 -3.07 0.96 0.00 0.01 0.00 0.00 46.19 43.94 1f4h s LEU 830 CO 0.02 0.17 0.91 0.00 1.01 0.00 0.00 176.35 178.46 1f4h n ALA 831 N 1.12 1.00 0.00 4.21 0.00 -1.26 -1.78 120.51 123.79 1f4h n ALA 831 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1f4h n ALA 831 Cb 0.52 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1f4h n ALA 831 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1f4h n ASP 832 N -3.37 0.62 -3.12 0.00 5.75 -1.26 -5.14 116.55 110.04 1f4h n ASP 832 Ca 0.25 -0.17 -0.16 0.00 -0.01 0.00 0.00 54.79 54.70 1f4h n ASP 832 Cb 1.08 0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 41.60 1f4h n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f4h n ALA 833 N -0.52 -0.14 -2.85 2.12 0.00 -0.74 -3.74 120.51 114.64 1f4h n ALA 833 Ca 0.00 -1.75 -0.34 0.00 0.00 0.00 0.00 53.44 51.35 1f4h n ALA 833 Cb 0.00 1.41 -0.11 0.00 0.00 0.00 0.00 19.45 20.75 1f4h n ALA 833 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f4h s VAL 834 N -2.94 4.03 -0.35 0.00 1.01 0.97 0.73 120.40 123.85 1f4h s VAL 834 Ca 0.32 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 1f4h s VAL 834 Cb -0.00 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1f4h s VAL 834 CO 0.23 0.52 0.19 -0.22 0.00 0.00 0.00 175.10 175.83 1f4h s LEU 835 N -0.02 4.46 -0.26 3.92 2.96 -0.07 -2.38 118.68 127.29 1f4h s LEU 835 Ca 0.02 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 53.13 1f4h s LEU 835 Cb -0.13 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1f4h s LEU 835 CO 0.02 -0.29 0.10 -0.63 -1.32 0.00 0.00 176.35 174.23 1f4h s ILE 836 N 1.61 4.53 0.02 6.68 -1.09 0.43 -2.41 121.20 130.96 1f4h s ILE 836 Ca 0.04 -0.13 -0.00 0.00 -2.23 0.00 0.00 60.65 58.33 1f4h s ILE 836 Cb -0.18 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1f4h s ILE 836 CO 0.07 0.30 0.11 -0.89 -1.23 0.00 0.00 174.94 173.30 1f4h s THR 837 N 1.64 4.89 0.10 2.92 2.01 0.54 0.71 115.64 128.45 1f4h s THR 837 Ca 0.06 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.38 1f4h s THR 837 Cb -0.15 -3.28 0.07 0.00 0.01 0.00 0.00 72.50 69.14 1f4h s THR 837 CO 0.05 0.28 0.62 0.42 -0.69 0.00 0.00 174.62 175.30 1f4h s THR 838 N -1.29 0.00 -0.26 -0.82 -4.23 -1.00 -0.57 115.64 107.47 1f4h s THR 838 Ca 0.26 -0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.67 1f4h s THR 838 Cb -0.12 -1.00 0.11 0.00 1.34 0.00 0.00 72.50 72.83 1f4h s THR 838 CO 0.18 -0.01 0.56 0.00 -0.54 0.00 0.00 174.62 174.81 1f4h s ALA 839 N -3.06 -1.67 0.28 3.99 0.00 -0.30 -1.44 121.76 119.56 1f4h s ALA 839 Ca -0.02 2.01 0.12 0.00 0.00 0.00 0.00 51.96 54.06 1f4h s ALA 839 Cb -0.01 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 1f4h s ALA 839 CO -0.07 -0.82 -0.19 -1.01 0.00 0.00 0.00 175.76 173.68 1f4h s HIS 840 N 2.69 2.31 -0.05 0.00 3.76 0.14 -0.76 115.29 123.38 1f4h s HIS 840 Ca -0.05 -0.34 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 1f4h s HIS 840 Cb -0.12 -1.03 0.01 0.00 1.11 0.00 0.00 32.58 32.55 1f4h s HIS 840 CO -0.16 0.71 -0.12 0.00 -0.85 0.00 0.00 174.74 174.31 1f4h s ALA 841 N -2.51 1.15 -0.11 -1.40 0.00 -1.06 -0.10 121.76 117.73 1f4h s ALA 841 Ca 0.30 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 1f4h s ALA 841 Cb -0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1f4h s ALA 841 CO 0.15 0.14 -0.03 -1.58 0.00 0.00 0.00 175.76 174.45 1f4h s TRP 842 N 0.43 3.05 0.24 0.00 0.51 -0.34 0.02 118.94 122.86 1f4h s TRP 842 Ca -0.09 -0.03 -0.03 0.00 -2.12 0.00 0.00 56.10 53.82 1f4h s TRP 842 Cb -0.13 -1.84 -0.03 0.00 -0.81 0.00 0.00 33.47 30.67 1f4h s TRP 842 CO 0.02 0.24 0.27 -0.65 -0.51 0.00 0.00 176.95 176.32 1f4h s GLN 843 N -0.38 1.43 -0.29 4.98 -0.21 -0.67 -1.64 119.66 122.89 1f4h s GLN 843 Ca 0.06 -1.60 0.00 0.00 0.02 0.00 0.00 55.36 53.84 1f4h s GLN 843 Cb -0.12 0.34 0.19 0.00 1.00 0.00 0.00 33.01 34.42 1f4h s GLN 843 CO 0.02 -0.53 0.68 -1.58 -2.12 0.00 0.00 175.29 171.77 1f4h s HIS 844 N -3.91 -1.51 -0.63 0.91 2.46 -0.71 -1.79 115.29 110.11 1f4h s HIS 844 Ca 0.34 1.16 -0.02 0.00 0.47 0.00 0.00 55.06 57.01 1f4h s HIS 844 Cb 0.04 0.36 -0.02 0.00 -0.13 0.00 0.00 32.58 32.83 1f4h s HIS 844 CO 0.14 -0.86 0.57 1.04 -2.47 0.00 0.00 174.74 173.16 1f4h n GLN 845 N 5.39 -1.23 -0.60 2.88 1.13 -1.26 -3.21 117.38 120.49 1f4h n GLN 845 Ca 0.02 0.97 0.00 0.00 -1.94 0.00 0.00 57.00 56.06 1f4h n GLN 845 Cb 0.53 -4.60 0.00 0.00 0.11 0.00 0.00 30.24 26.29 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 -1.45 0.00 3.47 1.08 0.00 -1.26 -4.88 105.19 102.15 1f4h n GLY 846 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.19 3.17 -0.25 1.61 2.47 -1.20 -5.05 119.74 119.30 1f4h s LYS 847 Ca 0.00 -0.87 -0.29 0.00 -1.56 0.00 0.00 55.97 53.25 1f4h s LYS 847 Cb 0.00 -3.85 -0.01 0.00 -1.46 0.00 0.00 37.83 32.51 1f4h s LYS 847 CO 0.00 -0.61 1.40 0.99 0.16 0.00 0.00 175.35 177.29 1f4h s THR 848 N 1.67 4.01 -0.21 3.43 2.01 -1.26 -1.73 115.64 123.57 1f4h s THR 848 Ca 0.05 1.16 -0.12 0.00 0.31 0.00 0.00 61.69 63.08 1f4h s THR 848 Cb -0.18 -3.99 -0.19 0.00 0.01 0.00 0.00 72.50 68.14 1f4h s THR 848 CO 0.09 -0.37 0.07 0.18 -0.69 0.00 0.00 174.62 173.91 1f4h n LEU 849 N 7.73 2.27 -4.00 4.42 4.77 -0.65 -4.71 117.00 126.84 1f4h n LEU 849 Ca 0.16 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.32 1f4h n LEU 849 Cb 0.46 -0.97 -0.09 0.00 -2.33 0.00 0.00 43.42 40.48 1f4h n LEU 849 CO 0.63 0.60 -0.26 -0.36 -1.33 0.00 0.00 177.39 176.67 1f4h s PHE 850 N -2.47 0.37 -0.04 -1.77 2.99 -1.23 -1.31 117.98 114.52 1f4h s PHE 850 Ca -0.30 -0.86 -0.02 0.00 0.00 0.00 0.00 56.93 55.75 1f4h s PHE 850 Cb 0.08 -0.26 0.03 0.00 0.00 0.00 0.00 43.02 42.87 1f4h s PHE 850 CO 0.62 -0.43 0.04 0.42 -0.00 0.00 0.00 175.22 175.87 1f4h s ILE 851 N -3.80 -0.01 -0.21 0.64 1.01 0.16 -1.20 121.20 117.79 1f4h s ILE 851 Ca 0.05 0.34 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 1f4h s ILE 851 Cb 0.06 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.31 1f4h s ILE 851 CO -0.10 0.18 -0.03 -0.55 0.00 0.00 0.00 174.94 174.44 1f4h s SER 852 N 1.95 4.47 -0.34 3.58 0.15 0.85 -0.30 113.70 124.07 1f4h s SER 852 Ca 0.03 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.38 1f4h s SER 852 Cb -0.12 -1.77 0.10 0.00 -1.71 0.00 0.00 66.02 62.52 1f4h s SER 852 CO -0.03 0.00 0.06 -0.13 1.20 0.00 0.00 173.24 174.34 1f4h s ARG 853 N 1.34 1.37 0.43 5.44 0.52 -1.01 0.25 118.95 127.30 1f4h s ARG 853 Ca 0.04 -1.77 0.05 0.00 -0.52 0.00 0.00 55.73 53.54 1f4h s ARG 853 Cb -0.14 -3.03 -0.06 0.00 0.52 0.00 0.00 34.95 32.23 1f4h s ARG 853 CO -0.01 -0.95 0.01 -1.59 0.02 0.00 0.00 175.30 172.78 1f4h s LYS 854 N 1.00 2.01 -0.08 3.54 -2.85 -0.52 -1.94 119.74 120.90 1f4h s LYS 854 Ca 0.11 -2.18 -0.05 0.00 -1.00 0.00 0.00 55.97 52.85 1f4h s LYS 854 Cb -0.19 -1.59 0.03 0.00 -2.06 0.00 0.00 37.83 34.02 1f4h s LYS 854 CO -0.10 -0.13 0.19 0.95 0.10 0.00 0.00 175.35 176.35 1f4h s THR 855 N -2.77 -0.02 -0.11 3.79 -4.23 -0.76 -2.38 115.64 109.16 1f4h s THR 855 Ca 0.28 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1f4h s THR 855 Cb 0.08 -0.28 -0.03 0.00 1.34 0.00 0.00 72.50 73.61 1f4h s THR 855 CO 0.14 0.03 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.88 1f4h s TYR 856 N 0.63 2.95 -0.20 3.99 1.51 0.22 -1.48 117.35 124.96 1f4h s TYR 856 Ca -0.04 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1f4h s TYR 856 Cb -0.06 -1.81 0.06 0.00 -0.11 0.00 0.00 41.96 40.04 1f4h s TYR 856 CO -0.03 0.14 -0.01 0.50 -1.11 0.00 0.00 175.55 175.03 1f4h s ARG 857 N -0.26 1.11 -0.26 -0.62 3.52 0.13 -0.43 118.95 122.14 1f4h s ARG 857 Ca 0.04 -0.63 -0.07 0.00 -0.13 0.00 0.00 55.73 54.94 1f4h s ARG 857 Cb -0.13 -2.24 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 1f4h s ARG 857 CO 0.03 -0.59 0.06 0.42 -0.81 0.00 0.00 175.30 174.41 1f4h s ILE 858 N 1.66 4.08 0.51 4.11 -1.09 -1.00 0.66 121.20 130.13 1f4h s ILE 858 Ca -0.02 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 1f4h s ILE 858 Cb -0.17 -2.98 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 1f4h s ILE 858 CO -0.07 0.24 0.16 -0.90 -1.23 0.00 0.00 174.94 173.14 1f4h n ASP 859 N 4.89 3.11 -0.22 3.58 5.75 -0.88 -0.02 116.55 132.76 1f4h n ASP 859 Ca -0.16 -3.04 0.31 0.00 -0.01 0.00 0.00 54.79 51.89 1f4h n ASP 859 Cb 0.50 0.19 0.65 0.00 -1.03 0.00 0.00 41.12 41.43 1f4h n ASP 859 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1f4h h GLY 860 N 0.97 0.00 -0.75 6.12 0.00 -1.81 1.96 103.07 109.56 1f4h h GLY 860 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1f4h h GLY 860 CO 0.62 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.02 1f4h n SER 861 N -3.68 1.61 -3.63 0.19 3.41 -1.26 -4.54 113.62 105.72 1f4h n SER 861 Ca 0.22 -1.69 -0.22 0.00 -0.26 0.00 0.00 58.87 56.92 1f4h n SER 861 Cb 1.27 -0.10 0.06 0.00 -0.26 0.00 0.00 64.21 65.19 1f4h n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f4h n GLY 862 N 1.12 -0.42 3.24 5.00 0.00 0.67 -4.97 105.19 109.83 1f4h n GLY 862 Ca 0.16 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 1f4h n GLY 862 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f4h s GLN 863 N -5.99 3.04 -0.16 1.61 0.74 -1.23 -4.61 119.66 113.05 1f4h s GLN 863 Ca 0.27 -0.86 -0.04 0.00 0.05 0.00 0.00 55.36 54.78 1f4h s GLN 863 Cb -0.13 -2.32 -0.03 0.00 1.10 0.00 0.00 33.01 31.64 1f4h s GLN 863 CO 0.77 0.20 -0.04 0.00 -0.55 0.00 0.00 175.29 175.68 1f4h s MET 864 N 0.29 3.64 -0.28 1.67 0.23 0.33 -2.07 119.30 123.12 1f4h s MET 864 Ca -0.17 -0.53 -0.08 0.00 -1.03 0.00 0.00 55.69 53.89 1f4h s MET 864 Cb -0.17 -2.93 -0.01 0.00 -1.53 0.00 0.00 34.83 30.18 1f4h s MET 864 CO 0.08 0.19 0.09 0.00 -2.03 0.00 0.00 175.02 173.35 1f4h s ALA 865 N 0.50 3.14 -0.21 3.16 0.00 0.21 0.13 121.76 128.70 1f4h s ALA 865 Ca -0.03 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.58 1f4h s ALA 865 Cb -0.14 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 1f4h s ALA 865 CO 0.03 -0.71 0.05 0.42 0.00 0.00 0.00 175.76 175.56 1f4h s ILE 866 N 1.58 4.49 -0.08 0.00 1.01 0.84 0.18 121.20 129.22 1f4h s ILE 866 Ca 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.61 1f4h s ILE 866 Cb -0.16 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1f4h s ILE 866 CO 0.04 0.41 -0.20 -0.89 0.00 0.00 0.00 174.94 174.30 1f4h s THR 867 N 0.87 1.72 0.05 2.92 2.01 -0.55 0.38 115.64 123.03 1f4h s THR 867 Ca 0.03 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1f4h s THR 867 Cb -0.14 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1f4h s THR 867 CO 0.02 0.48 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.64 1f4h s VAL 868 N 0.33 0.86 -0.26 3.82 1.01 0.59 -1.84 120.40 124.91 1f4h s VAL 868 Ca -0.14 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 1f4h s VAL 868 Cb -0.16 -0.84 0.13 0.00 0.00 0.00 0.00 36.38 35.52 1f4h s VAL 868 CO 0.06 -0.19 0.33 -1.81 0.00 0.00 0.00 175.10 173.49 1f4h s ASP 869 N -1.39 0.95 -0.09 3.32 1.11 -0.82 -0.95 116.67 118.80 1f4h s ASP 869 Ca -0.03 -0.30 -0.09 0.00 0.18 0.00 0.00 52.55 52.30 1f4h s ASP 869 Cb -0.09 0.78 -0.04 0.00 1.07 0.00 0.00 42.92 44.64 1f4h s ASP 869 CO 0.01 -0.35 0.21 -0.69 1.18 0.00 0.00 175.17 175.54 1f4h s VAL 870 N 2.44 5.38 -0.14 -1.27 1.01 -0.19 -2.41 120.40 125.22 1f4h s VAL 870 Ca 0.10 0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 1f4h s VAL 870 Cb -0.14 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1f4h s VAL 870 CO -0.24 0.59 -0.02 -1.61 0.00 0.00 0.00 175.10 173.82 1f4h s GLU 871 N -0.93 3.54 -0.20 2.72 2.02 0.59 -1.79 118.70 124.64 1f4h s GLU 871 Ca 0.17 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1f4h s GLU 871 Cb -0.13 -2.90 0.04 0.00 0.10 0.00 0.00 34.13 31.23 1f4h s GLU 871 CO 0.06 0.35 -0.14 0.08 0.02 0.00 0.00 175.26 175.62 1f4h s VAL 872 N 0.08 1.92 -0.14 2.63 1.01 0.95 -0.67 120.40 126.19 1f4h s VAL 872 Ca 0.00 -1.10 -0.34 0.00 0.00 0.00 0.00 61.98 60.54 1f4h s VAL 872 Cb -0.13 -1.89 -0.12 0.00 0.00 0.00 0.00 36.38 34.24 1f4h s VAL 872 CO 0.02 0.28 1.92 0.00 0.00 0.00 0.00 175.10 177.33 1f4h n ALA 873 N 4.61 0.86 -0.32 5.51 0.00 -0.43 -4.47 120.51 126.28 1f4h n ALA 873 Ca -0.17 0.23 0.02 0.00 0.00 0.00 0.00 53.44 53.52 1f4h n ALA 873 Cb 0.47 -2.51 0.09 0.00 0.00 0.00 0.00 19.45 17.50 1f4h n ALA 873 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1f4h h SER 874 N 9.70 -1.02 -0.14 0.00 0.87 -1.96 -1.56 113.55 119.45 1f4h h SER 874 Ca -0.46 0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.29 1f4h h SER 874 Cb 1.28 0.61 -0.04 0.00 -0.44 0.00 0.00 62.40 63.80 1f4h h SER 874 CO 0.96 -0.30 0.10 -0.90 -0.53 0.00 0.00 176.83 176.17 1f4h n ASP 875 N -5.53 4.05 -4.20 6.23 3.85 -1.26 -4.81 116.55 114.88 1f4h n ASP 875 Ca 0.12 -2.36 -0.23 0.00 -0.71 0.00 0.00 54.79 51.61 1f4h n ASP 875 Cb 0.43 -0.75 -0.13 0.00 -1.35 0.00 0.00 41.12 39.31 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 -0.54 1.39 0.52 2.12 -1.32 -0.59 -5.10 115.64 112.12 1f4h s THR 876 Ca 0.08 -1.15 -0.21 0.00 -1.21 0.00 0.00 61.69 59.21 1f4h s THR 876 Cb 0.07 -1.24 -0.08 0.00 -1.51 0.00 0.00 72.50 69.74 1f4h s THR 876 CO 0.01 0.07 0.95 -2.65 -2.21 0.00 0.00 174.62 170.79 1f4h n PRO 877 N 1.77 1.09 -2.21 7.08 -0.02 -1.26 -4.88 135.00 136.57 1f4h n PRO 877 Ca -0.18 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 1f4h n PRO 877 Cb 0.54 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.43 3.21 0.51 6.00 3.76 -1.26 -4.98 115.29 121.10 1f4h s HIS 878 Ca 0.69 1.43 -0.21 0.00 -0.15 0.00 0.00 55.06 56.82 1f4h s HIS 878 Cb -0.48 -3.58 -0.06 0.00 1.11 0.00 0.00 32.58 29.57 1f4h s HIS 878 CO 0.52 -1.60 1.21 -1.25 -0.85 0.00 0.00 174.74 172.77 1f4h s PRO 879 N -1.34 3.43 0.48 8.40 0.04 -1.26 -4.87 135.00 139.87 1f4h s PRO 879 Ca 0.50 1.86 0.26 0.00 0.04 0.00 0.00 61.00 63.65 1f4h s PRO 879 Cb -0.37 -2.23 1.14 0.00 0.04 0.00 0.00 34.50 33.08 1f4h s PRO 879 CO 0.47 -0.85 1.92 0.00 0.04 0.00 0.00 177.00 178.59 1f4h h ALA 880 N 1.59 1.10 -2.23 8.56 0.00 -1.88 -3.41 119.26 122.99 1f4h h ALA 880 Ca -0.50 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.45 1f4h h ALA 880 Cb 1.27 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1f4h h ALA 880 CO 0.58 0.22 0.53 -0.98 0.00 0.00 0.00 179.25 179.60 1f4h s ARG 881 N -3.83 1.10 -0.15 0.00 1.70 -1.19 0.49 118.95 117.07 1f4h s ARG 881 Ca -0.01 -0.61 -0.04 0.00 -0.47 0.00 0.00 55.73 54.60 1f4h s ARG 881 Cb 0.11 0.37 0.07 0.00 -0.57 0.00 0.00 34.95 34.93 1f4h s ARG 881 CO 0.61 -0.50 0.15 0.42 -1.08 0.00 0.00 175.30 174.90 1f4h s ILE 882 N -3.16 -0.22 -2.05 4.99 1.01 0.18 -4.01 121.20 117.95 1f4h s ILE 882 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1f4h s ILE 882 Cb -0.01 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.96 1f4h s ILE 882 CO 0.02 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.46 1f4h n GLY 883 N 5.31 -0.56 3.47 6.18 0.00 -0.92 0.10 105.19 118.77 1f4h n GLY 883 Ca -0.06 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1f4h n GLY 883 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1f4h s LEU 884 N 0.00 2.17 0.14 0.99 0.05 0.16 0.14 118.68 122.32 1f4h s LEU 884 Ca 0.00 -1.42 -0.17 0.00 0.05 0.00 0.00 54.13 52.59 1f4h s LEU 884 Cb 0.00 -0.36 0.04 0.00 -2.05 0.00 0.00 46.19 43.82 1f4h s LEU 884 CO 0.00 -0.65 0.44 0.54 -0.55 0.00 0.00 176.35 176.13 1f4h s ASN 885 N -3.51 -0.29 0.20 1.48 4.22 -0.24 0.48 114.94 117.27 1f4h s ASN 885 Ca 0.34 -0.28 -0.23 0.00 -2.14 0.00 0.00 52.86 50.55 1f4h s ASN 885 Cb 0.08 0.50 0.05 0.00 1.28 0.00 0.00 41.25 43.16 1f4h s ASN 885 CO 0.15 -0.89 0.85 0.00 -2.04 0.00 0.00 177.10 175.18 1f4h s GLN 887 N -3.55 2.98 0.00 0.00 0.74 -1.26 -0.36 119.66 118.22 1f4h s GLN 887 Ca 0.11 -0.95 -0.30 0.00 0.05 0.00 0.00 55.36 54.27 1f4h s GLN 887 Cb -0.03 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 1f4h s GLN 887 CO 0.04 -0.55 1.20 -0.51 -0.55 0.00 0.00 175.29 174.92 1f4h s LEU 888 N 1.52 4.33 0.43 3.68 1.43 1.50 -1.09 118.68 130.47 1f4h s LEU 888 Ca 0.02 1.91 0.15 0.00 -1.03 0.00 0.00 54.13 55.18 1f4h s LEU 888 Cb -0.18 -3.57 1.04 0.00 0.03 0.00 0.00 46.19 43.51 1f4h s LEU 888 CO 0.04 -0.52 1.94 0.00 0.23 0.00 0.00 176.35 178.04 1f4h h ALA 889 N 7.14 2.08 -2.15 4.21 0.00 0.18 1.14 119.26 131.85 1f4h h ALA 889 Ca -0.38 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.09 1f4h h ALA 889 Cb 1.19 -0.07 0.17 0.00 0.00 0.00 0.00 17.79 19.08 1f4h h ALA 889 CO 0.84 -0.26 0.27 -0.65 0.00 0.00 0.00 179.25 179.46 1f4h s GLN 890 N -5.41 0.01 -0.29 0.00 1.11 -1.26 -4.53 119.66 109.29 1f4h s GLN 890 Ca -0.08 -0.08 0.03 0.00 0.01 0.00 0.00 55.36 55.24 1f4h s GLN 890 Cb 0.21 -1.74 0.20 0.00 -1.01 0.00 0.00 33.01 30.66 1f4h s GLN 890 CO 0.76 -2.89 0.64 0.08 0.01 0.00 0.00 175.29 173.89 1f4h s VAL 891 N -3.36 -0.93 0.53 1.09 1.01 -1.26 -2.61 120.40 114.87 1f4h s VAL 891 Ca 0.70 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.77 1f4h s VAL 891 Cb -0.09 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.41 1f4h s VAL 891 CO 0.54 0.00 0.70 0.00 0.00 0.00 0.00 175.10 176.34 1f4h s ALA 892 N 2.85 4.63 -0.16 5.51 0.00 -1.26 -5.06 121.76 128.27 1f4h s ALA 892 Ca 0.13 -1.97 0.17 0.00 0.00 0.00 0.00 51.96 50.29 1f4h s ALA 892 Cb -0.10 -1.44 -0.25 0.00 0.00 0.00 0.00 23.12 21.34 1f4h s ALA 892 CO -0.25 -0.67 0.21 -1.91 0.00 0.00 0.00 175.76 173.14 1f4h n GLU 893 N -2.09 0.68 -4.40 0.00 2.13 -1.26 -4.73 120.64 110.97 1f4h n GLU 893 Ca 0.12 0.05 -0.23 0.00 0.66 0.00 0.00 57.16 57.76 1f4h n GLU 893 Cb 0.61 -1.58 -0.11 0.00 0.27 0.00 0.00 31.44 30.63 1f4h n GLU 893 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1f4h s ARG 894 N -2.54 1.46 -0.08 5.31 1.81 -1.26 -1.08 118.95 122.57 1f4h s ARG 894 Ca -0.09 -1.57 0.01 0.00 -1.72 0.00 0.00 55.73 52.36 1f4h s ARG 894 Cb 0.07 -1.54 0.02 0.00 -0.45 0.00 0.00 34.95 33.05 1f4h s ARG 894 CO 0.83 0.30 -0.08 0.08 -0.68 0.00 0.00 175.30 175.75 1f4h s VAL 895 N -2.25 0.95 -0.11 3.52 1.01 0.29 -4.63 120.40 119.18 1f4h s VAL 895 Ca 0.22 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1f4h s VAL 895 Cb -0.05 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1f4h s VAL 895 CO 0.10 0.33 -0.15 0.21 0.00 0.00 0.00 175.10 175.59 1f4h s ASN 896 N 1.18 2.43 0.04 3.32 3.84 -1.05 -0.79 114.94 123.91 1f4h s ASN 896 Ca -0.05 -0.43 -0.05 0.00 0.21 0.00 0.00 52.86 52.54 1f4h s ASN 896 Cb -0.14 -1.09 -0.01 0.00 -0.55 0.00 0.00 41.25 39.46 1f4h s ASN 896 CO -0.02 0.01 0.09 -1.66 -2.79 0.00 0.00 177.10 172.74 1f4h s TRP 897 N 1.00 0.22 -0.49 0.43 -2.14 -0.50 0.14 118.94 117.61 1f4h s TRP 897 Ca -0.06 -0.56 -0.09 0.00 2.66 0.00 0.00 56.10 58.05 1f4h s TRP 897 Cb -0.15 -0.16 0.12 0.00 -3.10 0.00 0.00 33.47 30.19 1f4h s TRP 897 CO -0.02 -0.38 0.36 -1.17 -2.66 0.00 0.00 176.95 173.08 1f4h s LEU 898 N -2.26 5.72 0.00 -4.66 2.96 0.42 -1.19 118.68 119.67 1f4h s LEU 898 Ca -0.03 -1.97 0.00 0.00 -0.22 0.00 0.00 54.13 51.91 1f4h s LEU 898 Cb 0.00 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1f4h s LEU 898 CO -0.06 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 174.90 1f4h n GLY 899 N 4.84 1.12 3.73 7.98 0.00 -0.72 -0.19 105.19 121.95 1f4h n GLY 899 Ca -0.07 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 4.48 0.00 0.99 1.43 -1.08 0.69 118.68 125.18 1f4h s LEU 900 Ca 0.00 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 1f4h s LEU 900 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1f4h s LEU 900 CO 0.00 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1f4h n GLY 901 N 2.35 1.02 0.24 -3.19 0.00 0.19 -4.30 105.19 101.49 1f4h n GLY 901 Ca 0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 0.77 -7.02 1.61 0.13 -1.93 -0.82 132.00 124.73 1f4h h PRO 902 Ca 0.00 -0.46 -0.47 0.00 -0.87 0.00 0.00 66.00 64.19 1f4h h PRO 902 Cb 0.00 0.05 0.22 0.00 0.13 0.00 0.00 31.00 31.39 1f4h h PRO 902 CO 0.00 1.09 -0.25 0.00 -0.23 0.00 0.00 178.00 178.61 1f4h n GLN 903 N -4.00 -1.57 -1.87 0.86 -0.00 -1.26 -4.98 117.38 104.55 1f4h n GLN 903 Ca -0.03 -0.42 -0.41 0.00 -0.00 0.00 0.00 57.00 56.14 1f4h n GLN 903 Cb 0.60 -2.08 -0.00 0.00 -0.00 0.00 0.00 30.24 28.76 1f4h n GLN 903 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1f4h s GLU 904 N -4.16 4.04 -0.21 2.61 2.12 -1.26 -4.79 118.70 117.04 1f4h s GLU 904 Ca 0.64 2.45 -0.14 0.00 0.36 0.00 0.00 54.97 58.28 1f4h s GLU 904 Cb -0.22 -2.89 0.06 0.00 0.26 0.00 0.00 34.13 31.34 1f4h s GLU 904 CO 0.64 -0.54 0.53 0.54 -0.54 0.00 0.00 175.26 175.89 1f4h s ASN 905 N -0.33 -0.66 0.46 -1.70 2.20 0.17 -4.96 114.94 110.12 1f4h s ASN 905 Ca 0.54 1.14 0.07 0.00 -0.94 0.00 0.00 52.86 53.67 1f4h s ASN 905 Cb -0.44 1.05 -0.02 0.00 -2.00 0.00 0.00 41.25 39.85 1f4h s ASN 905 CO 0.59 -0.21 0.29 -0.31 -2.94 0.00 0.00 177.10 174.52 1f4h s TYR 906 N 1.16 2.32 0.17 1.54 1.51 -0.96 -3.77 117.35 119.31 1f4h s TYR 906 Ca -0.07 -0.65 -0.10 0.00 -1.01 0.00 0.00 57.07 55.23 1f4h s TYR 906 Cb -0.06 -1.99 0.05 0.00 -0.11 0.00 0.00 41.96 39.85 1f4h s TYR 906 CO -0.11 -0.08 1.63 -1.35 -1.11 0.00 0.00 175.55 174.53 1f4h h PRO 907 N 1.12 1.00 -0.16 -1.71 0.11 -1.86 -0.25 132.00 130.25 1f4h h PRO 907 Ca -0.41 -0.31 0.00 0.00 0.11 0.00 0.00 66.00 65.39 1f4h h PRO 907 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1f4h h PRO 907 CO 0.63 0.99 0.00 -0.40 -0.21 0.00 0.00 178.00 179.01 1f4h n ASP 908 N -4.25 1.50 -3.19 -2.05 5.75 -1.26 -4.28 116.55 108.78 1f4h n ASP 908 Ca 0.02 -1.70 -0.22 0.00 -0.01 0.00 0.00 54.79 52.89 1f4h n ASP 908 Cb 0.33 -0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 40.26 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 0.22 0.83 -0.35 0.11 0.63 -0.19 -1.29 116.66 116.62 1f4h n ARG 909 Ca 0.15 -3.29 0.00 0.00 -0.92 0.00 0.00 57.85 53.79 1f4h n ARG 909 Cb 0.30 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.78 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 0.93 0.00 0.26 6.15 -0.00 -0.67 -2.28 117.00 121.40 1f4h n LEU 910 Ca 0.23 -0.70 0.15 0.00 -0.00 0.00 0.00 56.01 55.68 1f4h n LEU 910 Cb 0.58 0.00 0.61 0.00 -0.00 0.00 0.00 43.42 44.61 1f4h n LEU 910 CO 0.19 0.18 0.93 0.71 -0.00 0.00 0.00 177.39 179.40 1f4h h THR 911 N 5.80 0.22 0.00 1.47 1.35 -1.90 -3.09 112.91 116.75 1f4h h THR 911 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1f4h h THR 911 Cb 1.28 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1f4h h THR 911 CO 0.00 0.08 -0.32 0.00 -0.25 0.00 0.00 175.52 175.03 1f4h n ALA 912 N -2.15 2.82 -1.81 6.62 0.00 -1.26 -4.88 120.51 119.85 1f4h n ALA 912 Ca 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 1f4h n ALA 912 Cb 0.34 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.07 3.00 0.01 0.00 0.00 -1.17 -4.96 121.76 115.57 1f4h s ALA 913 Ca 0.10 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.39 1f4h s ALA 913 Cb 0.16 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1f4h s ALA 913 CO 0.65 -0.30 -0.22 0.00 0.00 0.00 0.00 175.76 175.89 1f4h s PHE 915 N -0.65 3.40 0.00 0.00 5.36 -1.26 0.53 117.98 125.36 1f4h s PHE 915 Ca 0.08 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 1f4h s PHE 915 Cb -0.09 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.56 1f4h s PHE 915 CO 0.01 -0.28 0.00 -3.47 -1.46 0.00 0.00 175.22 170.01 1f4h n ASP 916 N 5.43 0.00 -4.55 6.13 -0.08 0.22 -4.92 116.55 118.78 1f4h n ASP 916 Ca 0.05 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.90 1f4h n ASP 916 Cb 0.48 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.90 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 -2.00 3.45 0.00 -0.67 3.52 -1.26 -1.75 118.95 120.24 1f4h s ARG 917 Ca 0.00 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 1f4h s ARG 917 Cb 0.00 -3.97 -0.03 0.00 -1.56 0.00 0.00 34.95 29.39 1f4h s ARG 917 CO 0.00 -1.27 -0.08 -1.58 -0.81 0.00 0.00 175.30 171.56 1f4h s TRP 918 N 3.70 2.86 -0.10 5.12 0.52 -0.33 -4.99 118.94 125.73 1f4h s TRP 918 Ca 0.34 -0.05 -0.01 0.00 0.02 0.00 0.00 56.10 56.39 1f4h s TRP 918 Cb -0.11 -1.60 0.03 0.00 -1.15 0.00 0.00 33.47 30.64 1f4h s TRP 918 CO 0.24 0.36 -0.00 0.34 0.02 0.00 0.00 176.95 177.90 1f4h s ASP 919 N -1.38 1.87 0.04 2.95 -1.08 -1.26 -1.41 116.67 116.41 1f4h s ASP 919 Ca 0.17 -0.23 -0.13 0.00 -0.52 0.00 0.00 52.55 51.83 1f4h s ASP 919 Cb -0.11 -0.52 0.02 0.00 -1.46 0.00 0.00 42.92 40.85 1f4h s ASP 919 CO 0.07 -0.20 0.29 -0.76 0.52 0.00 0.00 175.17 175.09 1f4h s LEU 920 N 1.92 0.92 0.39 -1.34 1.43 0.03 -5.01 118.68 117.02 1f4h s LEU 920 Ca 0.04 -0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 52.69 1f4h s LEU 920 Cb -0.13 1.31 -0.09 0.00 0.03 0.00 0.00 46.19 47.31 1f4h s LEU 920 CO -0.06 -0.60 1.28 -2.84 0.23 0.00 0.00 176.35 174.36 1f4h s PRO 921 N -2.47 4.07 0.31 1.29 0.02 -1.26 0.10 135.00 137.05 1f4h s PRO 921 Ca -0.06 2.13 0.07 0.00 0.02 0.00 0.00 61.00 63.16 1f4h s PRO 921 Cb -0.01 -2.82 0.83 0.00 0.02 0.00 0.00 34.50 32.52 1f4h s PRO 921 CO -0.03 -0.40 1.68 1.25 -0.33 0.00 0.00 177.00 179.17 1f4h h LEU 922 N 2.83 0.36 -1.79 -5.54 5.85 -1.39 0.43 115.31 116.06 1f4h h LEU 922 Ca -0.49 0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.53 1f4h h LEU 922 Cb 1.24 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1f4h h LEU 922 CO 0.63 -0.05 0.42 0.28 -0.34 0.00 0.00 178.44 179.38 1f4h h SER 923 N 0.37 0.20 1.25 1.25 0.02 -1.92 -1.38 113.55 113.35 1f4h h SER 923 Ca 0.61 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 1f4h h SER 923 Cb 1.24 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1f4h h SER 923 CO -0.56 0.11 -0.16 0.47 -1.14 0.00 0.00 176.83 175.55 1f4h n ASP 924 N -4.43 0.69 -0.40 3.07 8.00 0.15 -3.30 116.55 120.33 1f4h n ASP 924 Ca 0.11 0.44 0.06 0.00 0.71 0.00 0.00 54.79 56.11 1f4h n ASP 924 Cb 0.53 -0.51 0.22 0.00 -0.02 0.00 0.00 41.12 41.33 1f4h n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1f4h n MET 925 N -2.12 1.50 -4.77 -1.24 2.81 -0.52 -4.78 117.12 108.00 1f4h n MET 925 Ca 0.05 -0.78 -0.26 0.00 -1.81 0.00 0.00 57.70 54.90 1f4h n MET 925 Cb 0.42 -1.24 -0.17 0.00 -0.71 0.00 0.00 33.22 31.53 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 -1.75 1.74 -0.42 2.03 5.04 -1.21 -4.52 117.35 118.26 1f4h s TYR 926 Ca 0.20 -0.63 -0.15 0.00 -2.44 0.00 0.00 57.07 54.06 1f4h s TYR 926 Cb 0.11 -1.22 0.03 0.00 0.35 0.00 0.00 41.96 41.23 1f4h s TYR 926 CO 0.15 -0.28 0.31 0.99 -1.34 0.00 0.00 175.55 175.38 1f4h s THR 927 N 0.45 5.21 -0.68 4.34 2.01 -1.26 -4.97 115.64 120.74 1f4h s THR 927 Ca -0.13 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.02 1f4h s THR 927 Cb -0.15 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1f4h s THR 927 CO 0.04 -0.36 1.85 -0.81 -0.69 0.00 0.00 174.62 174.66 1f4h n PRO 928 N 5.16 1.49 -2.15 4.92 -0.04 -1.26 -4.87 135.00 138.24 1f4h n PRO 928 Ca -0.11 -1.37 -0.40 0.00 -0.04 0.00 0.00 63.50 61.58 1f4h n PRO 928 Cb 0.46 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1f4h n PRO 928 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1f4h s TYR 929 N 4.25 1.87 0.03 0.54 4.12 -1.26 -4.80 117.35 122.10 1f4h s TYR 929 Ca 0.39 0.64 0.01 0.00 0.02 0.00 0.00 57.07 58.12 1f4h s TYR 929 Cb 0.10 -4.20 0.08 0.00 -1.52 0.00 0.00 41.96 36.42 1f4h s TYR 929 CO 0.03 -2.32 0.13 0.28 0.02 0.00 0.00 175.55 173.69 1f4h n VAL 930 N 7.11 -0.04 -3.40 0.71 0.31 -1.26 -1.07 118.33 120.69 1f4h n VAL 930 Ca 0.18 0.18 -0.45 0.00 -0.01 0.00 0.00 64.34 64.24 1f4h n VAL 930 Cb 0.50 -0.27 -0.03 0.00 -0.91 0.00 0.00 33.84 33.13 1f4h n VAL 930 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1f4h s PHE 931 N -4.53 3.71 0.12 3.52 5.36 -1.26 -1.70 117.98 123.21 1f4h s PHE 931 Ca -0.01 -2.16 -0.34 0.00 -0.96 0.00 0.00 56.93 53.46 1f4h s PHE 931 Cb 0.03 -3.70 -0.17 0.00 -0.34 0.00 0.00 43.02 38.83 1f4h s PHE 931 CO 0.07 -0.96 1.01 -2.30 -1.46 0.00 0.00 175.22 171.58 1f4h n PRO 932 N 3.82 0.56 -3.87 10.12 -0.02 -0.24 -4.94 135.00 140.44 1f4h n PRO 932 Ca 0.13 0.20 -0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1f4h n PRO 932 Cb 0.45 -1.61 0.01 0.00 -0.02 0.00 0.00 33.50 32.33 1f4h n PRO 932 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1f4h s SER 933 N -0.18 0.14 0.43 2.55 1.04 -1.26 -4.75 113.70 111.68 1f4h s SER 933 Ca 0.78 -1.16 -0.24 0.00 0.48 0.00 0.00 55.95 55.81 1f4h s SER 933 Cb -1.00 0.80 -0.10 0.00 0.10 0.00 0.00 66.02 65.82 1f4h s SER 933 CO 0.54 -1.58 1.00 1.21 0.98 0.00 0.00 173.24 175.39 1f4h n GLU 934 N -0.53 1.31 -3.89 4.02 4.07 0.11 -4.93 120.64 120.81 1f4h n GLU 934 Ca -0.06 0.47 -0.01 0.00 -0.06 0.00 0.00 57.16 57.50 1f4h n GLU 934 Cb 0.60 -2.04 0.01 0.00 -0.06 0.00 0.00 31.44 29.95 1f4h n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1f4h s ASN 935 N -0.77 -0.01 0.00 4.31 2.20 -1.26 -4.89 114.94 114.52 1f4h s ASN 935 Ca 0.64 -0.50 0.00 0.00 -0.94 0.00 0.00 52.86 52.06 1f4h s ASN 935 Cb -0.55 0.38 0.00 0.00 -2.00 0.00 0.00 41.25 39.08 1f4h s ASN 935 CO 0.56 -0.75 0.00 0.61 -2.94 0.00 0.00 177.10 174.58 1f4h n GLY 936 N -0.74 0.22 3.52 0.45 0.00 -1.26 -4.82 105.19 102.57 1f4h n GLY 936 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 1.23 -3.90 0.99 7.94 -1.26 -4.72 117.00 117.29 1f4h n LEU 937 Ca 0.00 0.93 -0.25 0.00 -1.11 0.00 0.00 56.01 55.59 1f4h n LEU 937 Cb 0.25 -1.22 -0.17 0.00 0.53 0.00 0.00 43.42 42.81 1f4h n LEU 937 CO 0.00 -2.33 -0.43 -0.13 -1.11 0.00 0.00 177.39 173.39 1f4h s ARG 938 N -1.86 1.26 0.29 1.96 1.81 -0.55 0.43 118.95 122.30 1f4h s ARG 938 Ca 0.65 -0.18 0.06 0.00 -1.72 0.00 0.00 55.73 54.54 1f4h s ARG 938 Cb -0.56 -1.31 -0.02 0.00 -0.45 0.00 0.00 34.95 32.61 1f4h s ARG 938 CO 0.56 -0.19 0.38 0.00 -0.68 0.00 0.00 175.30 175.37 1f4h n GLY 940 N -1.47 -0.33 3.71 0.00 0.00 -1.02 -2.65 105.19 103.43 1f4h n GLY 940 Ca -0.04 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.60 5.12 -0.11 2.61 2.01 0.68 -4.10 115.64 118.26 1f4h s THR 941 Ca 0.12 1.18 0.20 0.00 0.31 0.00 0.00 61.69 63.50 1f4h s THR 941 Cb -0.06 -3.92 -0.24 0.00 0.01 0.00 0.00 72.50 68.29 1f4h s THR 941 CO 0.81 0.28 0.53 0.54 -0.69 0.00 0.00 174.62 176.09 1f4h n ARG 942 N 3.82 0.65 -3.54 4.92 5.12 0.74 -1.28 116.66 127.10 1f4h n ARG 942 Ca -0.04 -0.05 -0.16 0.00 -1.93 0.00 0.00 57.85 55.67 1f4h n ARG 942 Cb 0.51 -1.61 -0.06 0.00 -1.16 0.00 0.00 32.46 30.15 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 -3.19 0.92 -0.28 5.56 2.12 -0.86 -2.18 118.70 120.79 1f4h s GLU 943 Ca -0.07 0.22 -0.18 0.00 0.36 0.00 0.00 54.97 55.31 1f4h s GLU 943 Cb 0.11 0.43 0.10 0.00 0.26 0.00 0.00 34.13 35.03 1f4h s GLU 943 CO 0.86 -0.29 0.79 -1.17 -0.54 0.00 0.00 175.26 174.91 1f4h s LEU 944 N -1.17 -0.78 -0.11 2.70 2.96 -1.08 0.16 118.68 121.35 1f4h s LEU 944 Ca -0.08 1.30 -0.00 0.00 -0.22 0.00 0.00 54.13 55.12 1f4h s LEU 944 Cb -0.00 2.22 -0.02 0.00 0.50 0.00 0.00 46.19 48.88 1f4h s LEU 944 CO 0.07 -0.21 -0.09 0.20 -1.32 0.00 0.00 176.35 175.00 1f4h s ASN 945 N 1.27 4.40 -0.10 3.68 0.01 0.12 -1.82 114.94 122.50 1f4h s ASN 945 Ca -0.07 -0.17 -0.04 0.00 -0.71 0.00 0.00 52.86 51.87 1f4h s ASN 945 Cb -0.05 -1.43 0.05 0.00 0.41 0.00 0.00 41.25 40.23 1f4h s ASN 945 CO -0.15 0.24 0.17 -0.47 -1.51 0.00 0.00 177.10 175.38 1f4h s TYR 946 N -0.11 -0.18 0.00 2.20 5.04 -0.40 -2.54 117.35 121.36 1f4h s TYR 946 Ca 0.00 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 1f4h s TYR 946 Cb -0.13 -0.28 0.00 0.00 0.35 0.00 0.00 41.96 41.90 1f4h s TYR 946 CO 0.03 -0.31 0.00 0.41 -1.34 0.00 0.00 175.55 174.34 1f4h n GLY 947 N 5.32 3.92 0.56 8.97 0.00 -1.26 0.73 105.19 123.44 1f4h n GLY 947 Ca -0.05 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1f4h n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f4h n PRO 948 N 14.00 1.75 -3.80 1.61 -0.04 -1.26 -4.89 135.00 142.38 1f4h n PRO 948 Ca 0.00 -1.11 -0.29 0.00 -0.04 0.00 0.00 63.50 62.05 1f4h n PRO 948 Cb 0.00 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 1f4h n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1f4h s HIS 949 N -1.87 3.49 -0.15 0.54 3.76 0.22 -2.86 115.29 118.43 1f4h s HIS 949 Ca 0.35 0.33 -0.07 0.00 -0.15 0.00 0.00 55.06 55.52 1f4h s HIS 949 Cb 0.19 -1.83 0.06 0.00 1.11 0.00 0.00 32.58 32.11 1f4h s HIS 949 CO 0.30 0.48 0.35 -1.14 -0.85 0.00 0.00 174.74 173.87 1f4h s GLN 950 N -2.89 0.30 -0.05 1.40 0.74 -0.22 -1.27 119.66 117.68 1f4h s GLN 950 Ca 0.37 0.75 0.05 0.00 0.05 0.00 0.00 55.36 56.58 1f4h s GLN 950 Cb -0.12 0.00 -0.02 0.00 1.10 0.00 0.00 33.01 33.97 1f4h s GLN 950 CO 0.28 -0.19 -0.17 -1.58 -0.55 0.00 0.00 175.29 173.07 1f4h s TRP 951 N 1.67 2.62 0.02 1.67 0.51 -0.76 -1.38 118.94 123.29 1f4h s TRP 951 Ca -0.07 -0.25 0.02 0.00 -2.12 0.00 0.00 56.10 53.68 1f4h s TRP 951 Cb -0.10 -1.61 -0.01 0.00 -0.81 0.00 0.00 33.47 30.94 1f4h s TRP 951 CO -0.11 0.12 -0.06 1.03 -0.51 0.00 0.00 176.95 177.41 1f4h s ARG 952 N -0.66 0.46 0.00 4.98 0.52 -0.46 -2.64 118.95 121.14 1f4h s ARG 952 Ca 0.10 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1f4h s ARG 952 Cb -0.11 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.04 1f4h s ARG 952 CO 0.00 0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1f4h n GLY 953 N 2.16 0.07 3.04 -3.53 0.00 -0.93 -1.59 105.19 104.41 1f4h n GLY 953 Ca -0.18 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 2.60 -0.03 1.61 -1.08 -1.25 -3.54 116.67 110.98 1f4h s ASP 954 Ca 0.00 -0.47 -0.16 0.00 -0.52 0.00 0.00 52.55 51.40 1f4h s ASP 954 Cb 0.00 -1.15 0.05 0.00 -1.46 0.00 0.00 42.92 40.36 1f4h s ASP 954 CO 0.00 -0.02 0.74 2.22 0.52 0.00 0.00 175.17 178.62 1f4h n PHE 955 N 4.52 -0.19 -4.80 -5.34 1.16 -0.40 -4.77 117.46 107.63 1f4h n PHE 955 Ca -0.18 -0.36 -0.28 0.00 -1.87 0.00 0.00 57.45 54.77 1f4h n PHE 955 Cb 0.51 0.16 -0.15 0.00 -1.61 0.00 0.00 39.48 38.39 1f4h n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1f4h s GLN 956 N -2.01 1.60 0.25 3.97 -1.52 0.39 0.25 119.66 122.59 1f4h s GLN 956 Ca 0.17 -0.99 -0.05 0.00 -1.95 0.00 0.00 55.36 52.55 1f4h s GLN 956 Cb -0.00 -1.71 -0.02 0.00 -0.22 0.00 0.00 33.01 31.05 1f4h s GLN 956 CO -0.01 0.44 0.33 -0.59 -0.25 0.00 0.00 175.29 175.21 1f4h s PHE 957 N -0.77 0.90 -0.28 0.91 -0.12 -0.93 0.41 117.98 118.11 1f4h s PHE 957 Ca 0.09 -1.15 -0.20 0.00 -0.05 0.00 0.00 56.93 55.62 1f4h s PHE 957 Cb -0.09 -0.22 0.11 0.00 -0.63 0.00 0.00 43.02 42.18 1f4h s PHE 957 CO 0.02 -0.87 0.85 0.54 -0.05 0.00 0.00 175.22 175.71 1f4h s ASN 958 N -3.14 -0.68 -0.19 1.98 2.20 -0.63 -1.47 114.94 113.01 1f4h s ASN 958 Ca 0.32 1.16 -0.04 0.00 -0.94 0.00 0.00 52.86 53.36 1f4h s ASN 958 Cb 0.03 1.24 0.09 0.00 -2.00 0.00 0.00 41.25 40.60 1f4h s ASN 958 CO 0.14 -0.19 0.22 -0.51 -2.94 0.00 0.00 177.10 173.81 1f4h s ILE 959 N 1.03 -0.32 0.00 0.54 2.07 -1.26 0.10 121.20 123.35 1f4h s ILE 959 Ca -0.05 -0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1f4h s ILE 959 Cb -0.05 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 41.92 1f4h s ILE 959 CO -0.12 -0.15 0.00 -1.54 -1.91 0.00 0.00 174.94 171.22 1f4h n SER 960 N 5.32 0.00 -1.47 4.50 3.41 -1.08 -4.67 113.62 119.64 1f4h n SER 960 Ca -0.05 -0.61 -0.05 0.00 -0.26 0.00 0.00 58.87 57.90 1f4h n SER 960 Cb 0.50 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.68 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 2.55 -3.86 4.33 5.12 -1.26 -1.93 116.66 121.60 1f4h n ARG 961 Ca 0.00 -3.06 -0.18 0.00 -1.93 0.00 0.00 57.85 52.67 1f4h n ARG 961 Cb 0.00 -1.97 -0.17 0.00 -1.16 0.00 0.00 32.46 29.16 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 -3.11 0.31 0.98 -1.55 1.51 -1.26 -1.45 117.35 112.78 1f4h s TYR 962 Ca 0.49 0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 56.45 1f4h s TYR 962 Cb 0.41 -0.47 0.18 0.00 -0.11 0.00 0.00 41.96 41.97 1f4h s TYR 962 CO 0.07 -0.16 1.09 -1.54 -1.11 0.00 0.00 175.55 173.89 1f4h s SER 963 N 1.33 2.57 0.13 2.29 1.04 -1.26 -4.87 113.70 114.93 1f4h s SER 963 Ca -0.05 1.73 -0.14 0.00 0.48 0.00 0.00 55.95 57.97 1f4h s SER 963 Cb -0.13 -2.35 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 1f4h s SER 963 CO -0.02 -3.25 1.57 1.56 0.98 0.00 0.00 173.24 174.08 1f4h h GLN 964 N -1.97 0.77 -0.59 4.02 1.08 -2.00 -2.62 115.11 113.80 1f4h h GLN 964 Ca -0.51 -0.26 0.12 0.00 -1.45 0.00 0.00 58.65 56.55 1f4h h GLN 964 Cb 1.29 -0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 28.57 1f4h h GLN 964 CO 0.49 0.86 0.05 1.96 -0.95 0.00 0.00 178.83 181.24 1f4h h GLN 965 N 0.61 0.16 -0.31 1.46 4.20 -1.97 0.95 115.11 120.20 1f4h h GLN 965 Ca 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1f4h h GLN 965 Cb 0.53 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1f4h h GLN 965 CO 0.03 0.11 0.21 0.37 -0.67 0.00 0.00 178.83 178.87 1f4h h GLN 966 N 0.17 0.41 -0.21 1.46 4.15 -1.84 0.11 115.11 119.37 1f4h h GLN 966 Ca 0.31 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.57 1f4h h GLN 966 Cb 0.48 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1f4h h GLN 966 CO -0.46 0.27 -0.39 -0.07 -1.93 0.00 0.00 178.83 176.25 1f4h h LEU 967 N 0.43 0.71 -0.65 -2.39 3.38 0.84 -2.62 115.31 115.00 1f4h h LEU 967 Ca 0.12 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 1f4h h LEU 967 Cb -0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1f4h h LEU 967 CO -0.02 1.12 -0.23 -0.03 0.09 0.00 0.00 178.44 179.37 1f4h h MET 968 N 0.32 0.81 -0.01 1.13 4.05 0.11 -3.12 114.93 118.23 1f4h h MET 968 Ca 0.01 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1f4h h MET 968 Cb 0.99 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1f4h h MET 968 CO 0.09 0.96 -0.14 0.39 0.23 0.00 0.00 176.91 178.44 1f4h n GLU 969 N -4.11 1.04 -4.01 0.39 1.02 0.34 -4.88 120.64 110.43 1f4h n GLU 969 Ca 0.00 -0.54 -0.35 0.00 -0.02 0.00 0.00 57.16 56.25 1f4h n GLU 969 Cb 0.44 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.33 3.91 -0.14 2.62 2.01 -0.99 -4.96 115.64 115.77 1f4h s THR 970 Ca 0.30 -0.32 0.22 0.00 0.31 0.00 0.00 61.69 62.20 1f4h s THR 970 Cb 0.20 -2.78 0.24 0.00 0.01 0.00 0.00 72.50 70.17 1f4h s THR 970 CO 0.45 0.42 1.66 0.77 -0.69 0.00 0.00 174.62 177.23 1f4h h SER 971 N 7.68 0.00 -4.97 3.53 4.64 -1.89 -3.37 113.55 119.16 1f4h h SER 971 Ca -0.37 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.77 1f4h h SER 971 Cb 1.18 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.06 1f4h h SER 971 CO 0.60 0.21 -0.70 -1.00 -0.87 0.00 0.00 176.83 175.07 1f4h s HIS 972 N -3.30 0.34 0.25 4.77 3.76 -1.26 -4.35 115.29 115.48 1f4h s HIS 972 Ca 0.04 -0.58 -0.05 0.00 -0.15 0.00 0.00 55.06 54.32 1f4h s HIS 972 Cb 0.08 -0.23 0.28 0.00 1.11 0.00 0.00 32.58 33.81 1f4h s HIS 972 CO 0.67 -0.19 1.82 0.07 -0.85 0.00 0.00 174.74 176.26 1f4h h ARG 973 N 4.48 1.07 -0.81 1.40 0.11 -1.57 -1.38 114.38 117.68 1f4h h ARG 973 Ca -0.33 -0.18 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1f4h h ARG 973 Cb 1.20 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1f4h h ARG 973 CO 0.43 0.86 0.00 -2.39 0.10 0.00 0.00 179.97 178.98 1f4h n HIS 974 N -4.30 0.00 -0.33 4.08 1.44 -1.26 -2.75 115.22 112.10 1f4h n HIS 974 Ca 0.07 -0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 1f4h n HIS 974 Cb 0.17 -0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.19 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 0.15 0.57 -4.88 2.39 4.77 -0.52 -5.04 117.00 114.44 1f4h n LEU 975 Ca 0.00 -0.60 -0.30 0.00 -0.03 0.00 0.00 56.01 55.08 1f4h n LEU 975 Cb 0.21 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1f4h n LEU 975 CO 0.00 0.14 0.64 -0.76 -1.33 0.00 0.00 177.39 176.08 1f4h s LEU 976 N -0.12 3.34 0.02 2.23 1.43 -1.11 -5.03 118.68 119.44 1f4h s LEU 976 Ca 0.00 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1f4h s LEU 976 Cb 0.00 -4.29 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 1f4h s LEU 976 CO 0.00 -0.79 -0.03 -1.00 0.23 0.00 0.00 176.35 174.76 1f4h s HIS 977 N -3.05 0.26 0.56 0.29 3.76 -1.26 -5.10 115.29 110.75 1f4h s HIS 977 Ca 0.53 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.82 1f4h s HIS 977 Cb -0.11 -0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.36 1f4h s HIS 977 CO 0.51 -0.13 1.35 0.00 -0.85 0.00 0.00 174.74 175.62 1f4h s ALA 978 N -1.11 2.76 0.34 -1.40 0.00 -1.26 -4.84 121.76 116.25 1f4h s ALA 978 Ca -0.11 1.31 0.07 0.00 0.00 0.00 0.00 51.96 53.23 1f4h s ALA 978 Cb -0.08 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1f4h s ALA 978 CO -0.01 -1.39 0.37 -1.21 0.00 0.00 0.00 175.76 173.53 1f4h s GLU 979 N -2.97 2.87 0.11 0.00 2.02 -0.53 -5.03 118.70 115.18 1f4h s GLU 979 Ca 0.73 -1.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.34 1f4h s GLU 979 Cb -0.40 -2.61 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 1f4h s GLU 979 CO 0.46 0.06 1.00 0.39 0.02 0.00 0.00 175.26 177.19 1f4h n GLU 980 N -1.50 -0.27 0.00 1.61 1.02 -1.26 -4.70 120.64 115.54 1f4h n GLU 980 Ca -0.01 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 1f4h n GLU 980 Cb 0.59 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 -1.18 2.04 2.87 0.62 0.00 -1.26 -4.95 105.19 103.33 1f4h n GLY 981 Ca 0.02 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 3.92 0.95 -0.24 2.61 2.01 0.39 -4.69 115.64 120.59 1f4h s THR 982 Ca 0.00 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 1f4h s THR 982 Cb 0.00 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1f4h s THR 982 CO 0.00 0.20 1.60 0.26 -0.69 0.00 0.00 174.62 175.99 1f4h s TRP 983 N 1.71 2.13 -0.09 4.92 0.52 -0.81 0.43 118.94 127.76 1f4h s TRP 983 Ca 0.02 0.58 0.03 0.00 0.02 0.00 0.00 56.10 56.75 1f4h s TRP 983 Cb -0.14 -4.00 -0.01 0.00 -1.15 0.00 0.00 33.47 28.16 1f4h s TRP 983 CO -0.08 -2.82 -0.19 -1.17 0.02 0.00 0.00 176.95 172.71 1f4h s LEU 984 N 5.29 2.38 -0.21 2.99 2.96 0.52 -2.62 118.68 130.00 1f4h s LEU 984 Ca 0.71 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1f4h s LEU 984 Cb -0.24 -1.49 0.04 0.00 0.50 0.00 0.00 46.19 45.01 1f4h s LEU 984 CO 0.29 0.21 -0.12 0.20 -1.32 0.00 0.00 176.35 175.62 1f4h s ASN 985 N 0.06 3.61 -0.24 3.68 0.01 0.11 -1.72 114.94 120.45 1f4h s ASN 985 Ca -0.08 -0.98 -0.04 0.00 -0.71 0.00 0.00 52.86 51.05 1f4h s ASN 985 Cb -0.15 -1.34 -0.00 0.00 0.41 0.00 0.00 41.25 40.17 1f4h s ASN 985 CO 0.05 -0.14 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.86 1f4h s ILE 986 N 1.32 3.46 -0.17 0.60 1.01 0.18 -1.61 121.20 125.98 1f4h s ILE 986 Ca -0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1f4h s ILE 986 Cb -0.17 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 1f4h s ILE 986 CO -0.08 0.32 -0.03 -1.81 0.00 0.00 0.00 174.94 173.34 1f4h s ASP 987 N 1.47 4.72 0.05 3.58 1.01 1.39 -0.66 116.67 128.22 1f4h s ASP 987 Ca 0.04 -0.18 -0.21 0.00 0.71 0.00 0.00 52.55 52.91 1f4h s ASP 987 Cb -0.15 -1.78 -0.13 0.00 1.01 0.00 0.00 42.92 41.87 1f4h s ASP 987 CO -0.02 0.12 1.42 1.23 0.21 0.00 0.00 175.17 178.13 1f4h h GLY 988 N 7.05 0.33 -3.96 0.21 0.00 -0.58 0.11 103.07 106.23 1f4h h GLY 988 Ca -0.33 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 1f4h h GLY 988 CO 0.62 0.26 -0.50 -1.36 0.00 0.00 0.00 176.54 175.56 1f4h s PHE 989 N -4.65 0.18 -0.15 5.60 0.40 -0.14 -4.53 117.98 114.69 1f4h s PHE 989 Ca -0.14 -0.47 -0.08 0.00 -0.60 0.00 0.00 56.93 55.64 1f4h s PHE 989 Cb 0.05 -0.12 0.06 0.00 0.51 0.00 0.00 43.02 43.52 1f4h s PHE 989 CO 0.73 -0.38 0.36 -1.58 0.70 0.00 0.00 175.22 175.05 1f4h s HIS 990 N -2.66 -0.53 0.58 0.36 2.46 -1.26 0.51 115.29 114.74 1f4h s HIS 990 Ca -0.04 1.15 -0.18 0.00 0.47 0.00 0.00 55.06 56.46 1f4h s HIS 990 Cb -0.01 0.20 -0.04 0.00 -0.13 0.00 0.00 32.58 32.60 1f4h s HIS 990 CO -0.05 -0.32 1.13 0.00 -2.47 0.00 0.00 174.74 173.03 1f4h s MET 991 N 1.43 3.16 1.24 2.88 0.23 0.18 -4.78 119.30 123.64 1f4h s MET 991 Ca -0.09 1.57 -0.14 0.00 -1.03 0.00 0.00 55.69 55.99 1f4h s MET 991 Cb -0.09 -1.98 0.32 0.00 -1.53 0.00 0.00 34.83 31.54 1f4h s MET 991 CO -0.12 -0.99 1.00 0.20 -2.03 0.00 0.00 175.02 173.08 1f4h s GLY 992 N -1.99 1.51 -0.11 3.16 0.00 0.97 -4.77 107.32 106.10 1f4h s GLY 992 Ca 0.71 -0.25 -0.09 0.00 0.00 0.00 0.00 44.72 45.10 1f4h s GLY 992 CO 0.32 0.55 0.43 0.16 0.00 0.00 0.00 173.10 174.55 1f4h h ILE 993 N -2.87 0.71 0.00 0.90 3.07 -1.93 -3.48 117.51 113.90 1f4h h ILE 993 Ca -0.61 -2.37 0.00 0.00 1.55 0.00 0.00 64.86 63.43 1f4h h ILE 993 Cb 1.34 2.56 0.00 0.00 -0.27 0.00 0.00 36.82 40.45 1f4h h ILE 993 CO 0.47 0.87 0.00 0.61 -1.05 0.00 0.00 178.15 179.05 1f4h n GLY 994 N 1.94 -2.94 0.00 0.16 0.00 -1.26 -4.78 105.19 98.31 1f4h n GLY 994 Ca -0.30 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.33 0.35 0.48 -0.02 0.00 -1.16 -1.80 105.19 102.70 1f4h n GLY 995 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.31 1f4h n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1f4h h ASP 996 N 0.00 0.00 -3.85 1.61 3.32 -1.79 -2.09 116.42 113.62 1f4h h ASP 996 Ca 0.00 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.18 1f4h h ASP 996 Cb 0.00 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.31 1f4h h ASP 996 CO 0.00 0.00 0.66 1.51 -1.72 0.00 0.00 179.24 179.69 1f4h s ASP 997 N -4.91 -0.27 -0.40 6.45 3.84 -1.26 -4.12 116.67 116.00 1f4h s ASP 997 Ca -0.04 0.29 0.05 0.00 -0.00 0.00 0.00 52.55 52.85 1f4h s ASP 997 Cb 0.19 0.23 0.50 0.00 -1.38 0.00 0.00 42.92 42.45 1f4h s ASP 997 CO 0.66 -0.26 1.57 -1.20 -0.00 0.00 0.00 175.17 175.94 1f4h n SER 998 N 0.64 4.45 0.00 2.11 7.64 -1.26 -4.29 113.62 122.91 1f4h n SER 998 Ca -0.07 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.04 1f4h n SER 998 Cb 0.58 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.97 0.00 -3.71 1.43 2.14 -1.26 -4.12 117.44 110.94 1f4h n TRP 999 Ca 0.46 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.91 1f4h n TRP 999 Cb 0.99 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.42 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 -0.30 -0.19 -0.23 -0.67 1.04 -1.26 -4.51 113.70 107.57 1f4h s SER 1000Ca 0.00 -0.11 -0.40 0.00 0.48 0.00 0.00 55.95 55.92 1f4h s SER 1000Cb 0.00 0.39 -0.16 0.00 0.10 0.00 0.00 66.02 66.35 1f4h s SER 1000CO 0.00 -0.64 1.68 -2.65 0.98 0.00 0.00 173.24 172.61 1f4h n PRO 1001N 0.53 1.12 -0.63 4.02 -0.02 -1.26 -4.67 135.00 134.09 1f4h n PRO 1001Ca -0.18 0.41 0.05 0.00 -2.02 0.00 0.00 63.50 61.76 1f4h n PRO 1001Cb 0.60 -2.08 0.10 0.00 -0.02 0.00 0.00 33.50 32.09 1f4h n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1f4h n SER 1002N 4.91 1.33 -4.52 2.55 3.41 -1.26 -4.97 113.62 115.07 1f4h n SER 1002Ca 0.25 -2.80 -0.37 0.00 -0.26 0.00 0.00 58.87 55.69 1f4h n SER 1002Cb 0.13 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.65 4.79 0.37 -3.33 1.01 -1.26 -3.00 120.40 117.32 1f4h s VAL 1003Ca 0.26 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1f4h s VAL 1003Cb 0.26 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 1f4h s VAL 1003CO -0.05 0.31 1.17 -0.94 0.00 0.00 0.00 175.10 175.59 1f4h s SER 1004N 1.61 6.70 0.47 3.32 1.04 -1.26 -4.89 113.70 120.69 1f4h s SER 1004Ca 0.07 2.36 0.26 0.00 0.48 0.00 0.00 55.95 59.12 1f4h s SER 1004Cb -0.15 -2.62 1.31 0.00 0.10 0.00 0.00 66.02 64.65 1f4h s SER 1004CO 0.07 -0.55 1.81 0.00 0.98 0.00 0.00 173.24 175.55 1f4h h ALA 1005N 2.94 2.61 0.00 5.32 0.00 -1.98 0.48 119.26 128.63 1f4h h ALA 1005Ca -0.48 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1f4h h ALA 1005Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1f4h h ALA 1005CO 0.64 -0.95 -0.19 0.93 0.00 0.00 0.00 179.25 179.67 1f4h h GLU 1006N 0.21 0.00 -0.68 0.00 3.07 -2.05 -2.70 114.58 112.43 1f4h h GLU 1006Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1f4h h GLU 1006Cb 1.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.65 1f4h h GLU 1006CO -0.15 0.19 0.00 1.19 -1.40 0.00 0.00 179.01 178.84 1f4h n PHE 1007N -4.25 0.99 -4.13 4.33 0.99 0.17 -4.88 117.46 110.67 1f4h n PHE 1007Ca -0.02 -0.47 -0.35 0.00 -0.00 0.00 0.00 57.45 56.60 1f4h n PHE 1007Cb 0.25 -0.03 -0.08 0.00 -1.00 0.00 0.00 39.48 38.61 1f4h n PHE 1007CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1f4h s GLN 1008N -1.19 3.37 -1.28 -1.08 -0.21 -1.02 -0.02 119.66 118.22 1f4h s GLN 1008Ca 0.46 -0.31 -0.16 0.00 0.02 0.00 0.00 55.36 55.37 1f4h s GLN 1008Cb 0.25 -3.02 0.10 0.00 1.00 0.00 0.00 33.01 31.34 1f4h s GLN 1008CO 0.30 0.62 1.68 1.28 -2.12 0.00 0.00 175.29 177.05 1f4h n LEU 1009N 2.43 5.15 -1.13 2.90 4.77 -1.26 -4.73 117.00 125.13 1f4h n LEU 1009Ca -0.19 -4.11 0.12 0.00 -0.03 0.00 0.00 56.01 51.80 1f4h n LEU 1009Cb 0.54 -1.70 0.24 0.00 -2.33 0.00 0.00 43.42 40.17 1f4h n LEU 1009CO 0.31 0.39 0.72 -1.54 -1.33 0.00 0.00 177.39 175.94 1f4h n SER 1010N 7.37 3.35 0.08 -1.43 3.41 -1.26 -4.56 113.62 120.58 1f4h n SER 1010Ca 0.45 -1.97 0.03 0.00 -0.26 0.00 0.00 58.87 57.12 1f4h n SER 1010Cb 0.44 -0.27 0.39 0.00 -0.26 0.00 0.00 64.21 64.52 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 4.44 1.55 0.00 7.33 0.00 -1.98 -3.47 119.26 127.14 1f4h h ALA 1011Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1f4h h ALA 1011Cb 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1f4h h ALA 1011CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1f4h n GLY 1012N -1.04 2.05 3.71 0.00 0.00 -1.26 -4.90 105.19 103.75 1f4h n GLY 1012Ca 0.00 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 4.37 -0.01 1.61 3.00 -1.26 -0.03 118.95 126.62 1f4h s ARG 1013Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 55.73 56.38 1f4h s ARG 1013Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 34.95 31.50 1f4h s ARG 1013CO 0.00 0.07 0.00 0.71 0.00 0.00 0.00 175.30 176.08 1f4h s TYR 1014N 0.86 0.06 -0.00 -0.53 1.51 -0.74 -5.03 117.35 113.48 1f4h s TYR 1014Ca 0.31 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.42 1f4h s TYR 1014Cb -0.16 -0.10 -0.01 0.00 -0.11 0.00 0.00 41.96 41.58 1f4h s TYR 1014CO 0.14 -0.03 -0.08 -1.58 -1.11 0.00 0.00 175.55 172.89 1f4h s HIS 1015N 0.31 0.70 0.00 2.71 2.46 -1.26 -1.02 115.29 119.19 1f4h s HIS 1015Ca -0.03 -0.16 -0.23 0.00 0.47 0.00 0.00 55.06 55.11 1f4h s HIS 1015Cb -0.04 -0.45 0.05 0.00 -0.13 0.00 0.00 32.58 32.02 1f4h s HIS 1015CO -0.01 -0.01 0.53 1.52 -2.47 0.00 0.00 174.74 174.29 1f4h s TYR 1016N -0.29 -0.44 -0.03 3.88 -0.85 -0.12 -5.00 117.35 114.49 1f4h s TYR 1016Ca 0.02 0.63 -0.07 0.00 -0.52 0.00 0.00 57.07 57.13 1f4h s TYR 1016Cb -0.04 0.31 0.01 0.00 0.38 0.00 0.00 41.96 42.62 1f4h s TYR 1016CO -0.00 -0.58 0.17 1.14 -1.52 0.00 0.00 175.55 174.75 1f4h s GLN 1017N -1.82 0.36 0.11 -3.49 -2.07 -1.26 0.22 119.66 111.70 1f4h s GLN 1017Ca -0.09 -0.07 0.06 0.00 -1.82 0.00 0.00 55.36 53.45 1f4h s GLN 1017Cb -0.01 0.16 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 1f4h s GLN 1017CO 0.03 -0.07 -0.16 -0.51 -1.32 0.00 0.00 175.29 173.26 1f4h s LEU 1018N -0.65 2.35 -0.21 2.60 1.43 1.20 -4.53 118.68 120.88 1f4h s LEU 1018Ca -0.07 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1f4h s LEU 1018Cb -0.04 -0.63 0.05 0.00 0.03 0.00 0.00 46.19 45.59 1f4h s LEU 1018CO 0.01 -0.07 -0.06 -0.69 0.23 0.00 0.00 176.35 175.77 1f4h s VAL 1019N -1.67 1.39 -0.21 -1.59 1.01 -0.62 0.29 120.40 119.00 1f4h s VAL 1019Ca 0.06 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1f4h s VAL 1019Cb -0.08 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1f4h s VAL 1019CO 0.03 0.02 0.05 0.86 0.00 0.00 0.00 175.10 176.06 1f4h s TRP 1020N 1.49 3.12 0.33 5.22 -0.11 0.35 -1.36 118.94 127.98 1f4h s TRP 1020Ca -0.03 -0.24 -0.10 0.00 1.22 0.00 0.00 56.10 56.95 1f4h s TRP 1020Cb -0.17 -2.14 0.02 0.00 -1.50 0.00 0.00 33.47 29.68 1f4h s TRP 1020CO -0.07 -0.14 0.59 0.00 -4.62 0.00 0.00 176.95 172.71 1f4h n GLN 1022N -0.50 1.39 0.00 0.00 3.00 -1.26 -1.05 117.38 118.96 1f4h n GLN 1022Ca -0.03 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 55.81 1f4h n GLN 1022Cb 0.61 0.21 0.00 0.00 0.00 0.00 0.00 30.24 31.06 1f4h n GLN 1022CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69