#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4k n ASN 5 N 0.00 -5.03 0.01 6.41 3.02 -1.26 -4.81 115.26 113.60 3f4k n ASN 5 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 3f4k n ASN 5 Cb 0.00 -2.63 0.19 0.00 -0.61 0.00 0.00 39.78 36.73 3f4k n ASN 5 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3f4k n THR 6 N -2.28 0.07 -4.30 3.41 -2.24 -1.26 -4.83 114.28 102.86 3f4k n THR 6 Ca 0.00 -0.07 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 3f4k n THR 6 Cb 0.35 0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 3f4k n THR 6 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3f4k s SER 7 N -3.28 4.65 0.51 3.42 1.04 -1.26 -5.01 113.70 113.78 3f4k s SER 7 Ca 0.09 -0.23 0.29 0.00 0.48 0.00 0.00 55.95 56.58 3f4k s SER 7 Cb 0.16 -1.03 1.34 0.00 0.10 0.00 0.00 66.02 66.60 3f4k s SER 7 CO 0.73 0.22 2.00 0.40 0.98 0.00 0.00 173.24 177.57 3f4k h ILE 8 N 3.36 0.42 0.00 -1.02 2.04 -1.92 -2.27 117.51 118.13 3f4k h ILE 8 Ca -0.48 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 64.69 3f4k h ILE 8 Cb 1.17 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3f4k h ILE 8 CO 0.55 0.12 0.00 1.41 0.00 0.00 0.00 178.15 180.23 3f4k n HIS 9 N -3.42 0.00 0.09 1.37 8.25 -1.26 -3.27 115.22 116.98 3f4k n HIS 9 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 3f4k n HIS 9 Cb 0.30 -0.35 0.22 0.00 1.12 0.00 0.00 29.99 31.27 3f4k n HIS 9 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3f4k n ASP 10 N -1.35 3.36 -4.07 0.41 10.43 -0.85 -4.91 116.55 119.56 3f4k n ASP 10 Ca 0.07 -2.41 -0.21 0.00 2.57 0.00 0.00 54.79 54.80 3f4k n ASP 10 Cb 0.15 -0.54 -0.15 0.00 1.84 0.00 0.00 41.12 42.42 3f4k n ASP 10 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3f4k s PHE 11 N -1.88 1.13 0.62 1.24 0.08 -1.20 -4.88 117.98 113.08 3f4k s PHE 11 Ca 0.30 -0.23 -0.18 0.00 0.12 0.00 0.00 56.93 56.94 3f4k s PHE 11 Cb 0.21 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.87 3f4k s PHE 11 CO 0.11 -0.04 0.80 -0.25 -0.10 0.00 0.00 175.22 175.74 3f4k n ASP 12 N 2.88 0.06 0.07 1.36 8.00 -1.26 -4.84 116.55 122.83 3f4k n ASP 12 Ca -0.15 0.75 -0.10 0.00 0.71 0.00 0.00 54.79 56.00 3f4k n ASP 12 Cb 0.55 -1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.33 3f4k n ASP 12 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3f4k h PHE 13 N 0.26 0.46 0.00 1.24 0.04 -1.99 -2.21 116.94 114.73 3f4k h PHE 13 Ca -0.47 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.06 3f4k h PHE 13 Cb 1.37 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.47 3f4k h PHE 13 CO 0.35 1.04 0.00 -1.13 -0.60 0.00 0.00 178.31 177.97 3f4k n SER 14 N -3.73 0.24 -0.10 2.17 3.41 -1.26 -2.26 113.62 112.09 3f4k n SER 14 Ca -0.05 0.56 -0.21 0.00 -0.26 0.00 0.00 58.87 58.91 3f4k n SER 14 Cb 0.79 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 64.03 3f4k n SER 14 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3f4k n PHE 15 N -1.76 0.94 0.26 7.33 -0.00 -1.05 -3.01 117.46 120.17 3f4k n PHE 15 Ca 0.03 0.40 0.09 0.00 -0.00 0.00 0.00 57.45 57.97 3f4k n PHE 15 Cb 0.19 -1.06 0.66 0.00 -0.00 0.00 0.00 39.48 39.28 3f4k n PHE 15 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3f4k h ILE 16 N -1.00 0.95 0.00 -2.13 2.04 -1.34 -1.86 117.51 114.17 3f4k h ILE 16 Ca -0.34 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3f4k h ILE 16 Cb 1.25 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3f4k h ILE 16 CO -0.21 0.01 -0.70 0.00 0.00 0.00 0.00 178.15 177.26 3f4k h ASN 18 N 0.00 0.00 0.00 0.00 -1.24 -1.24 -2.08 115.58 111.02 3f4k h ASN 18 Ca -0.02 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.68 3f4k h ASN 18 Cb 1.12 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.13 3f4k h ASN 18 CO 0.01 0.00 -1.72 0.00 -1.29 0.00 0.00 177.43 174.44 3f4k n TYR 19 N -2.47 0.63 0.32 0.67 9.36 -1.20 -4.42 117.16 120.04 3f4k n TYR 19 Ca 0.02 0.27 0.15 0.00 3.32 0.00 0.00 57.90 61.66 3f4k n TYR 19 Cb 0.26 -1.05 0.65 0.00 -0.63 0.00 0.00 39.34 38.57 3f4k n TYR 19 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3f4k h PHE 20 N -1.00 0.00 0.00 2.98 0.04 -1.49 -2.05 116.94 115.42 3f4k h PHE 20 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3f4k h PHE 20 Cb 1.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.55 3f4k h PHE 20 CO 0.01 0.00 0.00 0.36 -0.60 0.00 0.00 178.31 178.08 3f4k n LYS 21 N -2.66 0.00 0.00 1.51 2.85 -0.79 -1.08 118.16 117.99 3f4k n LYS 21 Ca 0.01 0.25 0.13 0.00 -1.05 0.00 0.00 58.31 57.64 3f4k n LYS 21 Cb 0.22 -1.51 0.35 0.00 -0.65 0.00 0.00 35.03 33.45 3f4k n LYS 21 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3f4k n LEU 22 N -1.52 0.63 -4.58 -5.58 4.77 -0.77 -4.92 117.00 105.04 3f4k n LEU 22 Ca 0.04 -0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 3f4k n LEU 22 Cb 0.18 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 3f4k n LEU 22 CO 0.14 0.13 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.19 3f4k s LEU 23 N -2.79 2.96 0.06 2.23 1.43 -0.25 -4.96 118.68 117.36 3f4k s LEU 23 Ca 0.17 -0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 52.44 3f4k s LEU 23 Cb 0.18 -1.49 -0.29 0.00 0.03 0.00 0.00 46.19 44.62 3f4k s LEU 23 CO 0.61 0.02 1.08 0.11 0.23 0.00 0.00 176.35 178.40 3f4k h LYS 24 N 2.11 0.31 -5.72 1.70 1.57 -1.91 -3.45 116.57 111.17 3f4k h LYS 24 Ca -0.43 -0.52 -0.60 0.00 -1.87 0.00 0.00 60.65 57.22 3f4k h LYS 24 Cb 1.25 0.20 -0.31 0.00 0.08 0.00 0.00 32.23 33.45 3f4k h LYS 24 CO 0.60 1.24 -0.85 1.03 -0.57 0.00 0.00 179.45 180.89 3f4k s ARG 25 N -2.64 1.89 -0.04 3.15 0.52 -1.26 -2.58 118.95 117.99 3f4k s ARG 25 Ca -0.05 -0.72 0.21 0.00 -0.52 0.00 0.00 55.73 54.65 3f4k s ARG 25 Cb 0.07 -1.70 0.69 0.00 0.52 0.00 0.00 34.95 34.52 3f4k s ARG 25 CO 0.89 0.35 1.58 1.04 0.02 0.00 0.00 175.30 179.18 3f4k n GLN 26 N 2.88 3.11 -3.60 3.54 3.00 -1.26 -4.96 117.38 120.09 3f4k n GLN 26 Ca -0.17 -2.77 -0.05 0.00 -0.01 0.00 0.00 57.00 54.00 3f4k n GLN 26 Cb 0.53 -1.70 -0.02 0.00 0.00 0.00 0.00 30.24 29.05 3f4k n GLN 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3f4k s GLY 27 N -0.96 -0.37 0.68 1.08 0.00 -1.26 -4.64 107.32 101.85 3f4k s GLY 27 Ca 0.51 0.76 -0.17 0.00 0.00 0.00 0.00 44.72 45.82 3f4k s GLY 27 CO 0.31 0.23 0.64 -1.05 0.00 0.00 0.00 173.10 173.23 3f4k n PRO 28 N -0.32 0.43 0.00 2.90 -0.02 -1.26 -4.84 135.00 131.88 3f4k n PRO 28 Ca -0.07 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3f4k n PRO 28 Cb 0.61 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3f4k n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f4k n GLY 29 N 1.55 -0.63 3.61 -1.23 0.00 -0.91 -4.90 105.19 102.68 3f4k n GLY 29 Ca 0.11 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 3f4k n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f4k s SER 30 N 0.00 -0.13 0.24 1.61 1.04 -1.26 -4.32 113.70 110.88 3f4k s SER 30 Ca 0.00 -0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 3f4k s SER 30 Cb 0.00 0.19 0.24 0.00 0.10 0.00 0.00 66.02 66.55 3f4k s SER 30 CO 0.00 -0.32 1.81 -0.65 0.98 0.00 0.00 173.24 175.06 3f4k h PRO 31 N 2.00 1.13 -0.49 4.02 0.11 -1.99 -1.49 132.00 135.29 3f4k h PRO 31 Ca -0.18 -0.19 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 3f4k h PRO 31 Cb 1.19 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3f4k h PRO 31 CO 0.25 0.90 0.11 0.93 -0.21 0.00 0.00 178.00 179.98 3f4k h GLU 32 N 1.10 0.79 -0.62 1.05 3.07 -1.98 0.49 114.58 118.48 3f4k h GLU 32 Ca 0.26 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.84 3f4k h GLU 32 Cb 0.18 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3f4k h GLU 32 CO -0.02 0.77 0.06 0.00 -1.40 0.00 0.00 179.01 178.42 3f4k h ALA 33 N 0.98 0.92 -0.06 3.43 0.00 -1.89 0.18 119.26 122.83 3f4k h ALA 33 Ca 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3f4k h ALA 33 Cb 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3f4k h ALA 33 CO 0.00 0.66 -0.02 1.15 0.00 0.00 0.00 179.25 181.04 3f4k h THR 34 N 0.97 1.31 -0.83 0.00 2.02 -1.14 -1.62 112.91 113.63 3f4k h THR 34 Ca 0.19 -0.97 0.08 0.00 0.77 0.00 0.00 66.41 66.48 3f4k h THR 34 Cb 0.48 1.84 -0.07 0.00 -1.74 0.00 0.00 68.15 68.66 3f4k h THR 34 CO 0.02 0.26 0.48 -0.09 0.37 0.00 0.00 175.52 176.57 3f4k h ARG 35 N -0.25 0.81 -0.50 6.66 2.43 -0.76 -1.58 114.38 121.19 3f4k h ARG 35 Ca 0.01 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3f4k h ARG 35 Cb 0.43 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3f4k h ARG 35 CO 0.01 0.54 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.77 3f4k h LYS 36 N 0.84 0.86 -0.49 0.20 3.64 -0.50 -2.43 116.57 118.69 3f4k h LYS 36 Ca 0.39 -0.25 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 3f4k h LYS 36 Cb 0.30 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3f4k h LYS 36 CO -0.22 0.87 -0.12 0.00 -2.27 0.00 0.00 179.45 177.71 3f4k h ALA 37 N 1.18 0.87 0.00 5.00 0.00 -0.51 -2.74 119.26 123.05 3f4k h ALA 37 Ca 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3f4k h ALA 37 Cb 0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3f4k h ALA 37 CO 0.03 0.64 -0.16 0.28 0.00 0.00 0.00 179.25 180.04 3f4k h VAL 38 N 0.81 1.01 0.00 0.00 2.07 -1.08 -2.41 116.25 116.65 3f4k h VAL 38 Ca 0.13 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3f4k h VAL 38 Cb 0.65 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3f4k h VAL 38 CO 0.05 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 176.25 3f4k n SER 39 N -4.21 0.37 -0.17 0.57 3.41 -0.94 -2.13 113.62 110.54 3f4k n SER 39 Ca -0.02 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 3f4k n SER 39 Cb 0.23 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 63.47 3f4k n SER 39 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3f4k n PHE 40 N -1.97 0.00 -3.26 7.33 3.72 -0.91 -4.98 117.46 117.39 3f4k n PHE 40 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 3f4k n PHE 40 Cb 0.08 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 3f4k n PHE 40 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3f4k s ILE 41 N -2.81 2.31 0.36 4.37 -4.36 -0.90 -5.03 121.20 115.14 3f4k s ILE 41 Ca 0.13 -1.14 -0.19 0.00 -0.26 0.00 0.00 60.65 59.18 3f4k s ILE 41 Cb 0.17 -2.45 -0.10 0.00 1.25 0.00 0.00 42.46 41.33 3f4k s ILE 41 CO 0.74 0.00 0.85 0.20 0.24 0.00 0.00 174.94 176.97 3f4k s ASN 42 N -4.45 6.93 0.39 4.36 0.01 -1.26 -5.01 114.94 115.91 3f4k s ASN 42 Ca 0.53 1.54 -0.27 0.00 -0.71 0.00 0.00 52.86 53.95 3f4k s ASN 42 Cb -0.06 -2.47 -0.10 0.00 0.41 0.00 0.00 41.25 39.03 3f4k s ASN 42 CO 0.33 -0.24 1.37 -0.70 -1.51 0.00 0.00 177.10 176.34 3f4k s GLU 43 N -2.89 4.06 0.29 -0.60 2.12 -1.26 -5.02 118.70 115.41 3f4k s GLU 43 Ca 0.56 2.32 0.08 0.00 0.36 0.00 0.00 54.97 58.29 3f4k s GLU 43 Cb -0.11 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 3f4k s GLU 43 CO 0.16 -0.47 0.15 -0.51 -0.54 0.00 0.00 175.26 174.05 3f4k s LEU 44 N -2.22 3.47 0.00 2.70 1.43 -1.26 -5.11 118.68 117.69 3f4k s LEU 44 Ca 0.54 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3f4k s LEU 44 Cb -0.41 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 43.86 3f4k s LEU 44 CO 0.55 -0.15 0.43 0.35 0.23 0.00 0.00 176.35 177.76 3f4k n THR 45 N -1.13 0.00 0.34 5.49 -2.24 -1.26 -4.45 114.28 111.02 3f4k n THR 45 Ca -0.05 -1.87 0.14 0.00 -2.27 0.00 0.00 64.05 60.00 3f4k n THR 45 Cb 0.59 -0.19 0.60 0.00 -2.10 0.00 0.00 70.33 69.24 3f4k n THR 45 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3f4k h ASP 46 N 0.47 0.00 -0.38 3.42 3.32 -1.95 -2.57 116.42 118.74 3f4k h ASP 46 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3f4k h ASP 46 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3f4k h ASP 46 CO 0.45 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.44 3f4k n ASP 47 N -2.61 2.34 -4.80 6.45 8.00 -1.26 -3.89 116.55 120.77 3f4k n ASP 47 Ca 0.01 -1.93 -0.33 0.00 0.71 0.00 0.00 54.79 53.26 3f4k n ASP 47 Cb 0.25 -0.25 0.01 0.00 -0.02 0.00 0.00 41.12 41.10 3f4k n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f4k s ALA 48 N -1.50 2.76 -0.18 2.24 0.00 -1.00 -4.86 121.76 119.21 3f4k s ALA 48 Ca 0.32 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3f4k s ALA 48 Cb 0.17 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 20.08 3f4k s ALA 48 CO 0.23 -0.77 -0.17 0.15 0.00 0.00 0.00 175.76 175.20 3f4k s LYS 49 N -4.06 3.06 0.02 0.00 1.02 -1.26 -0.82 119.74 117.70 3f4k s LYS 49 Ca 0.63 -0.80 0.08 0.00 0.02 0.00 0.00 55.97 55.91 3f4k s LYS 49 Cb -0.16 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 3f4k s LYS 49 CO 0.36 -0.19 -0.23 0.42 -0.92 0.00 0.00 175.35 174.79 3f4k s ILE 50 N 1.28 1.85 -0.06 2.17 1.09 0.40 -0.86 121.20 127.08 3f4k s ILE 50 Ca 0.04 -1.18 0.03 0.00 -1.10 0.00 0.00 60.65 58.45 3f4k s ILE 50 Cb -0.13 -1.58 0.00 0.00 -1.06 0.00 0.00 42.46 39.69 3f4k s ILE 50 CO -0.11 0.36 -0.15 0.00 -0.10 0.00 0.00 174.94 174.94 3f4k s ALA 51 N -0.71 1.43 -0.38 9.38 0.00 -0.68 -0.72 121.76 130.09 3f4k s ALA 51 Ca 0.09 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 3f4k s ALA 51 Cb -0.09 -0.54 0.10 0.00 0.00 0.00 0.00 23.12 22.58 3f4k s ALA 51 CO 0.01 0.20 0.14 0.34 0.00 0.00 0.00 175.76 176.46 3f4k s ASP 52 N 0.32 5.14 -0.07 0.00 2.15 -0.65 0.12 116.67 123.67 3f4k s ASP 52 Ca -0.09 -1.87 -0.29 0.00 0.43 0.00 0.00 52.55 50.73 3f4k s ASP 52 Cb -0.14 -1.79 -0.02 0.00 -0.30 0.00 0.00 42.92 40.68 3f4k s ASP 52 CO 0.03 -0.46 0.95 -0.63 -0.17 0.00 0.00 175.17 174.89 3f4k s ILE 53 N 1.15 4.85 -0.57 4.11 -1.09 -0.15 -1.03 121.20 128.47 3f4k s ILE 53 Ca 0.06 1.95 -0.01 0.00 -2.23 0.00 0.00 60.65 60.42 3f4k s ILE 53 Cb -0.22 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 3f4k s ILE 53 CO -0.04 0.08 0.48 0.61 -1.23 0.00 0.00 174.94 174.84 3f4k n GLY 54 N 3.07 0.13 0.25 6.18 0.00 0.27 -4.56 105.19 110.52 3f4k n GLY 54 Ca 0.06 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3f4k n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4k n GLY 56 N -0.20 2.90 0.01 0.00 0.00 -1.26 -1.71 105.19 104.93 3f4k n GLY 56 Ca -0.01 -0.29 0.16 0.00 0.00 0.00 0.00 46.02 45.87 3f4k n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f4k n THR 57 N 0.00 0.00 -0.61 2.61 -2.24 -1.26 -4.27 114.28 108.51 3f4k n THR 57 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3f4k n THR 57 Cb 0.00 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 3f4k n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f4k n GLY 58 N 1.11 0.74 0.30 3.38 0.00 -0.69 -3.66 105.19 106.37 3f4k n GLY 58 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 3f4k n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3f4k h GLY 59 N 0.00 0.04 2.00 -0.02 0.00 -1.73 -0.86 103.07 102.51 3f4k h GLY 59 Ca 0.00 0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.57 3f4k h GLY 59 CO 0.00 -0.22 -0.47 0.06 0.00 0.00 0.00 176.54 175.91 3f4k h GLN 60 N -0.14 0.00 -0.33 4.80 -0.00 -1.88 -3.11 115.11 114.45 3f4k h GLN 60 Ca 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.83 3f4k h GLN 60 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.97 3f4k h GLN 60 CO -0.61 0.47 -0.03 1.15 -0.00 0.00 0.00 178.83 179.82 3f4k h THR 61 N 0.00 1.20 0.00 1.86 2.02 -1.52 -1.76 112.91 114.72 3f4k h THR 61 Ca -0.00 -0.84 -0.13 0.00 0.77 0.00 0.00 66.41 66.21 3f4k h THR 61 Cb 0.97 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3f4k h THR 61 CO 0.06 0.28 -0.63 -0.07 0.37 0.00 0.00 175.52 175.53 3f4k h LEU 62 N 0.50 0.00 -0.32 2.58 3.38 -1.29 -1.81 115.31 118.35 3f4k h LEU 62 Ca 0.10 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 3f4k h LEU 62 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3f4k h LEU 62 CO 0.01 0.63 -0.85 -0.26 0.09 0.00 0.00 178.44 178.07 3f4k h PHE 63 N 0.00 0.28 -0.38 1.13 0.04 -1.51 -2.91 116.94 113.59 3f4k h PHE 63 Ca -0.01 -0.15 -0.08 0.00 2.80 0.00 0.00 57.97 60.53 3f4k h PHE 63 Cb 1.27 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.37 3f4k h PHE 63 CO 0.00 0.95 -0.09 1.25 -0.60 0.00 0.00 178.31 179.82 3f4k h LEU 64 N 0.11 0.64 -1.39 1.54 5.85 -1.10 -2.07 115.31 118.88 3f4k h LEU 64 Ca -0.04 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3f4k h LEU 64 Cb 1.47 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3f4k h LEU 64 CO 0.13 0.77 0.00 0.00 -0.34 0.00 0.00 178.44 179.00 3f4k h ALA 65 N 1.30 1.00 0.00 1.25 0.00 -1.16 -2.07 119.26 119.57 3f4k h ALA 65 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3f4k h ALA 65 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3f4k h ALA 65 CO 0.03 0.00 -0.62 -0.44 0.00 0.00 0.00 179.25 178.22 3f4k h ASP 66 N 0.00 0.00 0.00 0.00 3.32 -1.19 -3.34 116.42 115.21 3f4k h ASP 66 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3f4k h ASP 66 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3f4k h ASP 66 CO 0.00 0.55 -1.10 -1.22 -1.72 0.00 0.00 179.24 175.75 3f4k n TYR 67 N -3.21 0.00 -4.01 4.55 4.01 -0.98 -4.99 117.16 112.52 3f4k n TYR 67 Ca 0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.66 3f4k n TYR 67 Cb 0.76 -0.08 -0.11 0.00 -0.31 0.00 0.00 39.34 39.61 3f4k n TYR 67 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3f4k s VAL 68 N -2.95 0.15 0.51 -0.72 -7.23 -0.82 -5.03 120.40 104.31 3f4k s VAL 68 Ca 0.05 -1.16 -0.00 0.00 -1.81 0.00 0.00 61.98 59.05 3f4k s VAL 68 Cb 0.15 -0.61 0.01 0.00 0.56 0.00 0.00 36.38 36.48 3f4k s VAL 68 CO 0.82 -0.63 0.75 -0.54 -0.31 0.00 0.00 175.10 175.18 3f4k s LYS 69 N -2.14 2.85 0.00 4.82 1.02 -1.26 -4.63 119.74 120.40 3f4k s LYS 69 Ca -0.10 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.39 3f4k s LYS 69 Cb -0.05 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 3f4k s LYS 69 CO -0.03 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 3f4k n GLY 70 N -2.26 2.36 3.67 -3.33 0.00 -1.00 -4.60 105.19 100.02 3f4k n GLY 70 Ca 0.04 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 3f4k n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f4k s GLN 71 N -2.16 4.30 -0.21 1.61 -1.52 0.00 -4.88 119.66 116.81 3f4k s GLN 71 Ca 0.00 1.04 -0.04 0.00 -1.95 0.00 0.00 55.36 54.41 3f4k s GLN 71 Cb 0.00 -3.58 -0.01 0.00 -0.22 0.00 0.00 33.01 29.20 3f4k s GLN 71 CO 0.00 -0.34 -0.05 0.42 -0.25 0.00 0.00 175.29 175.07 3f4k s ILE 72 N 2.19 3.40 -0.26 1.08 1.01 0.19 -0.45 121.20 128.35 3f4k s ILE 72 Ca 0.39 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 3f4k s ILE 72 Cb -0.17 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 3f4k s ILE 72 CO 0.12 0.44 0.06 -0.89 0.00 0.00 0.00 174.94 174.67 3f4k s THR 73 N 1.28 4.08 -0.09 2.92 2.01 0.10 -1.47 115.64 124.47 3f4k s THR 73 Ca 0.03 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 61.45 3f4k s THR 73 Cb -0.14 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 3f4k s THR 73 CO -0.02 0.25 0.47 -0.83 -0.69 0.00 0.00 174.62 173.80 3f4k s GLY 74 N 1.56 2.42 -0.09 4.40 0.00 0.19 -1.63 107.32 114.17 3f4k s GLY 74 Ca 0.05 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.63 3f4k s GLY 74 CO 0.02 0.65 -0.23 -0.42 0.00 0.00 0.00 173.10 173.12 3f4k s ILE 75 N 0.24 2.20 0.04 0.90 1.01 -0.19 -0.99 121.20 124.41 3f4k s ILE 75 Ca 0.26 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 3f4k s ILE 75 Cb -0.16 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.48 3f4k s ILE 75 CO 0.11 0.56 0.21 -0.62 0.00 0.00 0.00 174.94 175.20 3f4k s ASP 76 N 0.15 0.02 -0.02 3.58 2.15 -1.01 0.93 116.67 122.47 3f4k s ASP 76 Ca -0.12 -0.37 -0.22 0.00 0.43 0.00 0.00 52.55 52.27 3f4k s ASP 76 Cb -0.16 0.30 -0.25 0.00 -0.30 0.00 0.00 42.92 42.51 3f4k s ASP 76 CO 0.07 -0.58 1.04 -0.07 -0.17 0.00 0.00 175.17 175.46 3f4k h LEU 77 N 3.37 0.41 -9.00 -1.34 3.38 -1.87 0.84 115.31 111.10 3f4k h LEU 77 Ca -0.32 -0.80 -0.57 0.00 0.09 0.00 0.00 57.88 56.28 3f4k h LEU 77 Cb 1.19 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3f4k h LEU 77 CO 0.48 1.17 0.90 0.12 0.09 0.00 0.00 178.44 181.20 3f4k s PHE 78 N -3.04 2.95 0.52 1.13 5.36 -1.26 -4.53 117.98 119.11 3f4k s PHE 78 Ca -0.14 1.07 0.22 0.00 -0.96 0.00 0.00 56.93 57.12 3f4k s PHE 78 Cb 0.02 -3.69 1.45 0.00 -0.34 0.00 0.00 43.02 40.46 3f4k s PHE 78 CO 0.80 -1.26 2.16 -1.00 -1.46 0.00 0.00 175.22 174.46 3f4k h PRO 79 N 8.47 0.00 -0.60 10.12 0.13 -1.99 -2.42 132.00 145.71 3f4k h PRO 79 Ca -0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 3f4k h PRO 79 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 3f4k h PRO 79 CO 1.02 0.04 0.16 -0.44 -0.23 0.00 0.00 178.00 178.55 3f4k h ASP 80 N 0.00 0.86 -0.38 1.44 3.32 -1.99 -0.96 116.42 118.71 3f4k h ASP 80 Ca -0.00 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 3f4k h ASP 80 Cb 0.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3f4k h ASP 80 CO 0.01 0.83 -0.28 -0.26 -1.72 0.00 0.00 179.24 177.82 3f4k h PHE 81 N 0.89 1.01 -0.64 4.55 0.04 -1.74 -2.36 116.94 118.70 3f4k h PHE 81 Ca 0.20 -0.28 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 3f4k h PHE 81 Cb 0.29 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3f4k h PHE 81 CO 0.02 1.07 0.17 0.82 -0.60 0.00 0.00 178.31 179.79 3f4k h ILE 82 N 0.67 1.25 -0.69 -0.55 1.08 -1.41 0.28 117.51 118.14 3f4k h ILE 82 Ca 0.07 -0.90 0.02 0.00 -0.39 0.00 0.00 64.86 63.66 3f4k h ILE 82 Cb 0.85 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 3f4k h ILE 82 CO 0.07 0.34 0.44 -0.08 -0.69 0.00 0.00 178.15 178.24 3f4k h GLU 83 N 0.94 0.84 -0.49 2.37 4.81 -1.09 -0.91 114.58 121.06 3f4k h GLU 83 Ca 0.20 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 3f4k h GLU 83 Cb 0.34 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3f4k h GLU 83 CO -0.00 0.56 -0.20 0.82 -0.73 0.00 0.00 179.01 179.46 3f4k h ILE 84 N 0.87 1.27 -0.17 2.32 1.08 -0.90 -2.61 117.51 119.36 3f4k h ILE 84 Ca 0.27 -1.37 0.04 0.00 -0.39 0.00 0.00 64.86 63.42 3f4k h ILE 84 Cb -0.01 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 3f4k h ILE 84 CO -0.10 0.47 -0.11 0.15 -0.69 0.00 0.00 178.15 177.88 3f4k h PHE 85 N 0.85 -0.26 0.00 1.37 3.57 0.26 -0.54 116.94 122.20 3f4k h PHE 85 Ca 0.11 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3f4k h PHE 85 Cb 0.78 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3f4k h PHE 85 CO 0.05 -0.16 -0.26 -0.91 -2.23 0.00 0.00 178.31 174.80 3f4k h ASN 86 N -0.10 0.00 -0.29 0.41 2.35 -1.18 -1.43 115.58 115.34 3f4k h ASN 86 Ca 0.10 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 3f4k h ASN 86 Cb 0.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3f4k h ASN 86 CO -0.24 0.26 -0.41 -0.33 -1.65 0.00 0.00 177.43 175.07 3f4k h GLU 87 N 0.00 0.80 -0.30 0.81 5.08 -0.92 -2.26 114.58 117.79 3f4k h GLU 87 Ca -0.00 -0.46 -0.12 0.00 -1.00 0.00 0.00 59.36 57.77 3f4k h GLU 87 Cb 0.61 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3f4k h GLU 87 CO 0.03 1.10 -0.31 -0.91 -1.00 0.00 0.00 179.01 177.92 3f4k h ASN 88 N 0.56 0.64 -0.25 1.42 2.35 -0.79 0.89 115.58 120.40 3f4k h ASN 88 Ca 0.03 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.46 3f4k h ASN 88 Cb 1.01 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 3f4k h ASN 88 CO 0.10 0.91 -0.08 0.00 -1.65 0.00 0.00 177.43 176.71 3f4k h ALA 89 N 1.13 1.17 -0.19 -0.83 0.00 -1.25 0.26 119.26 119.55 3f4k h ALA 89 Ca 0.06 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3f4k h ALA 89 Cb 0.79 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3f4k h ALA 89 CO 0.06 0.53 -0.11 0.28 0.00 0.00 0.00 179.25 180.01 3f4k h VAL 90 N 0.59 1.31 0.00 0.00 2.07 -0.98 -0.60 116.25 118.64 3f4k h VAL 90 Ca 0.11 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 3f4k h VAL 90 Cb 0.49 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3f4k h VAL 90 CO 0.03 0.36 -0.13 0.11 0.02 0.00 0.00 177.57 177.96 3f4k h LYS 91 N 0.10 0.00 -0.30 1.57 1.57 -0.35 -1.57 116.57 117.59 3f4k h LYS 91 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3f4k h LYS 91 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3f4k h LYS 91 CO 0.03 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 3f4k n ALA 92 N -2.29 2.46 -3.69 3.86 0.00 0.89 -4.97 120.51 116.77 3f4k n ALA 92 Ca -0.02 -0.79 -0.26 0.00 0.00 0.00 0.00 53.44 52.37 3f4k n ALA 92 Cb 0.25 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.76 3f4k n ALA 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3f4k n ASN 93 N 0.99 -3.52 -0.91 0.00 5.03 -0.54 -4.89 115.26 111.42 3f4k n ASN 93 Ca 0.18 -0.94 -0.03 0.00 0.87 0.00 0.00 54.58 54.66 3f4k n ASN 93 Cb 0.48 -3.67 -0.03 0.00 -1.02 0.00 0.00 39.78 35.55 3f4k n ASN 93 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3f4k n ALA 95 N 0.09 2.30 0.01 0.00 0.00 -1.15 -0.95 120.51 120.81 3f4k n ALA 95 Ca -0.13 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 3f4k n ALA 95 Cb 0.73 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 3f4k n ALA 95 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3f4k h ASP 96 N 0.00 0.03 -0.00 0.00 2.03 -1.91 -3.38 116.42 113.19 3f4k h ASP 96 Ca 0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 3f4k h ASP 96 Cb 0.00 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 3f4k h ASP 96 CO 0.00 1.04 -0.24 -2.11 -1.03 0.00 0.00 179.24 176.90 3f4k n ARG 97 N -3.18 4.84 -3.95 4.15 1.85 -0.98 -4.92 116.66 114.47 3f4k n ARG 97 Ca -0.11 -0.06 -0.31 0.00 -1.00 0.00 0.00 57.85 56.37 3f4k n ARG 97 Cb 1.01 -0.78 -0.15 0.00 -1.05 0.00 0.00 32.46 31.49 3f4k n ARG 97 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3f4k s VAL 98 N -1.44 1.74 0.02 8.89 1.01 -0.13 0.53 120.40 131.04 3f4k s VAL 98 Ca 0.02 -1.66 0.06 0.00 0.00 0.00 0.00 61.98 60.41 3f4k s VAL 98 Cb 0.04 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3f4k s VAL 98 CO 0.21 -0.34 -0.19 -0.54 0.00 0.00 0.00 175.10 174.25 3f4k s LYS 99 N 1.24 1.32 -0.03 2.72 1.02 -0.54 -4.37 119.74 121.09 3f4k s LYS 99 Ca 0.01 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.22 3f4k s LYS 99 Cb -0.19 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 3f4k s LYS 99 CO -0.10 0.36 -0.10 0.20 -0.92 0.00 0.00 175.35 174.79 3f4k s GLY 100 N -0.93 1.65 0.03 -3.33 0.00 -1.26 0.56 107.32 104.04 3f4k s GLY 100 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3f4k s GLY 100 CO 0.01 -0.81 -0.04 -0.26 0.00 0.00 0.00 173.10 172.00 3f4k s ILE 101 N -0.86 0.23 0.51 0.90 -4.36 -0.17 -4.93 121.20 112.52 3f4k s ILE 101 Ca 0.14 -1.13 -0.17 0.00 -0.26 0.00 0.00 60.65 59.23 3f4k s ILE 101 Cb -0.11 -0.59 -0.08 0.00 1.25 0.00 0.00 42.46 42.93 3f4k s ILE 101 CO 0.03 -0.58 0.98 0.42 0.24 0.00 0.00 174.94 176.04 3f4k s THR 102 N -1.94 4.53 0.00 8.37 -4.23 -1.26 -2.41 115.64 118.70 3f4k s THR 102 Ca -0.10 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 3f4k s THR 102 Cb -0.06 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.06 3f4k s THR 102 CO -0.02 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 3f4k n GLY 103 N -1.53 1.24 3.87 3.99 0.00 0.29 -4.81 105.19 108.23 3f4k n GLY 103 Ca 0.07 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 3f4k n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f4k s SER 104 N 0.00 6.65 0.10 1.61 1.04 -1.26 -3.12 113.70 118.72 3f4k s SER 104 Ca 0.00 1.02 0.26 0.00 0.48 0.00 0.00 55.95 57.71 3f4k s SER 104 Cb 0.00 -2.27 0.68 0.00 0.10 0.00 0.00 66.02 64.54 3f4k s SER 104 CO 0.00 -0.13 1.58 0.80 0.98 0.00 0.00 173.24 176.48 3f4k n MET 105 N -0.28 0.17 -2.04 4.02 1.56 -1.26 -3.94 117.12 115.35 3f4k n MET 105 Ca 0.01 0.09 -0.26 0.00 -0.27 0.00 0.00 57.70 57.27 3f4k n MET 105 Cb 0.53 -1.64 0.02 0.00 2.15 0.00 0.00 33.22 34.28 3f4k n MET 105 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 3f4k n ASP 106 N -1.91 5.23 0.00 6.12 5.75 -1.26 -4.69 116.55 125.79 3f4k n ASP 106 Ca 0.05 -3.75 0.00 0.00 -0.01 0.00 0.00 54.79 51.08 3f4k n ASP 106 Cb 0.40 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3f4k n ASP 106 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3f4k n ASN 107 N -0.68 0.00 -4.76 -1.12 5.15 -1.25 -5.16 115.26 107.43 3f4k n ASN 107 Ca 0.45 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 54.07 3f4k n ASN 107 Cb 0.86 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 40.14 3f4k n ASN 107 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3f4k s LEU 108 N 0.00 3.76 -0.41 1.20 1.43 -1.26 -4.53 118.68 118.87 3f4k s LEU 108 Ca 0.00 2.41 -0.06 0.00 -1.03 0.00 0.00 54.13 55.45 3f4k s LEU 108 Cb 0.00 -4.49 -0.14 0.00 0.03 0.00 0.00 46.19 41.59 3f4k s LEU 108 CO 0.00 -1.43 3.26 -0.81 0.23 0.00 0.00 176.35 177.60 3f4k n PRO 109 N -1.28 2.49 -4.15 1.29 -0.04 -1.26 -4.88 135.00 127.16 3f4k n PRO 109 Ca 0.12 -1.63 -0.10 0.00 -0.04 0.00 0.00 63.50 61.84 3f4k n PRO 109 Cb 0.49 -2.18 -0.10 0.00 -0.04 0.00 0.00 33.50 31.67 3f4k n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3f4k s PHE 110 N 0.38 0.82 0.62 0.54 0.08 -1.26 -5.16 117.98 114.01 3f4k s PHE 110 Ca 0.65 -0.94 -0.07 0.00 0.12 0.00 0.00 56.93 56.69 3f4k s PHE 110 Cb 0.31 -0.49 0.01 0.00 -0.57 0.00 0.00 43.02 42.28 3f4k s PHE 110 CO -0.07 -0.19 0.95 -0.65 -0.10 0.00 0.00 175.22 175.17 3f4k s GLN 111 N -3.81 2.86 0.26 0.44 -0.21 -1.26 -4.99 119.66 112.94 3f4k s GLN 111 Ca 0.11 0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.28 3f4k s GLN 111 Cb 0.06 -2.21 -0.10 0.00 1.00 0.00 0.00 33.01 31.76 3f4k s GLN 111 CO -0.06 -0.81 1.32 -0.80 -2.12 0.00 0.00 175.29 172.82 3f4k s ASN 112 N -4.33 6.83 -1.40 5.90 -0.87 -1.26 -3.12 114.94 116.69 3f4k s ASN 112 Ca 0.55 2.55 -0.03 0.00 -1.57 0.00 0.00 52.86 54.37 3f4k s ASN 112 Cb -0.11 -2.63 0.02 0.00 -0.02 0.00 0.00 41.25 38.52 3f4k s ASN 112 CO 0.47 -0.54 0.65 -0.62 -2.57 0.00 0.00 177.10 174.48 3f4k n GLU 113 N 1.80 -4.34 -0.08 -0.60 1.02 0.88 -4.89 120.64 114.43 3f4k n GLU 113 Ca 0.04 0.53 -0.05 0.00 -0.02 0.00 0.00 57.16 57.65 3f4k n GLU 113 Cb 0.42 -4.99 -0.15 0.00 -0.02 0.00 0.00 31.44 26.70 3f4k n GLU 113 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3f4k n GLU 114 N -4.38 0.88 -3.50 3.49 2.13 -0.73 -4.45 120.64 114.08 3f4k n GLU 114 Ca -0.24 -0.04 -0.28 0.00 0.66 0.00 0.00 57.16 57.26 3f4k n GLU 114 Cb 0.65 -1.48 -0.03 0.00 0.27 0.00 0.00 31.44 30.85 3f4k n GLU 114 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3f4k s LEU 115 N -5.18 4.14 -0.12 4.31 1.43 -0.45 -4.70 118.68 118.11 3f4k s LEU 115 Ca -0.09 0.59 0.18 0.00 -1.03 0.00 0.00 54.13 53.78 3f4k s LEU 115 Cb 0.07 -3.38 -0.26 0.00 0.03 0.00 0.00 46.19 42.65 3f4k s LEU 115 CO 0.78 -0.12 0.21 0.47 0.23 0.00 0.00 176.35 177.92 3f4k n ASP 116 N -0.75 0.45 -3.72 2.29 8.00 -0.04 -0.70 116.55 122.08 3f4k n ASP 116 Ca -0.03 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 3f4k n ASP 116 Cb 0.54 1.32 -0.11 0.00 -0.02 0.00 0.00 41.12 42.85 3f4k n ASP 116 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3f4k s LEU 117 N -4.98 0.25 -0.14 0.64 2.96 -1.17 -2.17 118.68 114.07 3f4k s LEU 117 Ca -0.08 0.75 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 3f4k s LEU 117 Cb 0.08 1.16 -0.01 0.00 0.50 0.00 0.00 46.19 47.92 3f4k s LEU 117 CO 0.78 -0.17 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.89 3f4k s ILE 118 N 1.01 3.08 0.01 6.68 1.01 -0.56 -1.68 121.20 130.76 3f4k s ILE 118 Ca -0.07 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3f4k s ILE 118 Cb -0.07 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 3f4k s ILE 118 CO -0.08 0.52 -0.12 0.86 0.00 0.00 0.00 174.94 176.12 3f4k s TRP 119 N 0.41 1.06 -0.30 3.97 -0.11 0.12 -1.21 118.94 122.88 3f4k s TRP 119 Ca -0.10 -0.27 -0.13 0.00 1.22 0.00 0.00 56.10 56.82 3f4k s TRP 119 Cb -0.16 -0.65 0.13 0.00 -1.50 0.00 0.00 33.47 31.29 3f4k s TRP 119 CO 0.05 0.00 0.78 0.45 -4.62 0.00 0.00 176.95 173.61 3f4k s SER 120 N -0.70 -0.91 -0.25 5.86 0.15 -0.86 -0.97 113.70 116.01 3f4k s SER 120 Ca 0.02 1.29 -0.01 0.00 0.70 0.00 0.00 55.95 57.95 3f4k s SER 120 Cb -0.06 1.92 0.03 0.00 -1.71 0.00 0.00 66.02 66.20 3f4k s SER 120 CO 0.00 -0.18 -0.07 -1.61 1.20 0.00 0.00 173.24 172.58 3f4k s GLU 121 N 2.49 2.72 -0.23 5.44 2.02 -1.26 -1.49 118.70 128.39 3f4k s GLU 121 Ca -0.06 -1.05 -0.06 0.00 0.02 0.00 0.00 54.97 53.82 3f4k s GLU 121 Cb -0.09 -2.97 -0.06 0.00 0.10 0.00 0.00 34.13 31.11 3f4k s GLU 121 CO -0.18 -0.44 0.60 0.41 0.02 0.00 0.00 175.26 175.67 3f4k n GLY 122 N 4.63 -0.12 3.64 -1.39 0.00 -1.11 -4.86 105.19 105.99 3f4k n GLY 122 Ca -0.16 0.20 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3f4k n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4k s ALA 123 N 1.59 -2.14 -0.17 4.61 0.00 -1.26 -4.13 121.76 120.26 3f4k s ALA 123 Ca 0.32 1.74 -0.08 0.00 0.00 0.00 0.00 51.96 53.94 3f4k s ALA 123 Cb -0.27 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.26 3f4k s ALA 123 CO 0.12 -0.16 0.15 -0.89 0.00 0.00 0.00 175.76 174.99 3f4k n ILE 124 N 1.58-10.75 -0.46 0.00 2.08 -1.26 -4.69 119.36 105.85 3f4k n ILE 124 Ca -0.10 2.06 0.02 0.00 0.56 0.00 0.00 62.75 65.29 3f4k n ILE 124 Cb 0.57 -6.06 -0.01 0.00 -0.75 0.00 0.00 39.64 33.39 3f4k n ILE 124 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3f4k n TYR 125 N 1.16 -0.37 -3.63 1.39 4.11 -1.26 -4.83 117.16 113.73 3f4k n TYR 125 Ca -0.26 0.19 -0.14 0.00 -0.00 0.00 0.00 57.90 57.70 3f4k n TYR 125 Cb 0.40 -0.34 -0.07 0.00 -0.00 0.00 0.00 39.34 39.33 3f4k n TYR 125 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 3f4k s ASN 126 N -2.89 -0.74 0.00 9.48 3.84 -1.26 -5.03 114.94 118.34 3f4k s ASN 126 Ca 0.00 1.43 0.23 0.00 0.21 0.00 0.00 52.86 54.73 3f4k s ASN 126 Cb 0.00 1.45 0.12 0.00 -0.55 0.00 0.00 41.25 42.27 3f4k s ASN 126 CO 0.00 -0.25 1.19 2.30 -2.79 0.00 0.00 177.10 177.55 3f4k n ILE 127 N 2.68 0.00 0.00 -5.21 -5.35 -1.26 -5.06 119.36 105.16 3f4k n ILE 127 Ca -0.14 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 3f4k n ILE 127 Cb 0.55 1.41 0.00 0.00 -1.74 0.00 0.00 39.64 39.86 3f4k n ILE 127 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f4k n GLY 128 N 1.35 2.32 0.52 3.28 0.00 -1.26 -4.60 105.19 106.81 3f4k n GLY 128 Ca 0.12 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.30 3f4k n GLY 128 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3f4k h PHE 129 N 0.00 -1.32 -0.58 1.61 3.57 -1.97 -1.48 116.94 116.76 3f4k h PHE 129 Ca 0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3f4k h PHE 129 Cb 0.00 0.47 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 3f4k h PHE 129 CO 0.00 -0.74 0.26 1.49 -2.23 0.00 0.00 178.31 177.09 3f4k h GLU 130 N -1.21 0.47 -0.75 1.11 4.81 -1.94 -0.72 114.58 116.34 3f4k h GLU 130 Ca -0.11 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 3f4k h GLU 130 Cb 0.97 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 3f4k h GLU 130 CO 0.10 0.31 0.26 -0.09 -0.73 0.00 0.00 179.01 178.86 3f4k h ARG 131 N 0.48 1.15 -0.40 1.92 2.43 -1.80 -2.14 114.38 116.02 3f4k h ARG 131 Ca 0.28 -0.23 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 3f4k h ARG 131 Cb 0.27 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3f4k h ARG 131 CO -0.24 0.96 -0.13 0.78 -1.51 0.00 0.00 179.97 179.84 3f4k h GLY 132 N 1.11 0.87 0.68 2.80 0.00 -0.75 -0.11 103.07 107.67 3f4k h GLY 132 Ca 0.25 -0.74 0.04 0.00 0.00 0.00 0.00 47.33 46.88 3f4k h GLY 132 CO -0.01 0.67 0.10 -0.33 0.00 0.00 0.00 176.54 176.97 3f4k h MET 133 N 0.62 0.23 -0.06 4.80 2.86 -0.93 -0.65 114.93 121.80 3f4k h MET 133 Ca 0.10 -0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.48 3f4k h MET 133 Cb 0.67 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.29 3f4k h MET 133 CO 0.05 0.15 -0.93 -0.91 1.06 0.00 0.00 176.91 176.33 3f4k h ASN 134 N 0.24 0.87 0.72 1.22 4.21 -1.35 -3.24 115.58 118.24 3f4k h ASN 134 Ca 0.15 -0.64 -0.24 0.00 1.21 0.00 0.00 56.30 56.78 3f4k h ASN 134 Cb 0.14 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 3f4k h ASN 134 CO -0.17 1.44 -1.08 -0.33 -1.29 0.00 0.00 177.43 176.00 3f4k h GLU 135 N 0.43 0.18 0.00 0.81 5.08 -0.91 -3.28 114.58 116.89 3f4k h GLU 135 Ca -0.09 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3f4k h GLU 135 Cb 1.56 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.91 3f4k h GLU 135 CO 0.18 1.09 0.00 -1.49 -1.00 0.00 0.00 179.01 177.79 3f4k h TRP 136 N 0.06 0.00 -0.34 4.33 6.55 -1.27 -3.35 115.95 121.94 3f4k h TRP 136 Ca -0.08 0.00 0.07 0.00 0.95 0.00 0.00 58.89 59.84 3f4k h TRP 136 Cb 1.80 0.00 -0.08 0.00 -0.86 0.00 0.00 29.16 30.01 3f4k h TRP 136 CO 0.04 0.00 -0.27 1.03 -1.05 0.00 0.00 178.44 178.18 3f4k h SER 137 N 0.00 -0.90 -1.20 -3.49 0.87 -1.61 -2.04 113.55 105.18 3f4k h SER 137 Ca 0.00 0.17 0.34 0.00 -1.23 0.00 0.00 61.79 61.07 3f4k h SER 137 Cb 0.84 0.43 -0.07 0.00 -0.44 0.00 0.00 62.40 63.16 3f4k h SER 137 CO 0.00 -0.29 0.84 0.07 -0.53 0.00 0.00 176.83 176.92 3f4k h LYS 138 N -0.23 0.10 0.00 2.24 2.10 -1.78 0.17 116.57 119.17 3f4k h LYS 138 Ca 0.16 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 3f4k h LYS 138 Cb 0.50 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 3f4k h LYS 138 CO -0.47 0.06 -0.15 0.66 -2.00 0.00 0.00 179.45 177.55 3f4k n TYR 139 N -4.31 0.22 -3.63 0.07 4.01 -0.77 -0.08 117.16 112.67 3f4k n TYR 139 Ca 0.27 0.06 -0.36 0.00 -0.16 0.00 0.00 57.90 57.71 3f4k n TYR 139 Cb 1.21 -0.55 -0.07 0.00 -0.31 0.00 0.00 39.34 39.62 3f4k n TYR 139 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3f4k s LEU 140 N -3.38 4.28 0.63 7.72 2.96 0.61 -1.34 118.68 130.15 3f4k s LEU 140 Ca 0.12 0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 54.32 3f4k s LEU 140 Cb 0.17 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3f4k s LEU 140 CO 0.59 0.18 1.24 -0.54 -1.32 0.00 0.00 176.35 176.51 3f4k s LYS 141 N 0.09 2.72 0.22 1.98 1.02 0.12 -4.33 119.74 121.57 3f4k s LYS 141 Ca 0.15 1.92 -0.30 0.00 0.02 0.00 0.00 55.97 57.75 3f4k s LYS 141 Cb -0.13 -1.89 -0.10 0.00 -0.52 0.00 0.00 37.83 35.20 3f4k s LYS 141 CO 0.03 -1.42 1.43 0.15 -0.92 0.00 0.00 175.35 174.62 3f4k s LYS 142 N -3.40 4.29 0.00 1.68 1.02 -1.26 -1.10 119.74 120.96 3f4k s LYS 142 Ca 0.79 2.25 0.00 0.00 0.02 0.00 0.00 55.97 59.03 3f4k s LYS 142 Cb -0.33 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 3f4k s LYS 142 CO 0.37 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 3f4k n GLY 143 N 2.54 1.44 3.73 -3.33 0.00 0.02 -5.01 105.19 104.58 3f4k n GLY 143 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3f4k n GLY 143 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f4k s GLY 144 N -2.02 1.58 0.23 -0.02 0.00 -0.26 -4.67 107.32 102.16 3f4k s GLY 144 Ca 0.00 -0.59 0.11 0.00 0.00 0.00 0.00 44.72 44.24 3f4k s GLY 144 CO 0.00 0.05 -0.17 -1.36 0.00 0.00 0.00 173.10 171.62 3f4k s PHE 145 N -3.18 2.40 0.01 1.90 0.08 -0.92 -1.09 117.98 117.18 3f4k s PHE 145 Ca 0.66 -0.31 0.05 0.00 0.12 0.00 0.00 56.93 57.45 3f4k s PHE 145 Cb -0.15 -1.12 -0.02 0.00 -0.57 0.00 0.00 43.02 41.17 3f4k s PHE 145 CO 0.55 0.60 -0.16 -1.50 -0.10 0.00 0.00 175.22 174.61 3f4k s ILE 146 N -2.08 1.25 -0.20 0.64 2.07 -0.36 -1.50 121.20 121.02 3f4k s ILE 146 Ca 0.26 -0.86 -0.04 0.00 -1.41 0.00 0.00 60.65 58.61 3f4k s ILE 146 Cb -0.07 -1.08 0.10 0.00 0.13 0.00 0.00 42.46 41.54 3f4k s ILE 146 CO 0.14 0.20 0.24 0.00 -1.91 0.00 0.00 174.94 173.61 3f4k s ALA 147 N -0.60 -0.38 0.01 1.50 0.00 -0.35 -1.45 121.76 120.51 3f4k s ALA 147 Ca 0.05 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.41 3f4k s ALA 147 Cb -0.07 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 3f4k s ALA 147 CO 0.00 -1.19 -0.15 0.14 0.00 0.00 0.00 175.76 174.56 3f4k s VAL 148 N 2.35 1.18 -0.10 0.00 -7.23 -0.56 -2.03 120.40 114.01 3f4k s VAL 148 Ca 0.07 -0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 3f4k s VAL 148 Cb -0.16 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 3f4k s VAL 148 CO -0.12 0.19 0.02 -0.94 -0.31 0.00 0.00 175.10 173.93 3f4k s SER 149 N -0.74 5.39 -0.00 4.85 1.04 -0.55 -0.19 113.70 123.50 3f4k s SER 149 Ca 0.04 0.17 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 3f4k s SER 149 Cb -0.07 -1.59 0.02 0.00 0.10 0.00 0.00 66.02 64.48 3f4k s SER 149 CO 0.00 0.36 0.30 -0.70 0.98 0.00 0.00 173.24 174.19 3f4k s GLU 150 N -0.77 0.69 0.06 4.02 2.12 0.95 -2.74 118.70 123.02 3f4k s GLU 150 Ca 0.12 -0.26 -0.31 0.00 0.36 0.00 0.00 54.97 54.89 3f4k s GLU 150 Cb -0.12 0.30 -0.07 0.00 0.26 0.00 0.00 34.13 34.51 3f4k s GLU 150 CO 0.02 -0.20 1.40 0.00 -0.54 0.00 0.00 175.26 175.95 3f4k s ALA 151 N -1.56 3.58 0.09 6.30 0.00 -1.26 0.03 121.76 128.95 3f4k s ALA 151 Ca -0.12 1.00 0.02 0.00 0.00 0.00 0.00 51.96 52.86 3f4k s ALA 151 Cb -0.04 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3f4k s ALA 151 CO 0.03 -0.77 -0.07 -1.12 0.00 0.00 0.00 175.76 173.83 3f4k s SER 152 N 1.55 1.14 0.29 0.00 0.01 0.22 -4.54 113.70 112.36 3f4k s SER 152 Ca 0.64 -0.94 -0.26 0.00 1.31 0.00 0.00 55.95 56.70 3f4k s SER 152 Cb -0.34 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 65.88 3f4k s SER 152 CO 0.29 -0.42 0.92 0.26 0.41 0.00 0.00 173.24 174.69 3f4k s TRP 153 N -3.29 3.77 -1.62 2.43 0.23 -0.36 -2.38 118.94 117.72 3f4k s TRP 153 Ca 0.09 1.77 0.18 0.00 -2.03 0.00 0.00 56.10 56.11 3f4k s TRP 153 Cb 0.03 -2.90 -0.01 0.00 0.03 0.00 0.00 33.47 30.62 3f4k s TRP 153 CO -0.04 0.30 0.92 1.19 0.96 0.00 0.00 176.95 180.28 3f4k n PHE 154 N 0.85 0.00 -4.24 -1.98 3.72 0.21 -3.59 117.46 112.43 3f4k n PHE 154 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.27 3f4k n PHE 154 Cb 0.49 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.93 3f4k n PHE 154 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3f4k s THR 155 N -2.08 0.29 0.29 4.37 -4.23 -1.26 -5.00 115.64 108.02 3f4k s THR 155 Ca 0.15 -1.99 0.11 0.00 -1.18 0.00 0.00 61.69 58.78 3f4k s THR 155 Cb 0.14 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.53 3f4k s THR 155 CO 0.46 -0.10 1.67 0.77 -0.54 0.00 0.00 174.62 176.88 3f4k h SER 156 N 2.57 0.00 -4.76 3.99 4.64 -1.96 -3.46 113.55 114.57 3f4k h SER 156 Ca -0.37 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.84 3f4k h SER 156 Cb 1.24 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.12 3f4k h SER 156 CO 0.58 0.55 -0.25 -1.83 -0.87 0.00 0.00 176.83 175.01 3f4k s GLU 157 N -3.74 0.64 0.31 4.77 -1.05 -1.26 -5.12 118.70 113.25 3f4k s GLU 157 Ca -0.02 -0.02 0.03 0.00 -0.15 0.00 0.00 54.97 54.81 3f4k s GLU 157 Cb 0.13 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 3f4k s GLU 157 CO 0.75 -0.17 0.13 1.03 0.95 0.00 0.00 175.26 177.95 3f4k s ARG 158 N -1.01 1.59 0.51 -4.83 3.00 -1.26 -5.09 118.95 111.87 3f4k s ARG 158 Ca -0.11 -1.91 -0.22 0.00 0.00 0.00 0.00 55.73 53.50 3f4k s ARG 158 Cb -0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 34.95 34.56 3f4k s ARG 158 CO 0.04 -0.38 1.30 -2.14 0.00 0.00 0.00 175.30 174.11 3f4k s PRO 159 N -3.87 3.37 0.46 3.54 0.02 -1.26 -4.85 135.00 132.42 3f4k s PRO 159 Ca 0.35 2.10 0.20 0.00 0.02 0.00 0.00 61.00 63.67 3f4k s PRO 159 Cb 0.06 -2.33 1.19 0.00 0.02 0.00 0.00 34.50 33.44 3f4k s PRO 159 CO 0.16 -0.96 1.92 0.00 -0.33 0.00 0.00 177.00 177.79 3f4k h ALA 160 N 1.71 2.31 -0.23 -1.55 0.00 -2.00 -2.69 119.26 116.81 3f4k h ALA 160 Ca -0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3f4k h ALA 160 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3f4k h ALA 160 CO 0.58 -0.52 0.13 1.49 0.00 0.00 0.00 179.25 180.93 3f4k h GLU 161 N 0.27 0.32 -0.03 0.00 4.81 -1.99 0.57 114.58 118.52 3f4k h GLU 161 Ca 0.37 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.39 3f4k h GLU 161 Cb 1.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3f4k h GLU 161 CO -0.09 0.29 -0.73 0.97 -0.73 0.00 0.00 179.01 178.72 3f4k h ILE 162 N 0.27 1.44 -0.15 2.32 6.09 -1.87 -2.43 117.51 123.18 3f4k h ILE 162 Ca 0.08 -2.29 -0.03 0.00 -1.37 0.00 0.00 64.86 61.25 3f4k h ILE 162 Cb 0.06 2.23 -0.00 0.00 0.47 0.00 0.00 36.82 39.57 3f4k h ILE 162 CO -0.01 0.67 -0.04 -0.08 -3.07 0.00 0.00 178.15 175.62 3f4k h GLU 163 N 0.14 0.29 -0.53 2.19 4.81 -1.33 -2.40 114.58 117.74 3f4k h GLU 163 Ca -0.02 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3f4k h GLU 163 Cb 1.29 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.61 3f4k h GLU 163 CO 0.11 0.58 0.27 -0.44 -0.73 0.00 0.00 179.01 178.80 3f4k h ASP 164 N -0.02 0.38 -0.11 1.04 3.32 -0.88 0.12 116.42 120.27 3f4k h ASP 164 Ca 0.04 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.16 3f4k h ASP 164 Cb 0.47 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 3f4k h ASP 164 CO 0.02 0.26 -0.25 0.15 -1.72 0.00 0.00 179.24 177.69 3f4k h PHE 165 N 0.52 -0.68 -0.12 4.55 3.57 -1.31 -2.79 116.94 120.67 3f4k h PHE 165 Ca 0.24 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 3f4k h PHE 165 Cb 0.15 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3f4k h PHE 165 CO -0.10 -0.34 -0.61 -1.49 -2.23 0.00 0.00 178.31 173.54 3f4k h TRP 166 N -0.33 0.53 0.00 0.41 4.06 -1.04 -0.05 115.95 119.53 3f4k h TRP 166 Ca 0.09 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 60.84 3f4k h TRP 166 Cb 0.47 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3f4k h TRP 166 CO -0.34 0.91 0.00 -1.33 -3.56 0.00 0.00 178.44 174.12 3f4k n MET 167 N -3.90 0.02 -0.09 0.49 2.81 0.39 -0.52 117.12 116.32 3f4k n MET 167 Ca -0.03 0.37 -0.18 0.00 -1.81 0.00 0.00 57.70 56.05 3f4k n MET 167 Cb 0.63 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.58 3f4k n MET 167 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3f4k n ASP 168 N -1.45 1.37 -0.05 7.83 2.03 -1.02 -4.31 116.55 120.96 3f4k n ASP 168 Ca 0.02 0.18 -0.13 0.00 0.52 0.00 0.00 54.79 55.38 3f4k n ASP 168 Cb 0.05 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 39.89 3f4k n ASP 168 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3f4k h ALA 169 N -0.57 0.19 -1.82 -1.67 0.00 -0.74 -3.42 119.26 111.23 3f4k h ALA 169 Ca -0.44 -0.28 -0.34 0.00 0.00 0.00 0.00 54.91 53.86 3f4k h ALA 169 Cb 1.40 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.86 3f4k h ALA 169 CO -0.25 0.01 -0.67 -0.47 0.00 0.00 0.00 179.25 177.87 3f4k s TYR 170 N -4.49 -0.43 -0.06 0.00 5.04 0.32 -5.03 117.35 112.71 3f4k s TYR 170 Ca -0.14 -0.80 0.28 0.00 -2.44 0.00 0.00 57.07 53.97 3f4k s TYR 170 Cb 0.05 -0.32 1.41 0.00 0.35 0.00 0.00 41.96 43.44 3f4k s TYR 170 CO 0.73 -1.00 1.84 -1.00 -1.34 0.00 0.00 175.55 174.78 3f4k h PRO 171 N 6.85 0.00 -0.19 4.97 0.13 -1.71 -2.69 132.00 139.37 3f4k h PRO 171 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3f4k h PRO 171 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3f4k h PRO 171 CO 0.19 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.05 3f4k n GLU 172 N -2.48 1.51 -2.07 0.86 2.13 -1.26 -4.89 120.64 114.45 3f4k n GLU 172 Ca -0.01 -0.79 -0.42 0.00 0.66 0.00 0.00 57.16 56.61 3f4k n GLU 172 Cb 0.10 -1.24 -0.03 0.00 0.27 0.00 0.00 31.44 30.54 3f4k n GLU 172 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3f4k s ILE 173 N -1.75 2.98 0.29 6.31 2.07 -1.01 -4.90 121.20 125.18 3f4k s ILE 173 Ca 0.20 0.71 0.04 0.00 -1.41 0.00 0.00 60.65 60.20 3f4k s ILE 173 Cb 0.10 -3.46 -0.03 0.00 0.13 0.00 0.00 42.46 39.20 3f4k s ILE 173 CO 0.15 0.06 0.24 -0.94 -1.91 0.00 0.00 174.94 172.54 3f4k s SER 174 N 1.02 1.15 0.78 4.50 1.04 -1.26 -4.89 113.70 116.03 3f4k s SER 174 Ca 0.66 -1.63 -0.11 0.00 0.48 0.00 0.00 55.95 55.35 3f4k s SER 174 Cb -0.40 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.29 3f4k s SER 174 CO 0.32 -1.00 1.10 0.68 0.98 0.00 0.00 173.24 175.33 3f4k s VAL 175 N -3.67 3.10 0.27 5.02 -7.23 -1.26 -1.22 120.40 115.41 3f4k s VAL 175 Ca 0.40 0.38 -0.02 0.00 -1.81 0.00 0.00 61.98 60.93 3f4k s VAL 175 Cb 0.04 -2.80 0.27 0.00 0.56 0.00 0.00 36.38 34.44 3f4k s VAL 175 CO 0.22 -0.45 1.86 0.40 -0.31 0.00 0.00 175.10 176.83 3f4k h ILE 176 N -1.08 1.02 -0.89 -0.62 2.04 -1.94 -2.60 117.51 113.44 3f4k h ILE 176 Ca -0.44 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.14 3f4k h ILE 176 Cb 1.24 -0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 3f4k h ILE 176 CO 0.50 0.20 0.58 -0.65 0.00 0.00 0.00 178.15 178.78 3f4k h PRO 177 N 1.09 0.90 -0.25 2.37 0.11 -1.93 -1.71 132.00 132.58 3f4k h PRO 177 Ca 0.45 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.34 3f4k h PRO 177 Cb 0.27 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3f4k h PRO 177 CO -0.21 0.59 -0.49 1.15 -0.21 0.00 0.00 178.00 178.84 3f4k h THR 178 N 0.93 1.30 -0.20 -1.15 2.02 -1.83 -0.98 112.91 113.00 3f4k h THR 178 Ca 0.41 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 3f4k h THR 178 Cb 0.34 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3f4k h THR 178 CO -0.17 0.54 0.06 0.00 0.37 0.00 0.00 175.52 176.32 3f4k h ILE 180 N 0.14 1.21 -0.48 0.00 2.04 -1.23 0.21 117.51 119.40 3f4k h ILE 180 Ca 0.06 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3f4k h ILE 180 Cb 0.24 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3f4k h ILE 180 CO -0.00 0.22 0.31 -0.78 0.00 0.00 0.00 178.15 177.90 3f4k h ASP 181 N 1.07 0.53 -0.33 1.72 3.58 -0.97 -1.39 116.42 120.63 3f4k h ASP 181 Ca 0.28 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.66 3f4k h ASP 181 Cb -0.07 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3f4k h ASP 181 CO -0.06 0.38 -0.01 0.11 -2.88 0.00 0.00 179.24 176.78 3f4k h LYS 182 N 0.63 0.70 -0.17 0.28 1.57 -0.37 -1.72 116.57 117.49 3f4k h LYS 182 Ca 0.18 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3f4k h LYS 182 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3f4k h LYS 182 CO -0.05 0.72 0.07 1.98 -0.57 0.00 0.00 179.45 181.59 3f4k h MET 183 N 0.66 0.26 -0.72 3.15 4.05 -0.49 -2.48 114.93 119.36 3f4k h MET 183 Ca 0.13 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 3f4k h MET 183 Cb 0.42 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 3f4k h MET 183 CO 0.02 0.33 0.25 1.49 0.23 0.00 0.00 176.91 179.23 3f4k h GLU 184 N 0.12 1.08 0.00 0.39 4.22 -1.08 -2.54 114.58 116.78 3f4k h GLU 184 Ca 0.06 -0.21 -0.05 0.00 0.08 0.00 0.00 59.36 59.24 3f4k h GLU 184 Cb 0.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3f4k h GLU 184 CO -0.00 0.91 -0.22 0.00 -2.18 0.00 0.00 179.01 177.51 3f4k h ARG 185 N 1.05 0.00 0.00 1.92 3.08 -1.25 -2.06 114.38 117.13 3f4k h ARG 185 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3f4k h ARG 185 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3f4k h ARG 185 CO -0.01 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 3f4k n ALA 186 N -2.24 2.56 -0.22 0.04 0.00 -0.94 -4.87 120.51 114.83 3f4k n ALA 186 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3f4k n ALA 186 Cb 0.40 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3f4k n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f4k n GLY 187 N 0.76 0.88 3.55 0.00 0.00 -0.77 -4.81 105.19 104.79 3f4k n GLY 187 Ca 0.19 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3f4k n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f4k s TYR 188 N -2.00 2.80 -0.06 1.61 2.02 -1.14 -1.34 117.35 119.23 3f4k s TYR 188 Ca 0.00 -0.09 -0.30 0.00 -0.37 0.00 0.00 57.07 56.31 3f4k s TYR 188 Cb 0.00 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 3f4k s TYR 188 CO 0.00 0.32 1.10 0.99 -1.57 0.00 0.00 175.55 176.38 3f4k s THR 189 N -0.93 4.52 -1.04 -0.71 2.01 0.58 -3.82 115.64 116.25 3f4k s THR 189 Ca 0.15 1.81 -0.20 0.00 0.31 0.00 0.00 61.69 63.77 3f4k s THR 189 Cb -0.11 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 3f4k s THR 189 CO 0.05 0.03 1.97 -0.81 -0.69 0.00 0.00 174.62 175.17 3f4k n PRO 190 N 4.89 1.97 -0.21 4.92 -0.04 -1.26 -1.63 135.00 143.64 3f4k n PRO 190 Ca 0.09 -2.26 -0.00 0.00 -0.04 0.00 0.00 63.50 61.29 3f4k n PRO 190 Cb 0.48 -3.20 0.07 0.00 -0.04 0.00 0.00 33.50 30.80 3f4k n PRO 190 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3f4k h THR 191 N 4.79 0.38 -2.33 0.52 2.02 -1.80 -3.46 112.91 113.02 3f4k h THR 191 Ca 0.42 -0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.72 3f4k h THR 191 Cb 0.73 0.37 -0.13 0.00 -1.74 0.00 0.00 68.15 67.38 3f4k h THR 191 CO 1.76 0.00 0.48 0.00 0.37 0.00 0.00 175.52 178.13 3f4k s ALA 192 N -6.22 -1.76 -0.03 6.16 0.00 -0.68 -5.00 121.76 114.23 3f4k s ALA 192 Ca -0.14 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 3f4k s ALA 192 Cb 0.19 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.85 3f4k s ALA 192 CO 0.74 -0.80 0.35 -3.38 0.00 0.00 0.00 175.76 172.67 3f4k s HIS 193 N -3.20 -0.25 -0.24 0.00 -0.00 -1.26 -0.36 115.29 109.98 3f4k s HIS 193 Ca 0.07 0.42 -0.26 0.00 -0.00 0.00 0.00 55.06 55.30 3f4k s HIS 193 Cb -0.01 0.13 0.07 0.00 -0.00 0.00 0.00 32.58 32.77 3f4k s HIS 193 CO -0.06 -0.40 0.72 -0.59 -0.00 0.00 0.00 174.74 174.42 3f4k s PHE 194 N -1.17 -0.77 0.15 0.38 -0.12 -0.72 -4.97 117.98 110.76 3f4k s PHE 194 Ca -0.12 1.82 -0.30 0.00 -0.05 0.00 0.00 56.93 58.28 3f4k s PHE 194 Cb -0.04 0.29 -0.07 0.00 -0.63 0.00 0.00 43.02 42.57 3f4k s PHE 194 CO 0.04 -0.40 1.01 0.42 -0.05 0.00 0.00 175.22 176.25 3f4k s ILE 195 N 0.19 4.22 0.13 -4.49 1.01 -1.26 -0.93 121.20 120.08 3f4k s ILE 195 Ca -0.01 1.90 -0.30 0.00 0.00 0.00 0.00 60.65 62.23 3f4k s ILE 195 Cb -0.04 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 3f4k s ILE 195 CO 0.02 0.31 1.18 -0.76 0.00 0.00 0.00 174.94 175.69 3f4k s LEU 196 N -0.22 4.42 0.81 2.97 1.02 -0.72 -4.95 118.68 122.02 3f4k s LEU 196 Ca 0.47 2.11 -0.14 0.00 0.02 0.00 0.00 54.13 56.60 3f4k s LEU 196 Cb -0.26 -3.59 0.05 0.00 0.02 0.00 0.00 46.19 42.40 3f4k s LEU 196 CO 0.32 -0.38 0.91 -2.65 0.02 0.00 0.00 176.35 174.57 3f4k n PRO 197 N 3.08 0.14 -0.29 1.29 -0.02 -1.26 -4.79 135.00 133.15 3f4k n PRO 197 Ca 0.06 0.11 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 3f4k n PRO 197 Cb 0.46 -2.20 0.38 0.00 -0.02 0.00 0.00 33.50 32.12 3f4k n PRO 197 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3f4k h GLU 198 N -0.87 0.66 -0.01 -0.52 4.81 -2.01 -1.22 114.58 115.41 3f4k h GLU 198 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3f4k h GLU 198 Cb 1.31 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 3f4k h GLU 198 CO 0.43 0.44 0.07 -2.95 -0.73 0.00 0.00 179.01 176.27 3f4k h ASN 199 N 0.68 0.00 0.37 1.04 -1.07 -1.97 0.21 115.58 114.84 3f4k h ASN 199 Ca 0.49 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.83 3f4k h ASN 199 Cb 0.84 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.08 3f4k h ASN 199 CO -0.25 0.00 -0.16 0.00 0.07 0.00 0.00 177.43 177.09 3f4k h TRP 201 N 0.00 0.00 0.54 0.00 4.06 -0.76 -2.40 115.95 117.38 3f4k h TRP 201 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3f4k h TRP 201 Cb 0.39 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.55 3f4k h TRP 201 CO 0.00 0.00 -0.26 1.79 -3.56 0.00 0.00 178.44 176.41 3f4k h THR 202 N -0.90 0.12 0.03 1.49 1.35 -1.49 0.31 112.91 113.82 3f4k h THR 202 Ca 0.00 -0.47 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3f4k h THR 202 Cb 0.45 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 3f4k h THR 202 CO 0.00 0.02 -0.02 -0.08 -0.25 0.00 0.00 175.52 175.20 3f4k h GLU 203 N -1.14 -0.04 -0.01 4.72 4.81 -1.66 -0.08 114.58 121.18 3f4k h GLU 203 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3f4k h GLU 203 Cb 0.59 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3f4k h GLU 203 CO 0.12 0.34 -0.39 0.72 -0.73 0.00 0.00 179.01 179.07 3f4k n HIS 204 N -4.92 0.00 0.05 0.92 8.25 -0.67 -4.24 115.22 114.61 3f4k n HIS 204 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3f4k n HIS 204 Cb 0.21 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3f4k n HIS 204 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3f4k n TYR 205 N -0.77 -0.38 0.04 4.41 9.36 -0.94 -4.74 117.16 124.14 3f4k n TYR 205 Ca 0.10 0.07 -0.12 0.00 3.32 0.00 0.00 57.90 61.27 3f4k n TYR 205 Cb 0.36 0.12 -0.09 0.00 -0.63 0.00 0.00 39.34 39.11 3f4k n TYR 205 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3f4k h PHE 206 N 0.00 -0.15 -0.26 2.98 0.04 -0.40 -3.34 116.94 115.82 3f4k h PHE 206 Ca 0.00 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 3f4k h PHE 206 Cb 0.27 0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.40 3f4k h PHE 206 CO 0.00 0.33 -0.23 0.00 -0.60 0.00 0.00 178.31 177.81 3f4k h ALA 207 N -0.03 -0.09 -0.62 2.45 0.00 -1.20 -0.88 119.26 118.90 3f4k h ALA 207 Ca -0.02 0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.16 3f4k h ALA 207 Cb 0.54 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3f4k h ALA 207 CO 0.03 -0.65 0.59 -1.35 0.00 0.00 0.00 179.25 177.87 3f4k h PRO 208 N -0.22 0.00 0.00 0.00 0.11 -1.74 0.68 132.00 130.84 3f4k h PRO 208 Ca 0.14 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3f4k h PRO 208 Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3f4k h PRO 208 CO -0.39 0.00 -0.21 1.96 -0.21 0.00 0.00 178.00 179.15 3f4k h GLN 209 N 0.00 0.00 0.00 1.05 4.20 -1.27 -2.82 115.11 116.28 3f4k h GLN 209 Ca 0.30 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.94 3f4k h GLN 209 Cb 1.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.24 3f4k h GLN 209 CO -0.00 0.21 -0.30 -0.44 -0.67 0.00 0.00 178.83 177.62 3f4k h ASP 210 N 0.00 0.00 0.38 1.46 3.32 0.42 -2.48 116.42 119.52 3f4k h ASP 210 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3f4k h ASP 210 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3f4k h ASP 210 CO 0.03 0.30 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.34 3f4k h GLU 211 N 0.00 -0.49 0.00 3.56 5.08 -1.52 -3.26 114.58 117.94 3f4k h GLU 211 Ca -0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3f4k h GLU 211 Cb 0.63 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3f4k h GLU 211 CO 0.04 -0.18 0.00 1.33 -1.00 0.00 0.00 179.01 179.20 3f4k n VAL 212 N -5.17 0.75 -0.07 3.13 0.24 -1.21 -4.02 118.33 111.98 3f4k n VAL 212 Ca -0.10 0.11 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 3f4k n VAL 212 Cb 0.28 -0.96 -0.05 0.00 -1.47 0.00 0.00 33.84 31.65 3f4k n VAL 212 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3f4k h ARG 213 N 0.00 -0.36 -0.11 7.34 2.43 -1.49 -2.40 114.38 119.79 3f4k h ARG 213 Ca 0.00 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3f4k h ARG 213 Cb 0.43 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3f4k h ARG 213 CO 0.00 -0.24 -0.16 1.49 -1.51 0.00 0.00 179.97 179.55 3f4k h GLU 214 N -0.38 -0.11 -0.57 0.20 4.81 -1.78 0.25 114.58 117.00 3f4k h GLU 214 Ca 0.12 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3f4k h GLU 214 Cb 0.59 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.93 3f4k h GLU 214 CO -0.49 -0.08 0.22 1.79 -0.73 0.00 0.00 179.01 179.72 3f4k h THR 215 N -0.12 0.80 -0.32 0.32 1.35 -1.83 -1.33 112.91 111.79 3f4k h THR 215 Ca 0.02 -0.14 0.06 0.00 -0.55 0.00 0.00 66.41 65.80 3f4k h THR 215 Cb 0.17 0.36 -0.05 0.00 -1.73 0.00 0.00 68.15 66.90 3f4k h THR 215 CO -0.17 0.07 0.01 0.15 -0.25 0.00 0.00 175.52 175.34 3f4k h PHE 216 N 0.40 -0.00 -0.30 4.73 3.57 -1.07 -1.74 116.94 122.54 3f4k h PHE 216 Ca 0.28 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 3f4k h PHE 216 Cb 0.32 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3f4k h PHE 216 CO -0.16 -0.05 0.16 0.52 -2.23 0.00 0.00 178.31 176.55 3f4k h MET 217 N 0.10 0.42 -0.35 1.11 2.86 -0.40 -0.72 114.93 117.96 3f4k h MET 217 Ca 0.15 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.81 3f4k h MET 217 Cb 0.20 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 3f4k h MET 217 CO -0.25 0.37 -0.08 0.87 1.06 0.00 0.00 176.91 178.88 3f4k h LYS 218 N 0.35 0.01 -0.26 1.72 1.57 -0.95 0.99 116.57 120.00 3f4k h LYS 218 Ca 0.10 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3f4k h LYS 218 Cb 0.08 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3f4k h LYS 218 CO -0.02 0.01 0.08 1.49 -0.57 0.00 0.00 179.45 180.44 3f4k h GLU 219 N 0.01 0.40 -0.38 3.15 4.57 -1.13 -3.33 114.58 117.87 3f4k h GLU 219 Ca 0.17 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 3f4k h GLU 219 Cb 0.25 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 3f4k h GLU 219 CO -0.35 0.47 0.03 0.72 -1.18 0.00 0.00 179.01 178.70 3f4k n HIS 220 N -4.74 1.33 0.29 0.92 8.25 -0.29 -4.60 115.22 116.37 3f4k n HIS 220 Ca -0.03 -1.02 0.17 0.00 -0.26 0.00 0.00 57.72 56.58 3f4k n HIS 220 Cb 0.16 -0.42 0.88 0.00 1.12 0.00 0.00 29.99 31.72 3f4k n HIS 220 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f4k h ALA 221 N 2.06 1.15 0.00 -1.41 0.00 -0.91 -1.98 119.26 118.17 3f4k h ALA 221 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f4k h ALA 221 Cb 1.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3f4k h ALA 221 CO 0.36 0.06 -0.54 0.78 0.00 0.00 0.00 179.25 179.91 3f4k h GLY 222 N 0.80 0.00 -7.10 0.00 0.00 -1.85 -3.45 103.07 91.48 3f4k h GLY 222 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 3f4k h GLY 222 CO 0.01 0.00 0.37 0.21 0.00 0.00 0.00 176.54 177.13 3f4k s ASN 223 N -4.79 6.36 0.24 0.19 3.84 -0.74 -4.94 114.94 115.09 3f4k s ASN 223 Ca 0.05 -0.31 -0.05 0.00 0.21 0.00 0.00 52.86 52.77 3f4k s ASN 223 Cb 0.11 -2.39 0.39 0.00 -0.55 0.00 0.00 41.25 38.82 3f4k s ASN 223 CO 0.71 -1.01 1.79 0.50 -2.79 0.00 0.00 177.10 176.30 3f4k h LYS 224 N 9.09 0.65 -0.17 0.43 1.63 -1.86 -1.20 116.57 125.13 3f4k h LYS 224 Ca -0.26 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.44 3f4k h LYS 224 Cb 1.08 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 3f4k h LYS 224 CO 1.00 0.43 -0.20 1.15 -3.45 0.00 0.00 179.45 178.38 3f4k h THR 225 N 0.67 1.22 -0.19 1.00 2.02 -1.94 -1.94 112.91 113.75 3f4k h THR 225 Ca 0.39 -1.01 -0.20 0.00 0.77 0.00 0.00 66.41 66.35 3f4k h THR 225 Cb 0.41 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3f4k h THR 225 CO -0.28 0.31 -0.69 0.00 0.37 0.00 0.00 175.52 175.24 3f4k h ALA 226 N 1.53 0.42 0.00 6.16 0.00 -1.56 -2.19 119.26 123.62 3f4k h ALA 226 Ca 0.05 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3f4k h ALA 226 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3f4k h ALA 226 CO 0.03 0.69 -0.43 0.52 0.00 0.00 0.00 179.25 180.06 3f4k h MET 227 N 0.55 0.00 0.00 0.00 2.07 -1.11 -1.93 114.93 114.51 3f4k h MET 227 Ca -0.03 0.00 -0.17 0.00 -2.07 0.00 0.00 59.70 57.44 3f4k h MET 227 Cb 1.30 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 31.01 3f4k h MET 227 CO 0.14 0.43 -0.80 -0.44 1.07 0.00 0.00 176.91 177.31 3f4k h ASP 228 N 0.00 0.00 -0.39 1.22 3.32 -1.30 -1.87 116.42 117.39 3f4k h ASP 228 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 3f4k h ASP 228 Cb 0.92 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3f4k h ASP 228 CO 0.06 0.80 -0.24 0.15 -1.72 0.00 0.00 179.24 178.29 3f4k h PHE 229 N 0.00 0.99 -0.23 4.55 3.57 -0.99 -1.94 116.94 122.89 3f4k h PHE 229 Ca -0.01 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 61.20 3f4k h PHE 229 Cb 1.44 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3f4k h PHE 229 CO 0.00 1.04 0.01 0.52 -2.23 0.00 0.00 178.31 177.65 3f4k h MET 230 N 0.66 0.41 -0.07 1.11 2.86 -1.29 -1.40 114.93 117.22 3f4k h MET 230 Ca 0.08 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3f4k h MET 230 Cb 0.80 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 3f4k h MET 230 CO 0.07 0.58 0.04 0.87 1.06 0.00 0.00 176.91 179.53 3f4k h LYS 231 N 0.19 0.08 -0.02 1.72 1.57 -1.34 -1.12 116.57 117.65 3f4k h LYS 231 Ca 0.07 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3f4k h LYS 231 Cb 0.39 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3f4k h LYS 231 CO 0.01 0.05 -0.00 0.78 -0.57 0.00 0.00 179.45 179.72 3f4k h GLY 232 N 0.09 0.03 1.17 3.86 0.00 -0.76 -0.82 103.07 106.63 3f4k h GLY 232 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3f4k h GLY 232 CO -0.01 0.02 0.36 1.46 0.00 0.00 0.00 176.54 178.37 3f4k h GLN 233 N -0.28 1.08 -0.15 4.80 1.08 -0.64 -1.42 115.11 119.57 3f4k h GLN 233 Ca 0.00 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 56.98 3f4k h GLN 233 Cb 0.32 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3f4k h GLN 233 CO 0.00 0.83 -0.21 1.96 -0.95 0.00 0.00 178.83 180.46 3f4k h GLN 234 N 1.07 0.27 -0.40 1.46 4.20 -1.14 -1.86 115.11 118.71 3f4k h GLN 234 Ca 0.26 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 3f4k h GLN 234 Cb 0.11 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3f4k h GLN 234 CO -0.03 0.48 0.01 -0.92 -0.67 0.00 0.00 178.83 177.70 3f4k h TYR 235 N 0.25 0.76 -0.49 2.96 3.20 -0.13 -1.98 116.97 121.55 3f4k h TYR 235 Ca 0.04 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 3f4k h TYR 235 Cb 0.52 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3f4k h TYR 235 CO 0.01 0.77 0.12 0.93 -1.64 0.00 0.00 178.16 178.35 3f4k h GLU 236 N 0.53 0.73 -0.35 1.82 5.08 -0.92 0.65 114.58 122.12 3f4k h GLU 236 Ca 0.11 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3f4k h GLU 236 Cb 0.46 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3f4k h GLU 236 CO 0.02 0.66 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.56 3f4k h ARG 237 N 0.71 0.65 0.00 2.33 2.43 -1.15 -2.52 114.38 116.83 3f4k h ARG 237 Ca 0.16 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3f4k h ARG 237 Cb 0.25 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3f4k h ARG 237 CO -0.00 0.79 -0.31 0.66 -1.51 0.00 0.00 179.97 179.60 3f4k h SER 238 N 0.45 0.00 0.28 -3.80 4.64 -0.96 -2.48 113.55 111.69 3f4k h SER 238 Ca 0.10 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 3f4k h SER 238 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3f4k h SER 238 CO 0.03 0.31 -0.45 -0.07 -0.87 0.00 0.00 176.83 175.77 3f4k h LEU 239 N 0.00 0.22 0.22 5.97 3.38 -0.65 -2.76 115.31 121.69 3f4k h LEU 239 Ca -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3f4k h LEU 239 Cb 0.78 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3f4k h LEU 239 CO 0.04 0.64 -0.10 0.22 0.09 0.00 0.00 178.44 179.33 3f4k h TYR 240 N 0.17 -0.27 -0.31 1.13 3.20 -1.02 0.91 116.97 120.78 3f4k h TYR 240 Ca 0.01 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.97 3f4k h TYR 240 Cb 0.86 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 3f4k h TYR 240 CO 0.01 0.09 0.26 0.77 -1.64 0.00 0.00 178.16 177.66 3f4k h SER 241 N -0.70 0.00 0.11 -2.11 0.02 -1.53 -0.01 113.55 109.34 3f4k h SER 241 Ca -0.03 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.58 3f4k h SER 241 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3f4k h SER 241 CO 0.05 0.00 -1.83 0.50 -1.14 0.00 0.00 176.83 174.41 3f4k h LYS 242 N 0.00 0.24 -0.16 3.45 3.64 -1.38 -3.41 116.57 118.94 3f4k h LYS 242 Ca 0.15 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3f4k h LYS 242 Cb 0.67 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3f4k h LYS 242 CO -0.00 1.19 0.00 0.66 -2.27 0.00 0.00 179.45 179.03 3f4k n TYR 243 N -3.67 0.48 0.20 1.91 4.01 0.30 -4.78 117.16 115.62 3f4k n TYR 243 Ca -0.31 -0.85 0.18 0.00 -0.16 0.00 0.00 57.90 56.76 3f4k n TYR 243 Cb 0.99 -0.21 0.81 0.00 -0.31 0.00 0.00 39.34 40.62 3f4k n TYR 243 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3f4k h LYS 244 N 1.04 0.00 0.00 -0.72 2.10 -1.17 0.61 116.57 118.44 3f4k h LYS 244 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3f4k h LYS 244 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3f4k h LYS 244 CO 0.10 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.30 3f4k n ASP 245 N -3.49 0.02 -0.00 7.07 8.00 -1.26 -3.39 116.55 123.49 3f4k n ASP 245 Ca 0.03 0.50 0.08 0.00 0.71 0.00 0.00 54.79 56.12 3f4k n ASP 245 Cb 0.46 -0.51 -0.12 0.00 -0.02 0.00 0.00 41.12 40.93 3f4k n ASP 245 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3f4k n TYR 246 N -1.52 0.00 -3.82 1.24 4.01 0.20 -4.73 117.16 112.55 3f4k n TYR 246 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.72 3f4k n TYR 246 Cb 0.28 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 3f4k n TYR 246 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 3f4k s TYR 247 N -2.90 -0.13 -0.88 -0.72 -0.85 -1.21 -0.61 117.35 110.04 3f4k s TYR 247 Ca 0.01 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 3f4k s TYR 247 Cb 0.12 0.58 0.00 0.00 0.38 0.00 0.00 41.96 43.04 3f4k s TYR 247 CO 0.72 -1.12 0.00 0.41 -1.52 0.00 0.00 175.55 174.04 3f4k n GLY 248 N -0.42 -1.17 3.87 5.49 0.00 -1.00 -4.67 105.19 107.29 3f4k n GLY 248 Ca -0.06 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 3f4k n GLY 248 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f4k s TYR 249 N -3.00 3.49 -0.03 1.61 1.51 -1.26 -0.61 117.35 119.06 3f4k s TYR 249 Ca 0.00 0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 3f4k s TYR 249 Cb 0.00 -1.81 0.01 0.00 -0.11 0.00 0.00 41.96 40.04 3f4k s TYR 249 CO 0.00 0.63 -0.08 0.08 -1.11 0.00 0.00 175.55 175.07 3f4k s VAL 250 N -1.28 0.77 -0.13 0.71 1.01 0.10 -1.76 120.40 119.83 3f4k s VAL 250 Ca 0.25 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 3f4k s VAL 250 Cb -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3f4k s VAL 250 CO 0.17 0.25 0.42 0.12 0.00 0.00 0.00 175.10 176.06 3f4k s PHE 251 N 0.37 3.49 -0.14 5.22 5.99 -0.10 -0.04 117.98 132.78 3f4k s PHE 251 Ca -0.06 0.79 0.02 0.00 0.00 0.00 0.00 56.93 57.69 3f4k s PHE 251 Cb -0.10 -2.49 0.01 0.00 0.00 0.00 0.00 43.02 40.43 3f4k s PHE 251 CO 0.01 0.18 -0.21 0.71 -0.00 0.00 0.00 175.22 175.91 3f4k s TYR 252 N 0.62 2.68 -0.05 10.12 2.02 0.73 -1.75 117.35 131.72 3f4k s TYR 252 Ca 0.23 -1.23 0.06 0.00 -0.37 0.00 0.00 57.07 55.76 3f4k s TYR 252 Cb -0.14 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3f4k s TYR 252 CO 0.08 -0.55 -0.24 0.42 -1.57 0.00 0.00 175.55 173.70 3f4k s ILE 253 N 0.73 1.92 0.06 2.71 1.09 0.52 -1.50 121.20 126.73 3f4k s ILE 253 Ca -0.09 -1.00 -0.07 0.00 -1.10 0.00 0.00 60.65 58.39 3f4k s ILE 253 Cb -0.16 -1.63 -0.01 0.00 -1.06 0.00 0.00 42.46 39.61 3f4k s ILE 253 CO 0.00 0.54 0.13 -0.83 -0.10 0.00 0.00 174.94 174.69 3f4k s GLY 254 N -0.18 0.15 -0.19 6.18 0.00 -0.52 -1.69 107.32 111.07 3f4k s GLY 254 Ca -0.02 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.08 3f4k s GLY 254 CO 0.03 -0.77 -0.12 1.62 0.00 0.00 0.00 173.10 173.86 3f4k s GLN 255 N -3.24 3.24 0.17 2.90 0.74 -0.64 -1.22 119.66 121.60 3f4k s GLN 255 Ca 0.00 -0.71 -0.32 0.00 0.05 0.00 0.00 55.36 54.38 3f4k s GLN 255 Cb 0.02 -2.77 -0.12 0.00 1.10 0.00 0.00 33.01 31.24 3f4k s GLN 255 CO -0.08 -0.12 1.72 1.17 -0.55 0.00 0.00 175.29 177.44 3f4k n LYS 256 N 4.47 2.62 0.00 1.67 4.81 -0.25 -0.30 118.16 131.17 3f4k n LYS 256 Ca -0.19 0.95 0.09 0.00 -0.87 0.00 0.00 58.31 58.29 3f4k n LYS 256 Cb 0.51 -2.79 0.52 0.00 0.02 0.00 0.00 35.03 33.29 3f4k n LYS 256 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11