#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why s SER 75 N 0.00 0.21 -0.07 1.61 0.01 -1.26 -5.16 113.70 109.05 1why s SER 75 Ca 0.00 -0.66 -0.02 0.00 1.31 0.00 0.00 55.95 56.58 1why s SER 75 Cb 0.00 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.53 1why s SER 75 CO 0.00 -0.61 0.02 -0.55 0.41 0.00 0.00 173.24 172.51 1why s SER 76 N -2.56 1.55 -0.78 2.44 0.15 -1.26 -5.08 113.70 108.17 1why s SER 76 Ca 0.01 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.27 1why s SER 76 Cb 0.03 -0.36 -0.17 0.00 -1.71 0.00 0.00 66.02 63.81 1why s SER 76 CO -0.08 -0.22 2.56 0.61 1.20 0.00 0.00 173.24 177.31 1why n GLY 77 N 5.19 -0.20 0.18 9.45 0.00 -1.26 -4.78 105.19 113.77 1why n GLY 77 Ca -0.06 0.98 -0.15 0.00 0.00 0.00 0.00 46.02 46.80 1why n GLY 77 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1why h SER 78 N 14.33 0.67 -1.94 1.61 0.02 -2.07 -3.40 113.55 122.77 1why h SER 78 Ca -0.13 -0.57 -0.53 0.00 -0.84 0.00 0.00 61.79 59.73 1why h SER 78 Cb 1.30 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 63.57 1why h SER 78 CO 1.28 1.11 1.18 -0.55 -1.14 0.00 0.00 176.83 178.72 1why s SER 79 N -6.61 6.03 0.00 3.07 0.15 -1.26 -4.94 113.70 110.13 1why s SER 79 Ca -0.13 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1why s SER 79 Cb 0.07 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1why s SER 79 CO 0.83 -1.91 0.00 0.61 1.20 0.00 0.00 173.24 173.97 1why n GLY 80 N 5.83 7.48 3.84 9.45 0.00 -1.26 -5.13 105.19 125.39 1why n GLY 80 Ca 0.14 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 1why n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1why s LYS 81 N 0.82 3.91 -0.23 1.61 -0.14 -1.26 -5.08 119.74 119.37 1why s LYS 81 Ca 0.00 0.40 -0.04 0.00 -1.36 0.00 0.00 55.97 54.97 1why s LYS 81 Cb 0.00 -3.18 -0.01 0.00 -1.68 0.00 0.00 37.83 32.96 1why s LYS 81 CO 0.00 0.67 -0.02 0.42 -0.76 0.00 0.00 175.35 175.65 1why s ILE 82 N -1.14 3.47 -0.40 2.17 -1.09 -1.26 -4.97 121.20 117.99 1why s ILE 82 Ca 0.26 -0.52 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 1why s ILE 82 Cb -0.16 -2.62 0.31 0.00 -1.58 0.00 0.00 42.46 38.41 1why s ILE 82 CO 0.14 0.37 1.22 0.61 -1.23 0.00 0.00 174.94 176.05 1why n GLY 83 N 4.81 -0.54 3.09 6.18 0.00 -1.26 -5.15 105.19 112.32 1why n GLY 83 Ca -0.18 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 1why n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1why s TYR 84 N 0.21 -0.18 0.00 1.61 -0.85 -1.26 -5.05 117.35 111.83 1why s TYR 84 Ca 0.23 0.43 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 1why s TYR 84 Cb 0.28 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.67 1why s TYR 84 CO -0.14 -0.14 0.00 0.41 -1.52 0.00 0.00 175.55 174.16 1why n GLY 85 N 2.68 1.11 3.19 5.49 0.00 -1.26 -4.93 105.19 111.48 1why n GLY 85 Ca -0.14 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1why n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1why n LYS 86 N 0.00 -4.14 -4.34 1.61 5.02 -1.26 -4.97 118.16 110.07 1why n LYS 86 Ca 0.00 0.68 -0.26 0.00 -2.02 0.00 0.00 58.31 56.72 1why n LYS 86 Cb 0.00 -5.47 -0.12 0.00 -0.02 0.00 0.00 35.03 29.42 1why n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1why s ALA 87 N -3.05 2.12 0.29 7.82 0.00 -1.26 -5.15 121.76 122.54 1why s ALA 87 Ca 0.35 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 1why s ALA 87 Cb -0.17 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1why s ALA 87 CO 0.43 0.42 0.54 -0.80 0.00 0.00 0.00 175.76 176.36 1why s ASN 88 N -2.12 6.42 0.71 0.00 0.02 -1.26 -5.04 114.94 113.66 1why s ASN 88 Ca 0.12 0.66 -0.13 0.00 -1.02 0.00 0.00 52.86 52.48 1why s ASN 88 Cb -0.09 -2.12 0.02 0.00 0.02 0.00 0.00 41.25 39.08 1why s ASN 88 CO 0.06 -0.20 1.10 -2.16 0.02 0.00 0.00 177.10 175.92 1why s PRO 89 N -3.65 2.58 0.32 -0.60 0.04 -1.26 -4.70 135.00 127.73 1why s PRO 89 Ca 0.43 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1why s PRO 89 Cb -0.11 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1why s PRO 89 CO 0.31 -1.41 0.58 0.95 0.04 0.00 0.00 177.00 177.47 1why s THR 90 N -2.58 0.00 -1.54 1.26 -4.23 -1.26 -4.95 115.64 102.34 1why s THR 90 Ca 0.64 -1.32 0.23 0.00 -1.18 0.00 0.00 61.69 60.07 1why s THR 90 Cb -0.19 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 1why s THR 90 CO 0.47 0.00 1.17 0.35 -0.54 0.00 0.00 174.62 176.08 1why n THR 91 N -0.49 0.00 -3.87 3.99 -2.24 -1.26 -4.27 114.28 106.13 1why n THR 91 Ca -0.03 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.29 1why n THR 91 Cb 0.61 0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 69.59 1why n THR 91 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1why s ARG 92 N -2.71 1.91 0.21 -0.78 3.52 -1.26 -1.29 118.95 118.55 1why s ARG 92 Ca 0.16 -2.07 -0.23 0.00 -0.13 0.00 0.00 55.73 53.46 1why s ARG 92 Cb 0.18 -3.45 -0.08 0.00 -1.56 0.00 0.00 34.95 30.04 1why s ARG 92 CO 0.67 -1.05 0.77 -0.51 -0.81 0.00 0.00 175.30 174.37 1why s LEU 93 N 0.67 4.46 -0.26 -0.88 1.43 0.51 -3.46 118.68 121.15 1why s LEU 93 Ca 0.12 1.57 -0.08 0.00 -1.03 0.00 0.00 54.13 54.71 1why s LEU 93 Cb -0.22 -3.49 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1why s LEU 93 CO -0.05 0.11 0.10 0.86 0.23 0.00 0.00 176.35 177.60 1why s TRP 94 N -1.35 3.13 -0.26 0.29 -0.00 -1.03 -1.14 118.94 118.57 1why s TRP 94 Ca 0.40 -0.26 -0.06 0.00 -0.00 0.00 0.00 56.10 56.18 1why s TRP 94 Cb -0.20 -2.28 -0.01 0.00 -0.00 0.00 0.00 33.47 30.98 1why s TRP 94 CO 0.24 -0.29 0.05 0.08 -0.00 0.00 0.00 176.95 177.02 1why s VAL 95 N 1.64 3.96 0.48 5.86 1.01 -1.02 -2.80 120.40 129.52 1why s VAL 95 Ca 0.06 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1why s VAL 95 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1why s VAL 95 CO 0.06 0.27 0.03 -0.83 0.00 0.00 0.00 175.10 174.63 1why s GLY 96 N 1.54 2.88 -0.10 4.51 0.00 -1.07 -2.40 107.32 112.69 1why s GLY 96 Ca 0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 1why s GLY 96 CO 0.02 -2.10 0.09 0.61 0.00 0.00 0.00 173.10 171.71 1why n GLY 97 N -1.15 0.44 3.83 0.20 0.00 -1.25 -3.70 105.19 103.56 1why n GLY 97 Ca -0.15 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1why n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1why s LEU 98 N -2.24 3.93 0.00 0.99 1.43 -1.26 -4.93 118.68 116.60 1why s LEU 98 Ca 0.01 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1why s LEU 98 Cb -0.00 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1why s LEU 98 CO 0.06 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1why n GLY 99 N -0.45 4.81 0.26 -3.19 0.00 -1.26 -4.95 105.19 100.40 1why n GLY 99 Ca -0.08 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.40 1why n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 100 N 0.00 0.00 0.08 1.61 0.13 -2.00 -3.18 132.00 128.64 1why h PRO 100 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 1why h PRO 100 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1why h PRO 100 CO 0.00 0.10 -1.37 -0.97 -0.23 0.00 0.00 178.00 175.52 1why h ASN 101 N 0.00 0.27 -1.52 1.44 -0.73 -2.03 -3.45 115.58 109.56 1why h ASN 101 Ca -0.00 -0.79 -0.61 0.00 1.87 0.00 0.00 56.30 56.77 1why h ASN 101 Cb 0.56 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 1why h ASN 101 CO 0.01 1.59 1.49 0.41 -0.37 0.00 0.00 177.43 180.56 1why n THR 102 N -4.02 0.23 -3.51 -3.57 -1.04 -1.20 -4.93 114.28 96.23 1why n THR 102 Ca -0.27 -0.40 -0.37 0.00 -2.04 0.00 0.00 64.05 60.97 1why n THR 102 Cb 0.84 -2.16 -0.08 0.00 -1.82 0.00 0.00 70.33 67.11 1why n THR 102 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1why s SER 103 N 8.34 6.33 0.26 8.00 0.01 -1.26 -4.64 113.70 130.74 1why s SER 103 Ca 1.05 0.38 -0.10 0.00 1.31 0.00 0.00 55.95 58.59 1why s SER 103 Cb -0.56 -2.18 0.38 0.00 0.21 0.00 0.00 66.02 63.87 1why s SER 103 CO 0.40 0.00 1.58 0.25 0.41 0.00 0.00 173.24 175.89 1why h LEU 104 N 7.40 -0.87 -0.91 2.44 5.85 -1.97 0.46 115.31 127.71 1why h LEU 104 Ca -0.38 0.27 0.26 0.00 0.84 0.00 0.00 57.88 58.87 1why h LEU 104 Cb 1.16 0.56 -0.15 0.00 0.37 0.00 0.00 40.66 42.61 1why h LEU 104 CO 0.71 -0.29 0.25 0.00 -0.34 0.00 0.00 178.44 178.76 1why h ALA 105 N 1.84 1.36 -0.02 1.25 0.00 -1.98 -0.42 119.26 121.28 1why h ALA 105 Ca 0.42 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1why h ALA 105 Cb 0.64 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1why h ALA 105 CO -0.91 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 177.82 1why n ALA 106 N -2.71 -0.31 0.09 0.00 0.00 0.16 -0.91 120.51 116.83 1why n ALA 106 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 1why n ALA 106 Cb 0.75 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 20.30 1why n ALA 106 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1why h LEU 107 N 0.00 -1.41 -0.94 0.00 3.38 -1.41 -2.00 115.31 112.93 1why h LEU 107 Ca 0.00 0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.28 1why h LEU 107 Cb 0.00 0.52 -0.16 0.00 0.09 0.00 0.00 40.66 41.11 1why h LEU 107 CO 0.00 -0.49 -0.32 0.00 0.09 0.00 0.00 178.44 177.73 1why n ALA 108 N -2.88 0.01 -0.07 1.53 0.00 -0.23 0.21 120.51 119.09 1why n ALA 108 Ca -0.07 0.97 0.09 0.00 0.00 0.00 0.00 53.44 54.42 1why n ALA 108 Cb 0.36 -0.49 0.45 0.00 0.00 0.00 0.00 19.45 19.77 1why n ALA 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1why h ARG 109 N 0.00 0.50 0.19 0.00 9.65 -0.42 0.10 114.38 124.40 1why h ARG 109 Ca 0.37 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.21 1why h ARG 109 Cb 0.61 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1why h ARG 109 CO -0.94 0.33 -0.09 0.93 2.80 0.00 0.00 179.97 182.99 1why h GLU 110 N 0.51 -0.25 -0.87 0.20 4.39 0.33 -3.23 114.58 115.66 1why h GLU 110 Ca 0.24 0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.10 1why h GLU 110 Cb 0.30 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.92 1why h GLU 110 CO -0.07 -0.04 0.47 0.74 -1.16 0.00 0.00 179.01 178.95 1why h PHE 111 N -1.03 0.82 -0.42 4.33 -1.00 -0.31 -1.74 116.94 117.58 1why h PHE 111 Ca -0.03 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.87 1why h PHE 111 Cb 0.33 -0.24 -0.09 0.00 3.61 0.00 0.00 35.95 39.56 1why h PHE 111 CO 0.03 0.23 -0.19 0.22 -1.61 0.00 0.00 178.31 176.99 1why h ASP 112 N 0.68 -0.65 -0.27 2.17 1.82 -0.90 -2.76 116.42 116.52 1why h ASP 112 Ca 0.46 0.16 0.02 0.00 -0.39 0.00 0.00 57.03 57.28 1why h ASP 112 Cb 0.62 0.36 -0.03 0.00 0.68 0.00 0.00 39.33 40.95 1why h ASP 112 CO -0.34 -0.22 -0.16 0.54 -1.61 0.00 0.00 179.24 177.45 1why n ARG 113 N -5.38 -0.12 -0.37 0.28 1.74 -0.66 -0.45 116.66 111.72 1why n ARG 113 Ca 0.03 0.97 -0.05 0.00 -0.77 0.00 0.00 57.85 58.02 1why n ARG 113 Cb 0.29 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1why h PHE 114 N 0.00 -1.38 -3.18 -1.55 0.04 -1.59 -3.44 116.94 105.85 1why h PHE 114 Ca 0.04 0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1why h PHE 114 Cb 0.11 0.73 -0.11 0.00 2.20 0.00 0.00 35.95 38.88 1why h PHE 114 CO -0.81 -0.40 0.10 0.20 -0.60 0.00 0.00 178.31 176.81 1why s GLY 115 N -3.10 -0.31 -0.04 -1.45 0.00 0.41 -4.96 107.32 97.87 1why s GLY 115 Ca -0.13 0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.34 1why s GLY 115 CO 0.68 -0.10 1.89 -0.56 0.00 0.00 0.00 173.10 175.00 1why s SER 116 N -2.82 6.39 -0.00 1.64 0.01 -1.25 -4.17 113.70 113.50 1why s SER 116 Ca 0.06 2.39 -0.30 0.00 1.31 0.00 0.00 55.95 59.40 1why s SER 116 Cb -0.01 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1why s SER 116 CO -0.07 -1.14 1.00 -0.63 0.41 0.00 0.00 173.24 172.82 1why s ILE 117 N 4.84 4.79 -0.02 1.44 1.01 -1.26 -1.36 121.20 130.64 1why s ILE 117 Ca 0.84 2.01 -0.22 0.00 0.00 0.00 0.00 60.65 63.28 1why s ILE 117 Cb -0.38 -4.29 -0.15 0.00 0.01 0.00 0.00 42.46 37.66 1why s ILE 117 CO 0.37 0.14 1.01 -0.09 0.00 0.00 0.00 174.94 176.37 1why h ARG 118 N 6.82 -0.38 -2.56 2.79 2.43 -0.90 -3.47 114.38 119.12 1why h ARG 118 Ca -0.40 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.86 1why h ARG 118 Cb 1.21 0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 30.72 1why h ARG 118 CO 0.76 -0.04 0.38 -0.08 -1.51 0.00 0.00 179.97 179.49 1why s THR 119 N -4.02 0.00 0.03 0.20 -1.32 -1.26 -5.02 115.64 104.26 1why s THR 119 Ca -0.13 -0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 1why s THR 119 Cb 0.01 -1.09 -0.02 0.00 -1.51 0.00 0.00 72.50 69.89 1why s THR 119 CO 0.47 0.00 -0.07 -0.63 -2.21 0.00 0.00 174.62 172.18 1why s ILE 120 N -3.38 0.51 0.10 5.08 1.01 -1.26 -2.47 121.20 120.80 1why s ILE 120 Ca 0.04 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 1why s ILE 120 Cb -0.01 -0.56 -0.07 0.00 0.01 0.00 0.00 42.46 41.83 1why s ILE 120 CO -0.09 -0.30 0.69 -1.81 0.00 0.00 0.00 174.94 173.43 1why s ASP 121 N -1.35 7.23 -0.27 3.58 1.01 -1.13 -4.97 116.67 120.77 1why s ASP 121 Ca -0.08 1.45 -0.05 0.00 0.71 0.00 0.00 52.55 54.58 1why s ASP 121 Cb -0.09 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.41 1why s ASP 121 CO 0.00 0.20 0.03 -2.28 0.21 0.00 0.00 175.17 173.32 1why s HIS 122 N -0.90 3.09 -0.29 4.23 2.46 -1.26 -4.57 115.29 118.05 1why s HIS 122 Ca 0.34 -1.08 -0.16 0.00 0.47 0.00 0.00 55.06 54.63 1why s HIS 122 Cb -0.21 -2.18 0.16 0.00 -0.13 0.00 0.00 32.58 30.22 1why s HIS 122 CO 0.23 -0.60 1.02 0.54 -2.47 0.00 0.00 174.74 173.47 1why s VAL 123 N 1.46 -0.18 -0.18 0.89 0.11 -1.26 -5.08 120.40 116.17 1why s VAL 123 Ca 0.03 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.92 1why s VAL 123 Cb -0.16 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.57 1why s VAL 123 CO -0.00 0.00 0.01 1.17 -3.33 0.00 0.00 175.10 172.95 1why n LYS 124 N 4.12 0.51 -0.06 1.54 4.81 -1.26 -4.12 118.16 123.71 1why n LYS 124 Ca -0.15 0.55 -0.13 0.00 -0.87 0.00 0.00 58.31 57.71 1why n LYS 124 Cb 0.56 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.80 1why n LYS 124 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1why h GLY 125 N -1.00 -1.15 -0.86 3.14 0.00 -1.98 0.28 103.07 101.51 1why h GLY 125 Ca -0.19 0.71 0.39 0.00 0.00 0.00 0.00 47.33 48.23 1why h GLY 125 CO -0.12 -0.23 0.68 -0.55 0.00 0.00 0.00 176.54 176.32 1why h ASP 126 N -0.44 0.36 -1.73 0.19 5.19 -2.00 -3.44 116.42 114.55 1why h ASP 126 Ca 0.04 0.18 -0.20 0.00 -0.62 0.00 0.00 57.03 56.43 1why h ASP 126 Cb 0.56 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.24 1why h ASP 126 CO -0.44 -0.22 -0.27 -1.20 -3.12 0.00 0.00 179.24 173.99 1why n SER 127 N -4.95 -3.52 -3.58 6.45 7.64 0.09 -5.01 113.62 110.74 1why n SER 127 Ca 0.35 -0.05 -0.15 0.00 1.01 0.00 0.00 58.87 60.04 1why n SER 127 Cb 1.23 -2.67 -0.06 0.00 -1.01 0.00 0.00 64.21 61.69 1why n SER 127 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1why s PHE 128 N -2.60 -0.65 0.27 1.43 -0.12 -1.26 -3.95 117.98 111.09 1why s PHE 128 Ca 0.04 1.37 0.02 0.00 -0.05 0.00 0.00 56.93 58.31 1why s PHE 128 Cb -0.02 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 1why s PHE 128 CO 0.05 -0.45 0.13 0.00 -0.05 0.00 0.00 175.22 174.90 1why s ALA 129 N -0.42 1.77 -0.09 1.99 0.00 -1.01 -4.73 121.76 119.28 1why s ALA 129 Ca -0.04 -1.79 -0.01 0.00 0.00 0.00 0.00 51.96 50.12 1why s ALA 129 Cb -0.03 1.14 0.03 0.00 0.00 0.00 0.00 23.12 24.26 1why s ALA 129 CO 0.04 -0.50 -0.04 0.71 0.00 0.00 0.00 175.76 175.97 1why s TYR 130 N -3.73 1.01 -0.10 0.00 1.51 -1.26 -2.44 117.35 112.33 1why s TYR 130 Ca 0.37 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.99 1why s TYR 130 Cb 0.06 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1why s TYR 130 CO 0.15 -0.39 0.02 0.42 -1.11 0.00 0.00 175.55 174.64 1why s ILE 131 N 1.76 4.43 0.10 2.71 1.01 -0.29 -2.85 121.20 128.07 1why s ILE 131 Ca 0.03 -0.19 0.10 0.00 0.00 0.00 0.00 60.65 60.59 1why s ILE 131 Cb -0.13 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1why s ILE 131 CO -0.06 0.58 -0.24 -1.58 0.00 0.00 0.00 174.94 173.64 1why s GLN 132 N -0.67 1.62 0.13 2.79 0.74 -1.03 -0.36 119.66 122.87 1why s GLN 132 Ca 0.11 -1.23 0.09 0.00 0.05 0.00 0.00 55.36 54.38 1why s GLN 132 Cb -0.12 -1.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.97 1why s GLN 132 CO 0.02 0.48 -0.18 0.71 -0.55 0.00 0.00 175.29 175.77 1why s TYR 133 N -1.01 2.51 0.13 1.67 2.02 -0.41 -0.24 117.35 122.03 1why s TYR 133 Ca 0.14 -0.28 0.30 0.00 -0.37 0.00 0.00 57.07 56.87 1why s TYR 133 Cb -0.10 -1.32 1.24 0.00 -0.40 0.00 0.00 41.96 41.39 1why s TYR 133 CO 0.06 0.41 1.94 0.93 -1.57 0.00 0.00 175.55 177.32 1why h GLU 134 N 3.61 0.00 -4.71 -0.62 5.08 -1.56 -3.43 114.58 112.95 1why h GLU 134 Ca -0.49 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.42 1why h GLU 134 Cb 1.18 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.12 1why h GLU 134 CO 0.46 0.08 -0.79 -1.54 -1.00 0.00 0.00 179.01 176.21 1why s SER 135 N -5.87 1.36 0.11 1.42 1.04 -1.26 -5.05 113.70 105.44 1why s SER 135 Ca 0.01 -0.21 -0.25 0.00 0.48 0.00 0.00 55.95 55.97 1why s SER 135 Cb 0.10 -0.36 -0.09 0.00 0.10 0.00 0.00 66.02 65.77 1why s SER 135 CO 0.57 0.08 1.67 0.25 0.98 0.00 0.00 173.24 176.80 1why h LEU 136 N 6.35 -0.47 -1.01 2.42 6.46 -1.92 -2.02 115.31 125.12 1why h LEU 136 Ca -0.33 0.06 0.19 0.00 -0.12 0.00 0.00 57.88 57.68 1why h LEU 136 Cb 1.17 0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 41.17 1why h LEU 136 CO 0.49 -0.24 0.61 0.44 -0.62 0.00 0.00 178.44 179.12 1why h ASP 137 N -0.32 0.79 -0.80 1.25 3.32 -1.97 0.97 116.42 119.66 1why h ASP 137 Ca 0.03 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1why h ASP 137 Cb 0.34 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1why h ASP 137 CO -0.10 0.28 0.34 0.00 -1.72 0.00 0.00 179.24 178.04 1why h ALA 138 N 1.64 1.07 -0.22 3.45 0.00 -1.76 -2.39 119.26 121.06 1why h ALA 138 Ca 0.58 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1why h ALA 138 Cb 0.90 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1why h ALA 138 CO -0.38 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1why h ALA 139 N 1.20 0.29 -0.62 0.00 0.00 -0.24 -2.89 119.26 117.00 1why h ALA 139 Ca 0.27 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1why h ALA 139 Cb 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1why h ALA 139 CO -0.03 0.01 0.41 1.96 0.00 0.00 0.00 179.25 181.60 1why h GLN 140 N 0.15 0.54 0.92 0.00 4.20 -1.09 0.06 115.11 119.90 1why h GLN 140 Ca 0.06 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1why h GLN 140 Cb 0.39 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1why h GLN 140 CO 0.01 0.36 -0.44 0.00 -0.67 0.00 0.00 178.83 178.08 1why h ALA 141 N 1.67 -1.24 -0.33 3.87 0.00 -1.23 -2.86 119.26 119.15 1why h ALA 141 Ca 0.27 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1why h ALA 141 Cb 0.35 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1why h ALA 141 CO -0.08 -1.17 0.21 0.00 0.00 0.00 0.00 179.25 178.21 1why h ALA 142 N -1.26 0.42 -1.34 0.00 0.00 -1.36 -1.71 119.26 114.00 1why h ALA 142 Ca -0.13 -0.03 0.39 0.00 0.00 0.00 0.00 54.91 55.14 1why h ALA 142 Cb 0.95 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1why h ALA 142 CO 0.21 -0.11 0.96 0.00 0.00 0.00 0.00 179.25 180.31 1why h ALA 144 N 1.34 0.00 -0.11 0.00 0.00 -1.13 -3.28 119.26 116.08 1why h ALA 144 Ca 0.64 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1why h ALA 144 Cb 2.55 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 20.45 1why h ALA 144 CO -0.02 0.17 -0.54 0.87 0.00 0.00 0.00 179.25 179.73 1why h LYS 145 N -0.44 -0.58 -0.80 0.00 6.56 -0.95 -1.38 116.57 118.99 1why h LYS 145 Ca 0.00 0.04 0.19 0.00 -1.06 0.00 0.00 60.65 59.82 1why h LYS 145 Cb 0.17 0.13 -0.14 0.00 -0.57 0.00 0.00 32.23 31.82 1why h LYS 145 CO 0.00 -0.39 0.02 0.52 -2.06 0.00 0.00 179.45 177.54 1why h MET 146 N -0.60 0.10 -5.25 3.15 2.86 -0.66 -3.42 114.93 111.11 1why h MET 146 Ca 0.03 -0.01 -0.76 0.00 -2.06 0.00 0.00 59.70 56.91 1why h MET 146 Cb 0.69 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1why h MET 146 CO -0.42 0.06 0.69 -2.13 1.06 0.00 0.00 176.91 176.17 1why n ARG 147 N -5.36 0.00 -2.99 1.72 0.63 -0.52 -0.20 116.66 109.94 1why n ARG 147 Ca 0.15 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.96 1why n ARG 147 Cb 0.52 -1.31 0.06 0.00 0.45 0.00 0.00 32.46 32.17 1why n ARG 147 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1why n GLY 148 N 3.97 -0.06 3.76 5.14 0.00 -0.58 -4.99 105.19 112.42 1why n GLY 148 Ca 0.30 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1why n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1why s PHE 149 N -3.23 3.75 -2.00 1.61 5.36 0.72 -4.74 117.98 119.46 1why s PHE 149 Ca 0.09 1.80 0.08 0.00 -0.96 0.00 0.00 56.93 57.94 1why s PHE 149 Cb -0.04 -3.12 0.45 0.00 -0.34 0.00 0.00 43.02 39.97 1why s PHE 149 CO 0.47 -0.05 0.90 -0.35 -1.46 0.00 0.00 175.22 174.73 1why n PRO 150 N 1.21 0.49 -0.92 10.12 -0.04 -1.26 -2.62 135.00 141.98 1why n PRO 150 Ca -0.01 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.16 1why n PRO 150 Cb 0.46 -1.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.69 1why n PRO 150 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1why n LEU 151 N -0.74 -2.60 0.00 1.53 7.94 -1.26 -3.24 117.00 118.63 1why n LEU 151 Ca 0.06 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1why n LEU 151 Cb 0.03 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.35 1why n LEU 151 CO 0.04 -3.44 0.00 0.61 -1.11 0.00 0.00 177.39 173.49 1why n GLY 152 N 1.81 0.82 3.47 -3.96 0.00 -1.26 -4.60 105.19 101.47 1why n GLY 152 Ca 0.06 0.48 -0.25 0.00 0.00 0.00 0.00 46.02 46.32 1why n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1why s GLY 153 N 0.00 2.62 0.10 -0.02 0.00 -1.20 -5.03 107.32 103.80 1why s GLY 153 Ca 0.00 -1.37 0.18 0.00 0.00 0.00 0.00 44.72 43.53 1why s GLY 153 CO 0.00 -1.75 1.55 -1.55 0.00 0.00 0.00 173.10 171.36 1why n PRO 154 N -0.88 0.07 -0.13 2.90 -0.04 -1.26 -3.31 135.00 132.36 1why n PRO 154 Ca -0.03 0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.48 1why n PRO 154 Cb 0.64 -1.64 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 1why n PRO 154 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1why n ASP 155 N -1.78 1.95 -4.66 3.54 2.03 -1.26 -4.91 116.55 111.46 1why n ASP 155 Ca 0.03 0.31 -0.42 0.00 0.52 0.00 0.00 54.79 55.23 1why n ASP 155 Cb 0.19 -0.81 -0.03 0.00 -0.72 0.00 0.00 41.12 39.75 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1why s ARG 156 N -2.49 4.19 -0.06 -0.67 0.52 -1.21 -5.00 118.95 114.23 1why s ARG 156 Ca -0.37 2.05 0.04 0.00 -0.52 0.00 0.00 55.73 56.94 1why s ARG 156 Cb 0.13 -3.93 -0.00 0.00 0.52 0.00 0.00 34.95 31.66 1why s ARG 156 CO 0.52 -0.82 -0.20 1.03 0.02 0.00 0.00 175.30 175.85 1why s ARG 157 N 3.91 2.29 0.57 3.54 1.81 -1.26 -4.19 118.95 125.61 1why s ARG 157 Ca 0.69 -0.72 -0.19 0.00 -1.72 0.00 0.00 55.73 53.78 1why s ARG 157 Cb -0.30 -1.88 -0.05 0.00 -0.45 0.00 0.00 34.95 32.28 1why s ARG 157 CO 0.26 0.23 1.18 -0.51 -0.68 0.00 0.00 175.30 175.78 1why s LEU 158 N 0.16 3.72 -0.30 2.53 1.43 -1.08 -4.81 118.68 120.33 1why s LEU 158 Ca -0.09 2.31 0.03 0.00 -1.03 0.00 0.00 54.13 55.34 1why s LEU 158 Cb -0.14 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.59 1why s LEU 158 CO 0.05 -1.42 -0.01 -0.13 0.23 0.00 0.00 176.35 175.07 1why s ARG 159 N -3.28 1.64 -0.11 1.70 3.00 -1.24 -1.53 118.95 119.13 1why s ARG 159 Ca 0.75 -1.49 -0.01 0.00 0.00 0.00 0.00 55.73 54.98 1why s ARG 159 Cb -0.28 -2.89 -0.03 0.00 0.00 0.00 0.00 34.95 31.76 1why s ARG 159 CO 0.31 -0.78 -0.07 0.08 0.00 0.00 0.00 175.30 174.83 1why s VAL 160 N 1.12 3.63 0.03 3.52 1.01 -1.26 -2.58 120.40 125.86 1why s VAL 160 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1why s VAL 160 Cb -0.19 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1why s VAL 160 CO -0.09 0.55 -0.04 -1.81 0.00 0.00 0.00 175.10 173.71 1why s ASP 161 N -0.21 0.38 0.07 3.32 1.01 -1.12 -4.86 116.67 115.26 1why s ASP 161 Ca 0.03 -0.52 -0.31 0.00 0.71 0.00 0.00 52.55 52.45 1why s ASP 161 Cb -0.13 0.09 -0.06 0.00 1.01 0.00 0.00 42.92 43.83 1why s ASP 161 CO 0.03 -0.29 1.22 -0.36 0.21 0.00 0.00 175.17 175.98 1why s PHE 162 N -1.51 3.42 -0.44 4.23 0.08 -1.26 -2.48 117.98 120.01 1why s PHE 162 Ca -0.14 1.26 -0.08 0.00 0.12 0.00 0.00 56.93 58.10 1why s PHE 162 Cb -0.10 -3.45 0.11 0.00 -0.57 0.00 0.00 43.02 39.01 1why s PHE 162 CO -0.01 -1.41 0.29 0.00 -0.10 0.00 0.00 175.22 173.99 1why s ALA 163 N 1.02 3.31 -0.16 5.36 0.00 -1.23 -4.91 121.76 125.15 1why s ALA 163 Ca 0.59 -2.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.01 1why s ALA 163 Cb -0.30 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1why s ALA 163 CO 0.30 -1.83 0.10 0.21 0.00 0.00 0.00 175.76 174.54 1why s LYS 164 N 1.32 3.83 -0.01 0.00 2.20 -1.26 -4.73 119.74 121.09 1why s LYS 164 Ca 0.06 -0.25 -0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1why s LYS 164 Cb -0.25 -3.25 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1why s LYS 164 CO -0.01 0.45 -0.01 0.45 -0.36 0.00 0.00 175.35 175.87 1why n SER 165 N 3.00 1.79 0.00 1.43 2.88 -1.26 -5.16 113.62 116.30 1why n SER 165 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1why n SER 165 Cb 0.53 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1why n SER 165 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1why n GLY 166 N 3.19 -1.17 3.77 0.46 0.00 -1.26 -5.00 105.19 105.18 1why n GLY 166 Ca -0.01 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1why n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1why s PRO 167 N -4.75 2.99 -0.43 1.61 0.04 -1.26 -4.88 135.00 128.32 1why s PRO 167 Ca 0.00 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 1why s PRO 167 Cb 0.00 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1why s PRO 167 CO 0.00 -1.11 2.36 0.43 0.04 0.00 0.00 177.00 178.72 1why n SER 168 N -2.04 2.40 0.40 6.66 7.64 -1.26 -4.84 113.62 122.59 1why n SER 168 Ca 0.11 -0.14 -0.18 0.00 1.01 0.00 0.00 58.87 59.66 1why n SER 168 Cb 0.52 -1.49 -0.09 0.00 -1.01 0.00 0.00 64.21 62.14 1why n SER 168 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1why h SER 169 N 16.87 -0.86 0.00 6.43 0.02 -2.00 -3.57 113.55 130.44 1why h SER 169 Ca -0.28 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1why h SER 169 Cb 1.27 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1why h SER 169 CO 1.10 -0.58 0.00 0.61 -1.14 0.00 0.00 176.83 176.83