#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 -0.27 -0.07 1.61 1.04 -1.26 -5.17 113.70 109.58 1why s SER 75 Ca 0.00 0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 1why s SER 75 Cb 0.00 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.40 1why s SER 75 CO 0.00 -0.29 0.14 -0.55 0.98 0.00 0.00 173.24 173.52 1why s SER 76 N -1.37 0.45 0.00 7.02 0.15 -1.26 -5.07 113.70 113.62 1why s SER 76 Ca 0.03 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1why s SER 76 Cb -0.01 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1why s SER 76 CO -0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1why n GLY 77 N 4.88 0.31 2.94 9.45 0.00 -1.26 -4.99 105.19 116.52 1why n GLY 77 Ca -0.13 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 1why n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1why s SER 78 N -4.00 1.02 -0.18 1.61 1.04 -1.26 -5.05 113.70 106.88 1why s SER 78 Ca 0.00 -0.15 -0.20 0.00 0.48 0.00 0.00 55.95 56.08 1why s SER 78 Cb 0.00 -0.40 -0.21 0.00 0.10 0.00 0.00 66.02 65.51 1why s SER 78 CO 0.00 -0.00 0.30 -1.28 0.98 0.00 0.00 173.24 173.24 1why h SER 79 N 6.80 0.08 -1.99 7.02 0.87 -2.02 -3.39 113.55 120.93 1why h SER 79 Ca -0.35 -0.63 -0.77 0.00 -1.23 0.00 0.00 61.79 58.81 1why h SER 79 Cb 1.16 -0.03 -0.25 0.00 -0.44 0.00 0.00 62.40 62.84 1why h SER 79 CO 0.48 1.51 1.10 0.61 -0.53 0.00 0.00 176.83 180.00 1why n GLY 80 N 1.54 5.69 0.24 5.77 0.00 -1.26 -4.75 105.19 112.42 1why n GLY 80 Ca -0.30 -2.45 0.02 0.00 0.00 0.00 0.00 46.02 43.28 1why n GLY 80 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1why h LYS 81 N 3.63 0.36 -6.31 1.61 3.64 -2.01 -3.40 116.57 114.09 1why h LYS 81 Ca 0.55 -0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 59.37 1why h LYS 81 Cb 0.22 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1why h LYS 81 CO 1.29 0.24 0.18 -1.50 -2.27 0.00 0.00 179.45 177.39 1why s ILE 82 N -6.08 4.73 0.00 2.00 1.10 -1.26 -4.92 121.20 116.78 1why s ILE 82 Ca -0.13 1.67 0.00 0.00 -0.51 0.00 0.00 60.65 61.68 1why s ILE 82 Cb 0.18 -4.13 0.00 0.00 0.15 0.00 0.00 42.46 38.66 1why s ILE 82 CO 0.75 0.35 0.00 0.61 -2.11 0.00 0.00 174.94 174.53 1why n GLY 83 N 2.44 -0.34 3.36 1.50 0.00 -1.26 -5.17 105.19 105.72 1why n GLY 83 Ca -0.02 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.44 0.00 1.61 1.13 -1.26 -5.14 117.35 114.12 1why s TYR 84 Ca 0.00 -0.79 0.00 0.00 -1.41 0.00 0.00 57.07 54.87 1why s TYR 84 Cb 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.81 1why s TYR 84 CO 0.00 -0.75 0.00 0.41 -2.51 0.00 0.00 175.55 172.70 1why n GLY 85 N -0.24 0.34 2.91 5.49 0.00 -1.26 -5.06 105.19 107.37 1why n GLY 85 Ca -0.06 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 1why n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1why s LYS 86 N -2.90 0.24 0.20 1.61 0.00 -1.26 -5.16 119.74 112.47 1why s LYS 86 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 55.97 55.93 1why s LYS 86 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 37.83 37.54 1why s LYS 86 CO 0.00 0.04 0.25 0.00 0.00 0.00 0.00 175.35 175.65 1why s ALA 87 N 0.04 3.79 0.53 0.59 0.00 -1.26 -5.09 121.76 120.37 1why s ALA 87 Ca -0.00 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 50.55 1why s ALA 87 Cb -0.02 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 1why s ALA 87 CO -0.00 0.39 1.21 -0.80 0.00 0.00 0.00 175.76 176.57 1why s ASN 88 N -3.52 5.60 0.01 0.00 -0.87 -1.26 -4.92 114.94 109.97 1why s ASN 88 Ca 0.33 2.41 -0.30 0.00 -1.57 0.00 0.00 52.86 53.73 1why s ASN 88 Cb -0.10 -2.61 -0.06 0.00 -0.02 0.00 0.00 41.25 38.47 1why s ASN 88 CO 0.27 -1.32 1.45 -2.16 -2.57 0.00 0.00 177.10 172.77 1why s PRO 89 N -3.03 4.27 -0.06 -0.60 0.04 -1.26 -4.54 135.00 129.82 1why s PRO 89 Ca 0.71 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.66 1why s PRO 89 Cb -0.31 -3.59 0.02 0.00 0.04 0.00 0.00 34.50 30.66 1why s PRO 89 CO 0.36 -0.61 0.27 -0.08 0.04 0.00 0.00 177.00 176.98 1why s THR 90 N 2.50 0.03 0.41 1.26 -1.32 -1.26 -5.03 115.64 112.23 1why s THR 90 Ca 0.66 -0.29 0.23 0.00 -1.21 0.00 0.00 61.69 61.07 1why s THR 90 Cb -0.33 -0.48 0.42 0.00 -1.51 0.00 0.00 72.50 70.60 1why s THR 90 CO 0.27 -0.16 1.70 0.71 -2.21 0.00 0.00 174.62 174.94 1why h THR 91 N 4.32 0.35 -4.03 5.08 1.35 -1.88 -3.40 112.91 114.70 1why h THR 91 Ca -0.28 -0.09 -0.50 0.00 -0.55 0.00 0.00 66.41 64.99 1why h THR 91 Cb 1.19 0.06 0.06 0.00 -1.73 0.00 0.00 68.15 67.72 1why h THR 91 CO 0.37 0.05 0.45 -0.60 -0.25 0.00 0.00 175.52 175.53 1why s ARG 92 N -5.43 3.68 -0.01 4.72 3.52 -1.26 -2.89 118.95 121.28 1why s ARG 92 Ca -0.08 1.66 -0.00 0.00 -0.13 0.00 0.00 55.73 57.17 1why s ARG 92 Cb 0.27 -2.27 0.02 0.00 -1.56 0.00 0.00 34.95 31.41 1why s ARG 92 CO 0.81 -0.59 0.02 -0.51 -0.81 0.00 0.00 175.30 174.22 1why s LEU 93 N -3.27 1.53 -0.52 -0.88 1.43 0.93 -3.52 118.68 114.38 1why s LEU 93 Ca 0.66 0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.59 1why s LEU 93 Cb -0.25 -0.02 0.06 0.00 0.03 0.00 0.00 46.19 46.00 1why s LEU 93 CO 0.30 -0.06 0.68 0.86 0.23 0.00 0.00 176.35 178.36 1why s TRP 94 N 0.53 3.00 -0.25 0.29 -0.00 -0.63 -1.28 118.94 120.60 1why s TRP 94 Ca -0.04 -0.46 -0.07 0.00 -0.00 0.00 0.00 56.10 55.52 1why s TRP 94 Cb -0.06 -3.64 -0.03 0.00 -0.00 0.00 0.00 33.47 29.73 1why s TRP 94 CO -0.02 -1.10 0.08 0.08 -0.00 0.00 0.00 176.95 176.00 1why s VAL 95 N 2.86 4.34 0.00 5.86 1.01 -0.30 -1.95 120.40 132.22 1why s VAL 95 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1why s VAL 95 Cb -0.18 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1why s VAL 95 CO 0.13 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1why n GLY 96 N 4.93 4.88 2.92 4.51 0.00 -0.69 -0.71 105.19 121.04 1why n GLY 96 Ca -0.16 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.62 1why n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 97 N 4.22 -0.14 3.50 -0.02 0.00 -1.26 -3.59 105.19 107.91 1why n GLY 97 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.42 4.73 0.00 0.99 1.43 -1.26 -4.84 118.68 114.31 1why s LEU 98 Ca 0.26 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 1why s LEU 98 Cb -0.12 -2.35 0.17 0.00 0.03 0.00 0.00 46.19 43.92 1why s LEU 98 CO 0.53 -0.48 0.99 0.61 0.23 0.00 0.00 176.35 178.23 1why n GLY 99 N 5.06 -1.34 0.09 -3.19 0.00 -1.26 -4.94 105.19 99.60 1why n GLY 99 Ca -0.08 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.33 1why n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 100 N -3.09 0.13 -0.11 1.61 -0.04 -1.26 -3.33 135.00 128.90 1why n PRO 100 Ca 0.13 0.37 -0.22 0.00 -0.04 0.00 0.00 63.50 63.73 1why n PRO 100 Cb 0.43 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.04 1why n PRO 100 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1why n ASN 101 N -2.00 1.88 -4.47 3.54 4.13 -1.26 -4.86 115.26 112.22 1why n ASN 101 Ca 0.02 0.41 -0.45 0.00 1.68 0.00 0.00 54.58 56.25 1why n ASN 101 Cb 0.21 -0.91 -0.09 0.00 -1.54 0.00 0.00 39.78 37.44 1why n ASN 101 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1why n THR 102 N -4.40 0.04 -2.76 3.41 -1.04 -1.21 -4.91 114.28 103.41 1why n THR 102 Ca -0.36 -0.29 -0.26 0.00 -2.04 0.00 0.00 64.05 61.09 1why n THR 102 Cb 0.70 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 1why n THR 102 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1why s SER 103 N 9.00 6.18 0.12 8.00 0.15 -1.26 -4.72 113.70 131.17 1why s SER 103 Ca 1.16 0.79 -0.19 0.00 0.70 0.00 0.00 55.95 58.41 1why s SER 103 Cb -0.86 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 61.27 1why s SER 103 CO 0.45 -0.58 1.75 0.25 1.20 0.00 0.00 173.24 176.31 1why h LEU 104 N 0.29 0.30 0.37 3.45 6.46 -2.00 -3.09 115.31 121.09 1why h LEU 104 Ca -0.47 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.24 1why h LEU 104 Cb 1.21 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.04 1why h LEU 104 CO 0.61 0.26 -0.44 0.00 -0.62 0.00 0.00 178.44 178.25 1why h ALA 105 N 1.06 -0.94 -0.88 1.25 0.00 -1.98 0.48 119.26 118.25 1why h ALA 105 Ca 0.09 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1why h ALA 105 Cb 0.01 0.66 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 1why h ALA 105 CO -0.02 -1.07 -0.40 0.00 0.00 0.00 0.00 179.25 177.76 1why n ALA 106 N -2.77 -0.26 0.24 0.00 0.00 -1.19 -0.45 120.51 116.08 1why n ALA 106 Ca -0.10 0.83 -0.15 0.00 0.00 0.00 0.00 53.44 54.02 1why n ALA 106 Cb 0.42 -0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.52 -0.94 0.00 3.38 -1.43 -2.71 115.31 113.09 1why h LEU 107 Ca 0.25 -0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.32 1why h LEU 107 Cb 0.47 0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.18 1why h LEU 107 CO -0.86 -0.21 -0.25 0.00 0.09 0.00 0.00 178.44 177.21 1why h ALA 108 N -0.42 0.56 -0.67 1.53 0.00 0.90 1.05 119.26 122.21 1why h ALA 108 Ca -0.06 0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1why h ALA 108 Cb 0.56 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1why h ALA 108 CO 0.10 -0.42 0.40 -0.09 0.00 0.00 0.00 179.25 179.25 1why h ARG 109 N -0.00 0.91 0.51 0.00 9.65 -0.72 0.12 114.38 124.85 1why h ARG 109 Ca 0.44 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 59.22 1why h ARG 109 Cb 0.68 -0.19 0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1why h ARG 109 CO -0.97 0.64 -0.25 0.93 2.80 0.00 0.00 179.97 183.12 1why h GLU 110 N 0.92 -0.66 -0.17 0.20 4.39 0.13 -3.23 114.58 116.16 1why h GLU 110 Ca 0.24 0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.03 1why h GLU 110 Cb -0.04 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1why h GLU 110 CO -0.05 -0.44 -0.11 0.74 -1.16 0.00 0.00 179.01 177.99 1why h PHE 111 N -1.02 -0.28 -0.85 4.33 -1.00 -0.77 -2.02 116.94 115.33 1why h PHE 111 Ca -0.07 0.02 0.31 0.00 2.81 0.00 0.00 57.97 61.04 1why h PHE 111 Cb 0.53 0.15 -0.16 0.00 3.61 0.00 0.00 35.95 40.08 1why h PHE 111 CO 0.02 -0.17 0.28 -3.47 -1.61 0.00 0.00 178.31 173.36 1why n ASP 112 N -5.26 0.13 -0.10 2.17 -0.08 0.43 -0.84 116.55 113.00 1why n ASP 112 Ca -0.02 1.42 -0.04 0.00 -1.51 0.00 0.00 54.79 54.64 1why n ASP 112 Cb 0.18 -0.62 -0.03 0.00 2.34 0.00 0.00 41.12 42.99 1why n ASP 112 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1why h ARG 113 N 0.00 -0.06 -0.77 -0.67 2.47 -1.38 -0.67 114.38 113.31 1why h ARG 113 Ca 0.64 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 59.51 1why h ARG 113 Cb 1.56 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 29.75 1why h ARG 113 CO -0.71 -0.04 -0.25 0.74 0.56 0.00 0.00 179.97 180.27 1why h PHE 114 N -0.06 -0.60 -1.98 3.04 -1.00 -1.15 -3.44 116.94 111.75 1why h PHE 114 Ca 0.04 0.07 0.13 0.00 2.81 0.00 0.00 57.97 61.03 1why h PHE 114 Cb 0.16 0.38 -0.17 0.00 3.61 0.00 0.00 35.95 39.93 1why h PHE 114 CO -0.83 -0.36 0.57 0.20 -1.61 0.00 0.00 178.31 176.28 1why s GLY 115 N -3.64 -0.39 0.30 -1.45 0.00 -0.26 -4.90 107.32 96.98 1why s GLY 115 Ca -0.14 1.33 -0.28 0.00 0.00 0.00 0.00 44.72 45.62 1why s GLY 115 CO 0.74 0.51 1.17 1.44 0.00 0.00 0.00 173.10 176.96 1why n SER 116 N -0.03 2.06 -4.68 1.64 7.64 -1.25 -4.16 113.62 114.85 1why n SER 116 Ca -0.07 1.19 -0.35 0.00 1.01 0.00 0.00 58.87 60.65 1why n SER 116 Cb 0.60 -1.38 -0.09 0.00 -1.01 0.00 0.00 64.21 62.33 1why n SER 116 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1why s ILE 117 N -0.96 5.10 -0.01 0.44 1.01 -1.26 -2.95 121.20 122.56 1why s ILE 117 Ca 0.58 0.08 -0.25 0.00 0.00 0.00 0.00 60.65 61.07 1why s ILE 117 Cb -0.64 -3.32 -0.18 0.00 0.01 0.00 0.00 42.46 38.33 1why s ILE 117 CO 0.60 0.44 1.20 -0.09 0.00 0.00 0.00 174.94 177.09 1why h ARG 118 N 6.76 -0.18 -1.78 2.79 9.65 -0.90 -3.48 114.38 127.23 1why h ARG 118 Ca -0.39 0.01 0.21 0.00 -1.10 0.00 0.00 59.98 58.72 1why h ARG 118 Cb 1.16 0.04 -0.16 0.00 -1.39 0.00 0.00 29.97 29.62 1why h ARG 118 CO 0.72 0.21 0.69 -0.08 2.80 0.00 0.00 179.97 184.32 1why s THR 119 N -4.32 0.00 -0.00 0.20 -1.32 -1.26 -5.05 115.64 103.88 1why s THR 119 Ca -0.15 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.28 1why s THR 119 Cb 0.02 -1.17 -0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1why s THR 119 CO 0.59 0.00 -0.04 -0.63 -2.21 0.00 0.00 174.62 172.33 1why s ILE 120 N -2.70 0.31 0.04 5.08 1.01 -1.26 -3.25 121.20 120.43 1why s ILE 120 Ca 0.09 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 1why s ILE 120 Cb -0.00 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 1why s ILE 120 CO -0.05 0.08 0.91 1.51 0.00 0.00 0.00 174.94 177.39 1why s ASP 121 N -0.12 7.36 -0.30 3.58 1.47 -1.22 -4.96 116.67 122.48 1why s ASP 121 Ca 0.01 1.63 -0.04 0.00 1.18 0.00 0.00 52.55 55.34 1why s ASP 121 Cb -0.02 -2.55 0.04 0.00 -0.34 0.00 0.00 42.92 40.05 1why s ASP 121 CO -0.00 -0.13 0.03 -2.28 0.68 0.00 0.00 175.17 173.47 1why s HIS 122 N 0.45 3.20 -0.19 2.11 2.46 -1.26 -4.33 115.29 117.74 1why s HIS 122 Ca 0.47 -1.53 -0.14 0.00 0.47 0.00 0.00 55.06 54.33 1why s HIS 122 Cb -0.21 -2.17 0.06 0.00 -0.13 0.00 0.00 32.58 30.12 1why s HIS 122 CO 0.27 -0.73 0.49 0.08 -2.47 0.00 0.00 174.74 172.38 1why s VAL 123 N 1.35 -0.01 -0.07 0.89 1.01 -1.26 -5.08 120.40 117.23 1why s VAL 123 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1why s VAL 123 Cb -0.19 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1why s VAL 123 CO 0.00 0.01 0.05 0.50 0.00 0.00 0.00 175.10 175.66 1why h LYS 124 N 6.28 -0.03 -0.68 2.72 3.11 -1.98 -3.28 116.57 122.71 1why h LYS 124 Ca -0.31 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 57.65 1why h LYS 124 Cb 1.19 0.01 -0.13 0.00 -1.00 0.00 0.00 32.23 32.30 1why h LYS 124 CO 0.23 -0.02 -0.31 0.78 -2.81 0.00 0.00 179.45 177.31 1why h GLY 125 N -0.77 0.05 0.29 5.01 0.00 -1.98 0.70 103.07 106.36 1why h GLY 125 Ca -0.00 0.41 0.23 0.00 0.00 0.00 0.00 47.33 47.97 1why h GLY 125 CO 0.01 -0.22 0.63 -0.55 0.00 0.00 0.00 176.54 176.40 1why h ASP 126 N -0.11 0.00 -3.13 0.19 3.32 -2.00 -3.44 116.42 111.25 1why h ASP 126 Ca 0.27 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.05 1why h ASP 126 Cb 0.56 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1why h ASP 126 CO -0.74 0.00 -0.32 -1.20 -1.72 0.00 0.00 179.24 175.26 1why n SER 127 N -4.08 -4.03 -3.74 6.45 7.64 0.24 -4.91 113.62 111.19 1why n SER 127 Ca 0.16 0.21 -0.10 0.00 1.01 0.00 0.00 58.87 60.15 1why n SER 127 Cb 0.92 -3.49 -0.06 0.00 -1.01 0.00 0.00 64.21 60.57 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 -2.54 -0.04 0.05 1.43 -0.12 -1.26 -4.13 117.98 111.36 1why s PHE 128 Ca 0.00 -0.31 0.03 0.00 -0.05 0.00 0.00 56.93 56.60 1why s PHE 128 Cb 0.00 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.47 1why s PHE 128 CO 0.00 -0.62 -0.09 0.00 -0.05 0.00 0.00 175.22 174.46 1why s ALA 129 N -3.72 0.70 -0.19 1.99 0.00 0.11 -4.54 121.76 116.11 1why s ALA 129 Ca 0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 1why s ALA 129 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1why s ALA 129 CO -0.11 0.02 -0.05 0.71 0.00 0.00 0.00 175.76 176.33 1why s TYR 130 N -1.32 2.95 -0.20 0.00 2.02 -1.26 -1.14 117.35 118.39 1why s TYR 130 Ca -0.08 -0.72 -0.08 0.00 -0.37 0.00 0.00 57.07 55.82 1why s TYR 130 Cb -0.10 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 1why s TYR 130 CO 0.01 -0.37 0.09 0.42 -1.57 0.00 0.00 175.55 174.13 1why s ILE 131 N 1.03 4.97 -0.17 2.71 -1.09 -0.41 -3.45 121.20 124.79 1why s ILE 131 Ca 0.00 0.04 0.01 0.00 -2.23 0.00 0.00 60.65 58.47 1why s ILE 131 Cb -0.15 -3.27 0.01 0.00 -1.58 0.00 0.00 42.46 37.48 1why s ILE 131 CO 0.00 0.43 -0.17 -1.58 -1.23 0.00 0.00 174.94 172.39 1why s GLN 132 N 0.58 3.10 0.04 2.79 2.00 -1.20 -0.05 119.66 126.92 1why s GLN 132 Ca 0.05 -0.79 0.00 0.00 -2.00 0.00 0.00 55.36 52.62 1why s GLN 132 Cb -0.12 -2.61 -0.04 0.00 0.80 0.00 0.00 33.01 31.03 1why s GLN 132 CO 0.01 -0.12 0.15 0.71 -0.50 0.00 0.00 175.29 175.55 1why s TYR 133 N 1.11 3.41 -0.03 1.67 2.02 -1.14 -0.19 117.35 124.20 1why s TYR 133 Ca 0.00 0.23 0.31 0.00 -0.37 0.00 0.00 57.07 57.24 1why s TYR 133 Cb -0.14 -1.74 1.23 0.00 -0.40 0.00 0.00 41.96 40.91 1why s TYR 133 CO -0.06 0.58 1.92 0.93 -1.57 0.00 0.00 175.55 177.35 1why h GLU 134 N 3.45 0.00 -4.08 -0.62 3.07 -1.88 -3.42 114.58 111.09 1why h GLU 134 Ca -0.47 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 57.93 1why h GLU 134 Cb 1.17 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.72 1why h GLU 134 CO 0.70 0.00 -0.79 -1.54 -1.40 0.00 0.00 179.01 175.98 1why s SER 135 N -5.52 1.57 0.22 1.42 1.04 -1.26 -5.03 113.70 106.13 1why s SER 135 Ca 0.02 -0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.15 1why s SER 135 Cb 0.09 -0.61 0.30 0.00 0.10 0.00 0.00 66.02 65.90 1why s SER 135 CO 0.53 -0.09 1.65 0.25 0.98 0.00 0.00 173.24 176.57 1why h LEU 136 N 7.70 -0.32 -0.19 2.42 6.46 -1.94 -1.06 115.31 128.38 1why h LEU 136 Ca -0.30 0.16 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 1why h LEU 136 Cb 1.15 0.29 -0.06 0.00 -0.73 0.00 0.00 40.66 41.31 1why h LEU 136 CO 0.40 -0.13 -0.20 0.44 -0.62 0.00 0.00 178.44 178.32 1why h ASP 137 N 0.10 -0.65 -0.46 1.25 3.32 -1.98 0.47 116.42 118.48 1why h ASP 137 Ca 0.33 0.12 0.13 0.00 0.02 0.00 0.00 57.03 57.63 1why h ASP 137 Cb 0.54 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1why h ASP 137 CO -0.56 -0.25 0.33 0.00 -1.72 0.00 0.00 179.24 177.05 1why h ALA 138 N 0.82 2.43 -0.06 3.45 0.00 -1.57 -1.54 119.26 122.79 1why h ALA 138 Ca 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1why h ALA 138 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1why h ALA 138 CO -0.32 -0.57 -0.26 0.00 0.00 0.00 0.00 179.25 178.10 1why h ALA 139 N 1.76 0.11 -0.86 0.00 0.00 -0.19 -3.15 119.26 116.93 1why h ALA 139 Ca 0.22 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1why h ALA 139 Cb 0.89 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1why h ALA 139 CO -0.00 0.12 0.56 1.96 0.00 0.00 0.00 179.25 181.89 1why h GLN 140 N -0.25 0.83 0.62 0.00 4.20 -0.20 -0.92 115.11 119.39 1why h GLN 140 Ca -0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1why h GLN 140 Cb 0.91 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1why h GLN 140 CO 0.05 0.55 -0.33 0.00 -0.67 0.00 0.00 178.83 178.43 1why h ALA 141 N 1.56 -0.88 -0.03 3.87 0.00 -1.45 -2.75 119.26 119.58 1why h ALA 141 Ca 0.39 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1why h ALA 141 Cb 0.38 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1why h ALA 141 CO -0.16 -1.00 -0.04 0.00 0.00 0.00 0.00 179.25 178.05 1why h ALA 142 N -0.51 -0.01 -1.39 0.00 0.00 -1.43 -0.41 119.26 115.50 1why h ALA 142 Ca -0.08 0.02 0.41 0.00 0.00 0.00 0.00 54.91 55.25 1why h ALA 142 Cb 0.69 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1why h ALA 142 CO 0.11 -0.53 0.97 0.00 0.00 0.00 0.00 179.25 179.81 1why h ALA 144 N 1.37 0.00 -0.30 0.00 0.00 -1.04 -3.24 119.26 116.05 1why h ALA 144 Ca 0.70 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1why h ALA 144 Cb 2.60 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 20.47 1why h ALA 144 CO -0.11 0.17 -0.42 0.87 0.00 0.00 0.00 179.25 179.76 1why h LYS 145 N -0.45 -0.37 -0.56 0.00 6.56 -0.68 -1.27 116.57 119.81 1why h LYS 145 Ca 0.00 0.03 0.11 0.00 -1.06 0.00 0.00 60.65 59.73 1why h LYS 145 Cb 0.17 0.08 -0.09 0.00 -0.57 0.00 0.00 32.23 31.82 1why h LYS 145 CO 0.00 -0.25 -0.02 0.52 -2.06 0.00 0.00 179.45 177.65 1why h MET 146 N -0.38 0.10 -6.00 3.15 2.86 -0.36 -3.42 114.93 110.87 1why h MET 146 Ca 0.12 -0.01 -0.80 0.00 -2.06 0.00 0.00 59.70 56.95 1why h MET 146 Cb 0.60 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1why h MET 146 CO -0.51 0.06 1.11 -2.13 1.06 0.00 0.00 176.91 176.51 1why n ARG 147 N -5.27 0.08 -2.27 1.72 0.63 -0.48 -0.71 116.66 110.36 1why n ARG 147 Ca 0.07 0.02 -0.02 0.00 -0.92 0.00 0.00 57.85 57.01 1why n ARG 147 Cb 0.31 -1.56 0.01 0.00 0.45 0.00 0.00 32.46 31.67 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 6.23 0.50 3.78 5.14 0.00 -1.07 -4.99 105.19 114.78 1why n GLY 148 Ca 0.46 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.03 3.87 -2.00 1.61 5.36 0.11 -4.88 117.98 119.02 1why s PHE 149 Ca 0.02 1.60 0.07 0.00 -0.96 0.00 0.00 56.93 57.66 1why s PHE 149 Cb -0.01 -2.74 0.44 0.00 -0.34 0.00 0.00 43.02 40.37 1why s PHE 149 CO 0.07 0.49 0.89 -0.35 -1.46 0.00 0.00 175.22 174.86 1why n PRO 150 N 1.46 0.49 -1.07 10.12 -0.04 -1.26 -3.17 135.00 141.53 1why n PRO 150 Ca -0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.17 1why n PRO 150 Cb 0.49 -1.24 -0.13 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.32 0.00 1.53 -0.00 -1.26 -3.15 117.00 113.07 1why n LEU 151 Ca 0.06 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1why n LEU 151 Cb 0.03 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 1why n LEU 151 CO 0.04 -0.72 0.00 0.61 -0.00 0.00 0.00 177.39 177.32 1why n GLY 152 N 4.32 1.07 0.00 -3.96 0.00 -1.26 -4.45 105.19 100.91 1why n GLY 152 Ca 0.47 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1why n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 153 N 0.00 4.39 0.18 -0.02 0.00 -1.19 -5.00 105.19 103.55 1why n GLY 153 Ca 0.00 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.19 1why n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 154 N 0.00 0.00 0.03 1.61 0.13 -1.94 -3.15 132.00 128.67 1why h PRO 154 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 1why h PRO 154 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1why h PRO 154 CO 0.00 0.00 -2.34 -0.25 -0.23 0.00 0.00 178.00 175.18 1why n ASP 155 N -2.49 2.01 -4.57 1.44 8.00 -1.26 -4.83 116.55 114.85 1why n ASP 155 Ca 0.02 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 1why n ASP 155 Cb 0.25 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1why s ARG 156 N -2.52 3.32 0.04 -1.24 0.52 -1.19 -4.99 118.95 112.88 1why s ARG 156 Ca -0.32 0.13 0.08 0.00 -0.52 0.00 0.00 55.73 55.10 1why s ARG 156 Cb 0.09 -4.11 -0.03 0.00 0.52 0.00 0.00 34.95 31.42 1why s ARG 156 CO 0.62 -1.94 -0.23 -0.98 0.02 0.00 0.00 175.30 172.79 1why s ARG 157 N 5.43 1.59 0.09 3.54 1.70 -1.26 -4.02 118.95 126.02 1why s ARG 157 Ca 0.43 -0.99 -0.29 0.00 -0.47 0.00 0.00 55.73 54.40 1why s ARG 157 Cb -0.09 -1.71 -0.05 0.00 -0.57 0.00 0.00 34.95 32.53 1why s ARG 157 CO 0.21 0.44 0.94 -0.51 -1.08 0.00 0.00 175.30 175.31 1why s LEU 158 N -1.14 4.47 -0.43 -1.89 1.43 -1.19 -4.89 118.68 115.05 1why s LEU 158 Ca 0.09 1.73 -0.09 0.00 -1.03 0.00 0.00 54.13 54.83 1why s LEU 158 Cb -0.09 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.67 1why s LEU 158 CO 0.02 -0.09 0.27 -0.13 0.23 0.00 0.00 176.35 176.65 1why s ARG 159 N 0.15 2.59 -0.17 1.70 1.81 -1.24 -2.60 118.95 121.19 1why s ARG 159 Ca 0.47 -1.50 -0.02 0.00 -1.72 0.00 0.00 55.73 52.96 1why s ARG 159 Cb -0.23 -3.80 -0.01 0.00 -0.45 0.00 0.00 34.95 30.46 1why s ARG 159 CO 0.29 -0.99 -0.09 0.08 -0.68 0.00 0.00 175.30 173.91 1why s VAL 160 N 1.42 3.24 -0.08 3.52 1.01 -1.26 -1.70 120.40 126.55 1why s VAL 160 Ca 0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1why s VAL 160 Cb -0.23 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.77 1why s VAL 160 CO 0.02 0.48 0.17 -1.81 0.00 0.00 0.00 175.10 173.96 1why s ASP 161 N 0.84 -0.05 0.70 3.32 1.01 -0.82 -4.77 116.67 116.90 1why s ASP 161 Ca -0.03 0.36 -0.17 0.00 0.71 0.00 0.00 52.55 53.42 1why s ASP 161 Cb -0.15 0.26 -0.14 0.00 1.01 0.00 0.00 42.92 43.89 1why s ASP 161 CO 0.01 -0.16 -0.42 0.49 0.21 0.00 0.00 175.17 175.30 1why n PHE 162 N 4.35 -3.81 -3.81 4.23 3.72 -1.26 -1.60 117.46 119.29 1why n PHE 162 Ca -0.24 0.23 -0.21 0.00 -0.05 0.00 0.00 57.45 57.18 1why n PHE 162 Cb 0.52 -1.52 -0.03 0.00 -0.94 0.00 0.00 39.48 37.51 1why n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1why s ALA 163 N -1.93 3.91 0.09 4.37 0.00 -1.23 -4.52 121.76 122.45 1why s ALA 163 Ca 0.48 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 51.03 1why s ALA 163 Cb -0.34 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 1why s ALA 163 CO 0.71 0.08 -0.21 0.21 0.00 0.00 0.00 175.76 176.55 1why s LYS 164 N -4.01 1.18 0.16 0.00 2.36 -1.26 -4.63 119.74 113.54 1why s LYS 164 Ca 0.39 -1.14 -0.20 0.00 -2.55 0.00 0.00 55.97 52.47 1why s LYS 164 Cb -0.08 -1.44 0.05 0.00 -1.05 0.00 0.00 37.83 35.32 1why s LYS 164 CO 0.28 0.34 0.54 -1.54 1.55 0.00 0.00 175.35 176.52 1why s SER 165 N -1.81 -0.42 0.04 1.43 1.04 -1.26 -5.18 113.70 107.54 1why s SER 165 Ca 0.07 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.35 1why s SER 165 Cb -0.10 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 1why s SER 165 CO 0.04 -0.97 -0.10 -0.83 0.98 0.00 0.00 173.24 172.36 1why s GLY 166 N -2.79 0.57 0.00 7.32 0.00 -1.26 -5.02 107.32 106.14 1why s GLY 166 Ca 0.03 -0.70 0.14 0.00 0.00 0.00 0.00 44.72 44.19 1why s GLY 166 CO -0.10 -0.71 1.44 -1.55 0.00 0.00 0.00 173.10 172.18 1why n PRO 167 N 1.84 0.03 -1.67 2.90 -0.04 -1.26 -4.81 135.00 132.00 1why n PRO 167 Ca -0.19 0.24 -0.49 0.00 -0.04 0.00 0.00 63.50 63.01 1why n PRO 167 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1why n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1why n SER 168 N -1.46 2.99 -0.03 3.54 2.88 -1.26 -4.85 113.62 115.43 1why n SER 168 Ca 0.04 1.04 -0.05 0.00 -1.33 0.00 0.00 58.87 58.57 1why n SER 168 Cb 0.16 -1.33 -0.03 0.00 -0.75 0.00 0.00 64.21 62.26 1why n SER 168 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1why n SER 169 N 5.07 2.54 0.00 -3.46 2.88 -1.26 -5.25 113.62 114.13 1why n SER 169 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1why n SER 169 Cb 0.26 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1why n SER 169 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42