#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxc h VAL 72 N 0.00 0.00 -0.11 6.31 -1.51 -2.01 -2.95 116.25 115.97 2hxc h VAL 72 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 2hxc h VAL 72 Cb 0.00 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2hxc h VAL 72 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 2hxc n ASN 73 N -3.01 1.15 -4.86 4.19 3.02 -1.26 -4.84 115.26 109.64 2hxc n ASN 73 Ca 0.02 -1.62 -0.37 0.00 -0.03 0.00 0.00 54.58 52.58 2hxc n ASN 73 Cb 0.40 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.44 2hxc n ASN 73 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2hxc s SER 74 N -1.57 6.62 0.48 6.41 0.15 -1.11 -4.94 113.70 119.73 2hxc s SER 74 Ca 0.31 0.74 0.33 0.00 0.70 0.00 0.00 55.95 58.02 2hxc s SER 74 Cb 0.16 -2.17 1.67 0.00 -1.71 0.00 0.00 66.02 63.97 2hxc s SER 74 CO 0.25 0.34 1.99 0.00 1.20 0.00 0.00 173.24 177.02 2hxc n ASP 76 N -2.69 3.21 -4.64 0.00 3.85 -1.26 -4.77 116.55 110.25 2hxc n ASP 76 Ca -0.01 -1.96 -0.46 0.00 -0.71 0.00 0.00 54.79 51.65 2hxc n ASP 76 Cb 0.11 -0.25 -0.03 0.00 -1.35 0.00 0.00 41.12 39.59 2hxc n ASP 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2hxc n TYR 77 N 1.32 1.88 -0.08 2.11 -0.00 -0.85 -4.85 117.16 116.69 2hxc n TYR 77 Ca 0.19 0.50 0.10 0.00 -0.00 0.00 0.00 57.90 58.70 2hxc n TYR 77 Cb 0.56 -2.41 0.48 0.00 -0.00 0.00 0.00 39.34 37.97 2hxc n TYR 77 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.86 176.97 2hxc h TRP 78 N 4.14 0.47 -0.01 2.98 5.08 -1.90 -1.34 115.95 125.38 2hxc h TRP 78 Ca -0.45 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.54 2hxc h TRP 78 Cb 1.30 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 2hxc h TRP 78 CO 0.56 0.24 -0.08 2.89 -1.28 0.00 0.00 178.44 180.77 2hxc n ARG 79 N -4.47 0.93 -0.83 0.12 1.85 -1.26 -3.64 116.66 109.35 2hxc n ARG 79 Ca 0.09 -0.35 -0.16 0.00 -1.00 0.00 0.00 57.85 56.42 2hxc n ARG 79 Cb 0.31 -1.49 0.12 0.00 -1.05 0.00 0.00 32.46 30.35 2hxc n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2hxc n HIS 80 N -0.73 2.08 0.68 2.89 8.25 -0.50 -4.65 115.22 123.25 2hxc n HIS 80 Ca 0.17 -1.43 0.11 0.00 -0.26 0.00 0.00 57.72 56.30 2hxc n HIS 80 Cb 0.27 -0.73 0.45 0.00 1.12 0.00 0.00 29.99 31.11 2hxc n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hxc n ALA 82 N -1.56 2.83 -2.67 0.00 0.00 -1.26 -1.14 120.51 116.71 2hxc n ALA 82 Ca 0.05 -2.74 -0.43 0.00 0.00 0.00 0.00 53.44 50.32 2hxc n ALA 82 Cb 0.27 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 2hxc n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hxc s VAL 83 N -2.22 4.74 -0.42 0.00 1.01 -1.10 -4.85 120.40 117.56 2hxc s VAL 83 Ca 0.33 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.35 2hxc s VAL 83 Cb 0.36 -4.30 0.11 0.00 0.00 0.00 0.00 36.38 32.55 2hxc s VAL 83 CO -0.09 -0.07 0.16 -0.62 0.00 0.00 0.00 175.10 174.48 2hxc s ASP 84 N 1.14 4.80 0.00 3.32 2.15 -1.26 -0.97 116.67 125.86 2hxc s ASP 84 Ca 0.46 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 51.06 2hxc s ASP 84 Cb -0.17 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 2hxc s ASP 84 CO 0.13 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 2hxc n GLY 85 N 4.00 -0.73 3.69 2.66 0.00 -0.63 -4.97 105.19 109.22 2hxc n GLY 85 Ca 0.03 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 2hxc n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hxc s PHE 86 N -2.96 3.33 0.03 1.61 0.40 -1.26 -0.47 117.98 118.66 2hxc s PHE 86 Ca 0.00 0.20 -0.30 0.00 -0.60 0.00 0.00 56.93 56.23 2hxc s PHE 86 Cb 0.00 -2.07 -0.07 0.00 0.51 0.00 0.00 43.02 41.39 2hxc s PHE 86 CO 0.00 0.28 1.52 -0.51 0.70 0.00 0.00 175.22 177.21 2hxc s LEU 87 N 0.14 4.34 0.58 -0.37 1.43 -0.45 -0.00 118.68 124.34 2hxc s LEU 87 Ca 0.06 2.29 0.28 0.00 -1.03 0.00 0.00 54.13 55.74 2hxc s LEU 87 Cb -0.12 -3.56 1.76 0.00 0.03 0.00 0.00 46.19 44.30 2hxc s LEU 87 CO -0.00 -0.80 2.24 0.00 0.23 0.00 0.00 176.35 178.02 2hxc h SER 89 N 0.00 0.00 -0.11 0.00 4.64 -1.74 -0.60 113.55 115.74 2hxc h SER 89 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hxc h SER 89 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2hxc h SER 89 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2hxc n GLY 92 N -1.23 0.72 0.00 0.00 0.00 -1.23 -4.69 105.19 98.76 2hxc n GLY 92 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2hxc n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hxc n GLY 93 N -2.07 4.44 2.44 -0.02 0.00 -0.83 -4.41 105.19 104.73 2hxc n GLY 93 Ca 0.00 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 2hxc n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hxc n THR 94 N 0.00 0.00 0.20 2.61 -2.24 -0.80 -4.28 114.28 109.76 2hxc n THR 94 Ca 0.00 -1.79 0.15 0.00 -2.27 0.00 0.00 64.05 60.14 2hxc n THR 94 Cb 0.00 0.77 0.77 0.00 -2.10 0.00 0.00 70.33 69.77 2hxc n THR 94 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2hxc h THR 95 N 1.65 0.65 0.00 4.28 2.02 -1.93 -3.06 112.91 116.51 2hxc h THR 95 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2hxc h THR 95 Cb 0.90 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2hxc h THR 95 CO 0.32 0.00 -0.21 0.35 0.37 0.00 0.00 175.52 176.34 2hxc n THR 96 N -4.09 0.91 -3.85 3.16 -2.24 -1.26 -2.17 114.28 104.74 2hxc n THR 96 Ca 0.01 -1.08 -0.12 0.00 -2.27 0.00 0.00 64.05 60.59 2hxc n THR 96 Cb 0.28 0.20 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 2hxc n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2hxc s THR 97 N -1.35 -0.01 0.35 4.28 -4.23 -1.16 -5.10 115.64 108.43 2hxc s THR 97 Ca 0.14 0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.42 2hxc s THR 97 Cb 0.12 -0.07 -0.09 0.00 1.34 0.00 0.00 72.50 73.81 2hxc s THR 97 CO 0.01 0.01 1.09 0.00 -0.54 0.00 0.00 174.62 175.20 2hxc n PRO 99 N 0.46 0.43 -1.61 0.00 -0.02 -1.26 -4.71 135.00 128.28 2hxc n PRO 99 Ca 0.02 0.19 -0.49 0.00 -2.02 0.00 0.00 63.50 61.21 2hxc n PRO 99 Cb 0.47 -2.01 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 2hxc n PRO 99 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2hxc n PRO 100 N -1.21 1.46 -1.00 0.52 -0.02 -1.26 -1.88 135.00 131.62 2hxc n PRO 100 Ca 0.12 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2hxc n PRO 100 Cb 0.49 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2hxc n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hxc n GLY 101 N 2.46 0.60 3.55 -1.23 0.00 -1.26 -5.02 105.19 104.28 2hxc n GLY 101 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2hxc n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hxc s SER 102 N -2.19 4.26 -0.15 1.61 1.04 -0.79 -4.72 113.70 112.76 2hxc s SER 102 Ca 0.00 -0.41 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 2hxc s SER 102 Cb 0.00 -0.77 -0.02 0.00 0.10 0.00 0.00 66.02 65.32 2hxc s SER 102 CO 0.00 0.19 -0.07 -0.89 0.98 0.00 0.00 173.24 173.45 2hxc s THR 103 N -1.16 3.54 0.43 2.02 2.01 -0.02 -4.74 115.64 117.72 2hxc s THR 103 Ca 0.20 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.46 2hxc s THR 103 Cb -0.11 -2.53 -0.09 0.00 0.01 0.00 0.00 72.50 69.78 2hxc s THR 103 CO 0.12 0.50 1.41 -2.84 -0.69 0.00 0.00 174.62 173.12 2hxc s PRO 104 N 0.44 3.79 0.22 4.92 0.02 -1.26 -0.45 135.00 142.67 2hxc s PRO 104 Ca -0.06 2.39 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 2hxc s PRO 104 Cb -0.15 -2.72 -0.09 0.00 0.02 0.00 0.00 34.50 31.57 2hxc s PRO 104 CO 0.04 -0.72 0.92 -1.54 -0.33 0.00 0.00 177.00 175.36 2hxc s SER 105 N -0.50 7.60 0.19 2.53 1.04 0.45 -4.89 113.70 120.11 2hxc s SER 105 Ca 0.59 1.89 0.25 0.00 0.48 0.00 0.00 55.95 59.16 2hxc s SER 105 Cb -0.43 -2.59 0.90 0.00 0.10 0.00 0.00 66.02 64.00 2hxc s SER 105 CO 0.56 0.15 1.76 -0.81 0.98 0.00 0.00 173.24 175.88 2hxc n PRO 106 N 1.60 0.20 -4.43 4.02 -0.04 -1.26 -4.73 135.00 130.35 2hxc n PRO 106 Ca -0.02 0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 63.48 2hxc n PRO 106 Cb 0.47 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 2hxc n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2hxc s ILE 107 N -3.15 1.86 0.00 0.52 -4.36 -1.26 -5.15 121.20 109.66 2hxc s ILE 107 Ca 0.09 -2.19 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 2hxc s ILE 107 Cb 0.12 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.46 2hxc s ILE 107 CO 0.51 -0.36 0.00 -1.54 0.24 0.00 0.00 174.94 173.79 2hxc n SER 108 N -0.58 0.11 -3.66 4.36 3.41 -1.26 -4.54 113.62 111.47 2hxc n SER 108 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 2hxc n SER 108 Cb 0.62 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 2hxc n SER 108 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hxc s ILE 110 N 1.16 -0.00 0.19 -1.33 -1.09 0.24 -4.87 121.20 115.50 2hxc s ILE 110 Ca 0.00 0.01 0.11 0.00 -2.23 0.00 0.00 60.65 58.53 2hxc s ILE 110 Cb 0.00 -0.88 -0.04 0.00 -1.58 0.00 0.00 42.46 39.96 2hxc s ILE 110 CO 0.00 0.00 -0.19 -0.83 -1.23 0.00 0.00 174.94 172.69 2hxc s GLY 111 N 0.69 1.72 -0.29 6.18 0.00 0.22 -4.57 107.32 111.27 2hxc s GLY 111 Ca -0.03 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.06 2hxc s GLY 111 CO -0.04 -1.61 0.02 -1.59 0.00 0.00 0.00 173.10 169.87 2hxc s THR 112 N -1.69 3.40 -0.00 0.90 2.01 -1.26 -0.53 115.64 118.46 2hxc s THR 112 Ca 0.22 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.32 2hxc s THR 112 Cb -0.08 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2hxc s THR 112 CO 0.12 0.06 -0.25 0.00 -0.69 0.00 0.00 174.62 173.86 2hxc s HIS 114 N -0.63 3.53 -0.46 0.00 2.46 -1.26 -0.87 115.29 118.07 2hxc s HIS 114 Ca 0.10 1.34 -0.20 0.00 0.47 0.00 0.00 55.06 56.77 2hxc s HIS 114 Cb -0.09 -2.95 0.03 0.00 -0.13 0.00 0.00 32.58 29.44 2hxc s HIS 114 CO -0.00 -0.06 0.62 1.21 -2.47 0.00 0.00 174.74 174.04 2hxc s ASN 115 N 0.98 6.27 0.00 9.88 3.84 0.71 -4.84 114.94 131.79 2hxc s ASN 115 Ca 0.41 -0.57 0.25 0.00 0.21 0.00 0.00 52.86 53.16 2hxc s ASN 115 Cb -0.18 -2.30 1.18 0.00 -0.55 0.00 0.00 41.25 39.40 2hxc s ASN 115 CO 0.18 -0.80 1.83 -0.81 -2.79 0.00 0.00 177.10 174.71 2hxc n PRO 116 N 6.18 0.18 0.04 0.43 -0.04 -1.26 -0.15 135.00 140.37 2hxc n PRO 116 Ca -0.04 0.06 -0.14 0.00 -0.04 0.00 0.00 63.50 63.34 2hxc n PRO 116 Cb 0.47 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 2hxc n PRO 116 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2hxc h HIS 117 N 0.00 0.27 -0.01 0.54 3.86 -1.95 -3.36 115.15 114.51 2hxc h HIS 117 Ca 0.00 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2hxc h HIS 117 Cb 0.34 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2hxc h HIS 117 CO 0.00 1.27 -0.12 -0.40 0.86 0.00 0.00 177.93 179.54 2hxc n ASP 118 N -3.33 1.16 -0.16 2.45 3.85 -1.20 -5.02 116.55 114.30 2hxc n ASP 118 Ca -0.16 -1.08 -0.02 0.00 -0.71 0.00 0.00 54.79 52.82 2hxc n ASP 118 Cb 1.03 0.36 -0.01 0.00 -1.35 0.00 0.00 41.12 41.16 2hxc n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hxc n GLY 119 N 0.70 0.55 3.64 6.12 0.00 0.79 -5.03 105.19 111.96 2hxc n GLY 119 Ca 0.03 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 2hxc n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hxc s LYS 120 N -1.40 2.28 -0.14 1.61 1.02 -1.13 -4.89 119.74 117.10 2hxc s LYS 120 Ca 0.00 -1.28 -0.09 0.00 0.02 0.00 0.00 55.97 54.62 2hxc s LYS 120 Cb 0.00 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2hxc s LYS 120 CO 0.00 0.41 0.16 -0.51 -0.92 0.00 0.00 175.35 174.49 2hxc s ASP 121 N -3.27 6.36 0.07 2.83 1.01 -1.26 -0.20 116.67 122.21 2hxc s ASP 121 Ca 0.29 0.43 0.07 0.00 0.71 0.00 0.00 52.55 54.04 2hxc s ASP 121 Cb -0.08 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 2hxc s ASP 121 CO 0.18 0.32 -0.19 -0.31 0.21 0.00 0.00 175.17 175.39 2hxc s TYR 122 N -0.56 1.63 -0.12 4.23 1.51 -0.05 -0.71 117.35 123.29 2hxc s TYR 122 Ca 0.13 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.55 2hxc s TYR 122 Cb -0.12 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.77 2hxc s TYR 122 CO 0.03 0.12 0.77 -0.51 -1.11 0.00 0.00 175.55 174.85 2hxc s LEU 123 N -1.54 4.25 -0.10 -1.29 1.43 0.42 -1.05 118.68 120.79 2hxc s LEU 123 Ca 0.05 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 2hxc s LEU 123 Cb -0.09 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 2hxc s LEU 123 CO 0.03 -0.26 -0.18 -0.63 0.23 0.00 0.00 176.35 175.53 2hxc s ILE 124 N 1.48 2.59 -0.27 -0.59 -1.09 0.31 -1.13 121.20 122.50 2hxc s ILE 124 Ca 0.38 -0.84 -0.08 0.00 -2.23 0.00 0.00 60.65 57.88 2hxc s ILE 124 Cb -0.17 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.64 2hxc s ILE 124 CO 0.16 0.55 0.11 -0.55 -1.23 0.00 0.00 174.94 173.97 2hxc s SER 125 N 0.18 5.38 -1.05 3.58 0.15 0.10 -0.61 113.70 121.44 2hxc s SER 125 Ca -0.11 -0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.17 2hxc s SER 125 Cb -0.16 -1.97 0.22 0.00 -1.71 0.00 0.00 66.02 62.40 2hxc s SER 125 CO 0.06 -0.07 1.11 -0.31 1.20 0.00 0.00 173.24 175.23 2hxc s TYR 126 N 1.64 3.85 0.29 3.44 1.51 -1.26 -1.10 117.35 125.73 2hxc s TYR 126 Ca 0.06 -2.26 -0.27 0.00 -1.01 0.00 0.00 57.07 53.59 2hxc s TYR 126 Cb -0.16 -4.00 -0.09 0.00 -0.11 0.00 0.00 41.96 37.60 2hxc s TYR 126 CO 0.05 -1.12 0.93 -1.01 -1.11 0.00 0.00 175.55 173.29 2hxc s HIS 127 N 0.15 3.78 0.30 2.71 3.76 -1.22 -4.63 115.29 120.15 2hxc s HIS 127 Ca 0.31 1.79 -0.01 0.00 -0.15 0.00 0.00 55.06 57.00 2hxc s HIS 127 Cb -0.08 -2.92 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 2hxc s HIS 127 CO -0.07 0.29 0.52 -0.51 -0.85 0.00 0.00 174.74 174.13 2hxc s ASP 128 N -1.49 6.36 -0.12 1.40 1.01 -1.26 -0.58 116.67 121.99 2hxc s ASP 128 Ca 0.47 0.53 -0.04 0.00 0.71 0.00 0.00 52.55 54.21 2hxc s ASP 128 Cb -0.21 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 2hxc s ASP 128 CO 0.26 -0.22 0.04 0.00 0.21 0.00 0.00 175.17 175.46 2hxc n GLY 131 N -0.39 0.68 3.11 0.00 0.00 -0.05 -0.84 105.19 107.69 2hxc n GLY 131 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2hxc n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hxc s LYS 132 N -0.33 0.66 0.93 1.61 1.02 -1.26 -4.93 119.74 117.45 2hxc s LYS 132 Ca 0.00 -1.01 -0.12 0.00 0.02 0.00 0.00 55.97 54.86 2hxc s LYS 132 Cb 0.00 -0.24 0.15 0.00 -0.52 0.00 0.00 37.83 37.22 2hxc s LYS 132 CO 0.00 0.02 1.10 0.95 -0.92 0.00 0.00 175.35 176.50 2hxc s THR 133 N -2.39 2.30 0.03 2.17 -4.23 -1.26 -3.29 115.64 108.97 2hxc s THR 133 Ca -0.00 0.10 -0.37 0.00 -1.18 0.00 0.00 61.69 60.24 2hxc s THR 133 Cb -0.03 -2.68 -0.16 0.00 1.34 0.00 0.00 72.50 70.97 2hxc s THR 133 CO -0.02 -0.13 1.49 0.00 -0.54 0.00 0.00 174.62 175.43 2hxc n ALA 134 N -3.93 -0.24 -0.19 3.99 0.00 -1.19 -4.55 120.51 114.40 2hxc n ALA 134 Ca 0.06 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.89 2hxc n ALA 134 Cb 0.57 -2.19 0.02 0.00 0.00 0.00 0.00 19.45 17.86 2hxc n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hxc n GLY 136 N -0.86 1.43 3.60 0.00 0.00 -1.26 -5.02 105.19 103.08 2hxc n GLY 136 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2hxc n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hxc s ARG 137 N -0.43 2.67 -1.16 1.61 0.52 -1.26 -4.69 118.95 116.20 2hxc s ARG 137 Ca 0.00 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 2hxc s ARG 137 Cb 0.00 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 2hxc s ARG 137 CO 0.00 0.63 0.83 0.00 0.02 0.00 0.00 175.30 176.78 2hxc s GLN 139 N -5.39 4.41 0.17 0.00 0.74 -1.26 -1.35 119.66 116.98 2hxc s GLN 139 Ca 0.29 1.79 0.09 0.00 0.05 0.00 0.00 55.36 57.57 2hxc s GLN 139 Cb -0.07 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 2hxc s GLN 139 CO 0.79 -0.29 -0.18 0.00 -0.55 0.00 0.00 175.29 175.06 2hxc n ASN 141 N 0.28 -0.06 -4.90 0.00 5.15 -1.16 -1.61 115.26 112.97 2hxc n ASN 141 Ca -0.13 -3.19 -0.32 0.00 -0.60 0.00 0.00 54.58 50.33 2hxc n ASN 141 Cb 0.57 0.08 -0.05 0.00 -0.53 0.00 0.00 39.78 39.86 2hxc n ASN 141 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2hxc s THR 142 N -1.66 5.20 -0.02 -0.44 2.01 -0.14 -4.95 115.64 115.64 2hxc s THR 142 Ca 0.35 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.43 2hxc s THR 142 Cb 0.33 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 69.27 2hxc s THR 142 CO -0.07 0.11 0.99 0.00 -0.69 0.00 0.00 174.62 174.96 2hxc n GLN 143 N 0.31 0.26 -1.70 4.92 1.13 -1.11 -3.52 117.38 117.67 2hxc n GLN 143 Ca -0.04 -1.23 -0.42 0.00 -1.94 0.00 0.00 57.00 53.36 2hxc n GLN 143 Cb 0.52 -0.67 -0.03 0.00 0.11 0.00 0.00 30.24 30.17 2hxc n GLN 143 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2hxc s THR 144 N -0.49 2.96 -0.65 5.09 2.01 -0.29 -1.86 115.64 122.41 2hxc s THR 144 Ca 0.05 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2hxc s THR 144 Cb 0.05 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2hxc s THR 144 CO 0.00 -0.00 0.00 0.54 -0.69 0.00 0.00 174.62 174.47 2hxc n ARG 145 N 7.18 -1.42 -2.55 4.92 1.74 -1.26 -4.57 116.66 120.69 2hxc n ARG 145 Ca 0.19 0.65 -0.39 0.00 -0.77 0.00 0.00 57.85 57.53 2hxc n ARG 145 Cb 0.41 -4.84 -0.05 0.00 -1.02 0.00 0.00 32.46 26.96 2hxc n ARG 145 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2hxc s GLU 146 N -2.25 4.52 0.13 5.56 -6.30 -0.78 -4.94 118.70 114.64 2hxc s GLU 146 Ca 0.00 1.64 0.03 0.00 -2.50 0.00 0.00 54.97 54.14 2hxc s GLU 146 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 34.13 31.11 2hxc s GLU 146 CO 0.00 0.15 -0.07 1.03 0.02 0.00 0.00 175.26 176.39 2hxc s ARG 147 N -1.77 0.97 1.24 4.30 1.81 -0.87 -5.03 118.95 119.61 2hxc s ARG 147 Ca 0.48 -1.41 -0.21 0.00 -1.72 0.00 0.00 55.73 52.87 2hxc s ARG 147 Cb -0.27 -0.38 0.31 0.00 -0.45 0.00 0.00 34.95 34.15 2hxc s ARG 147 CO 0.35 0.00 1.12 -2.30 -0.68 0.00 0.00 175.30 173.79 2hxc n PRO 148 N -0.14 -3.12 0.10 3.54 -0.02 -1.26 -3.60 135.00 130.50 2hxc n PRO 148 Ca -0.10 -1.79 0.10 0.00 -2.02 0.00 0.00 63.50 59.68 2hxc n PRO 148 Cb 0.61 -1.66 0.43 0.00 -0.02 0.00 0.00 33.50 32.87 2hxc n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hxc n GLY 149 N -4.85 -1.10 0.00 -1.23 0.00 -1.26 -0.56 105.19 96.19 2hxc n GLY 149 Ca 0.15 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.37 2hxc n GLY 149 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2hxc n TYR 150 N -2.02 0.00 -3.38 1.61 0.18 -1.26 -2.88 117.16 109.41 2hxc n TYR 150 Ca 0.02 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.53 2hxc n TYR 150 Cb 0.17 -0.27 -0.08 0.00 -0.38 0.00 0.00 39.34 38.78 2hxc n TYR 150 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2hxc n GLU 151 N -1.27 2.60 -0.30 -3.48 1.02 0.27 -5.02 120.64 114.47 2hxc n GLU 151 Ca 0.13 -4.69 0.02 0.00 -0.02 0.00 0.00 57.16 52.59 2hxc n GLU 151 Cb 0.20 -2.26 0.16 0.00 -0.02 0.00 0.00 31.44 29.51 2hxc n GLU 151 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2hxc h PHE 152 N 4.09 0.92 -0.01 -0.32 3.57 -1.67 -1.13 116.94 122.38 2hxc h PHE 152 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2hxc h PHE 152 Cb 0.65 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2hxc h PHE 152 CO 0.73 0.42 0.00 1.19 -2.23 0.00 0.00 178.31 178.42 2hxc n PHE 153 N -4.69 0.01 0.16 0.41 3.01 -1.26 -1.85 117.46 113.26 2hxc n PHE 153 Ca 0.13 -0.01 0.11 0.00 1.01 0.00 0.00 57.45 58.70 2hxc n PHE 153 Cb 0.23 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.93 2hxc n PHE 153 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2hxc n LEU 154 N -0.70 3.48 -4.62 4.37 4.77 -0.43 -0.59 117.00 123.27 2hxc n LEU 154 Ca 0.20 -1.60 -0.34 0.00 -0.03 0.00 0.00 56.01 54.24 2hxc n LEU 154 Cb 0.14 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 2hxc n LEU 154 CO 0.15 0.77 -0.27 -2.28 -1.33 0.00 0.00 177.39 174.44 2hxc s HIS 155 N -1.35 3.22 -0.20 -1.77 2.46 -0.77 -2.05 115.29 114.82 2hxc s HIS 155 Ca 0.39 0.03 0.14 0.00 0.47 0.00 0.00 55.06 56.08 2hxc s HIS 155 Cb 0.22 -2.03 0.29 0.00 -0.13 0.00 0.00 32.58 30.93 2hxc s HIS 155 CO 0.30 0.16 1.20 0.27 -2.47 0.00 0.00 174.74 174.20 2hxc n ASN 156 N 3.39 2.71 -1.55 9.88 0.23 -1.26 -4.50 115.26 124.16 2hxc n ASN 156 Ca -0.17 -2.73 0.08 0.00 -0.53 0.00 0.00 54.58 51.24 2hxc n ASN 156 Cb 0.52 -0.35 0.34 0.00 -2.08 0.00 0.00 39.78 38.22 2hxc n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2hxc n ASP 157 N -0.80 4.61 -4.50 0.53 8.00 -1.26 -4.70 116.55 118.42 2hxc n ASP 157 Ca 0.13 -2.47 -0.26 0.00 0.71 0.00 0.00 54.79 52.91 2hxc n ASP 157 Cb 0.60 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 2hxc n ASP 157 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2hxc s VAL 158 N -1.93 2.74 -0.49 2.53 -7.23 -1.26 -5.09 120.40 109.66 2hxc s VAL 158 Ca 0.48 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.36 2hxc s VAL 158 Cb 0.32 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.91 2hxc s VAL 158 CO 0.22 -0.21 1.08 0.21 -0.31 0.00 0.00 175.10 176.09 2hxc s ASN 159 N -3.04 6.56 0.00 4.85 2.47 -1.26 -4.89 114.94 119.63 2hxc s ASN 159 Ca 0.25 0.29 0.26 0.00 0.42 0.00 0.00 52.86 54.08 2hxc s ASN 159 Cb -0.07 -2.52 1.53 0.00 -1.45 0.00 0.00 41.25 38.74 2hxc s ASN 159 CO 0.14 -1.23 1.89 0.79 -3.72 0.00 0.00 177.10 174.97 2hxc n TRP 160 N 7.74 0.00 1.86 0.43 7.02 -1.26 -1.25 117.44 131.98 2hxc n TRP 160 Ca 0.10 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.68 2hxc n TRP 160 Cb 0.49 0.00 0.56 0.00 -2.42 0.00 0.00 31.31 29.94 2hxc n TRP 160 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2hxc h MET 162 N 0.42 0.00 -0.29 0.00 -0.00 -1.45 -1.65 114.93 111.96 2hxc h MET 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2hxc h MET 162 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 2hxc h MET 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2hxc n ALA 163 N -2.32 2.33 -1.53 -3.00 0.00 -1.26 -4.91 120.51 109.82 2hxc n ALA 163 Ca 0.01 -0.97 -0.31 0.00 0.00 0.00 0.00 53.44 52.18 2hxc n ALA 163 Cb 0.29 -0.55 0.07 0.00 0.00 0.00 0.00 19.45 19.26 2hxc n ALA 163 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2hxc s ASN 164 N -1.10 5.00 0.28 0.00 0.01 -0.62 -4.94 114.94 113.57 2hxc s ASN 164 Ca 0.26 1.54 0.00 0.00 -0.71 0.00 0.00 52.86 53.95 2hxc s ASN 164 Cb 0.15 -2.35 0.53 0.00 0.41 0.00 0.00 41.25 39.98 2hxc s ASN 164 CO 0.20 -1.68 1.83 -0.08 -1.51 0.00 0.00 177.10 175.87 2hxc h GLU 165 N -0.88 0.94 -4.65 -0.60 4.81 -1.95 -3.34 114.58 108.91 2hxc h GLU 165 Ca -0.45 -0.06 -0.58 0.00 -0.13 0.00 0.00 59.36 58.14 2hxc h GLU 165 Cb 1.23 -0.21 -0.35 0.00 0.63 0.00 0.00 28.75 30.05 2hxc h GLU 165 CO 0.57 0.62 -0.83 1.21 -0.73 0.00 0.00 179.01 179.85 2hxc s ASN 166 N -5.68 2.47 0.00 1.04 3.84 -1.26 -5.03 114.94 110.32 2hxc s ASN 166 Ca -0.12 -0.43 0.24 0.00 0.21 0.00 0.00 52.86 52.77 2hxc s ASN 166 Cb 0.22 -1.08 1.05 0.00 -0.55 0.00 0.00 41.25 40.88 2hxc s ASN 166 CO 0.80 -0.03 1.72 -1.54 -2.79 0.00 0.00 177.10 175.27 2hxc n SER 167 N 4.48 1.19 -4.71 -4.21 3.41 -1.26 -3.32 113.62 109.20 2hxc n SER 167 Ca -0.18 -1.51 -0.42 0.00 -0.26 0.00 0.00 58.87 56.50 2hxc n SER 167 Cb 0.51 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 2hxc n SER 167 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2hxc s THR 168 N -1.92 2.50 -0.13 6.66 2.01 -1.26 -4.68 115.64 118.82 2hxc s THR 168 Ca 0.36 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 62.34 2hxc s THR 168 Cb 0.19 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2hxc s THR 168 CO 0.30 0.01 0.79 0.12 -0.69 0.00 0.00 174.62 175.14 2hxc s PHE 169 N 1.80 3.48 -0.16 4.92 5.36 -1.26 -0.87 117.98 131.26 2hxc s PHE 169 Ca 0.75 1.26 -0.13 0.00 -0.96 0.00 0.00 56.93 57.85 2hxc s PHE 169 Cb -0.45 -2.94 -0.07 0.00 -0.34 0.00 0.00 43.02 39.22 2hxc s PHE 169 CO 0.33 -0.12 -0.27 1.58 -1.46 0.00 0.00 175.22 175.28 2hxc n HIS 170 N 4.67 0.00 -3.81 10.12 -0.00 -0.39 -3.18 115.22 122.63 2hxc n HIS 170 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.69 2hxc n HIS 170 Cb 0.50 -0.54 -0.02 0.00 -0.00 0.00 0.00 29.99 29.93 2hxc n HIS 170 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2hxc s THR 172 N -3.60 2.70 0.29 0.00 2.01 1.00 -0.35 115.64 117.68 2hxc s THR 172 Ca 0.12 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.34 2hxc s THR 172 Cb -0.04 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 2hxc s THR 172 CO 0.05 0.58 0.30 0.42 -0.69 0.00 0.00 174.62 175.27 2hxc s THR 173 N -0.44 4.23 -0.43 -0.82 -4.23 0.25 -1.36 115.64 112.84 2hxc s THR 173 Ca 0.05 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2hxc s THR 173 Cb -0.12 -3.41 0.13 0.00 1.34 0.00 0.00 72.50 70.44 2hxc s THR 173 CO 0.02 -0.26 0.21 -0.44 -0.54 0.00 0.00 174.62 173.61 2hxc s SER 174 N -3.96 3.89 -0.23 3.99 0.01 -0.92 -3.39 113.70 113.09 2hxc s SER 174 Ca 0.37 -2.56 -0.13 0.00 1.31 0.00 0.00 55.95 54.94 2hxc s SER 174 Cb -0.08 -1.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 2hxc s SER 174 CO 0.27 -0.28 0.29 -0.69 0.41 0.00 0.00 173.24 173.24 2hxc s VAL 175 N 0.41 5.27 -0.14 3.43 1.01 -0.25 -4.74 120.40 125.38 2hxc s VAL 175 Ca 0.16 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 2hxc s VAL 175 Cb -0.24 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2hxc s VAL 175 CO -0.03 0.28 1.16 -0.22 0.00 0.00 0.00 175.10 176.29 2hxc s LEU 176 N 1.32 4.20 -0.21 3.92 0.20 -1.26 0.00 118.68 126.85 2hxc s LEU 176 Ca 0.13 1.64 -0.21 0.00 0.69 0.00 0.00 54.13 56.38 2hxc s LEU 176 Cb -0.14 -3.55 -0.19 0.00 -0.43 0.00 0.00 46.19 41.88 2hxc s LEU 176 CO 0.07 -0.65 0.18 0.52 -0.29 0.00 0.00 176.35 176.18 2hxc n VAL 177 N 5.04 1.54 -3.81 1.68 0.31 -0.29 -4.94 118.33 117.86 2hxc n VAL 177 Ca 0.12 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2hxc n VAL 177 Cb 0.46 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 2hxc n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hxc n GLY 178 N 1.44 -1.25 3.77 2.92 0.00 -1.21 -5.01 105.19 105.85 2hxc n GLY 178 Ca -0.34 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 2hxc n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hxc s LEU 179 N 0.00 4.25 0.00 0.99 1.43 -1.26 -0.44 118.68 123.65 2hxc s LEU 179 Ca 0.00 2.61 0.24 0.00 -1.03 0.00 0.00 54.13 55.96 2hxc s LEU 179 Cb 0.00 -3.87 1.46 0.00 0.03 0.00 0.00 46.19 43.81 2hxc s LEU 179 CO 0.00 -0.76 1.82 0.00 0.23 0.00 0.00 176.35 177.64