#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q5y s GLN 51 N 0.00 2.30 0.00 -0.78 -1.52 -1.26 -2.24 119.66 116.15 1q5y s GLN 51 Ca 0.00 -1.61 0.00 0.00 -1.95 0.00 0.00 55.36 51.80 1q5y s GLN 51 Cb 0.00 -2.11 0.00 0.00 -0.22 0.00 0.00 33.01 30.68 1q5y s GLN 51 CO 0.00 0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.55 1q5y n GLY 52 N -1.11 -0.59 3.65 3.09 0.00 -0.68 -0.97 105.19 108.57 1q5y n GLY 52 Ca -0.03 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1q5y n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q5y s PHE 53 N -3.00 2.54 0.13 1.61 0.08 -0.77 -0.76 117.98 117.81 1q5y s PHE 53 Ca 0.00 -0.62 -0.22 0.00 0.12 0.00 0.00 56.93 56.21 1q5y s PHE 53 Cb 0.00 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.72 1q5y s PHE 53 CO 0.00 0.38 0.55 0.00 -0.10 0.00 0.00 175.22 176.06 1q5y s ALA 54 N -2.66 -1.44 -0.17 5.36 0.00 0.07 -0.29 121.76 122.63 1q5y s ALA 54 Ca 0.37 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.76 1q5y s ALA 54 Cb 0.07 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1q5y s ALA 54 CO 0.19 -0.69 -0.15 0.08 0.00 0.00 0.00 175.76 175.19 1q5y s VAL 55 N -3.49 1.71 -0.21 0.00 1.01 0.20 -0.85 120.40 118.76 1q5y s VAL 55 Ca 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1q5y s VAL 55 Cb -0.00 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1q5y s VAL 55 CO -0.10 0.42 -0.12 -0.22 0.00 0.00 0.00 175.10 175.07 1q5y s LEU 56 N 1.42 2.68 0.12 3.92 2.96 -0.12 -0.68 118.68 128.98 1q5y s LEU 56 Ca 0.04 -0.72 0.10 0.00 -0.22 0.00 0.00 54.13 53.33 1q5y s LEU 56 Cb -0.14 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1q5y s LEU 56 CO -0.11 -0.05 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.69 1q5y s SER 57 N 1.32 3.54 0.05 3.68 1.04 -0.22 -0.11 113.70 123.00 1q5y s SER 57 Ca 0.03 -0.68 -0.27 0.00 0.48 0.00 0.00 55.95 55.51 1q5y s SER 57 Cb -0.15 -0.35 0.09 0.00 0.10 0.00 0.00 66.02 65.71 1q5y s SER 57 CO -0.08 0.18 0.89 -0.72 0.98 0.00 0.00 173.24 174.49 1q5y s TYR 58 N -1.09 -0.29 0.01 5.02 -0.85 -0.49 -1.15 117.35 118.51 1q5y s TYR 58 Ca 0.16 0.10 0.08 0.00 -0.52 0.00 0.00 57.07 56.88 1q5y s TYR 58 Cb -0.10 0.57 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 1q5y s TYR 58 CO 0.08 -0.65 -0.24 0.08 -1.52 0.00 0.00 175.55 173.30 1q5y s VAL 59 N -3.20 1.89 0.09 -3.49 1.01 0.05 -1.06 120.40 115.68 1q5y s VAL 59 Ca 0.07 -1.15 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 1q5y s VAL 59 Cb -0.01 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.82 1q5y s VAL 59 CO -0.06 0.41 0.46 -0.72 0.00 0.00 0.00 175.10 175.19 1q5y s TYR 60 N -0.67 -0.32 -0.16 5.22 1.13 -0.07 -0.91 117.35 121.56 1q5y s TYR 60 Ca 0.09 0.19 -0.25 0.00 -1.41 0.00 0.00 57.07 55.69 1q5y s TYR 60 Cb -0.09 0.30 -0.02 0.00 -1.10 0.00 0.00 41.96 41.06 1q5y s TYR 60 CO 0.00 -0.67 0.80 -1.21 -2.51 0.00 0.00 175.55 171.97 1q5y s GLU 61 N -3.08 4.30 0.26 -3.49 2.02 -1.26 -0.46 118.70 117.00 1q5y s GLU 61 Ca -0.02 0.97 0.11 0.00 0.02 0.00 0.00 54.97 56.05 1q5y s GLU 61 Cb 0.00 -3.56 0.31 0.00 0.10 0.00 0.00 34.13 30.98 1q5y s GLU 61 CO -0.07 -0.29 1.58 1.12 0.02 0.00 0.00 175.26 177.63 1q5y h HIS 62 N 7.31 0.00 -0.15 1.61 2.07 -1.87 -3.39 115.15 120.73 1q5y h HIS 62 Ca -0.30 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 56.72 1q5y h HIS 62 Cb 1.14 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.09 1q5y h HIS 62 CO 0.71 0.64 2.08 0.39 -3.07 0.00 0.00 177.93 178.68 1q5y n GLU 63 N -3.74 3.11 0.00 5.12 4.71 -1.26 -3.09 120.64 125.49 1q5y n GLU 63 Ca -0.01 -1.89 0.00 0.00 -0.01 0.00 0.00 57.16 55.25 1q5y n GLU 63 Cb 0.64 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 1q5y n GLU 63 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1q5y n LEU 67 N 2.91 0.00 -0.21 -4.62 7.94 -1.26 -5.12 117.00 116.64 1q5y n LEU 67 Ca 0.63 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.52 1q5y n LEU 67 Cb 0.49 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.53 1q5y n LEU 67 CO 0.56 0.00 1.04 0.00 -1.11 0.00 0.00 177.39 177.87 1q5y h ALA 68 N 0.00 0.81 -0.37 1.96 0.00 -1.77 -0.69 119.26 119.19 1q5y h ALA 68 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1q5y h ALA 68 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1q5y h ALA 68 CO 0.00 -0.08 -0.30 1.03 0.00 0.00 0.00 179.25 179.90 1q5y h SER 69 N 0.54 0.91 0.49 0.00 0.87 -1.99 -2.27 113.55 112.11 1q5y h SER 69 Ca 0.29 -0.45 -0.15 0.00 -1.23 0.00 0.00 61.79 60.25 1q5y h SER 69 Cb 0.26 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1q5y h SER 69 CO -0.22 1.17 -0.64 0.03 -0.53 0.00 0.00 176.83 176.63 1q5y h ARG 70 N 0.67 0.14 -0.66 2.24 -0.00 -1.83 -1.96 114.38 112.98 1q5y h ARG 70 Ca 0.07 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.98 59.42 1q5y h ARG 70 Cb 0.89 0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.84 1q5y h ARG 70 CO 0.08 0.73 0.31 0.82 0.00 0.00 0.00 179.97 181.91 1q5y h ILE 71 N 0.10 1.22 -0.08 2.04 2.04 -1.01 0.12 117.51 121.94 1q5y h ILE 71 Ca -0.01 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1q5y h ILE 71 Cb 1.15 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1q5y h ILE 71 CO 0.09 0.26 0.04 0.58 0.00 0.00 0.00 178.15 179.12 1q5y h VAL 72 N 0.94 1.11 -0.92 1.67 2.07 -1.24 -1.75 116.25 118.13 1q5y h VAL 72 Ca 0.23 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1q5y h VAL 72 Cb 0.12 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1q5y h VAL 72 CO -0.03 0.10 0.61 0.28 0.02 0.00 0.00 177.57 178.55 1q5y h SER 73 N -0.00 1.04 -0.36 0.57 0.02 -0.89 -0.68 113.55 113.24 1q5y h SER 73 Ca 0.03 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1q5y h SER 73 Cb 0.12 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1q5y h SER 73 CO -0.00 0.74 0.20 0.74 -1.14 0.00 0.00 176.83 177.37 1q5y h THR 74 N 1.22 1.13 0.00 -2.27 2.02 -0.51 -1.74 112.91 112.77 1q5y h THR 74 Ca 0.35 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 67.02 1q5y h THR 74 Cb -0.10 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1q5y h THR 74 CO -0.09 0.15 -0.72 1.56 0.37 0.00 0.00 175.52 176.79 1q5y h GLN 75 N 0.55 0.00 -0.02 6.66 4.20 -0.32 -3.15 115.11 123.03 1q5y h GLN 75 Ca 0.14 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 1q5y h GLN 75 Cb 0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1q5y h GLN 75 CO -0.02 0.72 -0.30 0.45 -0.67 0.00 0.00 178.83 179.01 1q5y h HIS 76 N 0.00 0.04 0.00 2.96 3.86 -0.30 -1.39 115.15 120.31 1q5y h HIS 76 Ca -0.01 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1q5y h HIS 76 Cb 1.34 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.80 1q5y h HIS 76 CO 0.00 0.33 -0.01 0.45 0.86 0.00 0.00 177.93 179.56 1q5y h HIS 77 N 0.03 0.00 -0.48 2.45 3.86 -1.38 -1.98 115.15 117.65 1q5y h HIS 77 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 1q5y h HIS 77 Cb 0.55 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.78 1q5y h HIS 77 CO 0.00 0.01 -0.50 0.72 0.86 0.00 0.00 177.93 179.02 1q5y n HIS 78 N -3.87 1.69 0.32 2.45 -0.00 -0.59 -4.89 115.22 110.32 1q5y n HIS 78 Ca -0.03 -1.96 0.16 0.00 -0.00 0.00 0.00 57.72 55.89 1q5y n HIS 78 Cb 0.10 -0.41 0.60 0.00 -0.00 0.00 0.00 29.99 30.28 1q5y n HIS 78 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1q5y h HIS 79 N 1.63 0.00 0.00 4.41 -0.00 -0.61 -0.07 115.15 120.51 1q5y h HIS 79 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.62 1q5y h HIS 79 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.76 1q5y h HIS 79 CO 0.89 0.00 0.00 0.38 -0.00 0.00 0.00 177.93 179.20 1q5y h ASP 80 N 0.00 0.00 0.97 3.10 3.04 -1.85 -2.15 116.42 119.52 1q5y h ASP 80 Ca 0.00 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.64 1q5y h ASP 80 Cb 0.50 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.76 1q5y h ASP 80 CO 0.00 0.00 -1.11 0.25 -2.04 0.00 0.00 179.24 176.34 1q5y h LEU 81 N 0.00 0.00 -9.57 0.15 5.85 -1.22 -3.46 115.31 107.05 1q5y h LEU 81 Ca 0.00 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.14 1q5y h LEU 81 Cb 0.51 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1q5y h LEU 81 CO 0.00 0.57 -0.10 -0.55 -0.34 0.00 0.00 178.44 178.02 1q5y s SER 82 N -6.03 6.89 -0.14 1.25 0.15 -0.81 -0.73 113.70 114.27 1q5y s SER 82 Ca -0.01 1.06 -0.12 0.00 0.70 0.00 0.00 55.95 57.58 1q5y s SER 82 Cb 0.08 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1q5y s SER 82 CO 0.79 0.19 -0.23 0.52 1.20 0.00 0.00 173.24 175.71 1q5y n VAL 83 N 2.40 1.32 -3.54 4.45 0.31 0.42 -4.88 118.33 118.81 1q5y n VAL 83 Ca -0.10 0.21 -0.08 0.00 -0.01 0.00 0.00 64.34 64.37 1q5y n VAL 83 Cb 0.51 -2.29 -0.02 0.00 -0.91 0.00 0.00 33.84 31.13 1q5y n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q5y s ALA 84 N -2.83 -1.78 -0.03 3.52 0.00 -1.21 -5.02 121.76 114.41 1q5y s ALA 84 Ca -0.19 0.84 0.05 0.00 0.00 0.00 0.00 51.96 52.66 1q5y s ALA 84 Cb 0.03 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1q5y s ALA 84 CO 0.28 -0.75 -0.19 -0.08 0.00 0.00 0.00 175.76 175.03 1q5y s THR 85 N -3.19 1.51 -0.16 0.00 -1.32 -1.26 -1.23 115.64 109.98 1q5y s THR 85 Ca 0.06 -0.79 -0.08 0.00 -1.21 0.00 0.00 61.69 59.67 1q5y s THR 85 Cb -0.01 -1.27 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 1q5y s THR 85 CO -0.08 0.43 0.10 -0.22 -2.21 0.00 0.00 174.62 172.64 1q5y s LEU 86 N -0.21 4.08 -0.03 9.08 2.96 0.61 -4.93 118.68 130.22 1q5y s LEU 86 Ca 0.02 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 1q5y s LEU 86 Cb -0.10 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 1q5y s LEU 86 CO 0.01 0.25 -0.17 -2.28 -1.32 0.00 0.00 176.35 172.84 1q5y s HIS 87 N -0.10 1.69 -0.10 5.38 5.65 -1.26 -0.53 115.29 126.02 1q5y s HIS 87 Ca 0.09 -0.44 0.02 0.00 0.25 0.00 0.00 55.06 54.98 1q5y s HIS 87 Cb -0.12 -1.12 0.01 0.00 -1.18 0.00 0.00 32.58 30.17 1q5y s HIS 87 CO 0.01 -0.13 -0.15 0.08 -0.65 0.00 0.00 174.74 173.89 1q5y s VAL 88 N -0.09 1.50 -0.84 0.89 1.01 0.20 -5.00 120.40 118.07 1q5y s VAL 88 Ca -0.01 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 1q5y s VAL 88 Cb -0.10 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 34.98 1q5y s VAL 88 CO 0.01 0.44 1.23 -1.00 0.00 0.00 0.00 175.10 175.78 1q5y s HIS 89 N 0.92 2.62 0.15 5.22 3.76 -1.26 -0.86 115.29 125.84 1q5y s HIS 89 Ca -0.08 -0.68 0.11 0.00 -0.15 0.00 0.00 55.06 54.26 1q5y s HIS 89 Cb -0.15 -4.50 0.18 0.00 1.11 0.00 0.00 32.58 29.22 1q5y s HIS 89 CO -0.01 -1.82 1.50 -0.84 -0.85 0.00 0.00 174.74 172.73 1q5y h ILE 90 N 6.21 1.38 -2.42 0.60 3.07 -1.58 -3.47 117.51 121.30 1q5y h ILE 90 Ca -0.05 -2.48 -0.04 0.00 1.55 0.00 0.00 64.86 63.85 1q5y h ILE 90 Cb 1.04 2.38 -0.01 0.00 -0.27 0.00 0.00 36.82 39.96 1q5y h ILE 90 CO 1.27 0.68 0.04 -0.46 -1.05 0.00 0.00 178.15 178.62 1q5y n ASN 91 N -3.54 -0.59 -0.23 2.16 0.23 -1.15 -5.00 115.26 107.15 1q5y n ASN 91 Ca -0.00 -1.52 0.08 0.00 -0.53 0.00 0.00 54.58 52.61 1q5y n ASN 91 Cb 0.72 1.01 0.34 0.00 -2.08 0.00 0.00 39.78 39.78 1q5y n ASN 91 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1q5y h HIS 92 N 1.30 0.83 0.00 -2.53 3.86 -2.04 -3.26 115.15 113.31 1q5y h HIS 92 Ca -0.09 0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 58.93 1q5y h HIS 92 Cb 0.37 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 1q5y h HIS 92 CO 0.00 0.40 -2.14 -0.25 0.86 0.00 0.00 177.93 176.80 1q5y n ASP 93 N -4.50 0.39 -4.52 2.45 8.00 -1.26 -4.98 116.55 112.13 1q5y n ASP 93 Ca 0.13 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 1q5y n ASP 93 Cb 0.29 1.33 -0.12 0.00 -0.02 0.00 0.00 41.12 42.61 1q5y n ASP 93 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1q5y s ASP 94 N -4.92 4.22 -0.04 -2.24 1.01 -1.23 -2.56 116.67 110.90 1q5y s ASP 94 Ca -0.08 -0.20 0.06 0.00 0.71 0.00 0.00 52.55 53.04 1q5y s ASP 94 Cb 0.08 -0.91 -0.02 0.00 1.01 0.00 0.00 42.92 43.09 1q5y s ASP 94 CO 0.79 0.32 -0.21 0.00 0.21 0.00 0.00 175.17 176.28 1q5y s LEU 96 N -0.53 3.43 0.02 0.00 2.96 -0.04 -0.89 118.68 123.64 1q5y s LEU 96 Ca 0.07 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 1q5y s LEU 96 Cb -0.11 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1q5y s LEU 96 CO 0.01 0.08 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.34 1q5y s GLU 97 N 0.90 1.18 -0.15 1.98 2.02 -0.22 -0.63 118.70 123.78 1q5y s GLU 97 Ca 0.02 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 1q5y s GLU 97 Cb -0.14 -1.20 0.04 0.00 0.10 0.00 0.00 34.13 32.92 1q5y s GLU 97 CO 0.02 0.31 -0.05 0.42 0.02 0.00 0.00 175.26 175.98 1q5y s ILE 98 N -0.68 1.03 -0.22 -1.63 1.09 0.31 -1.39 121.20 119.71 1q5y s ILE 98 Ca 0.05 -0.49 -0.09 0.00 -1.10 0.00 0.00 60.65 59.02 1q5y s ILE 98 Cb -0.08 -1.17 -0.04 0.00 -1.06 0.00 0.00 42.46 40.11 1q5y s ILE 98 CO 0.01 0.20 0.11 0.00 -0.10 0.00 0.00 174.94 175.15 1q5y s ALA 99 N 1.68 3.48 -0.17 9.38 0.00 0.84 -0.29 121.76 136.68 1q5y s ALA 99 Ca 0.02 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 1q5y s ALA 99 Cb -0.14 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1q5y s ALA 99 CO -0.08 -0.08 0.31 0.08 0.00 0.00 0.00 175.76 175.99 1q5y s VAL 100 N 0.85 5.29 0.19 0.00 1.01 -0.36 -0.94 120.40 126.43 1q5y s VAL 100 Ca 0.06 0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.71 1q5y s VAL 100 Cb -0.13 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1q5y s VAL 100 CO 0.03 0.36 -0.13 -0.76 0.00 0.00 0.00 175.10 174.59 1q5y s LEU 101 N 0.62 2.82 -0.11 3.92 1.43 -0.03 -0.44 118.68 126.89 1q5y s LEU 101 Ca 0.17 -0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 1q5y s LEU 101 Cb -0.13 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1q5y s LEU 101 CO 0.05 0.10 0.27 -0.75 0.23 0.00 0.00 176.35 176.25 1q5y s LYS 102 N -2.87 0.25 0.00 1.70 2.20 0.09 -0.75 119.74 120.36 1q5y s LYS 102 Ca 0.24 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1q5y s LYS 102 Cb -0.08 -0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 1q5y s LYS 102 CO 0.14 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1q5y n GLY 103 N 3.96 0.25 3.73 5.54 0.00 0.06 -4.46 105.19 114.27 1q5y n GLY 103 Ca -0.22 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1q5y n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q5y s ASP 104 N -4.00 7.21 0.55 1.61 -1.08 -1.26 -1.69 116.67 118.00 1q5y s ASP 104 Ca 0.00 2.01 0.23 0.00 -0.52 0.00 0.00 52.55 54.27 1q5y s ASP 104 Cb 0.00 -2.59 1.51 0.00 -1.46 0.00 0.00 42.92 40.38 1q5y s ASP 104 CO 0.00 -0.31 2.18 0.24 0.52 0.00 0.00 175.17 177.80 1q5y h MET 105 N 5.89 0.00 -0.03 4.34 2.86 -1.79 0.93 114.93 127.13 1q5y h MET 105 Ca -0.43 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 56.97 1q5y h MET 105 Cb 1.21 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.88 1q5y h MET 105 CO 0.76 0.03 -0.93 0.78 1.06 0.00 0.00 176.91 178.60 1q5y h GLY 106 N 0.11 0.64 2.00 8.32 0.00 -1.90 -0.88 103.07 111.36 1q5y h GLY 106 Ca -0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 47.33 46.24 1q5y h GLY 106 CO 0.00 0.94 -0.11 -0.55 0.00 0.00 0.00 176.54 176.83 1q5y h ASP 107 N 0.34 0.00 -0.06 0.19 3.32 -1.52 -1.90 116.42 116.79 1q5y h ASP 107 Ca -0.09 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 1q5y h ASP 107 Cb 1.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1q5y h ASP 107 CO 0.17 0.11 -0.34 0.58 -1.72 0.00 0.00 179.24 178.05 1q5y h VAL 108 N 0.00 1.44 -0.06 -1.35 2.07 -0.48 0.31 116.25 118.17 1q5y h VAL 108 Ca -0.00 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 1q5y h VAL 108 Cb 0.23 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1q5y h VAL 108 CO 0.01 0.51 -0.00 1.56 0.02 0.00 0.00 177.57 179.67 1q5y h GLN 109 N -0.18 0.09 0.42 1.57 1.08 -1.15 0.16 115.11 117.09 1q5y h GLN 109 Ca -0.03 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1q5y h GLN 109 Cb 1.00 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1q5y h GLN 109 CO 0.07 0.10 -0.20 0.45 -0.95 0.00 0.00 178.83 178.30 1q5y h HIS 110 N 0.09 -0.52 -0.81 2.96 -0.00 -0.93 -1.94 115.15 114.00 1q5y h HIS 110 Ca 0.02 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.45 1q5y h HIS 110 Cb 0.07 0.17 -0.10 0.00 -0.00 0.00 0.00 27.41 27.55 1q5y h HIS 110 CO 0.00 -0.32 -0.52 0.35 -0.00 0.00 0.00 177.93 177.44 1q5y h PHE 111 N -0.59 -1.65 0.00 2.45 3.04 -0.26 -1.60 116.94 118.32 1q5y h PHE 111 Ca -0.06 0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1q5y h PHE 111 Cb 0.43 0.83 0.00 0.00 2.56 0.00 0.00 35.95 39.77 1q5y h PHE 111 CO 0.12 -0.34 0.00 0.00 -2.02 0.00 0.00 178.31 176.07 1q5y n ALA 112 N -3.20 1.06 -0.01 2.41 0.00 0.57 -1.08 120.51 120.27 1q5y n ALA 112 Ca 0.01 0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.49 1q5y n ALA 112 Cb 0.24 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 18.24 1q5y n ALA 112 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1q5y h ASP 113 N 0.00 0.40 0.33 0.00 3.04 -0.48 -0.08 116.42 119.63 1q5y h ASP 113 Ca 0.00 -0.79 0.00 0.00 -3.24 0.00 0.00 57.03 53.00 1q5y h ASP 113 Cb 0.01 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.18 1q5y h ASP 113 CO 0.00 1.14 0.00 -0.90 -2.04 0.00 0.00 179.24 177.44 1q5y n ASP 114 N -4.33 0.18 -0.05 4.15 5.75 -0.24 -2.75 116.55 119.26 1q5y n ASP 114 Ca -0.10 0.56 -0.08 0.00 -0.01 0.00 0.00 54.79 55.16 1q5y n ASP 114 Cb 0.62 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 40.09 1q5y n ASP 114 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1q5y n VAL 115 N -1.71 1.37 -0.09 2.12 0.31 -1.11 -4.68 118.33 114.55 1q5y n VAL 115 Ca 0.02 0.18 -0.02 0.00 -0.01 0.00 0.00 64.34 64.50 1q5y n VAL 115 Cb 0.11 -2.07 0.23 0.00 -0.91 0.00 0.00 33.84 31.20 1q5y n VAL 115 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1q5y h ILE 116 N -0.67 1.22 -0.00 2.52 2.04 -1.00 -1.12 117.51 120.50 1q5y h ILE 116 Ca -0.05 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1q5y h ILE 116 Cb 0.75 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1q5y h ILE 116 CO -0.03 0.29 -0.01 0.00 0.00 0.00 0.00 178.15 178.41 1q5y n ALA 117 N -2.47 2.60 -1.55 1.87 0.00 -1.11 -4.78 120.51 115.07 1q5y n ALA 117 Ca 0.03 -0.18 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 1q5y n ALA 117 Cb 0.23 -1.49 0.06 0.00 0.00 0.00 0.00 19.45 18.26 1q5y n ALA 117 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1q5y s GLN 118 N -2.28 2.58 0.12 0.00 0.00 -0.43 -4.92 119.66 114.73 1q5y s GLN 118 Ca 0.38 1.75 -0.30 0.00 -0.00 0.00 0.00 55.36 57.19 1q5y s GLN 118 Cb 0.21 -1.89 -0.07 0.00 0.00 0.00 0.00 33.01 31.26 1q5y s GLN 118 CO 0.42 -1.49 1.22 1.03 0.00 0.00 0.00 175.29 176.47 1q5y s ARG 119 N -3.68 4.44 0.00 9.60 1.81 -1.26 -2.82 118.95 127.05 1q5y s ARG 119 Ca 0.75 1.86 0.00 0.00 -1.72 0.00 0.00 55.73 56.62 1q5y s ARG 119 Cb -0.29 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 30.92 1q5y s ARG 119 CO 0.40 -0.21 0.00 0.41 -0.68 0.00 0.00 175.30 175.22 1q5y n GLY 120 N 2.83 0.30 3.71 -3.53 0.00 -1.26 -5.05 105.19 102.19 1q5y n GLY 120 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1q5y n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q5y s VAL 121 N -2.10 5.05 0.30 1.61 1.01 -1.13 -4.33 120.40 120.81 1q5y s VAL 121 Ca 0.00 1.41 0.08 0.00 0.00 0.00 0.00 61.98 63.47 1q5y s VAL 121 Cb 0.00 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1q5y s VAL 121 CO 0.00 0.25 -0.09 -0.13 0.00 0.00 0.00 175.10 175.13 1q5y s ARG 122 N 0.86 1.65 -1.35 2.72 0.52 -0.09 -4.81 118.95 118.45 1q5y s ARG 122 Ca 0.36 -1.83 -0.04 0.00 -0.52 0.00 0.00 55.73 53.71 1q5y s ARG 122 Cb -0.17 -1.40 0.02 0.00 0.52 0.00 0.00 34.95 33.92 1q5y s ARG 122 CO 0.17 0.10 0.27 0.72 0.02 0.00 0.00 175.30 176.59 1q5y n HIS 123 N -0.66 -1.58 -2.37 -0.53 8.25 -1.26 -0.77 115.22 116.30 1q5y n HIS 123 Ca -0.05 0.25 -0.40 0.00 -0.26 0.00 0.00 57.72 57.26 1q5y n HIS 123 Cb 0.63 -3.42 -0.03 0.00 1.12 0.00 0.00 29.99 28.28 1q5y n HIS 123 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1q5y s GLY 124 N -2.37 3.00 -0.18 -1.41 0.00 -1.26 -4.13 107.32 100.97 1q5y s GLY 124 Ca 0.18 0.98 -0.11 0.00 0.00 0.00 0.00 44.72 45.77 1q5y s GLY 124 CO 0.22 1.57 0.45 -1.58 0.00 0.00 0.00 173.10 173.76 1q5y s HIS 125 N -1.22 -0.65 -0.18 1.90 2.46 -0.30 -4.99 115.29 112.31 1q5y s HIS 125 Ca 0.48 1.39 -0.04 0.00 0.47 0.00 0.00 55.06 57.36 1q5y s HIS 125 Cb -0.33 0.31 -0.02 0.00 -0.13 0.00 0.00 32.58 32.40 1q5y s HIS 125 CO 0.43 -0.36 -0.03 -1.17 -2.47 0.00 0.00 174.74 171.14 1q5y s LEU 126 N 1.32 3.16 -0.21 8.88 2.96 -1.26 -1.05 118.68 132.47 1q5y s LEU 126 Ca -0.09 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1q5y s LEU 126 Cb -0.07 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1q5y s LEU 126 CO -0.12 0.10 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.77 1q5y s GLN 127 N 0.76 2.89 -0.08 1.98 -0.21 0.14 -4.98 119.66 120.16 1q5y s GLN 127 Ca -0.01 -0.91 -0.11 0.00 0.02 0.00 0.00 55.36 54.34 1q5y s GLN 127 Cb -0.14 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 31.07 1q5y s GLN 127 CO 0.02 -0.30 0.27 0.00 -2.12 0.00 0.00 175.29 173.16 1q5y n LEU 129 N 2.21 2.67 -4.73 0.00 4.77 0.60 -4.99 117.00 117.54 1q5y n LEU 129 Ca -0.16 -5.15 -0.38 0.00 -0.03 0.00 0.00 56.01 50.28 1q5y n LEU 129 Cb 0.53 -0.50 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1q5y n LEU 129 CO 0.35 1.87 0.91 -0.81 -1.33 0.00 0.00 177.39 178.38 1q5y n PRO 130 N 1.71 1.36 -1.74 3.23 -0.04 -1.26 -1.84 135.00 136.42 1q5y n PRO 130 Ca 0.24 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.80 1q5y n PRO 130 Cb 0.39 -2.52 -0.01 0.00 -0.04 0.00 0.00 33.50 31.33 1q5y n PRO 130 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1q5y n LYS 131 N -1.42 2.47 0.00 0.54 0.00 -0.14 -4.89 118.16 114.72 1q5y n LYS 131 Ca 0.13 0.87 0.14 0.00 -0.00 0.00 0.00 58.31 59.45 1q5y n LYS 131 Cb 0.46 -2.55 0.57 0.00 -0.00 0.00 0.00 35.03 33.51 1q5y n LYS 131 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79