#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqe h SER 73 N 0.00 -0.18 -3.03 1.61 0.02 -2.03 -3.36 113.55 106.57 2yqe h SER 73 Ca 0.00 0.19 -0.37 0.00 -0.84 0.00 0.00 61.79 60.77 2yqe h SER 73 Cb 0.00 0.30 -0.38 0.00 0.14 0.00 0.00 62.40 62.45 2yqe h SER 73 CO 0.00 -0.15 -0.70 -0.94 -1.14 0.00 0.00 176.83 173.90 2yqe s SER 74 N -5.17 1.46 0.00 3.07 1.04 -1.26 -4.91 113.70 107.94 2yqe s SER 74 Ca -0.13 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2yqe s SER 74 Cb 0.23 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2yqe s SER 74 CO 0.76 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.30 2yqe n GLY 75 N 5.30 3.45 3.73 7.32 0.00 -1.26 -5.10 105.19 118.64 2yqe n GLY 75 Ca -0.05 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 2yqe n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yqe s SER 76 N 0.00 7.28 -1.34 1.61 0.15 -1.26 -3.78 113.70 116.36 2yqe s SER 76 Ca 0.00 1.54 -0.07 0.00 0.70 0.00 0.00 55.95 58.12 2yqe s SER 76 Cb 0.00 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 2yqe s SER 76 CO 0.00 -0.09 1.09 -0.24 1.20 0.00 0.00 173.24 175.21 2yqe n SER 77 N 3.19 -4.93 0.00 5.45 2.88 -1.26 -4.89 113.62 114.06 2yqe n SER 77 Ca 0.01 -0.61 -0.02 0.00 -1.33 0.00 0.00 58.87 56.92 2yqe n SER 77 Cb 0.50 -4.85 -0.01 0.00 -0.75 0.00 0.00 64.21 59.10 2yqe n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqe n GLY 78 N -1.75 -0.18 3.22 0.46 0.00 -1.25 -4.94 105.19 100.75 2yqe n GLY 78 Ca -0.07 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2yqe n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yqe s THR 79 N -2.00 4.51 0.10 2.61 2.01 -1.26 -4.81 115.64 116.80 2yqe s THR 79 Ca -0.07 -2.27 0.00 0.00 0.31 0.00 0.00 61.69 59.66 2yqe s THR 79 Cb 0.01 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2yqe s THR 79 CO 0.11 -0.88 0.00 0.54 -0.69 0.00 0.00 174.62 173.70 2yqe n ARG 80 N 4.30 0.00 0.06 4.92 5.12 -1.26 -4.86 116.66 124.94 2yqe n ARG 80 Ca 0.02 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.78 2yqe n ARG 80 Cb 0.42 -0.41 -0.14 0.00 -1.16 0.00 0.00 32.46 31.16 2yqe n ARG 80 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2yqe h VAL 81 N 0.00 1.18 -1.01 1.55 2.07 -2.01 -3.32 116.25 114.71 2yqe h VAL 81 Ca 0.00 -2.83 0.29 0.00 0.82 0.00 0.00 66.70 64.98 2yqe h VAL 81 Cb 0.20 2.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 2yqe h VAL 81 CO 0.00 0.81 0.96 0.11 0.02 0.00 0.00 177.57 179.47 2yqe h LYS 82 N 0.06 0.00 0.00 1.57 6.56 -1.89 0.13 116.57 122.99 2yqe h LYS 82 Ca -0.23 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.36 2yqe h LYS 82 Cb 2.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.66 2yqe h LYS 82 CO 0.16 0.00 -0.02 -0.07 -2.06 0.00 0.00 179.45 177.45 2yqe h LEU 83 N 0.00 0.00 -0.86 2.94 3.38 -1.89 -3.33 115.31 115.55 2yqe h LEU 83 Ca 0.48 -0.69 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2yqe h LEU 83 Cb 2.40 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 43.04 2yqe h LEU 83 CO -0.01 0.86 -0.50 -3.20 0.09 0.00 0.00 178.44 175.68 2yqe n ASN 84 N -4.66 -0.91 -0.39 -0.43 5.15 0.42 0.17 115.26 114.62 2yqe n ASN 84 Ca -0.07 1.63 0.33 0.00 -0.60 0.00 0.00 54.58 55.87 2yqe n ASN 84 Cb 0.34 -0.25 0.66 0.00 -0.53 0.00 0.00 39.78 40.00 2yqe n ASN 84 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2yqe h TYR 85 N 0.00 0.32 0.23 1.20 3.20 -1.68 0.47 116.97 120.71 2yqe h TYR 85 Ca 0.14 0.01 -0.33 0.00 3.14 0.00 0.00 58.73 61.68 2yqe h TYR 85 Cb 0.35 -0.09 0.03 0.00 1.54 0.00 0.00 36.73 38.56 2yqe h TYR 85 CO -0.98 -0.02 -1.51 -0.07 -1.64 0.00 0.00 178.16 173.93 2yqe h LEU 86 N 0.14 0.76 -0.80 2.82 3.38 0.16 -2.51 115.31 119.26 2yqe h LEU 86 Ca 0.66 -0.86 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2yqe h LEU 86 Cb 2.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 2yqe h LEU 86 CO -0.18 1.69 0.20 0.44 0.09 0.00 0.00 178.44 180.67 2yqe h ASP 87 N 0.13 1.04 0.21 -0.43 5.19 0.40 0.63 116.42 123.58 2yqe h ASP 87 Ca -0.26 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 2yqe h ASP 87 Cb 2.14 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 41.38 2yqe h ASP 87 CO 0.25 0.97 -0.10 1.56 -3.12 0.00 0.00 179.24 178.80 2yqe h GLN 88 N 1.06 -0.27 -0.41 3.56 1.08 -0.76 -2.16 115.11 117.21 2yqe h GLN 88 Ca 0.23 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.50 2yqe h GLN 88 Cb 0.32 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.76 2yqe h GLN 88 CO -0.00 0.10 0.11 0.97 -0.95 0.00 0.00 178.83 179.05 2yqe h ILE 89 N -0.92 0.82 -0.24 2.54 2.10 -1.47 -2.44 117.51 117.90 2yqe h ILE 89 Ca -0.03 -0.09 0.01 0.00 1.08 0.00 0.00 64.86 65.84 2yqe h ILE 89 Cb 0.49 0.55 -0.02 0.00 -1.09 0.00 0.00 36.82 36.75 2yqe h ILE 89 CO 0.05 0.05 0.13 0.00 -1.08 0.00 0.00 178.15 177.29 2yqe h ALA 90 N 1.29 0.29 -1.12 0.18 0.00 -0.97 -2.22 119.26 116.71 2yqe h ALA 90 Ca 0.20 0.00 0.35 0.00 0.00 0.00 0.00 54.91 55.46 2yqe h ALA 90 Cb 0.22 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.82 2yqe h ALA 90 CO -0.23 -0.27 0.69 -0.22 0.00 0.00 0.00 179.25 179.21 2yqe h LYS 91 N 0.27 0.24 0.07 0.00 3.64 -0.89 0.46 116.57 120.35 2yqe h LYS 91 Ca 0.10 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2yqe h LYS 91 Cb 0.01 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2yqe h LYS 91 CO -0.06 0.16 -0.03 0.35 -2.27 0.00 0.00 179.45 177.60 2yqe h PHE 92 N 0.24 -0.08 0.72 1.91 3.57 -1.28 -3.23 116.94 118.79 2yqe h PHE 92 Ca 0.74 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 62.20 2yqe h PHE 92 Cb 1.97 0.03 0.01 0.00 2.79 0.00 0.00 35.95 40.75 2yqe h PHE 92 CO -0.01 0.45 -0.34 -1.49 -2.23 0.00 0.00 178.31 174.68 2yqe h TRP 93 N -0.69 -0.89 -0.87 0.41 4.06 -0.55 -2.49 115.95 114.92 2yqe h TRP 93 Ca -0.01 -0.02 0.33 0.00 2.06 0.00 0.00 58.89 61.25 2yqe h TRP 93 Cb 0.57 0.30 -0.12 0.00 -1.00 0.00 0.00 29.16 28.91 2yqe h TRP 93 CO 0.11 -0.56 0.52 -0.85 -3.56 0.00 0.00 178.44 174.11 2yqe n GLU 94 N -4.76 -0.03 -0.03 0.49 0.28 0.14 0.18 120.64 116.91 2yqe n GLU 94 Ca -0.12 0.96 -0.13 0.00 -0.16 0.00 0.00 57.16 57.70 2yqe n GLU 94 Cb 0.38 -1.80 -0.10 0.00 1.43 0.00 0.00 31.44 31.34 2yqe n GLU 94 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2yqe h ILE 95 N 0.00 1.48 -0.85 3.84 2.04 -1.51 -3.26 117.51 119.25 2yqe h ILE 95 Ca 0.63 -1.48 0.21 0.00 1.00 0.00 0.00 64.86 65.23 2yqe h ILE 95 Cb 1.86 2.45 -0.14 0.00 -0.74 0.00 0.00 36.82 40.25 2yqe h ILE 95 CO -0.45 0.39 0.10 1.56 0.00 0.00 0.00 178.15 179.75 2yqe h GLN 96 N -0.56 0.13 0.00 2.37 1.08 0.24 -3.45 115.11 114.91 2yqe h GLN 96 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2yqe h GLN 96 Cb 0.65 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2yqe h GLN 96 CO 0.01 0.08 0.00 0.41 -0.95 0.00 0.00 178.83 178.38 2yqe n GLY 97 N -1.42 3.21 3.48 3.46 0.00 -0.94 -5.10 105.19 107.88 2yqe n GLY 97 Ca 0.18 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2yqe n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqe s SER 98 N 0.00 6.20 0.92 1.61 0.01 -1.26 -4.96 113.70 116.22 2yqe s SER 98 Ca 0.00 -0.69 -0.15 0.00 1.31 0.00 0.00 55.95 56.42 2yqe s SER 98 Cb 0.00 -2.23 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 2yqe s SER 98 CO 0.00 -0.62 -0.04 -1.20 0.41 0.00 0.00 173.24 171.79 2yqe n SER 99 N 5.66 -3.48 -4.70 2.44 7.64 -1.26 -4.15 113.62 115.78 2yqe n SER 99 Ca -0.07 0.33 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 2yqe n SER 99 Cb 0.47 -1.03 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2yqe n SER 99 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2yqe s LEU 100 N 2.60 4.31 -0.21 -3.43 2.96 -1.26 -4.86 118.68 118.78 2yqe s LEU 100 Ca 0.52 1.86 -0.01 0.00 -0.22 0.00 0.00 54.13 56.28 2yqe s LEU 100 Cb -0.23 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 42.95 2yqe s LEU 100 CO 0.72 -0.53 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.66 2yqe s LYS 101 N 1.83 1.19 -0.11 1.98 1.02 -1.26 -5.10 119.74 119.28 2yqe s LYS 101 Ca 0.56 -0.70 -0.30 0.00 0.02 0.00 0.00 55.97 55.56 2yqe s LYS 101 Cb -0.26 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2yqe s LYS 101 CO 0.24 -0.60 1.14 0.42 -0.92 0.00 0.00 175.35 175.63 2yqe s ILE 102 N 1.62 4.45 0.48 2.17 1.01 -1.26 -5.01 121.20 124.65 2yqe s ILE 102 Ca -0.03 1.75 -0.22 0.00 0.00 0.00 0.00 60.65 62.15 2yqe s ILE 102 Cb -0.18 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 2yqe s ILE 102 CO -0.07 -0.04 1.16 -2.16 0.00 0.00 0.00 174.94 173.83 2yqe s PRO 103 N 2.47 3.67 -0.39 2.79 0.04 -1.26 -4.93 135.00 137.39 2yqe s PRO 103 Ca 0.52 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 2yqe s PRO 103 Cb -0.21 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.02 2yqe s PRO 103 CO 0.18 -0.62 0.28 -0.80 0.04 0.00 0.00 177.00 176.08 2yqe s ASN 104 N -1.45 6.07 -0.05 6.66 -0.87 -1.26 -3.15 114.94 120.89 2yqe s ASN 104 Ca 0.66 -0.82 0.06 0.00 -1.57 0.00 0.00 52.86 51.19 2yqe s ASN 104 Cb -0.28 -2.14 -0.01 0.00 -0.02 0.00 0.00 41.25 38.80 2yqe s ASN 104 CO 0.33 -0.40 -0.25 -0.69 -2.57 0.00 0.00 177.10 173.52 2yqe s VAL 105 N 1.68 2.08 -1.04 1.60 1.01 -0.72 -4.72 120.40 120.29 2yqe s VAL 105 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 2yqe s VAL 105 Cb -0.19 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2yqe s VAL 105 CO 0.10 0.57 0.87 -0.62 0.00 0.00 0.00 175.10 176.02 2yqe n GLU 106 N 2.81 -5.77 -4.11 2.72 -0.58 -1.26 -2.48 120.64 111.96 2yqe n GLU 106 Ca -0.17 0.73 -0.34 0.00 -0.42 0.00 0.00 57.16 56.95 2yqe n GLU 106 Cb 0.52 -5.38 -0.05 0.00 -0.57 0.00 0.00 31.44 25.95 2yqe n GLU 106 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2yqe n ARG 107 N -3.74 -1.85 -3.55 3.49 1.85 -1.26 -4.86 116.66 106.74 2yqe n ARG 107 Ca -0.23 0.21 -0.11 0.00 -1.00 0.00 0.00 57.85 56.73 2yqe n ARG 107 Cb 0.64 -4.84 -0.04 0.00 -1.05 0.00 0.00 32.46 27.17 2yqe n ARG 107 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2yqe s LYS 108 N -6.79 0.74 0.58 2.89 2.20 -1.04 -5.15 119.74 113.17 2yqe s LYS 108 Ca 0.68 0.03 -0.18 0.00 -0.36 0.00 0.00 55.97 56.14 2yqe s LYS 108 Cb -0.39 0.34 -0.08 0.00 -1.51 0.00 0.00 37.83 36.20 2yqe s LYS 108 CO 0.83 -0.26 0.62 1.51 -0.36 0.00 0.00 175.35 177.69 2yqe n ILE 109 N 0.47 2.60 -3.18 5.43 3.06 -1.26 -1.75 119.36 124.73 2yqe n ILE 109 Ca -0.11 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.22 2yqe n ILE 109 Cb 0.59 -0.78 -0.07 0.00 0.54 0.00 0.00 39.64 39.92 2yqe n ILE 109 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2yqe s LEU 110 N 0.12 4.48 -0.93 9.51 0.20 -1.19 -4.69 118.68 126.19 2yqe s LEU 110 Ca 0.71 -0.24 -0.23 0.00 0.69 0.00 0.00 54.13 55.06 2yqe s LEU 110 Cb -0.44 -2.64 -0.14 0.00 -0.43 0.00 0.00 46.19 42.54 2yqe s LEU 110 CO 0.52 -0.64 1.91 -0.67 -0.29 0.00 0.00 176.35 177.19 2yqe n ASP 111 N 5.99 2.64 -0.04 3.68 -0.08 -1.26 -4.65 116.55 122.82 2yqe n ASP 111 Ca -0.03 -2.67 -0.08 0.00 -1.51 0.00 0.00 54.79 50.50 2yqe n ASP 111 Cb 0.48 -1.39 0.10 0.00 2.34 0.00 0.00 41.12 42.65 2yqe n ASP 111 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2yqe h LEU 112 N 16.29 0.68 0.37 -2.67 -0.00 -1.99 -2.56 115.31 125.44 2yqe h LEU 112 Ca 0.30 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2yqe h LEU 112 Cb 0.81 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.25 2yqe h LEU 112 CO 1.58 0.96 -0.52 0.22 -0.00 0.00 0.00 178.44 180.69 2yqe h TYR 113 N 0.55 -1.46 0.85 0.17 3.20 -1.92 -2.38 116.97 115.98 2yqe h TYR 113 Ca 0.06 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 2yqe h TYR 113 Cb 0.84 0.59 0.00 0.00 1.54 0.00 0.00 36.73 39.70 2yqe h TYR 113 CO 0.04 -0.65 -0.46 1.03 -1.64 0.00 0.00 178.16 176.48 2yqe h SER 114 N -0.93 -1.11 -0.64 -2.11 0.87 -1.96 -2.45 113.55 105.22 2yqe h SER 114 Ca -0.04 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2yqe h SER 114 Cb 0.84 0.31 -0.08 0.00 -0.44 0.00 0.00 62.40 63.02 2yqe h SER 114 CO -0.15 -0.74 -0.35 -0.11 -0.53 0.00 0.00 176.83 174.95 2yqe n LEU 115 N -5.62 -0.62 0.18 2.23 7.94 -0.96 0.40 117.00 120.54 2yqe n LEU 115 Ca -0.15 1.14 -0.14 0.00 -1.11 0.00 0.00 56.01 55.75 2yqe n LEU 115 Cb 0.49 -0.17 -0.07 0.00 0.53 0.00 0.00 43.42 44.20 2yqe n LEU 115 CO 0.38 -0.95 0.70 -1.28 -1.11 0.00 0.00 177.39 175.12 2yqe h SER 116 N 0.00 -0.68 -0.86 1.96 0.87 -1.36 -1.86 113.55 111.63 2yqe h SER 116 Ca 0.13 0.06 0.20 0.00 -1.23 0.00 0.00 61.79 60.95 2yqe h SER 116 Cb 0.29 0.23 -0.16 0.00 -0.44 0.00 0.00 62.40 62.33 2yqe h SER 116 CO -0.61 -0.37 -0.07 0.11 -0.53 0.00 0.00 176.83 175.35 2yqe h LYS 117 N -0.54 0.04 -0.15 2.24 1.79 0.45 0.17 116.57 120.56 2yqe h LYS 117 Ca -0.01 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2yqe h LYS 117 Cb 0.50 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2yqe h LYS 117 CO -0.05 0.03 0.08 0.82 -1.08 0.00 0.00 179.45 179.24 2yqe h ILE 118 N 0.04 1.11 0.06 1.86 2.04 -0.68 -1.53 117.51 120.42 2yqe h ILE 118 Ca 0.46 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 66.02 2yqe h ILE 118 Cb 0.82 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2yqe h ILE 118 CO -0.82 0.10 -0.38 0.58 0.00 0.00 0.00 178.15 177.64 2yqe h VAL 119 N 0.13 0.00 -0.19 1.67 2.07 0.11 -0.23 116.25 119.81 2yqe h VAL 119 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2yqe h VAL 119 Cb 0.09 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.80 2yqe h VAL 119 CO -0.01 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 177.74 2yqe h ILE 120 N -0.52 0.40 -0.63 4.57 2.04 -1.26 -2.06 117.51 120.06 2yqe h ILE 120 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2yqe h ILE 120 Cb 0.53 0.40 -0.12 0.00 -0.74 0.00 0.00 36.82 36.89 2yqe h ILE 120 CO -0.22 0.00 -0.21 -0.33 0.00 0.00 0.00 178.15 177.39 2yqe h GLU 121 N -0.28 -0.05 -0.49 2.37 4.39 -0.98 0.01 114.58 119.55 2yqe h GLU 121 Ca 0.12 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.92 2yqe h GLU 121 Cb 0.46 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.03 2yqe h GLU 121 CO -0.35 -0.03 -0.06 0.93 -1.16 0.00 0.00 179.01 178.34 2yqe h GLU 122 N -0.05 0.05 0.00 2.33 5.08 -0.34 -3.44 114.58 118.21 2yqe h GLU 122 Ca 0.29 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2yqe h GLU 122 Cb 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2yqe h GLU 122 CO -0.67 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 177.78 2yqe n GLY 123 N -1.33 0.00 0.69 -3.84 0.00 -0.07 -4.96 105.19 95.68 2yqe n GLY 123 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2yqe n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yqe n GLY 124 N 0.00 -3.09 0.12 -0.02 0.00 -0.86 -4.09 105.19 97.25 2yqe n GLY 124 Ca 0.00 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 2yqe n GLY 124 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2yqe h TYR 125 N 0.00 0.24 -0.67 1.61 5.03 -1.92 -3.24 116.97 118.01 2yqe h TYR 125 Ca 0.00 -0.17 0.02 0.00 2.58 0.00 0.00 58.73 61.15 2yqe h TYR 125 Cb 0.00 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.24 2yqe h TYR 125 CO 0.00 1.58 0.45 0.93 -1.32 0.00 0.00 178.16 179.80 2yqe h GLU 126 N -0.53 0.84 0.00 1.82 5.08 -1.98 -1.26 114.58 118.55 2yqe h GLU 126 Ca -0.35 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2yqe h GLU 126 Cb 1.61 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2yqe h GLU 126 CO -0.06 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 2yqe n ALA 127 N -2.44 -0.27 -0.42 3.43 0.00 -1.26 -1.59 120.51 117.97 2yqe n ALA 127 Ca 0.08 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.86 2yqe n ALA 127 Cb 0.08 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.17 2yqe n ALA 127 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2yqe h ILE 128 N 0.00 0.27 -0.40 0.00 -0.00 -1.58 0.82 117.51 116.62 2yqe h ILE 128 Ca 0.00 -0.05 -0.15 0.00 -0.00 0.00 0.00 64.86 64.66 2yqe h ILE 128 Cb 0.00 0.11 -0.01 0.00 -0.00 0.00 0.00 36.82 36.92 2yqe h ILE 128 CO 0.00 0.03 -0.35 0.00 -0.00 0.00 0.00 178.15 177.83 2yqe h LYS 130 N 0.76 1.14 -0.99 0.00 3.64 0.17 -2.34 116.57 118.94 2yqe h LYS 130 Ca 0.07 -0.24 -0.31 0.00 -1.27 0.00 0.00 60.65 58.91 2yqe h LYS 130 Cb 0.93 -0.17 -0.18 0.00 -0.41 0.00 0.00 32.23 32.40 2yqe h LYS 130 CO 0.09 0.96 0.39 -0.25 -2.27 0.00 0.00 179.45 178.37 2yqe n ASP 131 N -4.25 3.46 -3.56 4.20 8.00 -0.75 -4.87 116.55 118.78 2yqe n ASP 131 Ca 0.06 -2.96 -0.29 0.00 0.71 0.00 0.00 54.79 52.31 2yqe n ASP 131 Cb 0.22 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 2yqe n ASP 131 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2yqe n ARG 132 N -0.48 -0.81 0.24 -1.24 3.00 -0.88 -4.70 116.66 111.79 2yqe n ARG 132 Ca 0.36 0.09 0.09 0.00 -0.01 0.00 0.00 57.85 58.38 2yqe n ARG 132 Cb 1.21 -3.16 0.59 0.00 0.00 0.00 0.00 32.46 31.10 2yqe n ARG 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2yqe h ARG 133 N -0.59 0.00 -0.66 5.56 2.47 -0.54 -3.16 114.38 117.46 2yqe h ARG 133 Ca -0.41 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 58.53 2yqe h ARG 133 Cb 0.94 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.14 2yqe h ARG 133 CO 0.60 0.18 0.14 0.91 0.56 0.00 0.00 179.97 182.37 2yqe n TRP 134 N -3.88 0.55 0.24 3.04 5.03 -1.26 0.46 117.44 121.62 2yqe n TRP 134 Ca -0.02 0.79 -0.15 0.00 3.03 0.00 0.00 57.50 61.15 2yqe n TRP 134 Cb 0.28 -1.08 -0.08 0.00 -1.03 0.00 0.00 31.31 29.40 2yqe n TRP 134 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2yqe h ALA 135 N 1.32 -1.09 -0.52 6.99 0.00 -1.93 0.46 119.26 124.50 2yqe h ALA 135 Ca 0.46 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2yqe h ALA 135 Cb 1.07 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2yqe h ALA 135 CO -0.58 -1.12 0.32 0.00 0.00 0.00 0.00 179.25 177.87 2yqe h ARG 136 N -0.84 0.62 -1.00 0.00 -0.00 -0.23 -2.11 114.38 110.82 2yqe h ARG 136 Ca -0.05 -0.04 0.13 0.00 -0.50 0.00 0.00 59.98 59.52 2yqe h ARG 136 Cb 0.73 -0.14 -0.09 0.00 0.00 0.00 0.00 29.97 30.48 2yqe h ARG 136 CO -0.06 0.41 0.63 0.28 0.00 0.00 0.00 179.97 181.23 2yqe h VAL 137 N 0.64 0.88 0.22 2.04 2.07 -0.71 0.66 116.25 122.04 2yqe h VAL 137 Ca 0.21 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2yqe h VAL 137 Cb 0.00 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.63 2yqe h VAL 137 CO -0.08 0.17 -0.10 0.00 0.02 0.00 0.00 177.57 177.57 2yqe h ALA 138 N 1.56 -0.29 -0.65 1.67 0.00 -0.26 -1.81 119.26 119.48 2yqe h ALA 138 Ca 0.51 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.29 2yqe h ALA 138 Cb 0.58 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2yqe h ALA 138 CO -0.28 -0.53 0.43 0.37 0.00 0.00 0.00 179.25 179.24 2yqe h GLN 139 N -0.55 0.75 0.00 0.00 4.15 -0.93 -0.78 115.11 117.74 2yqe h GLN 139 Ca -0.03 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 2yqe h GLN 139 Cb 0.41 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2yqe h GLN 139 CO 0.05 0.50 -0.38 0.00 -1.93 0.00 0.00 178.83 177.06 2yqe h ARG 140 N 0.78 0.00 -0.02 1.69 2.47 -0.77 -2.41 114.38 116.12 2yqe h ARG 140 Ca 0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2yqe h ARG 140 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2yqe h ARG 140 CO -0.07 0.38 0.00 -0.11 0.56 0.00 0.00 179.97 180.73 2yqe n LEU 141 N -3.80 0.02 -2.96 3.04 -0.00 -0.31 -4.84 117.00 108.15 2yqe n LEU 141 Ca -0.01 -0.01 -0.20 0.00 -0.00 0.00 0.00 56.01 55.79 2yqe n LEU 141 Cb 0.45 -0.01 0.06 0.00 -0.00 0.00 0.00 43.42 43.92 2yqe n LEU 141 CO 0.38 0.01 0.14 1.41 -0.00 0.00 0.00 177.39 179.32 2yqe n HIS 142 N -0.49 -2.21 -2.95 1.96 8.25 -0.90 -5.00 115.22 113.87 2yqe n HIS 142 Ca 0.00 0.73 -0.27 0.00 -0.26 0.00 0.00 57.72 57.92 2yqe n HIS 142 Cb 0.01 -4.30 -0.01 0.00 1.12 0.00 0.00 29.99 26.80 2yqe n HIS 142 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2yqe s TYR 143 N -3.21 3.52 -0.25 4.41 2.02 -1.13 -5.02 117.35 117.69 2yqe s TYR 143 Ca 0.42 0.69 -0.29 0.00 -0.37 0.00 0.00 57.07 57.53 2yqe s TYR 143 Cb -0.19 -2.18 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 2yqe s TYR 143 CO 0.52 -0.09 1.63 -1.25 -1.57 0.00 0.00 175.55 174.79 2yqe s PRO 144 N -4.36 3.71 0.16 -1.71 0.04 -1.26 -4.79 135.00 126.79 2yqe s PRO 144 Ca 0.45 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 2yqe s PRO 144 Cb -0.10 -4.06 -0.08 0.00 0.04 0.00 0.00 34.50 30.30 2yqe s PRO 144 CO 0.39 -1.40 1.33 -1.25 0.04 0.00 0.00 177.00 176.11 2yqe s PRO 145 N 4.85 4.37 0.00 0.56 0.04 -1.26 -4.13 135.00 139.43 2yqe s PRO 145 Ca 0.72 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.80 2yqe s PRO 145 Cb -0.24 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2yqe s PRO 145 CO 0.30 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.43 2yqe n GLY 146 N 2.84 2.45 3.77 0.56 0.00 -1.26 -5.10 105.19 108.45 2yqe n GLY 146 Ca 0.08 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 2yqe n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yqe s LYS 147 N 0.00 4.42 -0.86 1.61 1.02 -1.26 -4.87 119.74 119.81 2yqe s LYS 147 Ca 0.00 1.99 -0.26 0.00 0.02 0.00 0.00 55.97 57.72 2yqe s LYS 147 Cb 0.00 -3.06 -0.21 0.00 -0.52 0.00 0.00 37.83 34.04 2yqe s LYS 147 CO 0.00 -0.05 1.93 -1.71 -0.92 0.00 0.00 175.35 174.60 2yqe n ASN 148 N 0.84 1.98 0.14 2.83 5.15 -1.26 -4.59 115.26 120.35 2yqe n ASN 148 Ca 0.00 -2.58 -0.25 0.00 -0.60 0.00 0.00 54.58 51.15 2yqe n ASN 148 Cb 0.44 -1.40 -0.16 0.00 -0.53 0.00 0.00 39.78 38.13 2yqe n ASN 148 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2yqe h ILE 149 N 5.86 1.26 -0.80 -1.44 2.04 -1.90 -3.35 117.51 119.17 2yqe h ILE 149 Ca 0.18 -2.70 0.15 0.00 1.00 0.00 0.00 64.86 63.50 2yqe h ILE 149 Cb 0.87 3.02 -0.14 0.00 -0.74 0.00 0.00 36.82 39.83 2yqe h ILE 149 CO 1.42 0.82 -0.24 0.61 0.00 0.00 0.00 178.15 180.76 2yqe n GLY 150 N 1.73 -1.44 0.30 5.37 0.00 -1.26 0.11 105.19 109.99 2yqe n GLY 150 Ca -0.17 0.87 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 2yqe n GLY 150 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yqe h SER 151 N 0.00 -0.71 -0.69 1.61 0.87 -1.97 -2.33 113.55 110.33 2yqe h SER 151 Ca 0.35 0.06 0.13 0.00 -1.23 0.00 0.00 61.79 61.11 2yqe h SER 151 Cb 0.55 0.24 -0.13 0.00 -0.44 0.00 0.00 62.40 62.62 2yqe h SER 151 CO -0.81 -0.38 -0.22 0.25 -0.53 0.00 0.00 176.83 175.13 2yqe h LEU 152 N -0.56 -0.81 0.16 2.23 6.46 -0.49 -2.02 115.31 120.27 2yqe h LEU 152 Ca -0.01 0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2yqe h LEU 152 Cb 0.52 0.49 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 2yqe h LEU 152 CO -0.06 -0.26 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.23 2yqe h LEU 153 N -0.04 -0.57 -0.87 2.25 3.38 -1.05 -1.56 115.31 116.85 2yqe h LEU 153 Ca 0.31 0.05 0.33 0.00 0.09 0.00 0.00 57.88 58.67 2yqe h LEU 153 Cb 0.53 0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.32 2yqe h LEU 153 CO -0.73 -0.25 0.36 -1.14 0.09 0.00 0.00 178.44 176.77 2yqe n ARG 154 N -3.57 -0.06 0.05 1.13 0.63 -0.90 -0.75 116.66 113.19 2yqe n ARG 154 Ca -0.04 1.22 -0.02 0.00 -0.92 0.00 0.00 57.85 58.09 2yqe n ARG 154 Cb 0.18 -2.13 -0.01 0.00 0.45 0.00 0.00 32.46 30.95 2yqe n ARG 154 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2yqe h SER 155 N 0.00 -0.11 -1.21 6.15 0.02 -0.74 0.40 113.55 118.06 2yqe h SER 155 Ca 0.69 0.00 0.40 0.00 -0.84 0.00 0.00 61.79 62.04 2yqe h SER 155 Cb 1.75 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 64.18 2yqe h SER 155 CO -0.70 -0.06 0.76 0.45 -1.14 0.00 0.00 176.83 176.13 2yqe h HIS 156 N -0.16 0.62 -0.16 3.45 3.86 -0.14 1.13 115.15 123.75 2yqe h HIS 156 Ca -0.01 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 2yqe h HIS 156 Cb 0.10 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2yqe h HIS 156 CO 0.15 -0.19 -0.37 -0.92 0.86 0.00 0.00 177.93 177.45 2yqe h TYR 157 N 0.15 0.68 0.00 2.45 5.03 -0.89 0.83 116.97 125.22 2yqe h TYR 157 Ca 0.78 -0.26 0.00 0.00 2.58 0.00 0.00 58.73 61.84 2yqe h TYR 157 Cb 2.29 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 40.44 2yqe h TYR 157 CO -0.01 1.00 0.00 0.39 -1.32 0.00 0.00 178.16 178.22 2yqe n GLU 158 N -4.31 0.13 -0.07 1.82 1.02 0.21 0.13 120.64 119.58 2yqe n GLU 158 Ca -0.07 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.01 2yqe n GLU 158 Cb 0.52 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 2yqe n GLU 158 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2yqe n ARG 159 N -1.43 1.71 -0.01 3.49 3.00 0.33 -4.36 116.66 119.39 2yqe n ARG 159 Ca 0.09 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.90 2yqe n ARG 159 Cb 0.31 -1.35 -0.01 0.00 0.00 0.00 0.00 32.46 31.40 2yqe n ARG 159 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2yqe n ILE 160 N -2.52 1.25 0.34 5.15 5.41 0.29 -4.54 119.36 124.73 2yqe n ILE 160 Ca -0.23 0.27 0.08 0.00 1.00 0.00 0.00 62.75 63.87 2yqe n ILE 160 Cb 0.94 -1.84 0.34 0.00 -0.71 0.00 0.00 39.64 38.38 2yqe n ILE 160 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2yqe n ILE 161 N -3.80 1.13 0.10 1.39 5.41 0.15 -1.86 119.36 121.88 2yqe n ILE 161 Ca -0.06 0.35 -0.05 0.00 1.00 0.00 0.00 62.75 63.98 2yqe n ILE 161 Cb 0.23 -1.23 -0.02 0.00 -0.71 0.00 0.00 39.64 37.91 2yqe n ILE 161 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2yqe h TYR 162 N 0.00 -0.31 0.00 1.39 3.20 0.91 -2.90 116.97 119.26 2yqe h TYR 162 Ca 0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2yqe h TYR 162 Cb 0.21 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2yqe h TYR 162 CO 0.00 -0.19 -0.38 -1.00 -1.64 0.00 0.00 178.16 174.95 2yqe h PRO 163 N -0.93 0.00 -0.40 1.82 0.13 -1.78 -2.41 132.00 128.43 2yqe h PRO 163 Ca -0.03 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 2yqe h PRO 163 Cb 0.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 2yqe h PRO 163 CO 0.06 0.38 -0.17 -0.92 -0.23 0.00 0.00 178.00 177.12 2yqe h TYR 164 N 0.00 0.94 0.35 1.56 3.20 -1.50 -1.96 116.97 119.57 2yqe h TYR 164 Ca -0.00 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.62 2yqe h TYR 164 Cb 0.78 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.83 2yqe h TYR 164 CO 0.00 0.98 -0.17 0.93 -1.64 0.00 0.00 178.16 178.26 2yqe h GLU 165 N 0.63 -0.46 -0.89 1.82 5.08 -1.43 -2.07 114.58 117.27 2yqe h GLU 165 Ca 0.09 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.71 2yqe h GLU 165 Cb 0.72 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.94 2yqe h GLU 165 CO 0.05 -0.30 0.35 0.00 -1.00 0.00 0.00 179.01 178.11 2yqe h MET 166 N -1.10 0.32 -0.33 2.33 -0.00 -1.54 0.31 114.93 114.92 2yqe h MET 166 Ca -0.05 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.70 59.58 2yqe h MET 166 Cb 0.36 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.88 2yqe h MET 166 CO 0.08 0.21 0.01 0.35 -0.00 0.00 0.00 176.91 177.56 2yqe h PHE 167 N 0.33 0.62 -0.93 -0.10 3.04 -1.43 -3.01 116.94 115.47 2yqe h PHE 167 Ca 0.56 -0.10 -0.60 0.00 3.98 0.00 0.00 57.97 61.81 2yqe h PHE 167 Cb 1.10 -0.16 -0.27 0.00 2.56 0.00 0.00 35.95 39.18 2yqe h PHE 167 CO -0.17 0.68 0.78 1.04 -2.02 0.00 0.00 178.31 178.62 2yqe n GLN 168 N -4.55 2.49 0.02 1.11 6.02 0.31 -4.56 117.38 118.22 2yqe n GLN 168 Ca -0.02 -3.00 -0.09 0.00 -0.01 0.00 0.00 57.00 53.89 2yqe n GLN 168 Cb 0.26 -2.17 -0.06 0.00 1.02 0.00 0.00 30.24 29.28 2yqe n GLN 168 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2yqe h SER 169 N 1.73 -0.14 0.00 1.08 0.87 -0.39 -3.47 113.55 113.24 2yqe h SER 169 Ca 0.57 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2yqe h SER 169 Cb 1.19 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2yqe h SER 169 CO 1.39 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 178.77 2yqe n GLY 170 N 1.03 3.21 0.00 5.77 0.00 -1.26 -5.09 105.19 108.85 2yqe n GLY 170 Ca -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2yqe n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32