#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qac n VAL 62 N 0.00 1.16 -1.43 0.44 3.14 -1.26 -5.00 118.33 115.38 2qac n VAL 62 Ca 0.00 -0.58 -0.31 0.00 -2.96 0.00 0.00 64.34 60.49 2qac n VAL 62 Cb 0.00 -0.88 0.08 0.00 -1.06 0.00 0.00 33.84 31.98 2qac n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qac s ALA 63 N -2.41 2.33 -1.35 1.55 0.00 -1.26 -4.93 121.76 115.70 2qac s ALA 63 Ca -0.18 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 2qac s ALA 63 Cb 0.06 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 20.02 2qac s ALA 63 CO 0.58 -1.62 2.02 -0.40 0.00 0.00 0.00 175.76 176.34 2qac n ASP 64 N -3.40 4.16 0.01 0.00 5.75 -1.26 -4.64 116.55 117.17 2qac n ASP 64 Ca 0.08 -2.85 -0.07 0.00 -0.01 0.00 0.00 54.79 51.94 2qac n ASP 64 Cb 0.54 -1.66 -0.12 0.00 -1.03 0.00 0.00 41.12 38.84 2qac n ASP 64 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2qac h ILE 65 N 4.70 1.00 -0.39 2.12 2.04 -1.92 -3.14 117.51 121.92 2qac h ILE 65 Ca 0.50 -2.76 -0.11 0.00 1.00 0.00 0.00 64.86 63.49 2qac h ILE 65 Cb 0.74 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 2qac h ILE 65 CO 1.71 0.57 -0.18 0.06 0.00 0.00 0.00 178.15 180.30 2qac h GLN 66 N 0.00 0.75 -0.17 2.37 3.07 -1.98 -1.41 115.11 117.74 2qac h GLN 66 Ca -0.20 -0.28 -0.17 0.00 0.09 0.00 0.00 58.65 58.09 2qac h GLN 66 Cb 1.89 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 29.40 2qac h GLN 66 CO 0.09 0.88 -0.60 0.37 0.09 0.00 0.00 178.83 179.66 2qac h GLN 67 N 0.66 0.56 -0.16 0.06 4.15 -1.96 -2.37 115.11 116.05 2qac h GLN 67 Ca 0.10 -0.38 0.03 0.00 0.77 0.00 0.00 58.65 59.17 2qac h GLN 67 Cb 0.68 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 2qac h GLN 67 CO 0.05 0.99 -0.04 1.25 -1.93 0.00 0.00 178.83 179.16 2qac h LEU 68 N 0.42 -0.15 0.00 -2.39 5.85 -1.47 -2.53 115.31 115.05 2qac h LEU 68 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2qac h LEU 68 Cb 1.15 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2qac h LEU 68 CO 0.11 -0.05 0.00 -0.62 -0.34 0.00 0.00 178.44 177.54 2qac n GLU 69 N -5.17 0.67 -0.03 1.25 1.02 -0.54 -0.15 120.64 117.68 2qac n GLU 69 Ca -0.03 0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 2qac n GLU 69 Cb 0.11 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.88 2qac n GLU 69 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2qac n GLU 70 N -1.08 0.66 -0.05 3.49 1.02 -0.91 -4.53 120.64 119.24 2qac n GLU 70 Ca 0.17 0.25 -0.06 0.00 -0.02 0.00 0.00 57.16 57.50 2qac n GLU 70 Cb 0.12 -1.74 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 2qac n GLU 70 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2qac h LYS 71 N 0.01 -0.01 -6.41 3.49 1.57 -0.85 -3.46 116.57 110.90 2qac h LYS 71 Ca -0.34 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.94 2qac h LYS 71 Cb 2.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.36 2qac h LYS 71 CO 0.07 0.37 -0.23 0.14 -0.57 0.00 0.00 179.45 179.23 2qac s VAL 72 N -1.87 5.12 -0.16 0.50 -7.23 0.79 -5.08 120.40 112.47 2qac s VAL 72 Ca -0.08 -0.35 -0.25 0.00 -1.81 0.00 0.00 61.98 59.49 2qac s VAL 72 Cb -0.01 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.11 2qac s VAL 72 CO 0.27 -0.39 0.82 -0.62 -0.31 0.00 0.00 175.10 174.87 2qac s ASP 73 N -3.61 6.95 0.34 4.85 2.15 -1.26 -4.27 116.67 121.82 2qac s ASP 73 Ca 0.40 1.17 0.09 0.00 0.43 0.00 0.00 52.55 54.64 2qac s ASP 73 Cb -0.10 -2.45 0.81 0.00 -0.30 0.00 0.00 42.92 40.88 2qac s ASP 73 CO 0.32 -0.38 1.83 -0.33 -0.17 0.00 0.00 175.17 176.45 2qac h GLU 74 N 7.30 0.68 -0.34 4.34 5.08 -1.94 -1.20 114.58 128.50 2qac h GLU 74 Ca -0.30 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2qac h GLU 74 Cb 1.14 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2qac h GLU 74 CO 0.83 0.45 0.20 0.66 -1.00 0.00 0.00 179.01 180.15 2qac h SER 75 N 0.70 0.41 -0.46 1.42 4.64 -1.98 0.44 113.55 118.72 2qac h SER 75 Ca 0.50 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.74 2qac h SER 75 Cb 0.85 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2qac h SER 75 CO -0.26 0.35 0.17 0.44 -0.87 0.00 0.00 176.83 176.65 2qac h ASP 76 N 0.43 0.64 -0.54 4.97 3.32 -1.78 0.23 116.42 123.68 2qac h ASP 76 Ca 0.12 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 57.07 2qac h ASP 76 Cb 0.02 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 2qac h ASP 76 CO -0.02 0.64 0.20 0.58 -1.72 0.00 0.00 179.24 178.92 2qac h VAL 77 N 0.59 0.81 -0.16 -1.35 2.07 -1.01 0.69 116.25 117.89 2qac h VAL 77 Ca 0.15 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 2qac h VAL 77 Cb 0.21 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2qac h VAL 77 CO -0.01 0.07 -0.13 -0.09 0.02 0.00 0.00 177.57 177.43 2qac h ARG 78 N 0.38 0.38 -0.55 1.57 9.65 -0.67 -2.35 114.38 122.79 2qac h ARG 78 Ca 0.27 -0.19 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2qac h ARG 78 Cb 0.30 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 2qac h ARG 78 CO -0.27 0.73 0.24 0.82 2.80 0.00 0.00 179.97 184.29 2qac h ILE 79 N 0.03 1.21 -0.39 1.20 2.04 -0.31 -1.77 117.51 119.52 2qac h ILE 79 Ca 0.03 -0.63 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 2qac h ILE 79 Cb 0.65 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2qac h ILE 79 CO 0.03 0.25 -0.09 1.88 0.00 0.00 0.00 178.15 180.22 2qac h TYR 80 N 0.74 0.72 -0.02 1.37 0.05 -0.89 -1.36 116.97 117.59 2qac h TYR 80 Ca 0.19 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2qac h TYR 80 Cb 0.16 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 2qac h TYR 80 CO 0.00 0.74 -0.01 0.35 -1.05 0.00 0.00 178.16 178.19 2qac h PHE 81 N 0.62 -0.01 -0.20 4.88 3.57 -1.14 -2.94 116.94 121.72 2qac h PHE 81 Ca 0.11 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2qac h PHE 81 Cb 0.52 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2qac h PHE 81 CO 0.02 -0.01 -0.05 -0.91 -2.23 0.00 0.00 178.31 175.13 2qac h ASN 82 N 0.00 0.27 -0.69 0.41 2.35 -0.98 0.19 115.58 117.13 2qac h ASN 82 Ca 0.01 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2qac h ASN 82 Cb 0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2qac h ASN 82 CO -0.03 0.37 0.46 -0.33 -1.65 0.00 0.00 177.43 176.25 2qac h GLU 83 N 0.29 0.85 -0.00 0.81 5.08 -1.10 -3.30 114.58 117.20 2qac h GLU 83 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2qac h GLU 83 Cb 0.28 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2qac h GLU 83 CO 0.01 0.56 -0.43 1.63 -1.00 0.00 0.00 179.01 179.78 2qac n LYS 84 N -4.45 3.67 -2.07 2.33 4.76 -0.62 -5.04 118.16 116.74 2qac n LYS 84 Ca 0.08 -0.06 -0.33 0.00 -2.87 0.00 0.00 58.31 55.14 2qac n LYS 84 Cb 0.09 -0.97 0.01 0.00 -1.84 0.00 0.00 35.03 32.33 2qac n LYS 84 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2qac s SER 85 N -1.86 5.72 -0.08 4.39 1.04 0.57 -4.75 113.70 118.74 2qac s SER 85 Ca 0.04 1.90 -0.03 0.00 0.48 0.00 0.00 55.95 58.33 2qac s SER 85 Cb 0.07 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.69 2qac s SER 85 CO 0.38 -1.21 0.16 -0.55 0.98 0.00 0.00 173.24 173.00 2qac s SER 86 N -2.56 0.04 -1.65 7.02 0.15 0.10 -4.84 113.70 111.97 2qac s SER 86 Ca 0.65 0.34 -0.01 0.00 0.70 0.00 0.00 55.95 57.63 2qac s SER 86 Cb -0.18 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2qac s SER 86 CO 0.35 -0.17 0.13 0.61 1.20 0.00 0.00 173.24 175.36 2qac n GLY 87 N 4.45 -0.50 2.24 9.45 0.00 -1.26 -1.75 105.19 117.81 2qac n GLY 87 Ca -0.22 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 2qac n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qac n GLY 88 N -1.10 0.66 3.19 -0.02 0.00 -1.26 -5.02 105.19 101.64 2qac n GLY 88 Ca -0.20 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 2qac n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qac s LYS 89 N -1.75 0.88 -0.02 1.61 1.02 -0.72 -4.28 119.74 116.48 2qac s LYS 89 Ca 0.00 -1.23 0.07 0.00 0.02 0.00 0.00 55.97 54.83 2qac s LYS 89 Cb 0.00 -0.51 -0.02 0.00 -0.52 0.00 0.00 37.83 36.79 2qac s LYS 89 CO 0.00 0.07 -0.22 -1.50 -0.92 0.00 0.00 175.35 172.78 2qac s ILE 90 N -2.74 1.74 0.68 2.17 2.07 0.27 0.02 121.20 125.42 2qac s ILE 90 Ca 0.08 -0.94 -0.15 0.00 -1.41 0.00 0.00 60.65 58.24 2qac s ILE 90 Cb -0.01 -1.45 0.01 0.00 0.13 0.00 0.00 42.46 41.14 2qac s ILE 90 CO -0.00 0.49 1.12 -0.94 -1.91 0.00 0.00 174.94 173.70 2qac s SER 91 N -0.46 4.93 0.23 4.50 1.04 -1.26 0.16 113.70 122.85 2qac s SER 91 Ca 0.07 2.04 -0.08 0.00 0.48 0.00 0.00 55.95 58.46 2qac s SER 91 Cb -0.09 -2.56 0.23 0.00 0.10 0.00 0.00 66.02 63.70 2qac s SER 91 CO -0.00 -1.75 1.90 0.40 0.98 0.00 0.00 173.24 174.76 2qac h ILE 92 N -0.09 1.20 -0.47 -1.02 2.04 -1.62 0.72 117.51 118.27 2qac h ILE 92 Ca -0.47 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.03 2qac h ILE 92 Cb 1.25 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2qac h ILE 92 CO 0.53 0.21 0.23 0.44 0.00 0.00 0.00 178.15 179.56 2qac h ASP 93 N 1.17 0.32 0.40 1.72 3.32 -1.92 0.17 116.42 121.59 2qac h ASP 93 Ca 0.33 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.29 2qac h ASP 93 Cb -0.09 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2qac h ASP 93 CO -0.08 0.22 -0.53 0.78 -1.72 0.00 0.00 179.24 177.90 2qac h ASN 94 N 0.45 0.16 -0.58 6.45 2.35 -1.85 -1.38 115.58 121.18 2qac h ASN 94 Ca 0.21 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2qac h ASN 94 Cb 0.13 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2qac h ASN 94 CO -0.16 0.66 0.29 0.00 -1.65 0.00 0.00 177.43 176.58 2qac h ALA 95 N 1.34 0.74 -0.47 -0.83 0.00 -0.15 -0.82 119.26 119.07 2qac h ALA 95 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2qac h ALA 95 Cb 0.98 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2qac h ALA 95 CO 0.08 0.29 -0.16 0.77 0.00 0.00 0.00 179.25 180.23 2qac h SER 96 N 0.78 0.90 -0.14 0.00 0.02 -0.52 0.16 113.55 114.76 2qac h SER 96 Ca 0.20 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2qac h SER 96 Cb 0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2qac h SER 96 CO -0.03 1.05 0.01 0.22 -1.14 0.00 0.00 176.83 176.94 2qac h TYR 97 N 0.79 0.02 -0.67 3.45 3.20 -1.06 -1.17 116.97 121.54 2qac h TYR 97 Ca 0.12 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 2qac h TYR 97 Cb 0.69 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 2qac h TYR 97 CO 0.04 -0.00 0.44 -0.91 -1.64 0.00 0.00 178.16 176.09 2qac h ASN 98 N 0.06 0.76 -0.61 -2.11 4.21 -0.87 -0.40 115.58 116.62 2qac h ASN 98 Ca 0.06 -0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.64 2qac h ASN 98 Cb 0.07 -0.19 -0.06 0.00 -1.12 0.00 0.00 38.32 37.02 2qac h ASN 98 CO -0.10 0.55 0.27 0.00 -1.29 0.00 0.00 177.43 176.86 2qac h ALA 99 N 1.25 0.80 -0.65 -0.83 0.00 -0.67 -0.75 119.26 118.41 2qac h ALA 99 Ca 0.25 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2qac h ALA 99 Cb -0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2qac h ALA 99 CO -0.06 -0.13 0.08 0.00 0.00 0.00 0.00 179.25 179.15 2qac h ARG 100 N 0.48 1.10 -0.32 0.00 3.08 -0.55 0.59 114.38 118.76 2qac h ARG 100 Ca 0.30 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2qac h ARG 100 Cb 0.31 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2qac h ARG 100 CO -0.26 1.02 0.16 0.87 -1.07 0.00 0.00 179.97 180.69 2qac h LYS 101 N 1.01 0.43 0.00 0.04 1.57 -0.41 -1.22 116.57 117.99 2qac h LYS 101 Ca 0.20 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2qac h LYS 101 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2qac h LYS 101 CO 0.02 0.33 0.00 1.28 -0.57 0.00 0.00 179.45 180.51 2qac n LEU 102 N -4.44 0.00 0.00 2.94 4.77 -0.35 -4.89 117.00 115.03 2qac n LEU 102 Ca 0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2qac n LEU 102 Cb 0.11 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2qac n LEU 102 CO 0.36 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2qac n GLY 103 N 0.99 0.77 3.96 -0.72 0.00 -0.46 -4.94 105.19 104.79 2qac n GLY 103 Ca 0.15 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2qac n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qac s LEU 104 N 0.00 3.73 -0.50 0.99 1.43 0.15 -4.98 118.68 119.50 2qac s LEU 104 Ca 0.00 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2qac s LEU 104 Cb 0.00 -3.06 0.17 0.00 0.03 0.00 0.00 46.19 43.33 2qac s LEU 104 CO 0.00 -0.63 0.39 0.00 0.23 0.00 0.00 176.35 176.34 2qac s ALA 105 N -2.46 2.15 0.46 4.21 0.00 -1.24 -3.64 121.76 121.23 2qac s ALA 105 Ca 0.47 -2.89 -0.23 0.00 0.00 0.00 0.00 51.96 49.31 2qac s ALA 105 Cb -0.10 -1.77 -0.07 0.00 0.00 0.00 0.00 23.12 21.18 2qac s ALA 105 CO 0.36 -2.01 1.20 -1.25 0.00 0.00 0.00 175.76 174.06 2qac s PRO 106 N -0.42 3.74 0.55 0.00 0.04 -1.26 -4.97 135.00 132.68 2qac s PRO 106 Ca 0.31 1.87 0.06 0.00 0.04 0.00 0.00 61.00 63.28 2qac s PRO 106 Cb 0.02 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 32.14 2qac s PRO 106 CO -0.19 -0.59 0.44 -1.54 0.04 0.00 0.00 177.00 175.15 2qac s SER 107 N -1.22 4.66 0.45 6.66 1.04 -1.26 -5.01 113.70 119.02 2qac s SER 107 Ca 0.63 -1.22 0.12 0.00 0.48 0.00 0.00 55.95 55.96 2qac s SER 107 Cb -0.31 0.43 1.01 0.00 0.10 0.00 0.00 66.02 67.24 2qac s SER 107 CO 0.38 -1.13 2.04 0.77 0.98 0.00 0.00 173.24 176.28 2qac h SER 108 N 0.70 0.15 -0.58 7.02 4.64 -1.98 -2.23 113.55 121.26 2qac h SER 108 Ca -0.36 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2qac h SER 108 Cb 1.30 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 2qac h SER 108 CO 0.56 0.20 0.37 0.40 -0.87 0.00 0.00 176.83 177.49 2qac h ILE 109 N 0.16 1.17 -0.26 0.95 1.08 -1.99 0.47 117.51 119.10 2qac h ILE 109 Ca 0.04 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.12 2qac h ILE 109 Cb 0.16 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 2qac h ILE 109 CO 0.01 0.17 -0.03 0.44 -0.69 0.00 0.00 178.15 178.04 2qac h ASP 110 N 0.79 0.47 -0.34 1.72 3.32 -1.81 -1.38 116.42 119.19 2qac h ASP 110 Ca 0.21 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2qac h ASP 110 Cb -0.05 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2qac h ASP 110 CO -0.04 0.69 0.19 -0.33 -1.72 0.00 0.00 179.24 178.02 2qac h GLU 111 N 0.23 0.47 -0.72 3.56 5.08 -1.28 -2.69 114.58 119.23 2qac h GLU 111 Ca 0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2qac h GLU 111 Cb 0.47 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2qac h GLU 111 CO 0.02 0.39 0.21 0.87 -1.00 0.00 0.00 179.01 179.50 2qac h LYS 112 N 0.42 1.11 -0.16 2.33 1.57 -0.84 -0.09 116.57 120.92 2qac h LYS 112 Ca 0.12 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2qac h LYS 112 Cb 0.06 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2qac h LYS 112 CO -0.02 0.95 -0.10 0.87 -0.57 0.00 0.00 179.45 180.58 2qac h LYS 113 N 1.07 -0.09 -0.23 3.15 1.57 -1.13 -0.23 116.57 120.67 2qac h LYS 113 Ca 0.23 0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.83 2qac h LYS 113 Cb 0.31 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2qac h LYS 113 CO -0.01 -0.06 -0.60 0.97 -0.57 0.00 0.00 179.45 179.18 2qac h ILE 114 N -0.10 1.29 -0.83 1.86 6.09 -1.26 -2.45 117.51 122.10 2qac h ILE 114 Ca 0.10 -1.81 -0.00 0.00 -1.37 0.00 0.00 64.86 61.77 2qac h ILE 114 Cb 0.24 1.74 -0.04 0.00 0.47 0.00 0.00 36.82 39.23 2qac h ILE 114 CO -0.22 0.58 0.50 0.50 -3.07 0.00 0.00 178.15 176.44 2qac h LYS 115 N 0.58 1.13 -0.10 2.19 3.64 -0.89 -0.08 116.57 123.05 2qac h LYS 115 Ca -0.00 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 2qac h LYS 115 Cb 1.20 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2qac h LYS 115 CO 0.13 0.80 -0.36 0.93 -2.27 0.00 0.00 179.45 178.68 2qac h GLU 116 N 1.15 0.21 -0.02 1.90 5.08 -0.91 0.26 114.58 122.24 2qac h GLU 116 Ca 0.30 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2qac h GLU 116 Cb -0.04 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2qac h GLU 116 CO -0.06 0.54 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.96 2qac h LEU 117 N 0.18 0.45 -0.26 1.33 3.38 -1.04 -3.42 115.31 115.93 2qac h LEU 117 Ca 0.02 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2qac h LEU 117 Cb 0.72 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2qac h LEU 117 CO 0.05 1.12 0.00 -1.22 0.09 0.00 0.00 178.44 178.48 2qac n TYR 118 N -4.32 0.00 -2.43 1.13 4.01 -0.08 -5.12 117.16 110.36 2qac n TYR 118 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2qac n TYR 118 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2qac n TYR 118 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qac n GLY 119 N 0.43 -1.80 0.19 2.72 0.00 0.92 -4.51 105.19 103.14 2qac n GLY 119 Ca 0.00 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.52 2qac n GLY 119 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qac h ASP 120 N 0.00 0.00 -3.36 1.61 3.32 -1.93 -3.38 116.42 112.68 2qac h ASP 120 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2qac h ASP 120 Cb 0.00 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.21 2qac h ASP 120 CO 0.00 0.00 -0.84 0.20 -1.72 0.00 0.00 179.24 176.88 2qac s ASN 121 N -5.66 2.29 -0.09 6.45 0.01 -1.26 -1.55 114.94 115.14 2qac s ASN 121 Ca 0.08 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 2qac s ASN 121 Cb 0.07 -1.05 -0.03 0.00 0.41 0.00 0.00 41.25 40.66 2qac s ASN 121 CO 0.63 0.07 -0.07 -0.76 -1.51 0.00 0.00 177.10 175.46 2qac s LEU 122 N 0.64 3.11 1.04 0.60 1.43 0.12 -4.84 118.68 120.79 2qac s LEU 122 Ca -0.14 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 2qac s LEU 122 Cb -0.16 -1.69 0.21 0.00 0.03 0.00 0.00 46.19 44.58 2qac s LEU 122 CO 0.04 0.31 1.09 0.42 0.23 0.00 0.00 176.35 178.44 2qac s THR 123 N -0.52 1.97 0.15 5.49 -4.23 -1.26 -0.57 115.64 116.67 2qac s THR 123 Ca 0.08 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.41 2qac s THR 123 Cb -0.12 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.28 2qac s THR 123 CO 0.02 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 176.04 2qac h TYR 124 N -2.06 0.05 -0.35 3.99 3.20 -1.99 -0.13 116.97 119.68 2qac h TYR 124 Ca -0.55 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.28 2qac h TYR 124 Cb 1.33 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 2qac h TYR 124 CO 0.11 -0.01 -0.02 1.49 -1.64 0.00 0.00 178.16 178.09 2qac h GLU 125 N 0.13 0.56 -0.29 1.82 4.57 -1.97 -0.94 114.58 118.47 2qac h GLU 125 Ca 0.14 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 2qac h GLU 125 Cb 0.17 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2qac h GLU 125 CO -0.21 0.60 -0.40 1.96 -1.18 0.00 0.00 179.01 179.79 2qac h GLN 126 N 0.53 0.68 -0.76 1.92 4.20 -1.79 -1.46 115.11 118.44 2qac h GLN 126 Ca 0.11 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 2qac h GLN 126 Cb 0.37 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2qac h GLN 126 CO 0.01 0.96 0.37 -0.92 -0.67 0.00 0.00 178.83 178.58 2qac h TYR 127 N 0.56 1.08 -0.69 2.96 3.20 -0.58 -0.18 116.97 123.32 2qac h TYR 127 Ca 0.05 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2qac h TYR 127 Cb 0.93 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 2qac h TYR 127 CO 0.04 0.79 0.30 -0.07 -1.64 0.00 0.00 178.16 177.58 2qac h LEU 128 N 1.06 0.93 -0.71 2.82 3.38 -0.86 -0.04 115.31 121.89 2qac h LEU 128 Ca 0.26 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2qac h LEU 128 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2qac h LEU 128 CO -0.03 0.83 0.31 -0.33 0.09 0.00 0.00 178.44 179.30 2qac h GLU 129 N 0.97 1.05 -0.21 1.13 5.08 -0.99 -1.70 114.58 119.90 2qac h GLU 129 Ca 0.23 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2qac h GLU 129 Cb 0.17 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2qac h GLU 129 CO -0.02 0.85 0.10 -0.92 -1.00 0.00 0.00 179.01 178.01 2qac h TYR 130 N 1.01 0.19 -0.73 4.33 3.20 -0.63 -2.40 116.97 121.93 2qac h TYR 130 Ca 0.24 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.18 2qac h TYR 130 Cb 0.17 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 2qac h TYR 130 CO 0.01 0.11 0.48 -0.07 -1.64 0.00 0.00 178.16 177.05 2qac h LEU 131 N 0.22 0.69 -1.15 2.82 3.38 -0.69 -1.48 115.31 119.09 2qac h LEU 131 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2qac h LEU 131 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2qac h LEU 131 CO -0.06 0.45 0.01 0.77 0.09 0.00 0.00 178.44 179.70 2qac h SER 132 N 0.78 0.56 1.56 -0.43 4.64 -0.83 -2.00 113.55 117.84 2qac h SER 132 Ca 0.31 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2qac h SER 132 Cb 0.23 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2qac h SER 132 CO -0.10 0.63 0.00 0.16 -0.87 0.00 0.00 176.83 176.64 2qac h ILE 133 N 0.57 0.00 0.00 0.95 3.07 -0.93 -3.08 117.51 118.09 2qac h ILE 133 Ca 0.12 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 65.86 2qac h ILE 133 Cb 0.35 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 2qac h ILE 133 CO 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.11 2qac h VAL 135 N 0.00 1.20 -6.02 0.00 2.07 -1.47 -3.30 116.25 108.72 2qac h VAL 135 Ca 0.00 -0.60 -0.39 0.00 0.82 0.00 0.00 66.70 66.53 2qac h VAL 135 Cb 0.38 0.84 0.10 0.00 -1.52 0.00 0.00 31.29 31.10 2qac h VAL 135 CO 0.00 0.22 -0.90 1.41 0.02 0.00 0.00 177.57 178.32 2qac n HIS 136 N -4.64 -2.03 0.23 1.57 8.25 -1.26 -4.86 115.22 112.47 2qac n HIS 136 Ca -0.00 0.63 0.15 0.00 -0.26 0.00 0.00 57.72 58.24 2qac n HIS 136 Cb 0.15 -3.79 0.82 0.00 1.12 0.00 0.00 29.99 28.28 2qac n HIS 136 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2qac h ASP 137 N -1.70 0.00 -0.03 0.41 3.32 -1.96 -1.75 116.42 114.71 2qac h ASP 137 Ca -0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.41 2qac h ASP 137 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2qac h ASP 137 CO 0.49 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.30 2qac n LYS 138 N -3.97 1.31 -1.68 3.56 5.02 -1.26 -4.89 118.16 116.25 2qac n LYS 138 Ca -0.00 -0.45 -0.44 0.00 -2.02 0.00 0.00 58.31 55.40 2qac n LYS 138 Cb 0.23 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 2qac n LYS 138 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qac n ASP 139 N -0.41 2.77 -3.69 4.39 8.00 -0.66 -4.97 116.55 121.98 2qac n ASP 139 Ca 0.19 1.16 -0.15 0.00 0.71 0.00 0.00 54.79 56.70 2qac n ASP 139 Cb 0.21 -1.44 -0.14 0.00 -0.02 0.00 0.00 41.12 39.72 2qac n ASP 139 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2qac s ASN 140 N 0.17 0.35 0.37 -2.24 3.84 -1.26 -5.05 114.94 111.13 2qac s ASN 140 Ca 0.65 0.44 0.06 0.00 0.21 0.00 0.00 52.86 54.22 2qac s ASN 140 Cb -0.63 0.42 0.72 0.00 -0.55 0.00 0.00 41.25 41.21 2qac s ASN 140 CO 0.52 -0.22 1.96 1.62 -2.79 0.00 0.00 177.10 178.20 2qac h VAL 141 N 6.23 1.16 -0.58 -5.21 3.04 -1.95 -2.63 116.25 116.30 2qac h VAL 141 Ca -0.22 -0.51 -0.07 0.00 -1.01 0.00 0.00 66.70 64.90 2qac h VAL 141 Cb 1.12 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 31.11 2qac h VAL 141 CO 0.21 0.19 0.10 -0.33 -1.01 0.00 0.00 177.57 176.73 2qac h GLU 142 N 0.53 0.93 -0.36 4.17 3.07 -1.99 -0.29 114.58 120.64 2qac h GLU 142 Ca 0.13 -0.22 -0.09 0.00 -0.50 0.00 0.00 59.36 58.67 2qac h GLU 142 Cb 0.14 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 2qac h GLU 142 CO -0.01 0.86 -0.16 0.93 -1.40 0.00 0.00 179.01 179.23 2qac h GLU 143 N 0.88 0.66 -0.34 2.33 5.08 -1.91 -0.48 114.58 120.80 2qac h GLU 143 Ca 0.18 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2qac h GLU 143 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2qac h GLU 143 CO 0.01 0.79 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.54 2qac h LEU 144 N 0.59 0.77 -0.31 1.33 3.38 -1.29 -2.22 115.31 117.56 2qac h LEU 144 Ca 0.10 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2qac h LEU 144 Cb 0.61 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qac h LEU 144 CO 0.04 1.02 0.13 0.40 0.09 0.00 0.00 178.44 180.12 2qac h ILE 145 N 0.52 1.18 0.00 1.22 2.04 -0.89 -2.56 117.51 119.01 2qac h ILE 145 Ca 0.07 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2qac h ILE 145 Cb 0.74 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2qac h ILE 145 CO 0.06 0.19 -0.08 0.11 0.00 0.00 0.00 178.15 178.42 2qac h LYS 146 N 0.36 0.00 0.13 2.37 1.57 -1.07 0.19 116.57 120.11 2qac h LYS 146 Ca 0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2qac h LYS 146 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2qac h LYS 146 CO -0.01 0.08 -0.06 1.98 -0.57 0.00 0.00 179.45 180.87 2qac h MET 147 N 0.00 -0.17 -0.42 3.15 4.05 -0.99 -2.23 114.93 118.32 2qac h MET 147 Ca -0.00 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 2qac h MET 147 Cb 0.15 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2qac h MET 147 CO 0.01 0.02 -0.07 0.74 0.23 0.00 0.00 176.91 177.84 2qac h PHE 148 N -0.33 0.78 -0.48 1.39 0.04 -1.21 -2.98 116.94 114.14 2qac h PHE 148 Ca -0.02 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.67 2qac h PHE 148 Cb 0.26 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 2qac h PHE 148 CO -0.02 0.77 0.32 0.00 -0.60 0.00 0.00 178.31 178.78 2qac h ALA 149 N 1.26 1.83 -0.95 2.45 0.00 -0.51 -0.27 119.26 123.07 2qac h ALA 149 Ca 0.12 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.23 2qac h ALA 149 Cb 0.51 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 2qac h ALA 149 CO 0.03 0.10 0.62 1.25 0.00 0.00 0.00 179.25 181.25 2qac h HIS 150 N 0.49 0.65 -0.00 0.00 -0.00 -1.24 -1.04 115.15 114.01 2qac h HIS 150 Ca 0.20 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2qac h HIS 150 Cb 0.18 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 2qac h HIS 150 CO -0.00 0.14 -0.47 1.19 -0.00 0.00 0.00 177.93 178.80 2qac n PHE 151 N -4.57 0.00 -2.09 5.26 3.72 -0.13 -4.64 117.46 115.01 2qac n PHE 151 Ca 0.21 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.20 2qac n PHE 151 Cb 0.72 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 2qac n PHE 151 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2qac n ASP 152 N -1.34 4.11 -0.01 4.37 -0.08 -0.39 -4.76 116.55 118.43 2qac n ASP 152 Ca 0.07 -2.84 0.02 0.00 -1.51 0.00 0.00 54.79 50.52 2qac n ASP 152 Cb 0.34 -1.65 0.35 0.00 2.34 0.00 0.00 41.12 42.49 2qac n ASP 152 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2qac h ASN 153 N 7.37 0.51 -0.12 1.67 -1.07 -1.82 -1.78 115.58 120.35 2qac h ASN 153 Ca 0.46 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.77 2qac h ASN 153 Cb 0.78 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.90 2qac h ASN 153 CO 1.62 0.47 0.00 -0.46 0.07 0.00 0.00 177.43 179.13 2qac n ASN 154 N -4.37 2.22 -3.67 6.14 6.94 -1.26 -4.97 115.26 116.28 2qac n ASN 154 Ca 0.03 -1.75 -0.24 0.00 -0.02 0.00 0.00 54.58 52.59 2qac n ASN 154 Cb 0.15 -0.07 0.06 0.00 -2.36 0.00 0.00 39.78 37.57 2qac n ASN 154 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qac n THR 156 N -4.70 0.31 -0.80 0.00 -2.24 -1.26 -4.96 114.28 100.62 2qac n THR 156 Ca -0.07 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2qac n THR 156 Cb 0.58 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2qac n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qac n GLY 157 N 1.28 0.78 3.28 3.38 0.00 -1.26 -5.05 105.19 107.61 2qac n GLY 157 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2qac n GLY 157 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qac s TYR 158 N -2.97 1.86 0.02 1.61 2.02 -1.26 -3.44 117.35 115.19 2qac s TYR 158 Ca 0.00 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.35 2qac s TYR 158 Cb 0.00 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 2qac s TYR 158 CO 0.00 0.17 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.49 2qac s LEU 159 N -1.64 2.10 0.89 -1.29 1.43 -0.53 -4.91 118.68 114.73 2qac s LEU 159 Ca 0.08 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 2qac s LEU 159 Cb -0.10 -0.72 0.13 0.00 0.03 0.00 0.00 46.19 45.53 2qac s LEU 159 CO 0.03 0.12 1.09 0.42 0.23 0.00 0.00 176.35 178.24 2qac s THR 160 N -0.61 2.70 0.25 5.49 -4.23 -1.26 -0.20 115.64 117.78 2qac s THR 160 Ca 0.04 0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 2qac s THR 160 Cb -0.07 -2.65 0.25 0.00 1.34 0.00 0.00 72.50 71.37 2qac s THR 160 CO 0.00 -0.30 1.91 0.11 -0.54 0.00 0.00 174.62 175.81 2qac h LYS 161 N -1.56 1.25 -0.58 3.99 1.57 -1.53 -1.17 116.57 118.54 2qac h LYS 161 Ca -0.49 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.12 2qac h LYS 161 Cb 1.28 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 2qac h LYS 161 CO 0.53 0.83 -0.02 1.03 -0.57 0.00 0.00 179.45 181.24 2qac h SER 162 N 1.29 1.02 -0.19 0.86 0.87 -1.92 0.93 113.55 116.41 2qac h SER 162 Ca 0.37 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2qac h SER 162 Cb -0.09 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.58 2qac h SER 162 CO -0.10 1.08 0.09 1.56 -0.53 0.00 0.00 176.83 178.93 2qac h GLN 163 N 0.94 0.27 -0.42 2.24 4.20 -1.83 -0.48 115.11 120.03 2qac h GLN 163 Ca 0.16 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 2qac h GLN 163 Cb 0.58 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 2qac h GLN 163 CO 0.03 0.31 -0.10 0.52 -0.67 0.00 0.00 178.83 178.92 2qac h MET 164 N 0.17 0.76 -0.53 1.46 2.86 -1.07 -1.84 114.93 116.72 2qac h MET 164 Ca 0.06 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2qac h MET 164 Cb 0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 2qac h MET 164 CO -0.01 0.84 0.33 -0.22 1.06 0.00 0.00 176.91 178.91 2qac h LYS 165 N 0.69 0.71 -0.55 1.72 3.64 -0.62 -1.12 116.57 121.04 2qac h LYS 165 Ca 0.12 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2qac h LYS 165 Cb 0.57 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2qac h LYS 165 CO 0.04 0.50 0.30 -0.91 -2.27 0.00 0.00 179.45 177.10 2qac h ASN 166 N 0.71 0.69 0.01 4.20 2.35 -0.65 -0.80 115.58 122.09 2qac h ASN 166 Ca 0.19 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2qac h ASN 166 Cb -0.04 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 2qac h ASN 166 CO -0.04 0.59 -0.01 0.40 -1.65 0.00 0.00 177.43 176.72 2qac h ILE 167 N 0.74 0.98 0.00 2.81 2.04 -1.15 -2.07 117.51 120.86 2qac h ILE 167 Ca 0.19 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 2qac h ILE 167 Cb 0.05 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2qac h ILE 167 CO -0.03 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 177.78 2qac h LEU 168 N -0.02 0.00 -0.84 1.44 3.38 -0.95 -3.12 115.31 115.21 2qac h LEU 168 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qac h LEU 168 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qac h LEU 168 CO -0.00 0.27 -0.50 0.35 0.09 0.00 0.00 178.44 178.65 2qac n THR 169 N -3.57 0.00 -0.08 0.22 -2.24 -0.33 -1.45 114.28 106.83 2qac n THR 169 Ca -0.01 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 2qac n THR 169 Cb 0.41 1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 2qac n THR 169 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2qac n THR 170 N -0.24 1.00 -4.58 4.28 -1.04 -0.79 -4.66 114.28 108.26 2qac n THR 170 Ca 0.08 -0.46 -0.26 0.00 -2.04 0.00 0.00 64.05 61.36 2qac n THR 170 Cb 0.41 -0.96 -0.10 0.00 -1.82 0.00 0.00 70.33 67.86 2qac n THR 170 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2qac s TRP 171 N -2.35 2.21 0.00 -1.42 0.51 -1.20 -4.95 118.94 111.73 2qac s TRP 171 Ca -0.18 -0.84 0.00 0.00 -2.12 0.00 0.00 56.10 52.96 2qac s TRP 171 Cb 0.05 -1.56 0.00 0.00 -0.81 0.00 0.00 33.47 31.16 2qac s TRP 171 CO 0.47 0.23 0.00 0.41 -0.51 0.00 0.00 176.95 177.55 2qac n GLY 172 N -0.91 2.03 3.03 0.98 0.00 -1.26 -3.43 105.19 105.64 2qac n GLY 172 Ca -0.06 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2qac n GLY 172 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qac n ASP 173 N 0.93 4.84 -4.64 1.61 8.00 -1.26 -4.97 116.55 121.06 2qac n ASP 173 Ca 0.00 -3.01 -0.47 0.00 0.71 0.00 0.00 54.79 52.02 2qac n ASP 173 Cb 0.00 -1.56 -0.04 0.00 -0.02 0.00 0.00 41.12 39.50 2qac n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qac n ALA 174 N 5.18 0.39 -1.76 2.24 0.00 -1.22 -4.97 120.51 120.37 2qac n ALA 174 Ca 0.43 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 54.01 2qac n ALA 174 Cb 0.39 -2.21 0.02 0.00 0.00 0.00 0.00 19.45 17.65 2qac n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qac s LEU 175 N 0.52 3.28 0.70 0.00 1.43 -0.52 -4.97 118.68 119.12 2qac s LEU 175 Ca 0.76 1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 55.27 2qac s LEU 175 Cb -0.76 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 40.99 2qac s LEU 175 CO 0.46 -1.03 1.08 0.42 0.23 0.00 0.00 176.35 177.51 2qac s THR 176 N -3.00 3.66 0.20 5.49 -4.23 -1.26 -4.39 115.64 112.10 2qac s THR 176 Ca 0.57 0.60 -0.10 0.00 -1.18 0.00 0.00 61.69 61.58 2qac s THR 176 Cb -0.12 -3.19 0.14 0.00 1.34 0.00 0.00 72.50 70.66 2qac s THR 176 CO 0.50 -0.64 1.74 0.44 -0.54 0.00 0.00 174.62 176.11 2qac h ASP 177 N -0.59 0.17 -0.56 3.99 3.32 -1.95 -1.52 116.42 119.28 2qac h ASP 177 Ca -0.44 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 2qac h ASP 177 Cb 1.22 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 2qac h ASP 177 CO 0.55 0.11 0.03 -0.61 -1.72 0.00 0.00 179.24 177.60 2qac h GLN 178 N 0.37 0.96 -0.46 3.56 5.75 -1.99 -1.21 115.11 122.09 2qac h GLN 178 Ca 0.29 -0.29 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 2qac h GLN 178 Cb 0.37 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 2qac h GLN 178 CO -0.31 0.95 0.25 0.93 -2.65 0.00 0.00 178.83 178.00 2qac h GLU 179 N 0.85 0.48 0.08 1.69 5.08 -1.84 0.19 114.58 121.10 2qac h GLU 179 Ca 0.16 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2qac h GLU 179 Cb 0.49 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2qac h GLU 179 CO 0.02 0.32 -0.04 0.00 -1.00 0.00 0.00 179.01 178.31 2qac h ALA 180 N 1.23 -0.11 -0.42 3.43 0.00 -1.05 -1.47 119.26 120.86 2qac h ALA 180 Ca 0.19 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2qac h ALA 180 Cb 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2qac h ALA 180 CO -0.12 -0.49 -0.15 0.97 0.00 0.00 0.00 179.25 179.47 2qac h ILE 181 N -0.26 1.26 -0.54 0.00 6.09 -1.15 -1.12 117.51 121.80 2qac h ILE 181 Ca -0.01 -1.22 -0.04 0.00 -1.37 0.00 0.00 64.86 62.22 2qac h ILE 181 Cb 0.22 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.59 2qac h ILE 181 CO 0.02 0.41 0.19 0.44 -3.07 0.00 0.00 178.15 176.14 2qac h ASP 182 N 0.69 0.76 -0.45 2.19 3.32 -0.93 0.84 116.42 122.84 2qac h ASP 182 Ca 0.11 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2qac h ASP 182 Cb 0.64 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2qac h ASP 182 CO 0.04 0.75 0.25 0.00 -1.72 0.00 0.00 179.24 178.56 2qac h ALA 183 N 1.04 0.57 -0.41 3.45 0.00 -1.01 -1.04 119.26 121.86 2qac h ALA 183 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2qac h ALA 183 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qac h ALA 183 CO -0.01 0.09 -0.01 -0.07 0.00 0.00 0.00 179.25 179.25 2qac h LEU 184 N 0.59 0.72 -1.14 0.00 3.38 -0.98 -2.70 115.31 115.17 2qac h LEU 184 Ca 0.16 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2qac h LEU 184 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2qac h LEU 184 CO -0.03 0.86 -0.15 0.78 0.09 0.00 0.00 178.44 179.99 2qac h ASN 185 N 0.56 0.41 -0.21 -0.43 2.35 -0.75 -1.28 115.58 116.23 2qac h ASN 185 Ca 0.12 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 2qac h ASN 185 Cb 0.49 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2qac h ASN 185 CO 0.02 0.59 -0.03 0.00 -1.65 0.00 0.00 177.43 176.36 2qac h ALA 186 N 1.46 1.34 0.20 -0.83 0.00 -1.04 -3.23 119.26 117.16 2qac h ALA 186 Ca 0.07 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 2qac h ALA 186 Cb 0.50 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.17 2qac h ALA 186 CO 0.03 0.45 -1.18 0.35 0.00 0.00 0.00 179.25 178.90 2qac h PHE 187 N 0.50 0.81 -3.56 0.00 3.57 -1.10 -3.47 116.94 113.68 2qac h PHE 187 Ca 0.10 -0.58 -0.23 0.00 3.53 0.00 0.00 57.97 60.79 2qac h PHE 187 Cb 0.36 -0.04 -0.29 0.00 2.79 0.00 0.00 35.95 38.78 2qac h PHE 187 CO 0.01 1.45 -0.66 0.45 -2.23 0.00 0.00 178.31 177.33 2qac s SER 188 N -7.32 -0.04 0.41 0.41 0.15 -0.53 -5.01 113.70 101.77 2qac s SER 188 Ca -0.11 0.12 0.22 0.00 0.70 0.00 0.00 55.95 56.88 2qac s SER 188 Cb 0.03 0.09 0.30 0.00 -1.71 0.00 0.00 66.02 64.74 2qac s SER 188 CO 0.90 -0.05 1.59 0.77 1.20 0.00 0.00 173.24 177.65 2qac h SER 189 N 6.34 0.00 -2.25 5.45 4.64 -1.87 -3.39 113.55 122.47 2qac h SER 189 Ca -0.29 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.54 2qac h SER 189 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2qac h SER 189 CO 0.47 0.08 -0.48 -1.83 -0.87 0.00 0.00 176.83 174.20 2qac s GLU 190 N -3.17 3.19 0.15 4.77 -1.05 -1.26 -5.04 118.70 116.28 2qac s GLU 190 Ca 0.06 -0.88 -0.02 0.00 -0.15 0.00 0.00 54.97 53.98 2qac s GLU 190 Cb 0.05 -2.74 -0.02 0.00 -0.44 0.00 0.00 34.13 30.98 2qac s GLU 190 CO 0.68 0.43 1.37 0.22 0.95 0.00 0.00 175.26 178.91 2qac h ASP 191 N 1.45 0.47 -2.89 0.83 3.58 -1.97 -3.42 116.42 114.47 2qac h ASP 191 Ca -0.50 -0.35 -0.56 0.00 0.42 0.00 0.00 57.03 56.04 2qac h ASP 191 Cb 1.23 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 2qac h ASP 191 CO 0.62 1.13 0.89 0.20 -2.88 0.00 0.00 179.24 179.19 2qac s ASN 192 N -7.02 6.90 -0.25 2.28 0.01 -1.26 -1.28 114.94 114.32 2qac s ASN 192 Ca -0.05 1.86 -0.07 0.00 -0.71 0.00 0.00 52.86 53.88 2qac s ASN 192 Cb 0.10 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 2qac s ASN 192 CO 0.85 -0.76 0.07 -0.63 -1.51 0.00 0.00 177.10 175.13 2qac s ILE 193 N 3.24 4.34 -0.64 0.60 -1.09 0.72 -4.95 121.20 123.43 2qac s ILE 193 Ca 0.59 -0.16 -0.27 0.00 -2.23 0.00 0.00 60.65 58.58 2qac s ILE 193 Cb -0.25 -3.03 -0.01 0.00 -1.58 0.00 0.00 42.46 37.59 2qac s ILE 193 CO 0.20 0.34 1.73 -0.62 -1.23 0.00 0.00 174.94 175.36 2qac s ASP 194 N 1.59 5.47 0.46 3.58 -1.08 -1.26 -1.46 116.67 123.97 2qac s ASP 194 Ca 0.06 0.18 0.25 0.00 -0.52 0.00 0.00 52.55 52.52 2qac s ASP 194 Cb -0.15 -2.54 0.98 0.00 -1.46 0.00 0.00 42.92 39.75 2qac s ASP 194 CO 0.04 -2.25 1.85 0.10 0.52 0.00 0.00 175.17 175.43 2qac h TYR 195 N 13.85 0.00 -0.05 -5.34 -0.00 -1.91 -1.43 116.97 122.09 2qac h TYR 195 Ca -0.26 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.46 2qac h TYR 195 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.87 2qac h TYR 195 CO 1.06 0.20 0.02 -0.22 -0.00 0.00 0.00 178.16 179.22 2qac h LYS 196 N 0.00 0.07 -0.51 0.10 3.64 -1.89 -1.44 116.57 116.54 2qac h LYS 196 Ca -0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2qac h LYS 196 Cb 0.71 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2qac h LYS 196 CO 0.03 0.17 0.16 -0.07 -2.27 0.00 0.00 179.45 177.46 2qac h LEU 197 N -0.04 0.70 -0.28 5.20 3.38 -1.83 -1.57 115.31 120.88 2qac h LEU 197 Ca 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2qac h LEU 197 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2qac h LEU 197 CO -0.00 0.66 0.11 0.15 0.09 0.00 0.00 178.44 179.45 2qac h PHE 198 N 0.74 0.42 -0.48 1.13 3.57 -1.12 -0.25 116.94 120.95 2qac h PHE 198 Ca 0.17 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2qac h PHE 198 Cb 0.22 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2qac h PHE 198 CO 0.01 0.41 0.17 0.00 -2.23 0.00 0.00 178.31 176.67 2qac h GLU 200 N 0.63 1.21 -0.03 0.00 5.08 -1.17 -2.89 114.58 117.41 2qac h GLU 200 Ca 0.16 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2qac h GLU 200 Cb 0.23 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2qac h GLU 200 CO -0.01 0.80 -0.00 0.22 -1.00 0.00 0.00 179.01 179.02 2qac h ASP 201 N 1.24 0.06 0.54 1.42 3.58 -0.58 -3.28 116.42 119.41 2qac h ASP 201 Ca 0.36 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2qac h ASP 201 Cb -0.07 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2qac h ASP 201 CO -0.10 0.39 -0.20 -0.29 -2.88 0.00 0.00 179.24 176.16 2qac h ILE 202 N -0.27 0.69 0.00 2.25 6.09 -1.01 -2.14 117.51 123.12 2qac h ILE 202 Ca 0.01 -0.87 0.00 0.00 -1.37 0.00 0.00 64.86 62.63 2qac h ILE 202 Cb 0.36 1.54 0.00 0.00 0.47 0.00 0.00 36.82 39.20 2qac h ILE 202 CO 0.00 0.20 0.00 -0.07 -3.07 0.00 0.00 178.15 175.21 2qac h LEU 203 N 0.00 0.00 -0.52 2.19 3.38 -1.57 -3.52 115.31 115.28 2qac h LEU 203 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qac h LEU 203 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2qac h LEU 203 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56