#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qf0 n THR 40 N 0.00 0.27 0.67 0.44 -2.24 -1.26 -4.14 114.28 108.03 2qf0 n THR 40 Ca 0.00 -0.58 0.12 0.00 -2.27 0.00 0.00 64.05 61.32 2qf0 n THR 40 Cb 0.00 1.02 0.15 0.00 -2.10 0.00 0.00 70.33 69.40 2qf0 n THR 40 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qf0 n ASP 41 N 1.20 0.63 -4.66 3.42 8.00 -1.26 -4.93 116.55 118.95 2qf0 n ASP 41 Ca 0.17 -0.06 -0.30 0.00 0.71 0.00 0.00 54.79 55.32 2qf0 n ASP 41 Cb 0.55 0.35 0.17 0.00 -0.02 0.00 0.00 41.12 42.17 2qf0 n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qf0 s GLU 42 N -3.13 0.75 -0.08 -1.24 2.02 -1.26 -5.05 118.70 110.70 2qf0 s GLU 42 Ca 0.07 0.92 0.05 0.00 0.02 0.00 0.00 54.97 56.02 2qf0 s GLU 42 Cb 0.15 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.63 2qf0 s GLU 42 CO 0.74 -2.62 -0.24 0.99 0.02 0.00 0.00 175.26 174.15 2qf0 s THR 43 N -2.80 2.05 0.18 3.63 2.01 -1.26 -5.12 115.64 114.33 2qf0 s THR 43 Ca 0.65 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.31 2qf0 s THR 43 Cb -0.20 -1.76 -0.08 0.00 0.01 0.00 0.00 72.50 70.48 2qf0 s THR 43 CO 0.59 0.56 1.14 -2.84 -0.69 0.00 0.00 174.62 173.38 2qf0 s PRO 44 N 0.11 4.55 0.23 4.92 0.02 -1.26 -4.98 135.00 138.58 2qf0 s PRO 44 Ca -0.12 1.77 -0.32 0.00 0.02 0.00 0.00 61.00 62.36 2qf0 s PRO 44 Cb -0.16 -3.27 -0.12 0.00 0.02 0.00 0.00 34.50 30.97 2qf0 s PRO 44 CO 0.06 0.01 1.65 0.00 -0.33 0.00 0.00 177.00 178.39 2qf0 n ALA 45 N 2.45 2.45 -3.54 -1.55 0.00 -1.26 -4.96 120.51 114.11 2qf0 n ALA 45 Ca 0.03 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 2qf0 n ALA 45 Cb 0.46 -2.47 -0.07 0.00 0.00 0.00 0.00 19.45 17.37 2qf0 n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qf0 s SER 46 N 0.91 -0.66 -0.20 0.00 0.15 -1.26 -5.00 113.70 107.64 2qf0 s SER 46 Ca 0.72 1.09 0.16 0.00 0.70 0.00 0.00 55.95 58.62 2qf0 s SER 46 Cb -0.54 1.06 0.65 0.00 -1.71 0.00 0.00 66.02 65.48 2qf0 s SER 46 CO 0.38 -0.35 1.56 -1.22 1.20 0.00 0.00 173.24 174.81 2qf0 n TYR 47 N 2.12 1.41 0.17 3.44 4.02 -1.26 -4.62 117.16 122.43 2qf0 n TYR 47 Ca -0.16 -0.82 0.15 0.00 -0.01 0.00 0.00 57.90 57.06 2qf0 n TYR 47 Cb 0.56 -0.40 0.73 0.00 -0.02 0.00 0.00 39.34 40.21 2qf0 n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 2qf0 h ASN 48 N 2.69 0.00 -0.30 7.72 -0.73 -1.95 -2.22 115.58 120.79 2qf0 h ASN 48 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2qf0 h ASN 48 Cb 1.67 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.24 2qf0 h ASN 48 CO 0.33 0.00 0.14 0.25 -0.37 0.00 0.00 177.43 177.79 2qf0 h LEU 49 N 0.00 0.39 -1.05 0.34 5.85 -1.89 0.66 115.31 119.61 2qf0 h LEU 49 Ca 0.10 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2qf0 h LEU 49 Cb 0.43 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2qf0 h LEU 49 CO -0.00 0.41 0.64 0.00 -0.34 0.00 0.00 178.44 179.15 2qf0 h ALA 50 N 1.00 1.31 0.60 1.25 0.00 -1.51 -2.60 119.26 119.30 2qf0 h ALA 50 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2qf0 h ALA 50 Cb 0.12 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.53 2qf0 h ALA 50 CO -0.01 0.64 -0.29 0.28 0.00 0.00 0.00 179.25 179.87 2qf0 h VAL 51 N 1.31 0.41 -0.34 0.00 2.07 -1.16 0.41 116.25 118.95 2qf0 h VAL 51 Ca 0.36 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.92 2qf0 h VAL 51 Cb -0.15 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2qf0 h VAL 51 CO -0.08 0.01 0.28 0.03 0.02 0.00 0.00 177.57 177.83 2qf0 h ARG 52 N -0.84 0.00 0.15 1.57 3.08 -0.69 -0.68 114.38 116.97 2qf0 h ARG 52 Ca -0.08 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.61 2qf0 h ARG 52 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2qf0 h ARG 52 CO 0.13 0.00 -1.87 0.00 -1.07 0.00 0.00 179.97 177.16 2qf0 h ARG 53 N 0.00 0.31 0.02 0.04 3.08 -1.29 -3.43 114.38 113.11 2qf0 h ARG 53 Ca 0.16 -0.53 -0.30 0.00 0.07 0.00 0.00 59.98 59.39 2qf0 h ARG 53 Cb 0.72 0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 2qf0 h ARG 53 CO -0.00 1.25 -1.64 0.00 -1.07 0.00 0.00 179.97 178.51 2qf0 n ALA 54 N -2.96 0.89 -0.34 0.04 0.00 0.12 -4.60 120.51 113.66 2qf0 n ALA 54 Ca -0.29 -0.63 0.20 0.00 0.00 0.00 0.00 53.44 52.72 2qf0 n ALA 54 Cb 1.04 -0.45 0.42 0.00 0.00 0.00 0.00 19.45 20.47 2qf0 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qf0 h ALA 55 N -0.47 1.90 -0.06 0.00 0.00 -1.31 -1.15 119.26 118.17 2qf0 h ALA 55 Ca -0.43 0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2qf0 h ALA 55 Cb 1.49 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2qf0 h ALA 55 CO -0.20 -0.39 0.09 -1.35 0.00 0.00 0.00 179.25 177.40 2qf0 h PRO 56 N 0.50 0.00 -0.01 0.00 0.11 -1.81 -1.55 132.00 129.24 2qf0 h PRO 56 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 2qf0 h PRO 56 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2qf0 h PRO 56 CO -0.47 0.00 -0.26 0.00 -0.21 0.00 0.00 178.00 177.06 2qf0 n ALA 57 N -2.24 3.09 -2.60 -0.75 0.00 -0.43 -4.57 120.51 113.00 2qf0 n ALA 57 Ca -0.01 -0.54 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 2qf0 n ALA 57 Cb 0.18 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 2qf0 n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qf0 s VAL 58 N -2.35 5.17 0.34 0.00 1.01 -0.58 -0.76 120.40 123.23 2qf0 s VAL 58 Ca 0.25 0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.86 2qf0 s VAL 58 Cb 0.19 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2qf0 s VAL 58 CO 0.48 0.14 0.24 0.68 0.00 0.00 0.00 175.10 176.64 2qf0 s VAL 59 N 2.07 3.33 -0.18 2.92 -7.23 -0.22 -4.60 120.40 116.49 2qf0 s VAL 59 Ca 0.15 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.69 2qf0 s VAL 59 Cb -0.16 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.63 2qf0 s VAL 59 CO 0.10 -0.17 0.29 0.20 -0.31 0.00 0.00 175.10 175.21 2qf0 s ASN 60 N -3.94 6.39 -0.18 4.85 0.01 -0.25 -1.11 114.94 120.72 2qf0 s ASN 60 Ca 0.40 0.46 -0.05 0.00 -0.71 0.00 0.00 52.86 52.96 2qf0 s ASN 60 Cb -0.04 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 2qf0 s ASN 60 CO 0.25 0.07 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.21 2qf0 s VAL 61 N 0.66 4.03 -0.09 1.60 1.01 -0.27 -0.56 120.40 126.78 2qf0 s VAL 61 Ca 0.16 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2qf0 s VAL 61 Cb -0.13 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 2qf0 s VAL 61 CO 0.04 0.46 -0.21 -0.31 0.00 0.00 0.00 175.10 175.09 2qf0 s TYR 62 N 0.64 2.60 -0.05 5.22 1.51 0.95 -0.79 117.35 127.43 2qf0 s TYR 62 Ca -0.01 -0.78 0.18 0.00 -1.01 0.00 0.00 57.07 55.45 2qf0 s TYR 62 Cb -0.14 -1.71 -0.28 0.00 -0.11 0.00 0.00 41.96 39.73 2qf0 s TYR 62 CO 0.02 -0.26 0.35 -1.71 -1.11 0.00 0.00 175.55 172.84 2qf0 n ASN 63 N 3.26 0.76 0.00 2.29 2.85 -1.09 -0.68 115.26 122.65 2qf0 n ASN 63 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2qf0 n ASN 63 Cb 0.53 1.69 0.00 0.00 1.24 0.00 0.00 39.78 43.23 2qf0 n ASN 63 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2qf0 n GLU 75 N -2.23 0.00 -3.51 1.20 -0.58 -1.26 -4.28 120.64 109.98 2qf0 n GLU 75 Ca -0.08 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.25 2qf0 n GLU 75 Cb 0.58 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.37 2qf0 n GLU 75 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2qf0 s ILE 76 N -4.35 4.42 0.00 -3.67 1.10 -1.26 -4.99 121.20 112.45 2qf0 s ILE 76 Ca 0.00 -1.67 0.00 0.00 -0.51 0.00 0.00 60.65 58.47 2qf0 s ILE 76 Cb 0.00 -3.86 0.00 0.00 0.15 0.00 0.00 42.46 38.75 2qf0 s ILE 76 CO 0.00 -0.75 0.69 0.54 -2.11 0.00 0.00 174.94 173.31 2qf0 n ARG 77 N 4.98 0.00 -3.78 3.50 1.74 -1.26 -4.89 116.66 116.94 2qf0 n ARG 77 Ca -0.09 0.33 -0.13 0.00 -0.77 0.00 0.00 57.85 57.19 2qf0 n ARG 77 Cb 0.41 -1.24 -0.13 0.00 -1.02 0.00 0.00 32.46 30.48 2qf0 n ARG 77 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qf0 s THR 78 N -2.03 -0.02 0.41 0.55 2.01 -1.26 -5.02 115.64 110.28 2qf0 s THR 78 Ca 0.00 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.14 2qf0 s THR 78 Cb 0.00 -0.30 -0.00 0.00 0.01 0.00 0.00 72.50 72.21 2qf0 s THR 78 CO 0.00 0.02 0.48 -1.48 -0.69 0.00 0.00 174.62 172.95 2qf0 s LEU 79 N 0.53 3.59 0.00 4.42 0.05 -1.26 -2.66 118.68 123.34 2qf0 s LEU 79 Ca -0.03 -0.52 0.00 0.00 0.05 0.00 0.00 54.13 53.62 2qf0 s LEU 79 Cb -0.05 -2.43 0.00 0.00 -2.05 0.00 0.00 46.19 41.67 2qf0 s LEU 79 CO -0.03 -0.67 0.00 0.61 -0.55 0.00 0.00 176.35 175.72 2qf0 n GLY 80 N -1.69 2.75 3.51 -3.48 0.00 0.03 -4.48 105.19 101.82 2qf0 n GLY 80 Ca 0.05 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 2qf0 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qf0 s SER 81 N 1.92 3.16 0.20 1.61 0.01 0.11 -1.11 113.70 119.60 2qf0 s SER 81 Ca 0.00 -1.28 -0.11 0.00 1.31 0.00 0.00 55.95 55.86 2qf0 s SER 81 Cb 0.00 -0.25 -0.00 0.00 0.21 0.00 0.00 66.02 65.98 2qf0 s SER 81 CO 0.00 -0.41 0.39 -0.83 0.41 0.00 0.00 173.24 172.81 2qf0 s GLY 82 N -3.56 0.46 -0.11 3.44 0.00 -0.26 -4.00 107.32 103.29 2qf0 s GLY 82 Ca 0.33 -0.82 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 2qf0 s GLY 82 CO 0.15 -0.69 0.03 0.14 0.00 0.00 0.00 173.10 172.74 2qf0 s VAL 83 N -3.98 0.27 0.92 1.40 1.01 -0.23 -1.06 120.40 118.72 2qf0 s VAL 83 Ca 0.19 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2qf0 s VAL 83 Cb 0.01 -0.61 0.14 0.00 0.00 0.00 0.00 36.38 35.92 2qf0 s VAL 83 CO 0.04 0.05 1.09 -0.63 0.00 0.00 0.00 175.10 175.64 2qf0 s ILE 84 N 2.00 2.57 0.77 2.22 1.01 0.06 -1.61 121.20 128.22 2qf0 s ILE 84 Ca 0.03 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.71 2qf0 s ILE 84 Cb -0.14 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 2qf0 s ILE 84 CO -0.06 -0.24 0.52 -0.67 0.00 0.00 0.00 174.94 174.48 2qf0 n ASP 86 N -3.97 -1.33 -0.13 3.58 2.03 -1.22 -2.09 116.55 113.42 2qf0 n ASP 86 Ca 0.07 0.54 0.27 0.00 0.52 0.00 0.00 54.79 56.18 2qf0 n ASP 86 Cb 0.55 -1.22 0.72 0.00 -0.72 0.00 0.00 41.12 40.45 2qf0 n ASP 86 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2qf0 h GLN 87 N -0.62 0.00 0.00 -0.67 1.08 -1.93 -0.82 115.11 112.15 2qf0 h GLN 87 Ca -0.45 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.74 2qf0 h GLN 87 Cb 1.33 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.76 2qf0 h GLN 87 CO 0.41 0.00 -0.03 0.00 -0.95 0.00 0.00 178.83 178.26 2qf0 h ARG 88 N 0.00 0.00 0.00 1.46 3.08 -1.96 -3.42 114.38 113.54 2qf0 h ARG 88 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2qf0 h ARG 88 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 2qf0 h ARG 88 CO -0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 2qf0 n GLY 89 N -0.78 1.30 3.69 0.04 0.00 -0.31 -4.77 105.19 104.35 2qf0 n GLY 89 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2qf0 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qf0 s TYR 90 N -2.00 3.53 0.05 1.61 1.51 -1.25 -2.18 117.35 118.63 2qf0 s TYR 90 Ca 0.00 1.57 0.09 0.00 -1.01 0.00 0.00 57.07 57.72 2qf0 s TYR 90 Cb 0.00 -3.15 -0.03 0.00 -0.11 0.00 0.00 41.96 38.67 2qf0 s TYR 90 CO 0.00 -0.19 -0.23 0.42 -1.11 0.00 0.00 175.55 174.44 2qf0 s ILE 91 N 1.84 2.38 -0.03 2.71 1.01 -0.10 -3.43 121.20 125.58 2qf0 s ILE 91 Ca 0.48 -1.36 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2qf0 s ILE 91 Cb -0.18 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 2qf0 s ILE 91 CO 0.19 0.33 -0.05 -0.63 0.00 0.00 0.00 174.94 174.77 2qf0 s ILE 92 N -0.87 3.79 0.02 2.92 1.01 -0.63 0.13 121.20 127.56 2qf0 s ILE 92 Ca 0.13 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 2qf0 s ILE 92 Cb -0.10 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.76 2qf0 s ILE 92 CO 0.04 0.49 0.04 1.07 0.00 0.00 0.00 174.94 176.57 2qf0 n THR 93 N 1.83 0.00 -3.57 2.92 5.66 -0.26 -1.07 114.28 119.79 2qf0 n THR 93 Ca -0.16 -0.09 -0.37 0.00 -3.05 0.00 0.00 64.05 60.38 2qf0 n THR 93 Cb 0.53 0.06 -0.08 0.00 -1.55 0.00 0.00 70.33 69.29 2qf0 n THR 93 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2qf0 s ASN 94 N -1.13 6.26 0.20 1.09 0.02 -1.26 -1.22 114.94 118.90 2qf0 s ASN 94 Ca 0.01 0.30 -0.15 0.00 -1.02 0.00 0.00 52.86 52.00 2qf0 s ASN 94 Cb -0.00 -2.15 0.18 0.00 0.02 0.00 0.00 41.25 39.30 2qf0 s ASN 94 CO 0.01 0.04 1.63 0.50 0.02 0.00 0.00 177.10 179.30 2qf0 h LYS 95 N 7.26 -0.03 -0.37 -0.60 3.64 -1.52 0.10 116.57 125.05 2qf0 h LYS 95 Ca -0.38 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.11 2qf0 h LYS 95 Cb 1.16 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2qf0 h LYS 95 CO 0.70 -0.02 0.35 1.12 -2.27 0.00 0.00 179.45 179.33 2qf0 h HIS 96 N -0.03 0.00 -0.22 1.91 2.07 -1.95 -0.81 115.15 116.12 2qf0 h HIS 96 Ca 0.26 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.72 2qf0 h HIS 96 Cb 0.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 2qf0 h HIS 96 CO -0.48 0.00 -0.12 0.28 -3.07 0.00 0.00 177.93 174.53 2qf0 h VAL 97 N 0.00 1.31 -0.60 6.12 2.07 -1.18 -3.21 116.25 120.76 2qf0 h VAL 97 Ca 0.18 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2qf0 h VAL 97 Cb 0.87 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2qf0 h VAL 97 CO -0.00 0.37 0.00 2.30 0.02 0.00 0.00 177.57 180.26 2qf0 n ILE 98 N -4.51 1.18 -2.53 4.57 -6.64 -0.43 -4.78 119.36 106.21 2qf0 n ILE 98 Ca -0.05 -0.92 -0.33 0.00 -1.77 0.00 0.00 62.75 59.68 2qf0 n ILE 98 Cb 0.35 0.25 -0.04 0.00 -1.44 0.00 0.00 39.64 38.76 2qf0 n ILE 98 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 2qf0 s ASN 99 N -0.92 6.43 -1.86 7.28 2.47 -0.49 -3.20 114.94 124.64 2qf0 s ASN 99 Ca 0.43 1.83 0.00 0.00 0.42 0.00 0.00 52.86 55.54 2qf0 s ASN 99 Cb 0.25 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 2qf0 s ASN 99 CO 0.25 -0.72 0.00 0.47 -3.72 0.00 0.00 177.10 173.38 2qf0 n ASP 100 N -1.07 -5.82 -4.74 -4.21 8.00 -1.26 -4.95 116.55 102.49 2qf0 n ASP 100 Ca 0.08 0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.30 2qf0 n ASP 100 Cb 0.53 -4.90 -0.06 0.00 -0.02 0.00 0.00 41.12 36.67 2qf0 n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qf0 s ALA 101 N -2.98 3.55 -0.16 2.24 0.00 -1.19 -4.94 121.76 118.27 2qf0 s ALA 101 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.67 2qf0 s ALA 101 Cb 0.00 -2.52 -0.23 0.00 0.00 0.00 0.00 23.12 20.37 2qf0 s ALA 101 CO 0.00 0.10 0.20 -3.47 0.00 0.00 0.00 175.76 172.59 2qf0 n ASP 102 N 3.40 1.80 -3.70 0.00 -0.08 -1.26 -4.89 116.55 111.82 2qf0 n ASP 102 Ca -0.10 0.11 -0.17 0.00 -1.51 0.00 0.00 54.79 53.12 2qf0 n ASP 102 Cb 0.52 -0.51 -0.16 0.00 2.34 0.00 0.00 41.12 43.30 2qf0 n ASP 102 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2qf0 s GLN 103 N -2.55 -0.02 -0.30 -0.67 0.74 -1.26 -5.13 119.66 110.47 2qf0 s GLN 103 Ca -0.23 0.40 -0.10 0.00 0.05 0.00 0.00 55.36 55.47 2qf0 s GLN 103 Cb 0.07 -0.35 -0.02 0.00 1.10 0.00 0.00 33.01 33.82 2qf0 s GLN 103 CO 0.73 -0.27 0.16 0.42 -0.55 0.00 0.00 175.29 175.77 2qf0 s ILE 104 N 1.88 4.73 -0.12 -2.34 1.01 -1.26 -4.38 121.20 120.72 2qf0 s ILE 104 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2qf0 s ILE 104 Cb -0.12 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2qf0 s ILE 104 CO -0.04 0.11 -0.02 -0.63 0.00 0.00 0.00 174.94 174.35 2qf0 s ILE 105 N 1.64 4.06 -0.15 2.92 -1.09 0.15 -1.33 121.20 127.40 2qf0 s ILE 105 Ca 0.05 -0.32 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 2qf0 s ILE 105 Cb -0.17 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 2qf0 s ILE 105 CO 0.07 0.55 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.46 2qf0 s VAL 106 N -0.27 2.41 -0.11 2.92 1.01 -0.68 -0.03 120.40 125.65 2qf0 s VAL 106 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2qf0 s VAL 106 Cb -0.12 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 2qf0 s VAL 106 CO 0.02 0.53 -0.19 0.00 0.00 0.00 0.00 175.10 175.46 2qf0 s ALA 107 N 0.81 2.38 0.29 5.51 0.00 0.28 -0.77 121.76 130.26 2qf0 s ALA 107 Ca -0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2qf0 s ALA 107 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2qf0 s ALA 107 CO -0.01 0.29 0.50 -0.51 0.00 0.00 0.00 175.76 176.03 2qf0 s LEU 108 N 0.29 4.09 0.15 0.00 1.02 0.63 -1.09 118.68 123.77 2qf0 s LEU 108 Ca -0.14 0.49 0.16 0.00 0.02 0.00 0.00 54.13 54.66 2qf0 s LEU 108 Cb -0.17 -3.31 0.74 0.00 0.02 0.00 0.00 46.19 43.47 2qf0 s LEU 108 CO 0.07 -0.20 1.50 0.00 0.02 0.00 0.00 176.35 177.74 2qf0 n GLN 109 N -1.29 0.09 -0.53 1.70 1.13 -1.26 -2.14 117.38 115.08 2qf0 n GLN 109 Ca -0.04 0.43 0.05 0.00 -1.94 0.00 0.00 57.00 55.50 2qf0 n GLN 109 Cb 0.55 -1.72 0.26 0.00 0.11 0.00 0.00 30.24 29.44 2qf0 n GLN 109 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2qf0 n ASP 110 N -1.90 3.84 0.00 1.08 5.68 -1.26 -4.90 116.55 119.09 2qf0 n ASP 110 Ca 0.01 -2.49 0.00 0.00 -0.50 0.00 0.00 54.79 51.81 2qf0 n ASP 110 Cb 0.13 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 2qf0 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qf0 n GLY 111 N 0.59 1.92 3.75 6.12 0.00 -0.91 -5.03 105.19 111.62 2qf0 n GLY 111 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2qf0 n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 112 N -0.39 4.76 -0.08 1.61 0.52 -1.25 -4.87 118.95 119.24 2qf0 s ARG 112 Ca 0.00 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 56.82 2qf0 s ARG 112 Cb 0.00 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 32.24 2qf0 s ARG 112 CO 0.00 0.37 -0.07 0.08 0.02 0.00 0.00 175.30 175.70 2qf0 s VAL 113 N -1.04 0.89 0.41 3.52 1.01 -1.26 -0.27 120.40 123.65 2qf0 s VAL 113 Ca 0.43 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2qf0 s VAL 113 Cb -0.28 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 2qf0 s VAL 113 CO 0.35 0.33 0.02 -0.36 0.00 0.00 0.00 175.10 175.44 2qf0 s PHE 114 N 1.34 2.36 -0.20 5.22 0.40 0.05 -4.98 117.98 122.17 2qf0 s PHE 114 Ca -0.03 -0.75 -0.07 0.00 -0.60 0.00 0.00 56.93 55.48 2qf0 s PHE 114 Cb -0.14 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 2qf0 s PHE 114 CO -0.03 0.35 0.05 -2.00 0.70 0.00 0.00 175.22 174.28 2qf0 s GLU 115 N -3.75 3.82 0.10 0.44 2.12 -1.26 -1.69 118.70 118.48 2qf0 s GLU 115 Ca 0.32 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.26 2qf0 s GLU 115 Cb 0.09 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 2qf0 s GLU 115 CO 0.16 0.13 0.18 0.00 -0.54 0.00 0.00 175.26 175.19 2qf0 s ALA 116 N 0.75 3.81 -0.08 6.30 0.00 -0.44 -4.63 121.76 127.47 2qf0 s ALA 116 Ca 0.03 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.01 2qf0 s ALA 116 Cb -0.14 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 2qf0 s ALA 116 CO 0.02 0.69 -0.12 -0.51 0.00 0.00 0.00 175.76 175.84 2qf0 s LEU 117 N -2.74 2.87 -0.19 0.00 2.01 -0.40 -4.46 118.68 115.76 2qf0 s LEU 117 Ca 0.33 -0.17 -0.29 0.00 0.01 0.00 0.00 54.13 54.00 2qf0 s LEU 117 Cb -0.12 -1.61 -0.02 0.00 0.01 0.00 0.00 46.19 44.45 2qf0 s LEU 117 CO 0.26 0.30 1.40 -0.22 1.01 0.00 0.00 176.35 179.10 2qf0 s LEU 118 N -0.47 4.07 0.19 1.79 0.20 -1.26 -1.37 118.68 121.83 2qf0 s LEU 118 Ca 0.06 1.65 0.20 0.00 0.69 0.00 0.00 54.13 56.72 2qf0 s LEU 118 Cb -0.12 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.11 2qf0 s LEU 118 CO 0.02 -0.96 1.09 0.58 -0.29 0.00 0.00 176.35 176.79 2qf0 h VAL 119 N 5.75 0.29 0.00 1.68 2.07 -0.50 -3.49 116.25 122.05 2qf0 h VAL 119 Ca -0.30 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2qf0 h VAL 119 Cb 1.12 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2qf0 h VAL 119 CO 0.99 0.16 0.00 0.61 0.02 0.00 0.00 177.57 179.35 2qf0 n GLY 120 N 1.25 2.37 3.20 2.17 0.00 -1.19 -4.83 105.19 108.16 2qf0 n GLY 120 Ca -0.03 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2qf0 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qf0 s SER 121 N 0.00 0.20 -0.29 1.61 0.01 -1.26 -1.54 113.70 112.43 2qf0 s SER 121 Ca 0.00 -1.38 -0.01 0.00 1.31 0.00 0.00 55.95 55.88 2qf0 s SER 121 Cb 0.00 0.37 0.13 0.00 0.21 0.00 0.00 66.02 66.73 2qf0 s SER 121 CO 0.00 -0.83 0.28 -0.62 0.41 0.00 0.00 173.24 172.48 2qf0 s ASP 122 N -3.16 1.88 0.56 2.44 2.15 -0.68 -5.00 116.67 114.86 2qf0 s ASP 122 Ca 0.38 -0.81 0.28 0.00 0.43 0.00 0.00 52.55 52.83 2qf0 s ASP 122 Cb 0.07 0.42 1.66 0.00 -0.30 0.00 0.00 42.92 44.76 2qf0 s ASP 122 CO 0.11 -0.39 2.18 -1.28 -0.17 0.00 0.00 175.17 175.62 2qf0 h SER 123 N 8.28 0.00 -0.19 -0.34 0.87 -1.95 0.17 113.55 120.38 2qf0 h SER 123 Ca -0.14 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.30 2qf0 h SER 123 Cb 1.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2qf0 h SER 123 CO 0.35 0.05 -0.28 0.25 -0.53 0.00 0.00 176.83 176.66 2qf0 h LEU 124 N 0.00 0.70 -0.77 2.23 6.46 -1.96 -3.24 115.31 118.73 2qf0 h LEU 124 Ca -0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2qf0 h LEU 124 Cb 0.12 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.86 2qf0 h LEU 124 CO 0.01 0.95 -0.26 0.35 -0.62 0.00 0.00 178.44 178.86 2qf0 n THR 125 N -4.09 0.00 -1.60 1.05 -2.24 -1.02 -4.99 114.28 101.38 2qf0 n THR 125 Ca -0.01 -0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 2qf0 n THR 125 Cb 0.46 1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 2qf0 n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2qf0 n ASP 126 N -0.25 -4.65 -4.77 3.42 2.03 0.57 -5.01 116.55 107.90 2qf0 n ASP 126 Ca 0.05 0.27 -0.31 0.00 0.52 0.00 0.00 54.79 55.33 2qf0 n ASP 126 Cb 0.25 -3.49 -0.07 0.00 -0.72 0.00 0.00 41.12 37.09 2qf0 n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2qf0 s LEU 127 N -3.44 3.78 0.02 -2.67 1.43 -1.17 -1.57 118.68 115.07 2qf0 s LEU 127 Ca 0.00 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2qf0 s LEU 127 Cb 0.00 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 2qf0 s LEU 127 CO 0.00 0.18 -0.06 0.00 0.23 0.00 0.00 176.35 176.70 2qf0 s ALA 128 N -1.37 0.45 -0.20 4.21 0.00 -0.36 -1.69 121.76 122.81 2qf0 s ALA 128 Ca 0.29 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 2qf0 s ALA 128 Cb -0.12 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 2qf0 s ALA 128 CO 0.21 0.00 -0.08 0.08 0.00 0.00 0.00 175.76 175.98 2qf0 s VAL 129 N -0.96 3.15 0.37 0.00 1.01 -0.59 -1.10 120.40 122.29 2qf0 s VAL 129 Ca -0.07 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.41 2qf0 s VAL 129 Cb -0.07 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 2qf0 s VAL 129 CO 0.00 0.46 0.42 -0.76 0.00 0.00 0.00 175.10 175.22 2qf0 s LEU 130 N 1.22 3.68 -0.06 3.92 1.43 0.12 0.26 118.68 129.24 2qf0 s LEU 130 Ca 0.02 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2qf0 s LEU 130 Cb -0.14 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 43.68 2qf0 s LEU 130 CO -0.03 -0.52 0.14 -0.75 0.23 0.00 0.00 176.35 175.43 2qf0 s LYS 131 N -4.15 0.08 0.05 1.70 2.47 -0.47 -0.92 119.74 118.50 2qf0 s LYS 131 Ca 0.46 0.38 0.08 0.00 -1.56 0.00 0.00 55.97 55.33 2qf0 s LYS 131 Cb -0.07 -0.19 -0.03 0.00 -1.46 0.00 0.00 37.83 36.08 2qf0 s LYS 131 CO 0.29 -0.17 -0.23 0.96 0.16 0.00 0.00 175.35 176.36 2qf0 s ILE 132 N 1.23 1.84 -0.37 5.43 -4.36 -0.92 -1.28 121.20 122.77 2qf0 s ILE 132 Ca -0.09 -1.30 -0.12 0.00 -0.26 0.00 0.00 60.65 58.89 2qf0 s ILE 132 Cb -0.12 -1.60 0.02 0.00 1.25 0.00 0.00 42.46 42.01 2qf0 s ILE 132 CO -0.06 0.24 0.22 0.20 0.24 0.00 0.00 174.94 175.78 2qf0 s ASN 133 N -1.27 5.80 0.01 4.36 0.01 -1.26 -4.53 114.94 118.06 2qf0 s ASN 133 Ca 0.09 -0.87 0.07 0.00 -0.71 0.00 0.00 52.86 51.45 2qf0 s ASN 133 Cb -0.09 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 2qf0 s ASN 133 CO 0.02 -0.36 -0.23 0.00 -1.51 0.00 0.00 177.10 175.03 2qf0 s ALA 134 N 1.60 1.89 0.00 0.60 0.00 -1.26 -5.01 121.76 119.58 2qf0 s ALA 134 Ca 0.03 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2qf0 s ALA 134 Cb -0.19 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2qf0 s ALA 134 CO 0.07 0.45 0.34 2.41 0.00 0.00 0.00 175.76 179.04 2qf0 n THR 135 N 2.23 0.00 -0.62 0.00 -1.04 -1.26 -4.84 114.28 108.75 2qf0 n THR 135 Ca -0.16 0.67 -0.31 0.00 -2.04 0.00 0.00 64.05 62.21 2qf0 n THR 135 Cb 0.52 -1.33 0.20 0.00 -1.82 0.00 0.00 70.33 67.90 2qf0 n THR 135 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qf0 n GLY 136 N 0.69 -2.19 3.78 3.41 0.00 -1.26 -4.94 105.19 104.69 2qf0 n GLY 136 Ca 0.00 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 2qf0 n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qf0 s GLY 137 N -2.08 2.03 -0.03 -0.02 0.00 -1.26 -5.04 107.32 100.92 2qf0 s GLY 137 Ca 0.61 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.76 2qf0 s GLY 137 CO 0.66 0.76 -0.02 1.08 0.00 0.00 0.00 173.10 175.57 2qf0 s LEU 138 N -4.98 3.41 0.28 0.66 1.43 -1.26 -5.09 118.68 113.13 2qf0 s LEU 138 Ca 0.64 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.46 2qf0 s LEU 138 Cb -0.18 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 2qf0 s LEU 138 CO 0.43 0.32 1.07 -2.16 0.23 0.00 0.00 176.35 176.24 2qf0 s PRO 139 N -1.22 4.65 0.24 1.29 0.04 -1.26 -4.80 135.00 133.93 2qf0 s PRO 139 Ca 0.16 1.73 0.11 0.00 0.04 0.00 0.00 61.00 63.04 2qf0 s PRO 139 Cb -0.11 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 2qf0 s PRO 139 CO 0.06 0.24 -0.21 0.95 0.04 0.00 0.00 177.00 178.09 2qf0 s THR 140 N -1.20 2.36 -0.01 1.26 -4.23 -1.26 -4.59 115.64 107.96 2qf0 s THR 140 Ca 0.45 -2.25 -0.30 0.00 -1.18 0.00 0.00 61.69 58.41 2qf0 s THR 140 Cb -0.30 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 2qf0 s THR 140 CO 0.38 -0.32 0.97 -0.51 -0.54 0.00 0.00 174.62 174.60 2qf0 s ILE 141 N -2.25 4.87 0.02 2.99 1.10 -0.89 -4.73 121.20 122.31 2qf0 s ILE 141 Ca 0.26 2.03 -0.30 0.00 -0.51 0.00 0.00 60.65 62.13 2qf0 s ILE 141 Cb -0.06 -4.31 -0.08 0.00 0.15 0.00 0.00 42.46 38.17 2qf0 s ILE 141 CO 0.12 0.15 1.81 -2.84 -2.11 0.00 0.00 174.94 172.08 2qf0 s PRO 142 N 1.09 4.16 -0.14 3.50 0.02 -1.26 -4.95 135.00 137.42 2qf0 s PRO 142 Ca 0.51 2.43 0.01 0.00 0.02 0.00 0.00 61.00 63.97 2qf0 s PRO 142 Cb -0.21 -3.99 -0.01 0.00 0.02 0.00 0.00 34.50 30.32 2qf0 s PRO 142 CO 0.27 -0.88 -0.15 0.42 -0.33 0.00 0.00 177.00 176.32 2qf0 s ILE 143 N 3.95 2.73 -0.52 2.83 1.01 -1.26 -1.68 121.20 128.25 2qf0 s ILE 143 Ca 0.81 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2qf0 s ILE 143 Cb -0.39 -2.14 0.13 0.00 0.01 0.00 0.00 42.46 40.07 2qf0 s ILE 143 CO 0.36 0.52 0.28 0.21 0.00 0.00 0.00 174.94 176.31 2qf0 s ASN 144 N 0.60 4.60 0.48 3.58 3.84 -1.26 -4.97 114.94 121.80 2qf0 s ASN 144 Ca -0.09 -2.86 0.19 0.00 0.21 0.00 0.00 52.86 50.31 2qf0 s ASN 144 Cb -0.16 -1.69 1.20 0.00 -0.55 0.00 0.00 41.25 40.05 2qf0 s ASN 144 CO 0.03 -0.29 1.99 0.00 -2.79 0.00 0.00 177.10 176.04 2qf0 h ALA 145 N 6.78 2.23 0.00 1.71 0.00 -1.97 -1.72 119.26 126.28 2qf0 h ALA 145 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qf0 h ALA 145 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2qf0 h ALA 145 CO 0.68 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.55 2qf0 h ARG 146 N 0.22 0.00 -6.86 0.00 3.08 -2.03 -3.46 114.38 105.32 2qf0 h ARG 146 Ca 0.27 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.79 2qf0 h ARG 146 Cb 0.75 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.86 2qf0 h ARG 146 CO -0.05 0.00 0.65 0.50 -1.07 0.00 0.00 179.97 180.00 2qf0 s ARG 147 N -3.19 4.36 -0.20 0.04 6.06 -0.65 -5.03 118.95 120.34 2qf0 s ARG 147 Ca 0.08 2.21 0.01 0.00 -2.50 0.00 0.00 55.73 55.53 2qf0 s ARG 147 Cb 0.08 -3.08 0.03 0.00 0.06 0.00 0.00 34.95 32.04 2qf0 s ARG 147 CO 0.62 -0.20 -0.18 0.08 -2.50 0.00 0.00 175.30 173.13 2qf0 s VAL 148 N -0.99 2.10 0.27 7.11 1.01 -1.26 -5.05 120.40 123.58 2qf0 s VAL 148 Ca 0.50 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 2qf0 s VAL 148 Cb -0.40 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.91 2qf0 s VAL 148 CO 0.51 0.40 1.40 -2.84 0.00 0.00 0.00 175.10 174.57 2qf0 s PRO 149 N 1.24 4.29 0.04 2.72 0.02 -1.26 -5.04 135.00 137.02 2qf0 s PRO 149 Ca 0.02 2.27 0.07 0.00 0.02 0.00 0.00 61.00 63.37 2qf0 s PRO 149 Cb -0.15 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 2qf0 s PRO 149 CO -0.11 -0.35 -0.19 -1.01 -0.33 0.00 0.00 177.00 175.00 2qf0 s HIS 150 N -0.30 1.69 0.07 6.54 3.76 -1.26 -5.00 115.29 120.79 2qf0 s HIS 150 Ca 0.56 -0.37 -0.31 0.00 -0.15 0.00 0.00 55.06 54.80 2qf0 s HIS 150 Cb -0.41 -1.01 -0.08 0.00 1.11 0.00 0.00 32.58 32.19 2qf0 s HIS 150 CO 0.46 0.08 1.68 0.42 -0.85 0.00 0.00 174.74 176.53 2qf0 s ILE 151 N -0.80 2.99 0.00 0.60 1.01 -1.26 -1.68 121.20 122.05 2qf0 s ILE 151 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2qf0 s ILE 151 Cb -0.09 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2qf0 s ILE 151 CO 0.02 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2qf0 n GLY 152 N 4.04 0.81 3.77 6.18 0.00 -0.24 -4.99 105.19 114.76 2qf0 n GLY 152 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2qf0 n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qf0 s ASP 153 N -1.95 5.97 0.00 1.61 1.11 -0.68 -4.73 116.67 118.01 2qf0 s ASP 153 Ca 0.00 2.83 -0.28 0.00 0.18 0.00 0.00 52.55 55.28 2qf0 s ASP 153 Cb 0.00 -2.65 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 2qf0 s ASP 153 CO 0.00 -1.10 0.89 -0.69 1.18 0.00 0.00 175.17 175.45 2qf0 s VAL 154 N -1.23 4.85 0.15 -1.27 1.01 -1.26 -1.55 120.40 121.10 2qf0 s VAL 154 Ca 0.60 1.86 0.04 0.00 0.00 0.00 0.00 61.98 64.48 2qf0 s VAL 154 Cb -0.42 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 2qf0 s VAL 154 CO 0.53 0.23 -0.07 0.68 0.00 0.00 0.00 175.10 176.47 2qf0 s VAL 155 N 0.71 1.04 -0.06 2.92 -7.23 -0.54 -3.02 120.40 114.22 2qf0 s VAL 155 Ca 0.46 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2qf0 s VAL 155 Cb -0.20 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.83 2qf0 s VAL 155 CO 0.25 -0.68 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.50 2qf0 s LEU 156 N -3.17 1.57 -0.05 1.32 1.43 0.18 -1.36 118.68 118.60 2qf0 s LEU 156 Ca 0.18 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 2qf0 s LEU 156 Cb 0.04 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 2qf0 s LEU 156 CO 0.01 0.01 0.45 0.00 0.23 0.00 0.00 176.35 177.05 2qf0 s ALA 157 N 0.69 3.59 -0.14 4.21 0.00 0.57 -1.42 121.76 129.26 2qf0 s ALA 157 Ca -0.13 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.64 2qf0 s ALA 157 Cb -0.15 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.47 2qf0 s ALA 157 CO 0.03 0.25 -0.15 0.42 0.00 0.00 0.00 175.76 176.31 2qf0 s ILE 158 N -0.29 1.59 0.00 0.00 1.01 0.05 -1.70 121.20 121.86 2qf0 s ILE 158 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2qf0 s ILE 158 Cb -0.16 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2qf0 s ILE 158 CO 0.12 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2qf0 n GLY 159 N 4.69 2.10 2.43 6.18 0.00 -0.92 -2.60 105.19 117.07 2qf0 n GLY 159 Ca -0.17 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 2qf0 n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qf0 n ASN 160 N -0.22 2.45 -4.76 1.61 5.15 -1.19 0.01 115.26 118.33 2qf0 n ASN 160 Ca 0.00 -3.22 -0.41 0.00 -0.60 0.00 0.00 54.58 50.35 2qf0 n ASN 160 Cb 0.00 -0.63 -0.02 0.00 -0.53 0.00 0.00 39.78 38.60 2qf0 n ASN 160 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2qf0 s PRO 161 N -2.34 4.23 -0.83 1.20 0.04 -1.26 -2.78 135.00 133.26 2qf0 s PRO 161 Ca 0.41 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2qf0 s PRO 161 Cb 0.22 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2qf0 s PRO 161 CO -0.08 -0.44 0.00 0.66 0.04 0.00 0.00 177.00 177.19 2qf0 n TYR 162 N 1.71 -1.46 -4.01 0.56 4.02 -0.20 -1.50 117.16 116.27 2qf0 n TYR 162 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.62 2qf0 n TYR 162 Cb 0.40 -2.33 0.01 0.00 -0.02 0.00 0.00 39.34 37.40 2qf0 n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qf0 n ASN 163 N -1.58 -4.29 0.09 7.72 5.15 -1.12 -4.86 115.26 116.38 2qf0 n ASN 163 Ca -0.11 -0.85 0.12 0.00 -0.60 0.00 0.00 54.58 53.14 2qf0 n ASN 163 Cb 0.56 -3.53 0.20 0.00 -0.53 0.00 0.00 39.78 36.49 2qf0 n ASN 163 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2qf0 h LEU 164 N -1.90 0.00 0.00 1.20 3.38 -1.49 -3.50 115.31 113.00 2qf0 h LEU 164 Ca -0.58 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2qf0 h LEU 164 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2qf0 h LEU 164 CO 0.71 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.91 2qf0 n GLY 165 N 1.29 2.50 3.71 0.83 0.00 -1.26 -5.00 105.19 107.26 2qf0 n GLY 165 Ca 0.03 -2.03 -0.60 0.00 0.00 0.00 0.00 46.02 43.42 2qf0 n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qf0 n GLN 166 N 0.05 0.77 -4.99 1.61 7.27 -1.26 -4.53 117.38 116.31 2qf0 n GLN 166 Ca 0.00 0.28 -0.29 0.00 0.07 0.00 0.00 57.00 57.06 2qf0 n GLN 166 Cb 0.00 -1.90 -0.15 0.00 2.41 0.00 0.00 30.24 30.59 2qf0 n GLN 166 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2qf0 s THR 167 N 3.09 1.95 -0.14 1.69 2.01 0.10 -4.97 115.64 119.38 2qf0 s THR 167 Ca 0.99 -1.20 0.03 0.00 0.31 0.00 0.00 61.69 61.82 2qf0 s THR 167 Cb -1.20 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 69.67 2qf0 s THR 167 CO 0.69 0.41 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.18 2qf0 s ILE 168 N -0.70 2.11 0.14 1.82 -1.09 -1.26 -2.16 121.20 120.05 2qf0 s ILE 168 Ca 0.10 -0.97 0.10 0.00 -2.23 0.00 0.00 60.65 57.65 2qf0 s ILE 168 Cb -0.09 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.91 2qf0 s ILE 168 CO 0.01 0.55 -0.23 0.42 -1.23 0.00 0.00 174.94 174.46 2qf0 s THR 169 N 0.75 1.99 0.08 2.92 -4.23 -0.69 -4.96 115.64 111.50 2qf0 s THR 169 Ca -0.09 -1.75 0.10 0.00 -1.18 0.00 0.00 61.69 58.77 2qf0 s THR 169 Cb -0.16 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 2qf0 s THR 169 CO -0.00 -0.07 -0.26 -1.58 -0.54 0.00 0.00 174.62 172.17 2qf0 s GLN 170 N -2.23 1.58 0.00 3.99 -0.44 -1.26 -0.32 119.66 120.99 2qf0 s GLN 170 Ca 0.12 -1.17 0.00 0.00 -2.50 0.00 0.00 55.36 51.81 2qf0 s GLN 170 Cb -0.09 -1.87 0.00 0.00 -1.64 0.00 0.00 33.01 29.41 2qf0 s GLN 170 CO 0.06 0.47 0.00 0.41 0.50 0.00 0.00 175.29 176.73 2qf0 n GLY 171 N 1.46 2.70 3.17 2.59 0.00 -0.47 -4.50 105.19 110.15 2qf0 n GLY 171 Ca -0.17 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 2qf0 n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qf0 s ILE 172 N -0.62 0.13 -0.13 -0.61 -4.36 -1.26 -1.47 121.20 112.89 2qf0 s ILE 172 Ca 0.00 -1.10 -0.29 0.00 -0.26 0.00 0.00 60.65 59.00 2qf0 s ILE 172 Cb 0.00 -1.12 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 2qf0 s ILE 172 CO 0.00 -0.61 1.53 -0.63 0.24 0.00 0.00 174.94 175.48 2qf0 s ILE 173 N -3.18 3.81 -0.20 8.37 1.01 -0.60 -2.76 121.20 127.65 2qf0 s ILE 173 Ca -0.00 0.96 0.21 0.00 0.00 0.00 0.00 60.65 61.82 2qf0 s ILE 173 Cb 0.02 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2qf0 s ILE 173 CO -0.07 -0.14 0.98 -1.20 0.00 0.00 0.00 174.94 174.50 2qf0 n SER 174 N 7.30 0.86 -3.57 3.58 7.64 0.34 -1.07 113.62 128.71 2qf0 n SER 174 Ca 0.17 0.35 -0.12 0.00 1.01 0.00 0.00 58.87 60.27 2qf0 n SER 174 Cb 0.44 0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 2qf0 n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qf0 s ALA 175 N -3.23 -1.89 -0.56 -0.43 0.00 -1.13 -4.91 121.76 109.61 2qf0 s ALA 175 Ca -0.01 1.54 0.06 0.00 0.00 0.00 0.00 51.96 53.55 2qf0 s ALA 175 Cb 0.09 -0.57 0.30 0.00 0.00 0.00 0.00 23.12 22.95 2qf0 s ALA 175 CO 0.80 -0.32 0.82 0.25 0.00 0.00 0.00 175.76 177.30 2qf0 n THR 176 N 0.87 2.12 0.00 0.00 -2.24 -1.26 -0.71 114.28 113.06 2qf0 n THR 176 Ca -0.13 -5.21 0.00 0.00 -2.27 0.00 0.00 64.05 56.45 2qf0 n THR 176 Cb 0.58 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 2qf0 n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qf0 n GLY 177 N 0.34 1.58 3.18 3.38 0.00 -0.32 -4.90 105.19 108.44 2qf0 n GLY 177 Ca 0.29 -1.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.20 2qf0 n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 178 N -2.46 0.86 -0.20 1.61 1.81 -0.53 -4.91 118.95 115.13 2qf0 s ARG 178 Ca 0.00 -1.04 0.03 0.00 -1.72 0.00 0.00 55.73 53.00 2qf0 s ARG 178 Cb 0.00 -0.78 -0.21 0.00 -0.45 0.00 0.00 34.95 33.51 2qf0 s ARG 178 CO 0.00 0.16 0.05 1.51 -0.68 0.00 0.00 175.30 176.34 2qf0 n ILE 179 N 1.02 1.56 -2.79 1.52 0.13 -1.26 -4.63 119.36 114.91 2qf0 n ILE 179 Ca -0.19 -0.66 -0.22 0.00 -1.10 0.00 0.00 62.75 60.58 2qf0 n ILE 179 Cb 0.55 -1.32 0.09 0.00 -0.84 0.00 0.00 39.64 38.13 2qf0 n ILE 179 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 2qf0 s GLY 180 N -6.00 1.73 0.15 4.50 0.00 -1.26 -5.05 107.32 101.39 2qf0 s GLY 180 Ca -0.25 -1.98 -0.30 0.00 0.00 0.00 0.00 44.72 42.19 2qf0 s GLY 180 CO 0.70 -1.42 1.09 1.08 0.00 0.00 0.00 173.10 174.55 2qf0 s LEU 181 N -4.97 4.47 0.16 0.66 1.43 -1.26 -4.94 118.68 114.23 2qf0 s LEU 181 Ca 0.65 2.03 -0.02 0.00 -1.03 0.00 0.00 54.13 55.76 2qf0 s LEU 181 Cb -0.05 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2qf0 s LEU 181 CO 0.43 -0.24 0.11 0.54 0.23 0.00 0.00 176.35 177.42 2qf0 s ASN 182 N 0.09 0.23 0.59 2.29 2.20 -1.26 -5.05 114.94 114.03 2qf0 s ASN 182 Ca 0.50 -1.21 0.30 0.00 -0.94 0.00 0.00 52.86 51.51 2qf0 s ASN 182 Cb -0.28 0.34 1.36 0.00 -2.00 0.00 0.00 41.25 40.66 2qf0 s ASN 182 CO 0.33 -0.79 1.72 -0.65 -2.94 0.00 0.00 177.10 174.77 2qf0 h PRO 183 N 2.75 0.00 0.00 3.55 0.11 -1.95 0.28 132.00 136.74 2qf0 h PRO 183 Ca -0.35 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 2qf0 h PRO 183 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2qf0 h PRO 183 CO 0.56 0.00 -0.45 1.79 -0.21 0.00 0.00 178.00 179.69 2qf0 h THR 184 N 0.00 0.78 0.00 -1.15 1.35 -2.00 -3.47 112.91 108.42 2qf0 h THR 184 Ca 0.37 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 2qf0 h THR 184 Cb 1.91 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.70 2qf0 h THR 184 CO -0.00 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 2qf0 n GLY 185 N 1.17 0.92 3.64 5.82 0.00 0.99 -5.01 105.19 112.71 2qf0 n GLY 185 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2qf0 n GLY 185 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 186 N -0.05 2.00 0.00 1.61 1.81 -1.26 -4.96 118.95 118.10 2qf0 s ARG 186 Ca 0.00 -2.19 0.00 0.00 -1.72 0.00 0.00 55.73 51.82 2qf0 s ARG 186 Cb 0.00 -1.49 0.00 0.00 -0.45 0.00 0.00 34.95 33.01 2qf0 s ARG 186 CO 0.00 -0.18 0.15 1.04 -0.68 0.00 0.00 175.30 175.63 2qf0 n GLN 187 N -1.03 2.17 -0.64 3.54 1.13 -1.26 -4.69 117.38 116.59 2qf0 n GLN 187 Ca -0.09 -0.15 0.01 0.00 -1.94 0.00 0.00 57.00 54.82 2qf0 n GLN 187 Cb 0.67 -0.56 0.22 0.00 0.11 0.00 0.00 30.24 30.67 2qf0 n GLN 187 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2qf0 n ASN 188 N -0.35 3.06 -4.75 1.08 4.13 -1.26 -1.46 115.26 115.70 2qf0 n ASN 188 Ca 0.00 -3.44 -0.38 0.00 1.68 0.00 0.00 54.58 52.44 2qf0 n ASN 188 Cb 0.04 -0.60 -0.06 0.00 -1.54 0.00 0.00 39.78 37.62 2qf0 n ASN 188 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2qf0 s PHE 189 N -3.07 3.57 0.14 3.10 0.08 -1.26 -4.34 117.98 116.20 2qf0 s PHE 189 Ca 0.43 0.93 -0.26 0.00 0.12 0.00 0.00 56.93 58.15 2qf0 s PHE 189 Cb 0.38 -2.49 -0.07 0.00 -0.57 0.00 0.00 43.02 40.26 2qf0 s PHE 189 CO 0.04 0.29 0.79 -0.51 -0.10 0.00 0.00 175.22 175.72 2qf0 s LEU 190 N 0.19 4.57 -0.04 -0.37 1.43 -0.79 -1.17 118.68 122.48 2qf0 s LEU 190 Ca 0.25 1.62 0.05 0.00 -1.03 0.00 0.00 54.13 55.03 2qf0 s LEU 190 Cb -0.16 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 2qf0 s LEU 190 CO 0.11 0.16 -0.19 -1.58 0.23 0.00 0.00 176.35 175.09 2qf0 s GLN 191 N -0.89 2.40 0.05 1.70 0.74 0.11 -1.86 119.66 121.91 2qf0 s GLN 191 Ca 0.37 -0.78 -0.02 0.00 0.05 0.00 0.00 55.36 54.98 2qf0 s GLN 191 Cb -0.23 -2.26 -0.03 0.00 1.10 0.00 0.00 33.01 31.59 2qf0 s GLN 191 CO 0.26 0.58 0.00 -0.08 -0.55 0.00 0.00 175.29 175.50 2qf0 s THR 192 N -0.63 0.19 -0.31 -0.34 -1.32 -0.22 0.13 115.64 113.14 2qf0 s THR 192 Ca 0.09 -1.55 0.16 0.00 -1.21 0.00 0.00 61.69 59.18 2qf0 s THR 192 Cb -0.11 -1.25 0.52 0.00 -1.51 0.00 0.00 72.50 70.15 2qf0 s THR 192 CO 0.00 -0.86 1.42 -0.90 -2.21 0.00 0.00 174.62 172.08 2qf0 n ASP 193 N 0.39 3.88 -4.64 8.08 5.75 -1.11 -0.64 116.55 128.25 2qf0 n ASP 193 Ca -0.16 -2.86 -0.43 0.00 -0.01 0.00 0.00 54.79 51.33 2qf0 n ASP 193 Cb 0.60 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 2qf0 n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qf0 s ALA 194 N -2.55 3.47 -0.25 2.12 0.00 -1.26 -4.69 121.76 118.60 2qf0 s ALA 194 Ca 0.40 0.05 -0.43 0.00 0.00 0.00 0.00 51.96 51.98 2qf0 s ALA 194 Cb 0.31 -3.70 -0.20 0.00 0.00 0.00 0.00 23.12 19.53 2qf0 s ALA 194 CO 0.11 -1.55 1.34 0.43 0.00 0.00 0.00 175.76 176.09 2qf0 n SER 195 N 7.09 0.65 -4.09 0.00 7.64 -1.26 -4.81 113.62 118.83 2qf0 n SER 195 Ca 0.13 1.17 -0.28 0.00 1.01 0.00 0.00 58.87 60.90 2qf0 n SER 195 Cb 0.47 -0.91 -0.17 0.00 -1.01 0.00 0.00 64.21 62.59 2qf0 n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2qf0 s ILE 196 N 1.54 1.52 0.38 0.44 -1.09 -1.26 -4.81 121.20 117.92 2qf0 s ILE 196 Ca 0.98 -0.69 0.04 0.00 -2.23 0.00 0.00 60.65 58.74 2qf0 s ILE 196 Cb -1.38 -1.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 2qf0 s ILE 196 CO 0.69 0.44 0.08 0.20 -1.23 0.00 0.00 174.94 175.12 2qf0 s ASN 197 N 0.64 2.79 0.13 3.58 0.01 -1.26 -4.83 114.94 115.99 2qf0 s ASN 197 Ca -0.14 -1.52 -0.31 0.00 -0.71 0.00 0.00 52.86 50.18 2qf0 s ASN 197 Cb -0.16 0.20 -0.10 0.00 0.41 0.00 0.00 41.25 41.59 2qf0 s ASN 197 CO 0.04 -0.75 1.83 -2.28 -1.51 0.00 0.00 177.10 174.43 2qf0 s HIS 198 N -3.19 2.16 0.00 2.20 5.65 -1.26 -1.25 115.29 119.59 2qf0 s HIS 198 Ca 0.28 -0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.57 2qf0 s HIS 198 Cb 0.06 -4.18 0.00 0.00 -1.18 0.00 0.00 32.58 27.27 2qf0 s HIS 198 CO 0.14 -4.88 0.00 0.41 -0.65 0.00 0.00 174.74 169.76 2qf0 n GLY 199 N 4.23 2.19 0.08 1.59 0.00 -1.26 -1.03 105.19 111.00 2qf0 n GLY 199 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 2qf0 n GLY 199 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qf0 h ASN 200 N 0.15 0.00 -1.12 1.61 4.21 -1.41 -3.13 115.58 115.90 2qf0 h ASN 200 Ca 0.00 0.00 -0.71 0.00 1.21 0.00 0.00 56.30 56.80 2qf0 h ASN 200 Cb 0.00 0.00 0.08 0.00 -1.12 0.00 0.00 38.32 37.28 2qf0 h ASN 200 CO 0.00 0.86 -0.22 -1.20 -1.29 0.00 0.00 177.43 175.58 2qf0 n SER 201 N -3.41 -0.50 0.00 5.81 7.64 -1.26 0.01 113.62 121.90 2qf0 n SER 201 Ca 0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2qf0 n SER 201 Cb 0.85 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2qf0 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qf0 n GLY 202 N 1.80 2.60 3.71 0.23 0.00 -0.38 0.04 105.19 113.19 2qf0 n GLY 202 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2qf0 n GLY 202 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qf0 s GLY 203 N -1.92 1.68 0.03 -0.02 0.00 0.10 -3.36 107.32 103.83 2qf0 s GLY 203 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2qf0 s GLY 203 CO 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 173.10 172.97 2qf0 s ALA 204 N -3.37 3.76 -0.20 3.20 0.00 -1.07 -1.45 121.76 122.62 2qf0 s ALA 204 Ca 0.74 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2qf0 s ALA 204 Cb -0.06 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.43 2qf0 s ALA 204 CO 0.55 0.75 -0.15 -1.17 0.00 0.00 0.00 175.76 175.74 2qf0 s LEU 205 N -2.12 2.47 0.19 0.00 2.96 -0.30 -0.77 118.68 121.11 2qf0 s LEU 205 Ca 0.28 -0.89 0.08 0.00 -0.22 0.00 0.00 54.13 53.38 2qf0 s LEU 205 Cb -0.12 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 2qf0 s LEU 205 CO 0.20 -0.09 -0.16 0.68 -1.32 0.00 0.00 176.35 175.67 2qf0 s VAL 206 N 1.28 1.73 0.71 1.68 -7.23 -0.50 -2.12 120.40 115.94 2qf0 s VAL 206 Ca -0.00 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.03 2qf0 s VAL 206 Cb -0.16 -1.94 0.15 0.00 0.56 0.00 0.00 36.38 34.99 2qf0 s VAL 206 CO -0.10 -0.50 0.96 -0.46 -0.31 0.00 0.00 175.10 174.70 2qf0 n ASN 207 N -0.10 0.79 0.09 4.85 0.23 -0.82 0.47 115.26 120.76 2qf0 n ASN 207 Ca -0.10 -1.78 0.06 0.00 -0.53 0.00 0.00 54.58 52.22 2qf0 n ASN 207 Cb 0.59 -0.67 0.30 0.00 -2.08 0.00 0.00 39.78 37.91 2qf0 n ASN 207 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2qf0 n SER 208 N -3.21 0.28 -0.67 0.53 3.41 -1.17 -0.82 113.62 111.98 2qf0 n SER 208 Ca 0.14 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 2qf0 n SER 208 Cb 0.51 -0.62 0.10 0.00 -0.26 0.00 0.00 64.21 63.93 2qf0 n SER 208 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qf0 n LEU 209 N -1.87 2.34 0.00 1.04 4.77 -1.26 -3.85 117.00 118.17 2qf0 n LEU 209 Ca -0.01 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 2qf0 n LEU 209 Cb 0.07 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2qf0 n LEU 209 CO 0.05 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2qf0 n GLY 210 N 1.37 0.56 3.76 -0.72 0.00 0.00 -4.66 105.19 105.49 2qf0 n GLY 210 Ca 0.12 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 2qf0 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qf0 s GLU 211 N -1.62 4.18 0.96 1.61 2.02 -1.26 -4.25 118.70 120.35 2qf0 s GLU 211 Ca 0.00 0.35 -0.10 0.00 0.02 0.00 0.00 54.97 55.23 2qf0 s GLU 211 Cb 0.00 -3.36 0.17 0.00 0.10 0.00 0.00 34.13 31.04 2qf0 s GLU 211 CO 0.00 0.35 1.13 -1.17 0.02 0.00 0.00 175.26 175.58 2qf0 s LEU 212 N 0.04 2.47 0.00 1.80 2.96 -0.68 -1.95 118.68 123.33 2qf0 s LEU 212 Ca 0.23 2.09 -0.05 0.00 -0.22 0.00 0.00 54.13 56.17 2qf0 s LEU 212 Cb -0.15 -4.37 0.14 0.00 0.50 0.00 0.00 46.19 42.32 2qf0 s LEU 212 CO 0.10 -3.34 0.93 0.61 -1.32 0.00 0.00 176.35 173.32 2qf0 n GLY 214 N 0.37 -0.08 3.27 7.98 0.00 -0.90 -4.74 105.19 111.09 2qf0 n GLY 214 Ca 0.10 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2qf0 n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf0 s ILE 215 N -2.84 3.16 0.56 -0.61 -1.09 -0.12 -1.15 121.20 119.11 2qf0 s ILE 215 Ca 0.58 -0.62 -0.20 0.00 -2.23 0.00 0.00 60.65 58.18 2qf0 s ILE 215 Cb -0.03 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.36 2qf0 s ILE 215 CO 0.39 0.40 1.20 0.20 -1.23 0.00 0.00 174.94 175.90 2qf0 s ASN 216 N 1.44 5.41 0.39 3.58 0.01 -0.53 -0.31 114.94 124.93 2qf0 s ASN 216 Ca 0.05 2.36 0.04 0.00 -0.71 0.00 0.00 52.86 54.61 2qf0 s ASN 216 Cb -0.14 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 38.86 2qf0 s ASN 216 CO -0.05 -1.44 0.04 -0.89 -1.51 0.00 0.00 177.10 173.26 2qf0 s THR 217 N -1.60 1.37 0.07 1.60 2.01 -0.58 -1.25 115.64 117.26 2qf0 s THR 217 Ca 0.75 -2.00 -0.33 0.00 0.31 0.00 0.00 61.69 60.41 2qf0 s THR 217 Cb -0.30 -2.72 -0.18 0.00 0.01 0.00 0.00 72.50 69.31 2qf0 s THR 217 CO 0.33 0.00 0.81 0.18 -0.69 0.00 0.00 174.62 175.25 2qf0 n LEU 218 N -0.88 -0.46 -4.76 4.42 4.77 -1.26 -4.64 117.00 114.20 2qf0 n LEU 218 Ca -0.06 1.08 -0.40 0.00 -0.03 0.00 0.00 56.01 56.60 2qf0 n LEU 218 Cb 0.67 -0.88 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 2qf0 n LEU 218 CO 0.43 -2.19 0.83 -0.94 -1.33 0.00 0.00 177.39 174.19 2qf0 s SER 219 N -0.36 7.17 0.08 -1.43 1.04 -1.26 -4.67 113.70 114.27 2qf0 s SER 219 Ca 0.76 2.33 -0.31 0.00 0.48 0.00 0.00 55.95 59.21 2qf0 s SER 219 Cb -1.07 -2.63 -0.07 0.00 0.10 0.00 0.00 66.02 62.35 2qf0 s SER 219 CO 0.53 -0.23 1.38 0.12 0.98 0.00 0.00 173.24 176.03 2qf0 s PHE 220 N -1.05 3.14 0.10 5.02 5.36 -1.26 -5.03 117.98 124.25 2qf0 s PHE 220 Ca 0.46 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 57.39 2qf0 s PHE 220 Cb -0.33 -3.66 -0.04 0.00 -0.34 0.00 0.00 43.02 38.65 2qf0 s PHE 220 CO 0.43 -2.32 -0.08 -0.51 -1.46 0.00 0.00 175.22 171.28 2qf0 s ASP 221 N 1.35 1.24 0.00 6.13 1.01 -1.26 -4.71 116.67 120.43 2qf0 s ASP 221 Ca 0.64 -0.92 0.00 0.00 0.71 0.00 0.00 52.55 52.98 2qf0 s ASP 221 Cb -0.35 0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.64 2qf0 s ASP 221 CO 0.29 -0.39 0.00 1.17 0.21 0.00 0.00 175.17 176.46 2qf0 n LYS 222 N 0.21 0.00 -3.96 8.23 4.81 -1.26 -4.93 118.16 121.26 2qf0 n LYS 222 Ca -0.14 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.00 2qf0 n LYS 222 Cb 0.60 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.49 2qf0 n LYS 222 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2qf0 s THR 228 N 0.00 1.72 0.40 3.15 -1.32 -1.26 -5.10 115.64 113.23 2qf0 s THR 228 Ca 0.00 -1.46 -0.25 0.00 -1.21 0.00 0.00 61.69 58.77 2qf0 s THR 228 Cb 0.00 -2.00 -0.11 0.00 -1.51 0.00 0.00 72.50 68.88 2qf0 s THR 228 CO 0.00 -0.19 0.98 -2.65 -2.21 0.00 0.00 174.62 170.55 2qf0 n PRO 229 N 4.58 1.31 -4.30 7.08 -0.02 -1.26 -5.04 135.00 137.35 2qf0 n PRO 229 Ca -0.10 0.47 -0.19 0.00 -2.02 0.00 0.00 63.50 61.66 2qf0 n PRO 229 Cb 0.43 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 31.78 2qf0 n PRO 229 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2qf0 s GLU 230 N -1.92 0.83 -1.31 -0.52 2.12 -1.26 -4.86 118.70 111.79 2qf0 s GLU 230 Ca 0.62 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.70 2qf0 s GLU 230 Cb -0.58 -0.80 0.01 0.00 0.26 0.00 0.00 34.13 33.02 2qf0 s GLU 230 CO 0.57 0.07 0.80 0.41 -0.54 0.00 0.00 175.26 176.58 2qf0 n GLY 231 N 3.40 -0.33 2.68 -1.50 0.00 -1.26 -4.99 105.19 103.18 2qf0 n GLY 231 Ca -0.19 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2qf0 n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf0 s ILE 232 N -3.56 -0.19 0.08 -0.61 1.01 -1.25 -4.18 121.20 112.51 2qf0 s ILE 232 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 2qf0 s ILE 232 Cb -0.04 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 2qf0 s ILE 232 CO 0.79 -0.21 0.07 -0.83 0.00 0.00 0.00 174.94 174.77 2qf0 s GLY 233 N 2.22 0.47 0.17 6.18 0.00 0.19 -4.06 107.32 112.48 2qf0 s GLY 233 Ca 0.04 -1.08 0.07 0.00 0.00 0.00 0.00 44.72 43.76 2qf0 s GLY 233 CO -0.10 -1.15 -0.15 -1.36 0.00 0.00 0.00 173.10 170.34 2qf0 s PHE 234 N -3.93 1.65 0.03 1.90 0.40 -1.26 -1.05 117.98 115.72 2qf0 s PHE 234 Ca 0.10 -0.55 -0.13 0.00 -0.60 0.00 0.00 56.93 55.76 2qf0 s PHE 234 Cb 0.07 -0.81 0.02 0.00 0.51 0.00 0.00 43.02 42.81 2qf0 s PHE 234 CO -0.07 0.29 0.27 0.00 0.70 0.00 0.00 175.22 176.41 2qf0 s ALA 235 N -2.53 -0.61 -0.15 5.36 0.00 -0.78 -1.53 121.76 121.52 2qf0 s ALA 235 Ca 0.17 -0.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 2qf0 s ALA 235 Cb -0.03 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 2qf0 s ALA 235 CO 0.06 -0.36 0.55 0.42 0.00 0.00 0.00 175.76 176.43 2qf0 s ILE 236 N -2.25 5.11 0.40 0.00 -1.09 0.57 -1.89 121.20 122.05 2qf0 s ILE 236 Ca -0.07 1.07 -0.25 0.00 -2.23 0.00 0.00 60.65 59.17 2qf0 s ILE 236 Cb -0.02 -3.88 -0.11 0.00 -1.58 0.00 0.00 42.46 36.86 2qf0 s ILE 236 CO -0.02 0.22 0.94 -2.65 -1.23 0.00 0.00 174.94 172.21 2qf0 n PRO 237 N 4.33 1.23 0.13 2.79 -0.02 -1.26 -0.94 135.00 141.26 2qf0 n PRO 237 Ca -0.04 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.74 2qf0 n PRO 237 Cb 0.51 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 2qf0 n PRO 237 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qf0 h PHE 238 N 1.50 -0.28 -1.00 6.00 -5.15 -1.90 -0.70 116.94 115.41 2qf0 h PHE 238 Ca -0.43 -0.01 0.27 0.00 -0.20 0.00 0.00 57.97 57.60 2qf0 h PHE 238 Cb 1.35 0.09 -0.13 0.00 0.22 0.00 0.00 35.95 37.48 2qf0 h PHE 238 CO 0.43 -0.05 0.57 -0.56 -2.00 0.00 0.00 178.31 176.71 2qf0 h GLN 239 N -0.48 0.48 -0.09 6.09 -0.00 -1.91 0.36 115.11 119.56 2qf0 h GLN 239 Ca -0.03 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.54 2qf0 h GLN 239 Cb 0.36 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.73 2qf0 h GLN 239 CO 0.05 0.31 -0.14 1.25 -0.00 0.00 0.00 178.83 180.31 2qf0 h LEU 240 N 0.49 0.27 -1.79 0.06 5.85 -1.87 -2.36 115.31 115.96 2qf0 h LEU 240 Ca 0.67 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2qf0 h LEU 240 Cb 1.35 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2qf0 h LEU 240 CO -0.52 0.75 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 2qf0 h ALA 241 N 0.53 1.83 -0.12 1.25 0.00 0.68 -0.44 119.26 122.99 2qf0 h ALA 241 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2qf0 h ALA 241 Cb 0.70 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2qf0 h ALA 241 CO 0.03 0.13 -0.03 1.15 0.00 0.00 0.00 179.25 180.53 2qf0 h THR 242 N 0.13 1.29 -0.35 0.00 2.02 -0.35 -3.13 112.91 112.52 2qf0 h THR 242 Ca 0.03 -0.98 0.06 0.00 0.77 0.00 0.00 66.41 66.29 2qf0 h THR 242 Cb 0.09 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 2qf0 h THR 242 CO 0.00 0.28 0.04 0.50 0.37 0.00 0.00 175.52 176.71 2qf0 h LYS 243 N -0.08 0.14 -1.16 6.66 3.64 -0.77 -0.84 116.57 124.16 2qf0 h LYS 243 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qf0 h LYS 243 Cb 0.45 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2qf0 h LYS 243 CO 0.01 0.09 0.00 -0.89 -2.27 0.00 0.00 179.45 176.40 2qf0 n ILE 244 N -5.13 0.13 0.00 2.00 2.08 -0.26 -2.57 119.36 115.61 2qf0 n ILE 244 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2qf0 n ILE 244 Cb 0.17 -0.41 0.00 0.00 -0.75 0.00 0.00 39.64 38.65 2qf0 n ILE 244 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2qf0 n ASP 246 N 0.69 0.00 -0.06 4.38 8.00 -0.32 -1.54 116.55 127.70 2qf0 n ASP 246 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2qf0 n ASP 246 Cb 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.06 2qf0 n ASP 246 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qf0 n LYS 247 N 0.00 0.67 0.22 -1.24 5.02 -1.06 -4.12 118.16 117.66 2qf0 n LYS 247 Ca 0.00 0.36 0.07 0.00 -2.02 0.00 0.00 58.31 56.73 2qf0 n LYS 247 Cb 0.00 -1.69 0.60 0.00 -0.02 0.00 0.00 35.03 33.92 2qf0 n LYS 247 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qf0 h LEU 248 N -0.39 0.06 -0.02 -0.35 3.38 -1.56 0.92 115.31 117.35 2qf0 h LEU 248 Ca -0.43 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2qf0 h LEU 248 Cb 1.74 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2qf0 h LEU 248 CO -0.07 0.06 0.00 -0.38 0.09 0.00 0.00 178.44 178.14 2qf0 n ILE 249 N -4.51 1.08 -0.48 1.22 5.41 -1.26 -4.72 119.36 116.10 2qf0 n ILE 249 Ca -0.02 0.27 0.00 0.00 1.00 0.00 0.00 62.75 64.00 2qf0 n ILE 249 Cb 0.10 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 2qf0 n ILE 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09