#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 n ALA 2 N 0.00 0.00 0.98 3.04 0.00 -1.26 -3.78 120.51 119.49 1q48 n ALA 2 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1q48 n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1q48 n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1q48 n TYR 3 N 0.00 0.00 -4.27 0.00 4.02 -1.26 -4.96 117.16 110.69 1q48 n TYR 3 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1q48 n TYR 3 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 1q48 n TYR 3 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1q48 s SER 4 N -2.54 1.62 -0.28 7.72 0.15 -1.25 -4.89 113.70 114.23 1q48 s SER 4 Ca 0.16 -1.13 -0.01 0.00 0.70 0.00 0.00 55.95 55.68 1q48 s SER 4 Cb 0.17 0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 1q48 s SER 4 CO 0.62 -0.46 0.24 1.21 1.20 0.00 0.00 173.24 176.04 1q48 n GLU 5 N -0.28 -1.06 -0.06 5.44 4.07 -1.26 -4.72 120.64 122.76 1q48 n GLU 5 Ca -0.08 0.21 -0.06 0.00 -0.06 0.00 0.00 57.16 57.18 1q48 n GLU 5 Cb 0.62 -2.93 -0.05 0.00 -0.06 0.00 0.00 31.44 29.02 1q48 n GLU 5 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1q48 h LYS 6 N -0.36 0.00 -7.04 5.31 3.11 -1.90 -3.41 116.57 112.28 1q48 h LYS 6 Ca -0.15 0.00 -0.56 0.00 -2.81 0.00 0.00 60.65 57.14 1q48 h LYS 6 Cb 1.08 0.00 0.17 0.00 -1.00 0.00 0.00 32.23 32.48 1q48 h LYS 6 CO 0.12 0.39 0.30 0.28 -2.81 0.00 0.00 179.45 177.72 1q48 n VAL 7 N -4.69 3.66 0.27 2.00 0.31 -1.26 -4.89 118.33 113.73 1q48 n VAL 7 Ca -0.06 -0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 63.73 1q48 n VAL 7 Cb 0.22 -1.28 -0.07 0.00 -0.91 0.00 0.00 33.84 31.80 1q48 n VAL 7 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1q48 h ILE 8 N 0.03 0.26 -3.31 2.52 2.04 -2.02 -3.47 117.51 113.57 1q48 h ILE 8 Ca -0.49 -0.44 -0.11 0.00 1.00 0.00 0.00 64.86 64.82 1q48 h ILE 8 Cb 1.33 0.38 -0.18 0.00 -0.74 0.00 0.00 36.82 37.61 1q48 h ILE 8 CO 0.50 0.04 -0.31 -1.81 0.00 0.00 0.00 178.15 176.57 1q48 s ASP 9 N -4.74 -0.09 -1.19 1.72 1.01 -1.26 -5.06 116.67 107.06 1q48 s ASP 9 Ca -0.14 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 52.92 1q48 s ASP 9 Cb 0.02 0.32 0.21 0.00 1.01 0.00 0.00 42.92 44.48 1q48 s ASP 9 CO 0.45 -0.54 2.11 0.00 0.21 0.00 0.00 175.17 177.40 1q48 n HIS 10 N 0.84 2.67 -3.57 4.23 1.44 -1.26 -4.90 115.22 114.68 1q48 n HIS 10 Ca -0.20 -2.70 -0.14 0.00 -2.01 0.00 0.00 57.72 52.67 1q48 n HIS 10 Cb 0.58 -1.55 -0.06 0.00 0.12 0.00 0.00 29.99 29.08 1q48 n HIS 10 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1q48 s TYR 11 N -2.49 -0.55 0.00 -1.40 5.04 -1.26 -5.16 117.35 111.53 1q48 s TYR 11 Ca 0.47 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 1q48 s TYR 11 Cb 0.18 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.89 1q48 s TYR 11 CO -0.10 -0.44 0.00 0.39 -1.34 0.00 0.00 175.55 174.06 1q48 n GLU 12 N 1.21 0.00 -3.85 4.97 1.02 -1.26 -5.15 120.64 117.57 1q48 n GLU 12 Ca -0.15 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.90 1q48 n GLU 12 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.93 1q48 n GLU 12 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q48 s ASN 13 N 1.26 0.01 0.37 1.62 4.22 -1.26 -5.04 114.94 116.11 1q48 s ASN 13 Ca 0.00 -0.66 0.15 0.00 -2.14 0.00 0.00 52.86 50.21 1q48 s ASN 13 Cb 0.00 0.41 0.73 0.00 1.28 0.00 0.00 41.25 43.67 1q48 s ASN 13 CO 0.00 -0.83 1.79 1.55 -2.04 0.00 0.00 177.10 177.57 1q48 h PRO 14 N 2.57 0.00 -6.33 3.55 0.13 -2.08 -3.43 132.00 126.42 1q48 h PRO 14 Ca -0.33 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.25 1q48 h PRO 14 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1q48 h PRO 14 CO 0.50 0.39 0.78 1.03 -0.23 0.00 0.00 178.00 180.47 1q48 s ARG 15 N -3.95 4.31 0.00 0.86 1.81 -1.26 -4.84 118.95 115.89 1q48 s ARG 15 Ca -0.02 1.81 0.00 0.00 -1.72 0.00 0.00 55.73 55.80 1q48 s ARG 15 Cb 0.13 -3.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.04 1q48 s ARG 15 CO 0.71 -0.53 0.41 -1.71 -0.68 0.00 0.00 175.30 173.50 1q48 n ASN 16 N 5.41 0.26 -0.64 0.23 2.85 -1.26 -4.79 115.26 117.31 1q48 n ASN 16 Ca 0.12 -1.11 0.05 0.00 -0.11 0.00 0.00 54.58 53.54 1q48 n ASN 16 Cb 0.45 0.00 0.20 0.00 1.24 0.00 0.00 39.78 41.67 1q48 n ASN 16 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1q48 n VAL 17 N -0.05 2.24 -4.22 3.44 0.24 -1.26 -5.02 118.33 113.69 1q48 n VAL 17 Ca 0.00 -3.09 -0.14 0.00 -2.04 0.00 0.00 64.34 59.08 1q48 n VAL 17 Cb 0.37 -0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 32.39 1q48 n VAL 17 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1q48 s GLY 18 N -3.10 0.97 0.00 7.63 0.00 -1.26 -5.14 107.32 106.42 1q48 s GLY 18 Ca 0.39 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1q48 s GLY 18 CO -0.05 -1.50 0.00 -1.14 0.00 0.00 0.00 173.10 170.41 1q48 n SER 19 N 0.00 0.00 0.00 1.64 3.41 -1.26 -4.93 113.62 112.48 1q48 n SER 19 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1q48 n SER 19 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1q48 n SER 19 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1q48 n LEU 20 N 0.00 0.00 0.17 1.04 7.94 -1.26 -4.73 117.00 120.16 1q48 n LEU 20 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 1q48 n LEU 20 Cb 0.00 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.15 1q48 n LEU 20 CO 0.00 0.00 0.78 0.44 -1.11 0.00 0.00 177.39 177.50 1q48 h ASP 21 N 0.00 0.00 0.00 1.96 5.19 -1.99 -3.43 116.42 118.16 1q48 h ASP 21 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1q48 h ASP 21 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1q48 h ASP 21 CO 0.00 0.00 0.00 1.17 -3.12 0.00 0.00 179.24 177.29 1q48 n LYS 22 N -1.93 0.00 -1.43 3.56 4.81 -1.26 -4.70 118.16 117.21 1q48 n LYS 22 Ca -0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1q48 n LYS 22 Cb 0.52 -1.06 0.10 0.00 0.02 0.00 0.00 35.03 34.61 1q48 n LYS 22 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1q48 n LYS 23 N -1.59 2.77 -4.03 1.64 2.85 -1.26 -5.03 118.16 113.50 1q48 n LYS 23 Ca 0.00 -3.73 -0.23 0.00 -1.05 0.00 0.00 58.31 53.30 1q48 n LYS 23 Cb 0.00 -2.05 -0.03 0.00 -0.65 0.00 0.00 35.03 32.29 1q48 n LYS 23 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1q48 s ASP 24 N -3.19 5.92 -0.03 -5.58 -1.08 -1.26 -4.99 116.67 106.46 1q48 s ASP 24 Ca 0.48 -0.06 0.09 0.00 -0.52 0.00 0.00 52.55 52.55 1q48 s ASP 24 Cb 0.41 -1.65 0.33 0.00 -1.46 0.00 0.00 42.92 40.55 1q48 s ASP 24 CO 0.00 -0.02 1.20 -1.20 0.52 0.00 0.00 175.17 175.67 1q48 n SER 25 N -1.05 2.27 -1.00 -0.34 7.64 -1.26 -3.67 113.62 116.21 1q48 n SER 25 Ca -0.08 -2.14 0.08 0.00 1.01 0.00 0.00 58.87 57.74 1q48 n SER 25 Cb 0.57 -0.34 0.26 0.00 -1.01 0.00 0.00 64.21 63.68 1q48 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1q48 n ASN 26 N 0.44 3.92 -3.59 6.43 3.02 -1.26 -4.90 115.26 119.32 1q48 n ASN 26 Ca 0.12 -2.70 -0.13 0.00 -0.03 0.00 0.00 54.58 51.84 1q48 n ASN 26 Cb 0.42 -0.48 -0.12 0.00 -0.61 0.00 0.00 39.78 38.98 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q48 s VAL 27 N -2.27 -0.47 0.08 2.41 1.01 -1.24 -0.80 120.40 119.12 1q48 s VAL 27 Ca 0.40 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1q48 s VAL 27 Cb 0.29 -0.57 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 1q48 s VAL 27 CO 0.13 0.02 0.57 -0.83 0.00 0.00 0.00 175.10 175.00 1q48 s GLY 28 N 2.45 2.67 -0.18 4.51 0.00 -0.69 -4.85 107.32 111.24 1q48 s GLY 28 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.80 1q48 s GLY 28 CO -0.11 0.46 -0.20 -1.59 0.00 0.00 0.00 173.10 171.66 1q48 s THR 29 N -1.13 2.08 -0.02 0.90 2.01 -1.26 -1.91 115.64 116.32 1q48 s THR 29 Ca 0.29 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1q48 s THR 29 Cb -0.19 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.47 1q48 s THR 29 CO 0.19 0.54 -0.00 -0.83 -0.69 0.00 0.00 174.62 173.83 1q48 s GLY 30 N 1.24 0.19 -0.03 4.40 0.00 -0.95 -4.45 107.32 107.72 1q48 s GLY 30 Ca 0.04 0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.87 1q48 s GLY 30 CO -0.12 0.40 -0.03 -0.29 0.00 0.00 0.00 173.10 173.06 1q48 s MET 31 N 0.70 0.55 0.17 2.90 1.75 -1.26 -1.51 119.30 122.59 1q48 s MET 31 Ca -0.07 -0.05 0.02 0.00 -1.25 0.00 0.00 55.69 54.35 1q48 s MET 31 Cb -0.10 -0.62 -0.01 0.00 2.84 0.00 0.00 34.83 36.94 1q48 s MET 31 CO -0.01 -0.07 0.09 1.33 -0.65 0.00 0.00 175.02 175.70 1q48 n VAL 32 N 3.90 0.00 -3.83 10.11 0.24 -0.96 -5.01 118.33 122.78 1q48 n VAL 32 Ca -0.24 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 1q48 n VAL 32 Cb 0.52 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1q48 n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q48 n GLY 33 N 0.51 0.56 2.55 7.63 0.00 -1.26 -1.03 105.19 114.16 1q48 n GLY 33 Ca -0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1q48 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 s ALA 34 N -1.00 0.56 0.12 4.61 0.00 -0.83 -4.95 121.76 120.27 1q48 s ALA 34 Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 51.96 50.63 1q48 s ALA 34 Cb 0.00 -1.39 -0.11 0.00 0.00 0.00 0.00 23.12 21.62 1q48 s ALA 34 CO 0.00 -1.63 1.52 -1.35 0.00 0.00 0.00 175.76 174.30 1q48 h PRO 35 N 8.40 -0.44 -0.12 0.00 0.11 -1.94 3.17 132.00 141.20 1q48 h PRO 35 Ca -0.19 0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.98 1q48 h PRO 35 Cb 1.02 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1q48 h PRO 35 CO 0.43 -0.29 0.99 0.00 -0.21 0.00 0.00 178.00 178.92 1q48 h ALA 36 N -0.23 2.08 0.00 -0.75 0.00 -2.00 0.26 119.26 118.62 1q48 h ALA 36 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1q48 h ALA 36 Cb 0.60 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1q48 h ALA 36 CO -0.50 -1.05 -1.08 0.00 0.00 0.00 0.00 179.25 176.62 1q48 n GLY 38 N 3.05 0.43 3.74 0.00 0.00 1.02 -5.02 105.19 108.42 1q48 n GLY 38 Ca -0.02 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 1q48 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q48 s ASP 39 N -2.95 6.80 -0.29 1.61 1.01 -1.17 -4.80 116.67 116.87 1q48 s ASP 39 Ca 0.00 0.95 -0.07 0.00 0.71 0.00 0.00 52.55 54.14 1q48 s ASP 39 Cb 0.00 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1q48 s ASP 39 CO 0.00 0.05 0.09 -0.69 0.21 0.00 0.00 175.17 174.84 1q48 s VAL 40 N 0.24 4.12 -0.38 -1.27 1.01 0.22 -1.96 120.40 122.37 1q48 s VAL 40 Ca 0.28 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1q48 s VAL 40 Cb -0.16 -3.10 0.10 0.00 0.00 0.00 0.00 36.38 33.21 1q48 s VAL 40 CO 0.13 0.10 0.15 -0.32 0.00 0.00 0.00 175.10 175.16 1q48 s MET 41 N 1.53 2.05 0.43 2.72 0.00 -0.20 -1.62 119.30 124.21 1q48 s MET 41 Ca 0.03 -1.70 -0.11 0.00 0.00 0.00 0.00 55.69 53.90 1q48 s MET 41 Cb -0.17 -3.47 -0.06 0.00 0.00 0.00 0.00 34.83 31.12 1q48 s MET 41 CO 0.03 -0.97 0.82 -1.14 0.00 0.00 0.00 175.02 173.76 1q48 s GLN 42 N 1.15 3.80 -0.29 4.11 0.74 -0.91 -2.27 119.66 125.99 1q48 s GLN 42 Ca 0.06 0.56 -0.02 0.00 0.05 0.00 0.00 55.36 56.00 1q48 s GLN 42 Cb -0.22 -2.33 0.17 0.00 1.10 0.00 0.00 33.01 31.73 1q48 s GLN 42 CO -0.04 -0.10 0.55 -1.17 -0.55 0.00 0.00 175.29 173.98 1q48 s LEU 43 N -3.96 -1.19 -0.18 3.68 2.96 -0.57 -2.83 118.68 116.60 1q48 s LEU 43 Ca 0.53 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 55.21 1q48 s LEU 43 Cb -0.10 1.93 -0.00 0.00 0.50 0.00 0.00 46.19 48.51 1q48 s LEU 43 CO 0.32 -0.27 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.38 1q48 s GLN 44 N 2.79 3.25 0.13 1.98 0.74 -0.24 -2.23 119.66 126.07 1q48 s GLN 44 Ca 0.17 -0.71 0.04 0.00 0.05 0.00 0.00 55.36 54.90 1q48 s GLN 44 Cb -0.15 -2.73 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 1q48 s GLN 44 CO -0.20 -0.06 0.16 0.96 -0.55 0.00 0.00 175.29 175.61 1q48 s ILE 45 N 1.03 4.75 -0.05 -2.34 -4.36 -0.80 -0.36 121.20 119.07 1q48 s ILE 45 Ca -0.01 -0.86 0.04 0.00 -0.26 0.00 0.00 60.65 59.56 1q48 s ILE 45 Cb -0.15 -3.39 -0.00 0.00 1.25 0.00 0.00 42.46 40.18 1q48 s ILE 45 CO -0.02 -0.02 -0.17 -0.54 0.24 0.00 0.00 174.94 174.42 1q48 s LYS 46 N -2.89 1.84 0.06 0.37 1.02 -0.64 -1.70 119.74 117.80 1q48 s LYS 46 Ca 0.32 -0.60 0.06 0.00 0.02 0.00 0.00 55.97 55.77 1q48 s LYS 46 Cb -0.11 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.60 1q48 s LYS 46 CO 0.24 0.21 -0.16 0.08 -0.92 0.00 0.00 175.35 174.81 1q48 s VAL 47 N 0.13 1.29 0.00 3.17 1.01 0.02 -1.19 120.40 124.82 1q48 s VAL 47 Ca -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1q48 s VAL 47 Cb -0.12 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1q48 s VAL 47 CO 0.03 -0.07 0.00 0.47 0.00 0.00 0.00 175.10 175.52 1q48 n ASP 48 N 1.50 0.00 -0.54 3.32 9.92 -1.02 -4.54 116.55 125.19 1q48 n ASP 48 Ca -0.19 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1q48 n ASP 48 Cb 0.54 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1q48 n ASP 48 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1q48 n ASP 49 N 0.00 -0.04 0.00 -2.24 5.68 -1.26 -4.78 116.55 113.91 1q48 n ASP 49 Ca 0.00 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 1q48 n ASP 49 Cb 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1q48 n ASN 50 N 0.01 0.32 0.00 -1.12 3.02 -1.26 -4.99 115.26 111.24 1q48 n ASN 50 Ca -0.01 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1q48 n ASN 50 Cb 0.55 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q48 n GLY 51 N 0.04 1.00 3.50 7.41 0.00 -1.26 -5.03 105.19 110.86 1q48 n GLY 51 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1q48 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q48 s ILE 52 N -2.00 4.46 -0.27 -0.61 -1.09 -1.26 -2.21 121.20 118.22 1q48 s ILE 52 Ca 0.00 -0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 1q48 s ILE 52 Cb 0.00 -3.07 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 1q48 s ILE 52 CO 0.00 0.36 1.77 -0.63 -1.23 0.00 0.00 174.94 175.21 1q48 s ILE 53 N 1.33 3.51 -1.27 2.92 1.01 -0.68 -2.42 121.20 125.59 1q48 s ILE 53 Ca 0.05 0.54 0.26 0.00 0.00 0.00 0.00 60.65 61.50 1q48 s ILE 53 Cb -0.15 -3.61 0.16 0.00 0.01 0.00 0.00 42.46 38.87 1q48 s ILE 53 CO 0.04 -0.34 1.57 1.21 0.00 0.00 0.00 174.94 177.42 1q48 n GLU 54 N 8.16 0.30 -3.63 2.79 0.00 -0.34 -0.56 120.64 127.37 1q48 n GLU 54 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 57.16 57.20 1q48 n GLU 54 Cb 0.46 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.39 1q48 n GLU 54 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1q48 s ASP 55 N -2.81 -0.16 -0.13 4.31 2.15 -1.20 -4.84 116.67 113.99 1q48 s ASP 55 Ca 0.17 -0.14 -0.12 0.00 0.43 0.00 0.00 52.55 52.89 1q48 s ASP 55 Cb 0.18 0.27 0.03 0.00 -0.30 0.00 0.00 42.92 43.11 1q48 s ASP 55 CO 0.61 -0.48 0.34 0.00 -0.17 0.00 0.00 175.17 175.47 1q48 s ALA 56 N -2.74 -0.85 0.20 3.66 0.00 -1.26 -1.62 121.76 119.14 1q48 s ALA 56 Ca 0.11 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1q48 s ALA 56 Cb 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1q48 s ALA 56 CO -0.03 -0.16 0.01 0.15 0.00 0.00 0.00 175.76 175.72 1q48 s LYS 57 N 0.21 1.21 0.06 0.00 -0.14 0.52 -5.00 119.74 116.59 1q48 s LYS 57 Ca -0.00 -1.60 -0.11 0.00 -1.36 0.00 0.00 55.97 52.90 1q48 s LYS 57 Cb -0.03 -0.36 0.04 0.00 -1.68 0.00 0.00 37.83 35.80 1q48 s LYS 57 CO 0.00 -0.14 0.50 1.97 -0.76 0.00 0.00 175.35 176.92 1q48 n PHE 58 N -0.32 -0.76 -3.17 3.18 -1.74 -1.26 -1.08 117.46 112.30 1q48 n PHE 58 Ca -0.05 -0.52 0.05 0.00 -0.56 0.00 0.00 57.45 56.37 1q48 n PHE 58 Cb 0.64 0.25 -0.02 0.00 1.52 0.00 0.00 39.48 41.87 1q48 n PHE 58 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1q48 s LYS 59 N -2.02 0.23 0.34 3.97 1.02 -1.13 -4.94 119.74 117.21 1q48 s LYS 59 Ca 0.11 0.42 -0.17 0.00 0.02 0.00 0.00 55.97 56.36 1q48 s LYS 59 Cb -0.01 0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 37.44 1q48 s LYS 59 CO 0.02 -0.23 0.79 0.95 -0.92 0.00 0.00 175.35 175.96 1q48 s THR 60 N 2.88 4.59 -0.30 2.17 -4.23 -1.26 -2.14 115.64 117.35 1q48 s THR 60 Ca 0.01 1.12 -0.06 0.00 -1.18 0.00 0.00 61.69 61.57 1q48 s THR 60 Cb -0.10 -3.64 0.15 0.00 1.34 0.00 0.00 72.50 70.26 1q48 s THR 60 CO -0.13 -0.18 0.62 -0.47 -0.54 0.00 0.00 174.62 173.93 1q48 s TYR 61 N -1.99 -1.43 0.00 3.99 6.14 -0.64 -4.99 117.35 118.43 1q48 s TYR 61 Ca 0.55 2.07 0.00 0.00 0.64 0.00 0.00 57.07 60.33 1q48 s TYR 61 Cb -0.11 0.70 0.00 0.00 0.42 0.00 0.00 41.96 42.97 1q48 s TYR 61 CO 0.17 -0.75 0.00 0.41 0.64 0.00 0.00 175.55 176.02 1q48 n GLY 62 N 5.44 -0.14 3.69 8.97 0.00 -1.26 0.70 105.19 122.60 1q48 n GLY 62 Ca -0.08 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1q48 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n GLY 64 N 2.08 4.89 0.00 0.00 0.00 -1.26 -3.98 105.19 106.92 1q48 n GLY 64 Ca -0.18 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1q48 n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q48 n SER 65 N 1.21 0.00 -0.18 1.61 7.64 -1.26 -4.80 113.62 117.84 1q48 n SER 65 Ca 0.56 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.57 1q48 n SER 65 Cb 0.38 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.29 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q48 n ALA 66 N -0.76 2.63 0.00 -0.43 0.00 -1.26 -3.91 120.51 116.78 1q48 n ALA 66 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1q48 n ALA 66 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1q48 n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1q48 n ILE 67 N -0.52 0.00 -0.05 0.00 2.08 -1.26 -1.25 119.36 118.36 1q48 n ILE 67 Ca 0.20 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.32 1q48 n ILE 67 Cb 0.19 -0.78 -0.13 0.00 -0.75 0.00 0.00 39.64 38.17 1q48 n ILE 67 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1q48 n ALA 68 N -0.75 1.15 0.05 -1.39 0.00 -1.25 -3.74 120.51 114.58 1q48 n ALA 68 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 1q48 n ALA 68 Cb 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 1q48 n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1q48 h SER 69 N 0.04 -0.15 -0.81 0.00 0.87 -1.50 -2.31 113.55 109.69 1q48 h SER 69 Ca -0.47 -0.38 0.18 0.00 -1.23 0.00 0.00 61.79 59.89 1q48 h SER 69 Cb 2.00 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.95 1q48 h SER 69 CO 0.02 0.35 0.54 0.77 -0.53 0.00 0.00 176.83 177.98 1q48 h SER 70 N -0.71 0.32 0.08 6.23 4.64 -1.77 0.19 113.55 122.53 1q48 h SER 70 Ca -0.02 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 1q48 h SER 70 Cb 0.52 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1q48 h SER 70 CO 0.03 0.15 -0.57 0.28 -0.87 0.00 0.00 176.83 175.84 1q48 h SER 71 N 0.33 0.57 0.25 4.97 0.02 -1.62 -2.44 113.55 115.63 1q48 h SER 71 Ca 0.40 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1q48 h SER 71 Cb 1.08 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1q48 h SER 71 CO -0.12 1.02 -0.12 0.25 -1.14 0.00 0.00 176.83 176.72 1q48 h LEU 72 N 0.39 -0.28 -1.05 5.07 5.85 -0.08 -2.27 115.31 122.94 1q48 h LEU 72 Ca 0.00 0.01 0.30 0.00 0.84 0.00 0.00 57.88 59.03 1q48 h LEU 72 Cb 1.12 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 42.08 1q48 h LEU 72 CO 0.10 -0.10 0.60 -0.29 -0.34 0.00 0.00 178.44 178.41 1q48 h ILE 73 N -0.52 0.38 -0.83 4.05 2.10 -1.41 0.59 117.51 121.86 1q48 h ILE 73 Ca -0.03 -0.14 -0.04 0.00 1.08 0.00 0.00 64.86 65.73 1q48 h ILE 73 Cb 0.25 -0.05 -0.04 0.00 -1.09 0.00 0.00 36.82 35.89 1q48 h ILE 73 CO 0.06 0.07 0.36 0.71 -1.08 0.00 0.00 178.15 178.27 1q48 h THR 74 N 0.40 1.26 -0.04 2.19 1.35 -1.42 -1.42 112.91 115.23 1q48 h THR 74 Ca 0.70 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1q48 h THR 74 Cb 1.56 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1q48 h THR 74 CO -0.53 0.33 0.00 -0.62 -0.25 0.00 0.00 175.52 174.45 1q48 n GLU 75 N -4.29 1.45 -0.01 4.72 4.71 0.18 -3.58 120.64 123.84 1q48 n GLU 75 Ca 0.08 -0.67 0.08 0.00 -0.01 0.00 0.00 57.16 56.64 1q48 n GLU 75 Cb 0.17 -1.45 -0.11 0.00 -1.01 0.00 0.00 31.44 29.04 1q48 n GLU 75 CO 0.00 0.00 0.00 1.87 0.09 0.00 0.00 177.13 179.09 1q48 n TRP 76 N -0.17 0.00 -2.52 -0.32 -0.00 0.10 -4.56 117.44 109.97 1q48 n TRP 76 Ca 0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.38 1q48 n TRP 76 Cb 0.26 -0.27 -0.00 0.00 -0.00 0.00 0.00 31.31 31.30 1q48 n TRP 76 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1q48 n VAL 77 N -1.87 3.23 -3.89 5.87 0.24 -0.64 -4.82 118.33 116.45 1q48 n VAL 77 Ca -0.01 -5.13 -0.30 0.00 -2.04 0.00 0.00 64.34 56.86 1q48 n VAL 77 Cb 0.37 -1.33 -0.15 0.00 -1.47 0.00 0.00 33.84 31.25 1q48 n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1q48 s LYS 78 N -3.71 1.29 0.00 7.34 2.20 -1.26 -4.69 119.74 120.90 1q48 s LYS 78 Ca 0.48 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1q48 s LYS 78 Cb 0.35 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 1q48 s LYS 78 CO -0.21 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.38 1q48 n GLY 79 N 4.62 3.28 3.28 5.54 0.00 0.28 -5.02 105.19 117.17 1q48 n GLY 79 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1q48 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q48 n LYS 80 N -1.20 -3.90 -4.01 1.61 4.76 -1.26 -4.27 118.16 109.89 1q48 n LYS 80 Ca 0.00 -1.58 -0.22 0.00 -2.87 0.00 0.00 58.31 53.64 1q48 n LYS 80 Cb 0.00 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 31.44 1q48 n LYS 80 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1q48 s SER 81 N -3.80 6.10 0.64 4.39 0.15 -1.26 -1.68 113.70 118.24 1q48 s SER 81 Ca 0.68 -0.00 0.34 0.00 0.70 0.00 0.00 55.95 57.66 1q48 s SER 81 Cb -0.09 -1.74 1.86 0.00 -1.71 0.00 0.00 66.02 64.34 1q48 s SER 81 CO 0.54 -0.04 2.11 -0.07 1.20 0.00 0.00 173.24 176.98 1q48 h LEU 82 N 1.41 0.00 -0.18 3.45 3.38 -1.84 -0.71 115.31 120.83 1q48 h LEU 82 Ca -0.51 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1q48 h LEU 82 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1q48 h LEU 82 CO 0.62 0.00 -0.07 -0.08 0.09 0.00 0.00 178.44 179.00 1q48 h GLU 83 N 0.00 0.36 -0.42 1.13 4.81 -1.93 -1.91 114.58 116.62 1q48 h GLU 83 Ca 0.04 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1q48 h GLU 83 Cb 0.43 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1q48 h GLU 83 CO -0.00 0.65 0.26 1.49 -0.73 0.00 0.00 179.01 180.68 1q48 h GLU 84 N 0.05 0.57 -0.73 1.92 4.57 -1.52 -1.79 114.58 117.65 1q48 h GLU 84 Ca 0.04 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1q48 h GLU 84 Cb 0.54 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 1q48 h GLU 84 CO 0.02 0.42 0.48 0.00 -1.18 0.00 0.00 179.01 178.76 1q48 h ALA 85 N 1.12 1.67 -0.16 2.92 0.00 -1.42 -2.02 119.26 121.37 1q48 h ALA 85 Ca 0.15 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 1q48 h ALA 85 Cb -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.48 1q48 h ALA 85 CO -0.03 0.22 -0.13 0.41 0.00 0.00 0.00 179.25 179.71 1q48 n GLY 86 N -1.44 3.35 0.00 0.00 0.00 -0.67 -3.48 105.19 102.95 1q48 n GLY 86 Ca 0.10 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1q48 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n ALA 87 N 1.94 0.00 -0.24 4.61 0.00 -0.79 -4.94 120.51 121.09 1q48 n ALA 87 Ca 0.41 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.00 1q48 n ALA 87 Cb 0.78 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.51 1q48 n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1q48 n ILE 88 N -0.64 -0.30 -1.61 0.00 -5.35 -1.01 -4.85 119.36 105.60 1q48 n ILE 88 Ca 0.00 1.52 0.00 0.00 -0.27 0.00 0.00 62.75 64.00 1q48 n ILE 88 Cb 0.00 -2.30 0.00 0.00 -1.74 0.00 0.00 39.64 35.60 1q48 n ILE 88 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1q48 n LYS 89 N -4.84 -4.12 0.15 6.28 5.02 -1.26 -3.97 118.16 115.42 1q48 n LYS 89 Ca 0.20 3.13 0.01 0.00 -2.02 0.00 0.00 58.31 59.63 1q48 n LYS 89 Cb 0.67 -3.77 0.22 0.00 -0.02 0.00 0.00 35.03 32.13 1q48 n LYS 89 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1q48 h ASN 90 N 0.92 0.00 -1.00 4.39 -1.07 -1.89 -3.03 115.58 113.90 1q48 h ASN 90 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 56.30 56.49 1q48 h ASN 90 Cb 0.45 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.62 1q48 h ASN 90 CO 0.00 0.54 0.63 0.77 0.07 0.00 0.00 177.43 179.45 1q48 h SER 91 N 0.00 0.92 0.17 6.14 4.64 -1.94 0.15 113.55 123.63 1q48 h SER 91 Ca -0.01 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1q48 h SER 91 Cb 1.04 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1q48 h SER 91 CO 0.07 0.48 -0.08 -0.61 -0.87 0.00 0.00 176.83 175.82 1q48 h GLN 92 N 0.98 -0.22 -0.97 4.77 5.75 -1.66 -2.03 115.11 121.73 1q48 h GLN 92 Ca 0.50 0.01 0.18 0.00 -0.15 0.00 0.00 58.65 59.19 1q48 h GLN 92 Cb 0.51 0.05 -0.10 0.00 1.07 0.00 0.00 27.48 29.00 1q48 h GLN 92 CO -0.26 0.21 0.57 0.82 -2.65 0.00 0.00 178.83 177.51 1q48 h ILE 93 N -0.80 0.71 0.70 2.39 2.04 -1.41 0.14 117.51 121.28 1q48 h ILE 93 Ca -0.02 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1q48 h ILE 93 Cb 0.53 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1q48 h ILE 93 CO 0.04 0.13 -0.34 0.00 0.00 0.00 0.00 178.15 177.99 1q48 h ALA 94 N 1.63 -0.94 -0.31 1.87 0.00 -0.70 -1.91 119.26 118.90 1q48 h ALA 94 Ca 0.55 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1q48 h ALA 94 Cb 0.83 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1q48 h ALA 94 CO -0.38 -0.92 -0.24 1.49 0.00 0.00 0.00 179.25 179.20 1q48 h GLU 95 N -1.16 -0.21 -0.62 0.00 4.81 -0.67 1.12 114.58 117.85 1q48 h GLU 95 Ca -0.10 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1q48 h GLU 95 Cb 0.75 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.06 1q48 h GLU 95 CO 0.16 -0.14 -0.18 0.93 -0.73 0.00 0.00 179.01 179.05 1q48 h GLU 96 N -0.22 -0.02 -0.35 1.92 4.39 -0.73 0.40 114.58 119.96 1q48 h GLU 96 Ca 0.16 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.70 1q48 h GLU 96 Cb 0.47 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1q48 h GLU 96 CO -0.43 -0.02 -0.42 -0.07 -1.16 0.00 0.00 179.01 176.92 1q48 h LEU 97 N -0.03 0.97 -0.24 1.33 4.07 -0.28 -3.47 115.31 117.66 1q48 h LEU 97 Ca 0.29 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1q48 h LEU 97 Cb 0.47 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1q48 h LEU 97 CO -0.65 1.26 0.00 1.21 -1.08 0.00 0.00 178.44 179.18 1q48 n GLU 98 N -4.07 0.00 -2.97 1.13 4.07 0.37 -5.04 120.64 114.13 1q48 n GLU 98 Ca -0.03 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.72 1q48 n GLU 98 Cb 0.56 -2.96 -0.06 0.00 -0.06 0.00 0.00 31.44 28.91 1q48 n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1q48 s LEU 99 N -0.24 4.24 0.66 4.31 0.05 -1.23 -5.03 118.68 121.44 1q48 s LEU 99 Ca 0.00 1.56 -0.17 0.00 0.05 0.00 0.00 54.13 55.58 1q48 s LEU 99 Cb 0.00 -3.93 0.00 0.00 -2.05 0.00 0.00 46.19 40.21 1q48 s LEU 99 CO 0.00 -0.09 1.19 -2.16 -0.55 0.00 0.00 176.35 174.74 1q48 s PRO 100 N -2.33 2.59 0.00 1.48 0.04 -1.26 -4.87 135.00 130.65 1q48 s PRO 100 Ca 0.50 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1q48 s PRO 100 Cb -0.15 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1q48 s PRO 100 CO 0.20 -1.48 0.26 -0.35 0.04 0.00 0.00 177.00 175.66 1q48 n PRO 101 N -2.21 0.51 0.11 0.56 -0.04 -1.26 -3.21 135.00 129.47 1q48 n PRO 101 Ca 0.13 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 1q48 n PRO 101 Cb 0.50 -1.25 0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1q48 n PRO 101 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1q48 h VAL 102 N 0.01 0.11 -0.94 0.52 -1.51 -2.04 -3.38 116.25 109.02 1q48 h VAL 102 Ca 0.00 -1.20 -0.37 0.00 -1.23 0.00 0.00 66.70 63.90 1q48 h VAL 102 Cb 0.26 1.70 -0.40 0.00 -2.13 0.00 0.00 31.29 30.71 1q48 h VAL 102 CO 0.00 0.06 -1.12 1.17 -1.23 0.00 0.00 177.57 176.45 1q48 n LYS 103 N -2.80 1.58 0.00 5.19 4.81 -1.20 -4.86 118.16 120.88 1q48 n LYS 103 Ca -0.01 -3.47 0.00 0.00 -0.87 0.00 0.00 58.31 53.97 1q48 n LYS 103 Cb 0.60 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.19 1q48 n LYS 103 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1q48 n VAL 104 N -0.23 1.85 0.15 3.15 0.31 -1.26 -1.79 118.33 120.51 1q48 n VAL 104 Ca 0.13 0.48 0.17 0.00 -0.01 0.00 0.00 64.34 65.11 1q48 n VAL 104 Cb 0.80 -1.48 0.77 0.00 -0.91 0.00 0.00 33.84 33.03 1q48 n VAL 104 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1q48 h HIS 105 N 0.00 0.00 0.30 3.52 -0.00 -1.95 -2.05 115.15 114.97 1q48 h HIS 105 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1q48 h HIS 105 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1q48 h HIS 105 CO 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 177.93 177.78 1q48 h SER 107 N -0.70 -0.84 -0.98 0.00 0.87 -1.71 0.22 113.55 110.41 1q48 h SER 107 Ca -0.04 0.09 0.31 0.00 -1.23 0.00 0.00 61.79 60.93 1q48 h SER 107 Cb 0.31 0.32 -0.18 0.00 -0.44 0.00 0.00 62.40 62.42 1q48 h SER 107 CO 0.07 -0.26 0.22 0.40 -0.53 0.00 0.00 176.83 176.73 1q48 h ILE 108 N -0.33 0.06 -0.64 2.23 2.04 -1.52 1.30 117.51 120.65 1q48 h ILE 108 Ca 0.01 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1q48 h ILE 108 Cb 0.36 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1q48 h ILE 108 CO -0.19 0.01 0.36 -0.07 0.00 0.00 0.00 178.15 178.26 1q48 h LEU 109 N 0.04 0.56 -0.29 1.44 4.07 -0.28 -0.34 115.31 120.51 1q48 h LEU 109 Ca 0.67 0.02 0.03 0.00 0.08 0.00 0.00 57.88 58.68 1q48 h LEU 109 Cb 1.54 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 43.15 1q48 h LEU 109 CO -0.84 0.37 0.10 0.00 -1.08 0.00 0.00 178.44 177.00 1q48 h ALA 110 N 1.31 0.32 0.95 1.53 0.00 0.28 -0.36 119.26 123.30 1q48 h ALA 110 Ca 0.27 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1q48 h ALA 110 Cb 0.12 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1q48 h ALA 110 CO -0.15 -0.30 -0.48 1.49 0.00 0.00 0.00 179.25 179.81 1q48 h GLU 111 N 0.23 -1.25 -0.60 0.00 4.22 -0.65 -1.32 114.58 115.21 1q48 h GLU 111 Ca 0.13 0.09 0.17 0.00 0.08 0.00 0.00 59.36 59.82 1q48 h GLU 111 Cb 0.09 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1q48 h GLU 111 CO -0.13 -0.83 0.64 0.22 -2.18 0.00 0.00 179.01 176.73 1q48 h ASP 112 N -1.30 0.00 -0.15 1.04 3.58 -0.92 0.46 116.42 119.13 1q48 h ASP 112 Ca -0.13 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.13 1q48 h ASP 112 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1q48 h ASP 112 CO 0.20 0.00 -0.63 0.00 -2.88 0.00 0.00 179.24 175.93 1q48 h ALA 113 N 1.28 0.47 -0.21 -0.78 0.00 0.07 0.34 119.26 120.44 1q48 h ALA 113 Ca 0.28 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1q48 h ALA 113 Cb 1.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1q48 h ALA 113 CO -0.00 0.69 -0.47 0.97 0.00 0.00 0.00 179.25 180.44 1q48 h ILE 114 N 0.56 1.31 0.01 0.00 6.09 0.47 -2.60 117.51 123.35 1q48 h ILE 114 Ca -0.01 -1.67 -0.19 0.00 -1.37 0.00 0.00 64.86 61.62 1q48 h ILE 114 Cb 1.23 1.66 -0.02 0.00 0.47 0.00 0.00 36.82 40.16 1q48 h ILE 114 CO 0.13 0.52 -0.91 0.11 -3.07 0.00 0.00 178.15 174.93 1q48 h LYS 115 N 0.43 0.03 -0.39 2.19 1.57 -1.35 -2.62 116.57 116.43 1q48 h LYS 115 Ca 0.03 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1q48 h LYS 115 Cb 0.98 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1q48 h LYS 115 CO 0.09 0.92 0.02 0.00 -0.57 0.00 0.00 179.45 179.91 1q48 h ALA 116 N 1.07 0.53 -0.37 3.86 0.00 -0.78 -1.89 119.26 121.67 1q48 h ALA 116 Ca -0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1q48 h ALA 116 Cb 1.60 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1q48 h ALA 116 CO 0.12 0.28 -0.37 0.00 0.00 0.00 0.00 179.25 179.28 1q48 h ALA 117 N 0.90 0.64 -0.48 0.00 0.00 -1.51 -1.70 119.26 117.11 1q48 h ALA 117 Ca 0.11 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1q48 h ALA 117 Cb 0.44 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1q48 h ALA 117 CO 0.02 0.67 0.27 0.82 0.00 0.00 0.00 179.25 181.03 1q48 h ILE 118 N 0.72 1.01 -0.23 0.00 2.04 -1.30 0.73 117.51 120.47 1q48 h ILE 118 Ca 0.06 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1q48 h ILE 118 Cb 0.94 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1q48 h ILE 118 CO 0.09 0.10 -0.04 0.00 0.00 0.00 0.00 178.15 178.29 1q48 h ALA 119 N 1.24 0.32 0.00 1.87 0.00 -1.25 -2.06 119.26 119.38 1q48 h ALA 119 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1q48 h ALA 119 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1q48 h ALA 119 CO -0.12 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1q48 n ASP 120 N -4.60 0.00 -0.09 0.00 8.00 -0.65 -2.33 116.55 116.88 1q48 n ASP 120 Ca -0.04 0.38 -0.16 0.00 0.71 0.00 0.00 54.79 55.69 1q48 n ASP 120 Cb 0.28 -0.43 -0.09 0.00 -0.02 0.00 0.00 41.12 40.85 1q48 n ASP 120 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1q48 h TYR 121 N 0.00 0.00 -0.73 1.24 3.20 -0.16 -3.28 116.97 117.24 1q48 h TYR 121 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1q48 h TYR 121 Cb 0.15 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1q48 h TYR 121 CO 0.00 1.04 0.38 0.87 -1.64 0.00 0.00 178.16 178.81 1q48 h LYS 122 N -1.00 1.03 0.00 1.82 1.57 -1.33 -0.07 116.57 118.59 1q48 h LYS 122 Ca -0.20 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1q48 h LYS 122 Cb 1.02 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1q48 h LYS 122 CO -0.12 0.78 0.00 0.00 -0.57 0.00 0.00 179.45 179.55 1q48 n ALA 123 N -2.36 1.98 -0.82 3.86 0.00 -0.99 -1.83 120.51 120.35 1q48 n ALA 123 Ca 0.06 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1q48 n ALA 123 Cb 0.11 -1.22 0.34 0.00 0.00 0.00 0.00 19.45 18.68 1q48 n ALA 123 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1q48 n LYS 124 N -1.03 3.99 -0.00 0.00 3.00 -0.04 -3.83 118.16 120.24 1q48 n LYS 124 Ca 0.10 -2.96 -0.00 0.00 -0.00 0.00 0.00 58.31 55.45 1q48 n LYS 124 Cb 0.05 -2.01 -0.00 0.00 0.00 0.00 0.00 35.03 33.07 1q48 n LYS 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1q48 n GLN 125 N 0.44 0.02 0.01 1.64 6.02 -0.76 -4.08 117.38 120.67 1q48 n GLN 125 Ca 0.25 0.26 0.12 0.00 -0.01 0.00 0.00 57.00 57.62 1q48 n GLN 125 Cb 1.00 -0.79 0.25 0.00 1.02 0.00 0.00 30.24 31.72 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q48 n GLY 126 N 1.74 -1.29 3.42 1.08 0.00 -1.26 -4.94 105.19 103.95 1q48 n GLY 126 Ca -0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1q48 n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q48 n LEU 127 N -1.61 -3.38 -4.94 0.99 4.77 -1.25 -4.99 117.00 106.59 1q48 n LEU 127 Ca 0.05 -0.51 -0.24 0.00 -0.03 0.00 0.00 56.01 55.28 1q48 n LEU 127 Cb 0.35 -2.87 0.04 0.00 -2.33 0.00 0.00 43.42 38.61 1q48 n LEU 127 CO 0.35 0.58 0.46 -1.83 -1.33 0.00 0.00 177.39 175.62 1q48 s GLU 128 N -6.10 2.71 0.00 3.23 1.03 -1.26 -5.08 118.70 113.23 1q48 s GLU 128 Ca 0.48 -0.34 0.00 0.00 0.03 0.00 0.00 54.97 55.14 1q48 s GLU 128 Cb -0.21 -2.36 0.00 0.00 -0.80 0.00 0.00 34.13 30.76 1q48 s GLU 128 CO 0.68 -0.73 0.00 0.72 -1.33 0.00 0.00 175.26 174.60 1q48 n HIS 129 N -2.49 0.00 0.00 4.83 8.25 -1.26 -5.05 115.22 119.50 1q48 n HIS 129 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1q48 n HIS 129 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1q48 n HIS 129 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1q48 n HIS 130 N 0.00 0.00 -3.15 4.41 1.44 -1.26 -5.04 115.22 111.63 1q48 n HIS 130 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 1q48 n HIS 130 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 1q48 n HIS 130 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1q48 s HIS 131 N -1.16 -1.61 -0.20 -1.40 2.46 -1.26 -5.12 115.29 107.00 1q48 s HIS 131 Ca 0.00 0.79 -0.03 0.00 0.47 0.00 0.00 55.06 56.29 1q48 s HIS 131 Cb 0.00 0.28 0.06 0.00 -0.13 0.00 0.00 32.58 32.79 1q48 s HIS 131 CO 0.00 -0.97 0.03 -3.38 -2.47 0.00 0.00 174.74 167.95 1q48 s HIS 132 N 2.63 1.08 -0.80 3.88 -0.00 -1.26 -4.97 115.29 115.85 1q48 s HIS 132 Ca 0.14 -0.90 0.11 0.00 -0.00 0.00 0.00 55.06 54.41 1q48 s HIS 132 Cb -0.07 -1.05 0.32 0.00 -0.00 0.00 0.00 32.58 31.77 1q48 s HIS 132 CO -0.22 -0.62 1.26 -2.39 -0.00 0.00 0.00 174.74 172.78 1q48 n HIS 133 N 5.03 0.50 0.40 0.38 1.44 -1.26 -5.17 115.22 116.54 1q48 n HIS 133 Ca -0.09 -0.54 0.05 0.00 -2.01 0.00 0.00 57.72 55.12 1q48 n HIS 133 Cb 0.47 -0.06 0.04 0.00 0.12 0.00 0.00 29.99 30.56 1q48 n HIS 133 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14