#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 s ALA 2 N 0.00 3.56 -1.22 -5.12 0.00 -1.26 -4.99 121.76 112.73 1q48 s ALA 2 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.90 1q48 s ALA 2 Cb 0.00 -2.69 0.17 0.00 0.00 0.00 0.00 23.12 20.60 1q48 s ALA 2 CO 0.00 0.35 1.46 0.66 0.00 0.00 0.00 175.76 178.23 1q48 n TYR 3 N 1.85 4.95 -2.11 0.00 4.01 -1.26 -4.71 117.16 119.88 1q48 n TYR 3 Ca -0.09 -3.33 -0.16 0.00 -0.16 0.00 0.00 57.90 54.15 1q48 n TYR 3 Cb 0.51 -2.21 0.05 0.00 -0.31 0.00 0.00 39.34 37.37 1q48 n TYR 3 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1q48 n SER 4 N 5.77 3.97 -4.10 7.72 7.64 -1.26 -4.92 113.62 128.44 1q48 n SER 4 Ca 0.38 -3.46 -0.43 0.00 1.01 0.00 0.00 58.87 56.36 1q48 n SER 4 Cb 0.43 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1q48 n SER 4 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q48 n GLU 5 N -0.71 3.85 -0.17 1.43 1.02 -1.26 -4.76 120.64 120.04 1q48 n GLU 5 Ca 0.35 -4.09 0.01 0.00 -0.02 0.00 0.00 57.16 53.41 1q48 n GLU 5 Cb 0.92 -2.74 0.08 0.00 -0.02 0.00 0.00 31.44 29.68 1q48 n GLU 5 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1q48 n LYS 6 N 3.13 1.75 -2.02 3.49 2.85 -1.26 -4.48 118.16 121.62 1q48 n LYS 6 Ca 0.32 -0.62 -0.41 0.00 -1.05 0.00 0.00 58.31 56.55 1q48 n LYS 6 Cb 0.37 -1.62 -0.00 0.00 -0.65 0.00 0.00 35.03 33.13 1q48 n LYS 6 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1q48 n VAL 7 N 0.11 4.95 0.64 0.58 0.24 -1.26 -4.66 118.33 118.93 1q48 n VAL 7 Ca 0.05 -4.20 0.01 0.00 -2.04 0.00 0.00 64.34 58.16 1q48 n VAL 7 Cb 0.42 -2.18 0.07 0.00 -1.47 0.00 0.00 33.84 30.67 1q48 n VAL 7 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1q48 n ILE 8 N 2.26 0.63 0.00 1.34 5.41 -1.26 -4.26 119.36 123.48 1q48 n ILE 8 Ca 0.58 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 64.06 1q48 n ILE 8 Cb 0.27 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.69 1q48 n ILE 8 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1q48 n ASP 9 N 0.13 0.00 -3.87 4.38 5.75 -1.26 -5.02 116.55 116.66 1q48 n ASP 9 Ca 0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.51 1q48 n ASP 9 Cb 0.46 -0.01 0.01 0.00 -1.03 0.00 0.00 41.12 40.55 1q48 n ASP 9 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1q48 n HIS 10 N -2.17 -1.34 -2.64 2.11 -0.00 -1.26 -4.82 115.22 105.09 1q48 n HIS 10 Ca 0.00 0.28 -0.36 0.00 0.46 0.00 0.00 57.72 58.10 1q48 n HIS 10 Cb 0.00 -2.29 0.00 0.00 -0.12 0.00 0.00 29.99 27.58 1q48 n HIS 10 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 1q48 n TYR 11 N -3.63 3.19 0.01 1.57 9.36 -1.26 -4.59 117.16 121.81 1q48 n TYR 11 Ca -0.16 -2.96 0.00 0.00 3.32 0.00 0.00 57.90 58.09 1q48 n TYR 11 Cb 0.51 -0.94 0.00 0.00 -0.63 0.00 0.00 39.34 38.28 1q48 n TYR 11 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1q48 n GLU 12 N -0.18 0.00 -1.03 2.98 0.00 -1.26 -5.07 120.64 116.07 1q48 n GLU 12 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 57.23 1q48 n GLU 12 Cb 0.31 -0.30 0.05 0.00 0.00 0.00 0.00 31.44 31.50 1q48 n GLU 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1q48 n ASN 13 N -2.89 -4.82 0.00 4.31 4.13 -1.26 -4.77 115.26 109.96 1q48 n ASN 13 Ca 0.00 0.31 0.11 0.00 1.68 0.00 0.00 54.58 56.68 1q48 n ASN 13 Cb 0.27 -0.86 0.66 0.00 -1.54 0.00 0.00 39.78 38.30 1q48 n ASN 13 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1q48 n PRO 14 N 1.58 0.69 -1.69 3.52 -0.04 -1.26 -4.99 135.00 132.81 1q48 n PRO 14 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1q48 n PRO 14 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1q48 n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1q48 n ARG 15 N -1.00 -4.54 -2.61 0.54 5.12 -1.26 -4.65 116.66 108.25 1q48 n ARG 15 Ca 0.17 3.38 -0.41 0.00 -1.93 0.00 0.00 57.85 59.05 1q48 n ARG 15 Cb 0.08 -3.84 0.02 0.00 -1.16 0.00 0.00 32.46 27.55 1q48 n ARG 15 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1q48 n ASN 16 N -0.77 7.35 -4.48 0.55 4.05 -1.26 -5.02 115.26 115.67 1q48 n ASN 16 Ca 0.00 -3.70 -0.30 0.00 0.45 0.00 0.00 54.58 51.03 1q48 n ASN 16 Cb 0.00 -1.16 0.20 0.00 1.23 0.00 0.00 39.78 40.05 1q48 n ASN 16 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 1q48 n VAL 17 N -0.08 0.00 0.00 3.44 3.14 -1.26 -4.58 118.33 118.99 1q48 n VAL 17 Ca 0.47 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 1q48 n VAL 17 Cb 0.26 -0.88 0.00 0.00 -1.06 0.00 0.00 33.84 32.16 1q48 n VAL 17 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1q48 n GLY 18 N 1.06 2.18 3.88 7.55 0.00 -1.26 -5.11 105.19 113.49 1q48 n GLY 18 Ca 0.06 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1q48 n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q48 s SER 19 N 0.00 6.15 0.01 1.61 0.01 -1.26 -5.06 113.70 115.16 1q48 s SER 19 Ca 0.00 1.23 0.07 0.00 1.31 0.00 0.00 55.95 58.56 1q48 s SER 19 Cb 0.00 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1q48 s SER 19 CO 0.00 -0.83 -0.20 -0.76 0.41 0.00 0.00 173.24 171.86 1q48 s LEU 20 N -5.06 2.09 -0.20 2.44 1.43 -1.26 -4.91 118.68 113.20 1q48 s LEU 20 Ca 0.53 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1q48 s LEU 20 Cb -0.11 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1q48 s LEU 20 CO 0.51 0.21 0.01 0.47 0.23 0.00 0.00 176.35 177.77 1q48 n ASP 21 N 2.29 -7.30 0.00 2.29 9.92 -1.26 -4.67 116.55 117.82 1q48 n ASP 21 Ca -0.16 1.10 0.02 0.00 -0.53 0.00 0.00 54.79 55.22 1q48 n ASP 21 Cb 0.53 -4.08 0.11 0.00 -0.64 0.00 0.00 41.12 37.05 1q48 n ASP 21 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1q48 n LYS 22 N 0.97 0.14 0.32 -1.24 0.00 -1.26 -2.46 118.16 114.62 1q48 n LYS 22 Ca -0.02 0.00 0.19 0.00 -0.00 0.00 0.00 58.31 58.48 1q48 n LYS 22 Cb 0.18 -1.43 1.06 0.00 -0.00 0.00 0.00 35.03 34.84 1q48 n LYS 22 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1q48 h LYS 23 N 0.00 0.00 -2.26 -1.58 3.64 -2.02 -3.45 116.57 110.90 1q48 h LYS 23 Ca 0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 1q48 h LYS 23 Cb 0.00 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 1q48 h LYS 23 CO 0.00 0.00 -0.40 -0.25 -2.27 0.00 0.00 179.45 176.53 1q48 n ASP 24 N -3.46 -5.03 0.00 4.20 8.00 -1.03 -4.78 116.55 114.45 1q48 n ASP 24 Ca -0.03 0.24 0.07 0.00 0.71 0.00 0.00 54.79 55.78 1q48 n ASP 24 Cb 0.09 -4.35 0.41 0.00 -0.02 0.00 0.00 41.12 37.25 1q48 n ASP 24 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1q48 n SER 25 N -1.53 0.00 0.00 -2.24 2.88 -1.26 -4.09 113.62 107.39 1q48 n SER 25 Ca -0.20 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1q48 n SER 25 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1q48 n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1q48 n ASN 26 N -0.88 0.00 -4.18 -3.46 0.23 -1.26 -5.00 115.26 100.70 1q48 n ASN 26 Ca 0.10 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.76 1q48 n ASN 26 Cb 0.05 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.66 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1q48 s VAL 27 N 0.00 4.10 -0.67 3.53 1.01 -1.26 -2.10 120.40 125.01 1q48 s VAL 27 Ca 0.00 -2.17 -0.27 0.00 0.00 0.00 0.00 61.98 59.54 1q48 s VAL 27 Cb 0.00 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1q48 s VAL 27 CO 0.00 -0.81 1.49 -0.83 0.00 0.00 0.00 175.10 174.95 1q48 s GLY 28 N 2.03 0.66 -0.00 4.51 0.00 -0.78 -4.60 107.32 109.14 1q48 s GLY 28 Ca 0.10 -1.01 -0.24 0.00 0.00 0.00 0.00 44.72 43.58 1q48 s GLY 28 CO -0.03 2.93 0.71 -1.59 0.00 0.00 0.00 173.10 175.12 1q48 s THR 29 N 6.88 4.87 0.03 0.90 2.01 -1.26 -2.34 115.64 126.74 1q48 s THR 29 Ca 0.49 1.49 0.04 0.00 0.31 0.00 0.00 61.69 64.02 1q48 s THR 29 Cb -0.10 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 1q48 s THR 29 CO 0.19 0.34 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.51 1q48 s GLY 30 N 0.20 0.64 -0.20 4.40 0.00 0.17 -3.95 107.32 108.58 1q48 s GLY 30 Ca 0.37 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 1q48 s GLY 30 CO 0.20 -0.71 0.22 -0.29 0.00 0.00 0.00 173.10 172.53 1q48 s MET 31 N -1.08 0.18 -0.01 2.90 0.00 -1.26 -2.17 119.30 117.87 1q48 s MET 31 Ca -0.01 0.24 -0.02 0.00 0.00 0.00 0.00 55.69 55.90 1q48 s MET 31 Cb -0.07 -1.12 -0.00 0.00 0.00 0.00 0.00 34.83 33.63 1q48 s MET 31 CO 0.01 -0.63 0.05 0.14 0.00 0.00 0.00 175.02 174.59 1q48 s VAL 32 N 2.33 0.04 0.32 10.11 -7.23 -0.69 -5.03 120.40 120.25 1q48 s VAL 32 Ca 0.07 -0.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 1q48 s VAL 32 Cb -0.15 -0.19 -0.02 0.00 0.56 0.00 0.00 36.38 36.57 1q48 s VAL 32 CO -0.12 -0.19 0.32 -0.83 -0.31 0.00 0.00 175.10 173.97 1q48 s GLY 33 N -0.59 2.01 -0.45 2.32 0.00 -1.26 -1.21 107.32 108.14 1q48 s GLY 33 Ca -0.07 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 42.81 1q48 s GLY 33 CO 0.00 -1.33 0.20 0.00 0.00 0.00 0.00 173.10 171.98 1q48 s ALA 34 N -3.40 2.86 0.31 3.20 0.00 0.10 -4.92 121.76 119.91 1q48 s ALA 34 Ca 0.38 -2.88 0.07 0.00 0.00 0.00 0.00 51.96 49.53 1q48 s ALA 34 Cb 0.02 -2.03 0.79 0.00 0.00 0.00 0.00 23.12 21.90 1q48 s ALA 34 CO 0.24 -1.94 1.76 -1.35 0.00 0.00 0.00 175.76 174.46 1q48 h PRO 35 N 6.87 0.66 -0.92 0.00 0.11 -1.93 0.64 132.00 137.43 1q48 h PRO 35 Ca -0.06 -0.04 0.29 0.00 0.11 0.00 0.00 66.00 66.30 1q48 h PRO 35 Cb 0.93 -0.15 -0.17 0.00 0.11 0.00 0.00 31.00 31.72 1q48 h PRO 35 CO 0.60 0.44 0.16 0.00 -0.21 0.00 0.00 178.00 178.98 1q48 n ALA 36 N -2.33 0.61 0.06 -0.75 0.00 -1.26 -1.48 120.51 115.36 1q48 n ALA 36 Ca 0.24 0.97 0.01 0.00 0.00 0.00 0.00 53.44 54.67 1q48 n ALA 36 Cb 0.63 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 19.29 1q48 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q48 n GLY 38 N 1.45 0.82 3.21 0.00 0.00 0.22 -5.05 105.19 105.83 1q48 n GLY 38 Ca 0.00 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1q48 n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q48 s ASP 39 N -2.81 4.93 -0.08 1.61 2.15 -0.92 -4.91 116.67 116.64 1q48 s ASP 39 Ca 0.00 -1.17 -0.21 0.00 0.43 0.00 0.00 52.55 51.60 1q48 s ASP 39 Cb 0.00 -1.75 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 1q48 s ASP 39 CO 0.00 -0.25 0.62 0.68 -0.17 0.00 0.00 175.17 176.04 1q48 s VAL 40 N 1.31 5.08 -0.07 1.11 -7.23 -1.26 -0.72 120.40 118.61 1q48 s VAL 40 Ca -0.04 1.27 -0.02 0.00 -1.81 0.00 0.00 61.98 61.38 1q48 s VAL 40 Cb -0.19 -3.96 0.03 0.00 0.56 0.00 0.00 36.38 32.82 1q48 s VAL 40 CO -0.00 0.29 0.02 -0.32 -0.31 0.00 0.00 175.10 174.78 1q48 s MET 41 N 0.63 0.38 -0.09 4.82 1.75 -0.35 -3.82 119.30 122.62 1q48 s MET 41 Ca 0.33 0.15 0.00 0.00 -1.25 0.00 0.00 55.69 54.92 1q48 s MET 41 Cb -0.17 -0.94 -0.03 0.00 2.84 0.00 0.00 34.83 36.53 1q48 s MET 41 CO 0.16 -0.35 -0.08 -1.14 -0.65 0.00 0.00 175.02 172.96 1q48 s GLN 42 N 2.03 3.02 0.01 4.11 0.74 -0.91 -1.70 119.66 126.96 1q48 s GLN 42 Ca 0.05 -0.58 0.06 0.00 0.05 0.00 0.00 55.36 54.93 1q48 s GLN 42 Cb -0.13 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.32 1q48 s GLN 42 CO -0.05 0.50 -0.18 -1.17 -0.55 0.00 0.00 175.29 173.84 1q48 s LEU 43 N -0.36 2.08 -0.02 3.68 0.20 -0.92 -0.80 118.68 122.53 1q48 s LEU 43 Ca 0.05 -0.39 -0.01 0.00 0.69 0.00 0.00 54.13 54.47 1q48 s LEU 43 Cb -0.12 -0.89 0.02 0.00 -0.43 0.00 0.00 46.19 44.76 1q48 s LEU 43 CO 0.02 0.18 0.04 -1.10 -0.29 0.00 0.00 176.35 175.21 1q48 s GLN 44 N -0.69 0.02 -0.06 1.98 -0.21 -0.25 -0.65 119.66 119.79 1q48 s GLN 44 Ca 0.06 0.12 0.05 0.00 0.02 0.00 0.00 55.36 55.62 1q48 s GLN 44 Cb -0.07 -0.09 -0.02 0.00 1.00 0.00 0.00 33.01 33.83 1q48 s GLN 44 CO 0.00 -0.07 -0.21 0.96 -2.12 0.00 0.00 175.29 173.84 1q48 s ILE 45 N 0.47 2.38 -0.26 1.08 -4.36 -0.99 -0.96 121.20 118.56 1q48 s ILE 45 Ca -0.04 -0.95 -0.08 0.00 -0.26 0.00 0.00 60.65 59.32 1q48 s ILE 45 Cb -0.05 -1.89 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 1q48 s ILE 45 CO -0.02 0.57 0.09 -0.75 0.24 0.00 0.00 174.94 175.07 1q48 s LYS 46 N -0.25 3.57 0.03 0.37 2.20 -0.65 -1.87 119.74 123.14 1q48 s LYS 46 Ca -0.00 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.10 1q48 s LYS 46 Cb -0.13 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1q48 s LYS 46 CO 0.03 -0.24 -0.02 0.08 -0.36 0.00 0.00 175.35 174.83 1q48 s VAL 47 N 1.61 3.93 0.00 4.02 1.01 -0.89 -2.57 120.40 127.51 1q48 s VAL 47 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1q48 s VAL 47 Cb -0.16 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1q48 s VAL 47 CO 0.04 0.29 0.00 0.47 0.00 0.00 0.00 175.10 175.90 1q48 n ASP 48 N 1.15 0.00 -2.06 3.32 8.00 -0.96 -4.72 116.55 121.27 1q48 n ASP 48 Ca -0.14 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.36 1q48 n ASP 48 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 1q48 n ASP 48 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1q48 n ASP 49 N -0.35 0.66 -0.66 -2.24 9.92 -1.20 -4.11 116.55 118.56 1q48 n ASP 49 Ca 0.00 -1.29 0.00 0.00 -0.53 0.00 0.00 54.79 52.97 1q48 n ASP 49 Cb 0.00 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1q48 n ASN 50 N 2.19 -1.90 0.00 -2.24 3.02 -1.26 -3.66 115.26 111.40 1q48 n ASN 50 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1q48 n ASN 50 Cb 0.07 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 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 -0.66 0.79 3.92 7.41 0.00 -1.26 -5.04 105.19 110.35 1q48 n GLY 51 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.12 5.29 -0.33 -0.61 -1.09 -1.24 -4.42 121.20 115.68 1q48 s ILE 52 Ca 0.00 -0.32 -0.25 0.00 -2.23 0.00 0.00 60.65 57.84 1q48 s ILE 52 Cb 0.00 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1q48 s ILE 52 CO 0.00 0.02 0.89 -0.63 -1.23 0.00 0.00 174.94 173.99 1q48 s ILE 53 N -1.65 4.66 -0.22 2.92 1.01 -0.86 -2.26 121.20 124.80 1q48 s ILE 53 Ca 0.37 1.30 -0.09 0.00 0.00 0.00 0.00 60.65 62.23 1q48 s ILE 53 Cb -0.12 -4.27 -0.18 0.00 0.01 0.00 0.00 42.46 37.90 1q48 s ILE 53 CO 0.27 -0.40 -0.05 1.21 0.00 0.00 0.00 174.94 175.98 1q48 n GLU 54 N 6.53 0.64 -4.50 2.79 0.00 -1.06 -1.52 120.64 123.52 1q48 n GLU 54 Ca 0.07 0.28 -0.23 0.00 0.00 0.00 0.00 57.16 57.28 1q48 n GLU 54 Cb 0.48 -1.60 -0.16 0.00 0.00 0.00 0.00 31.44 30.16 1q48 n GLU 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1q48 s ASP 55 N -6.97 1.56 -0.21 4.31 -4.77 -1.24 -3.94 116.67 105.40 1q48 s ASP 55 Ca -0.32 -0.25 -0.03 0.00 -3.30 0.00 0.00 52.55 48.64 1q48 s ASP 55 Cb 0.10 -0.66 -0.01 0.00 -1.09 0.00 0.00 42.92 41.25 1q48 s ASP 55 CO 0.61 0.03 -0.05 0.00 0.70 0.00 0.00 175.17 176.46 1q48 s ALA 56 N 0.59 2.81 -0.34 2.11 0.00 -1.26 -1.63 121.76 124.04 1q48 s ALA 56 Ca -0.12 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.60 1q48 s ALA 56 Cb -0.14 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 1q48 s ALA 56 CO 0.03 -0.33 0.23 0.21 0.00 0.00 0.00 175.76 175.90 1q48 s LYS 57 N 1.31 3.45 0.38 0.00 2.47 -0.13 -4.99 119.74 122.24 1q48 s LYS 57 Ca 0.04 -0.67 0.07 0.00 -1.56 0.00 0.00 55.97 53.85 1q48 s LYS 57 Cb -0.14 -3.79 -0.01 0.00 -1.46 0.00 0.00 37.83 32.43 1q48 s LYS 57 CO -0.02 -0.46 0.48 -0.59 0.16 0.00 0.00 175.35 174.92 1q48 s PHE 58 N 1.71 2.90 -0.42 4.03 -0.71 -1.26 -1.09 117.98 123.14 1q48 s PHE 58 Ca 0.06 -0.35 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 1q48 s PHE 58 Cb -0.17 -2.16 0.17 0.00 -1.21 0.00 0.00 43.02 39.65 1q48 s PHE 58 CO 0.10 -0.17 0.44 0.15 -1.34 0.00 0.00 175.22 174.40 1q48 s LYS 59 N -4.22 0.85 -0.19 1.99 -0.14 0.01 -4.92 119.74 113.13 1q48 s LYS 59 Ca 0.49 -1.42 -0.14 0.00 -1.36 0.00 0.00 55.97 53.54 1q48 s LYS 59 Cb -0.08 -0.85 -0.04 0.00 -1.68 0.00 0.00 37.83 35.18 1q48 s LYS 59 CO 0.31 -1.31 0.32 0.95 -0.76 0.00 0.00 175.35 174.86 1q48 s THR 60 N 0.74 5.27 -0.14 2.17 -4.23 -1.26 -2.13 115.64 116.06 1q48 s THR 60 Ca 0.26 0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 61.19 1q48 s THR 60 Cb -0.04 -3.66 0.04 0.00 1.34 0.00 0.00 72.50 70.18 1q48 s THR 60 CO -0.10 0.33 0.41 -0.47 -0.54 0.00 0.00 174.62 174.25 1q48 s TYR 61 N 0.89 -0.43 0.00 3.99 5.04 -1.25 -4.94 117.35 120.65 1q48 s TYR 61 Ca 0.16 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1q48 s TYR 61 Cb -0.14 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.33 1q48 s TYR 61 CO 0.06 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 1q48 n GLY 62 N 2.60 3.10 3.97 8.97 0.00 -1.26 -4.07 105.19 118.49 1q48 n GLY 62 Ca -0.14 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.63 0.92 1.20 0.00 0.00 -1.26 -4.70 105.19 98.72 1q48 n GLY 64 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.53 4.05 -0.08 1.61 7.64 -1.26 -4.34 113.62 120.70 1q48 n SER 65 Ca 0.00 -2.36 -0.09 0.00 1.01 0.00 0.00 58.87 57.43 1q48 n SER 65 Cb 0.00 -0.47 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 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 0.79 1.59 -0.42 -0.43 0.00 -1.26 -4.41 120.51 116.38 1q48 n ALA 66 Ca 0.21 -1.05 0.35 0.00 0.00 0.00 0.00 53.44 52.95 1q48 n ALA 66 Cb 0.73 -0.08 0.58 0.00 0.00 0.00 0.00 19.45 20.69 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 -2.67 -0.19 0.03 0.00 -0.00 -1.26 0.75 119.36 116.02 1q48 n ILE 67 Ca -0.28 1.50 -0.08 0.00 -0.00 0.00 0.00 62.75 63.88 1q48 n ILE 67 Cb 1.01 -2.46 -0.06 0.00 -0.00 0.00 0.00 39.64 38.13 1q48 n ILE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1q48 h ALA 68 N 1.30 -0.18 -1.00 -1.39 0.00 -1.88 -1.20 119.26 114.89 1q48 h ALA 68 Ca 0.75 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 55.65 1q48 h ALA 68 Cb 2.46 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 20.22 1q48 h ALA 68 CO -0.36 -0.22 0.61 0.77 0.00 0.00 0.00 179.25 180.06 1q48 h SER 69 N -0.96 0.78 0.20 0.00 0.02 0.12 0.66 113.55 114.37 1q48 h SER 69 Ca -0.02 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1q48 h SER 69 Cb 0.46 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1q48 h SER 69 CO 0.03 0.27 -0.09 0.77 -1.14 0.00 0.00 176.83 176.66 1q48 h SER 70 N 0.75 -0.22 0.00 3.07 4.64 -0.67 -2.47 113.55 118.65 1q48 h SER 70 Ca 0.58 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1q48 h SER 70 Cb 0.92 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1q48 h SER 70 CO -0.38 -0.06 0.68 -1.28 -0.87 0.00 0.00 176.83 174.92 1q48 h SER 71 N -0.46 0.00 0.00 4.97 0.87 -0.92 -0.14 113.55 117.88 1q48 h SER 71 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1q48 h SER 71 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1q48 h SER 71 CO 0.04 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.23 1q48 n LEU 72 N -2.51 2.48 -0.37 2.23 7.94 0.20 -1.86 117.00 125.11 1q48 n LEU 72 Ca -0.01 0.09 0.28 0.00 -1.11 0.00 0.00 56.01 55.26 1q48 n LEU 72 Cb 0.70 -0.08 0.55 0.00 0.53 0.00 0.00 43.42 45.12 1q48 n LEU 72 CO 0.05 -0.08 1.21 -0.29 -1.11 0.00 0.00 177.39 177.17 1q48 h ILE 73 N 0.00 0.35 -0.41 1.96 2.10 -1.03 0.69 117.51 121.17 1q48 h ILE 73 Ca 0.00 -0.09 -0.14 0.00 1.08 0.00 0.00 64.86 65.71 1q48 h ILE 73 Cb 0.00 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 35.77 1q48 h ILE 73 CO 0.00 0.05 -0.29 0.71 -1.08 0.00 0.00 178.15 177.54 1q48 h THR 74 N 0.28 1.27 0.00 2.19 1.35 -1.18 0.12 112.91 116.94 1q48 h THR 74 Ca 0.69 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1q48 h THR 74 Cb 1.90 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1q48 h THR 74 CO -0.38 0.49 0.00 1.21 -0.25 0.00 0.00 175.52 176.58 1q48 n GLU 75 N -4.08 0.12 -0.05 4.72 2.13 0.21 -1.66 120.64 122.02 1q48 n GLU 75 Ca -0.01 0.10 -0.02 0.00 0.66 0.00 0.00 57.16 57.89 1q48 n GLU 75 Cb 0.49 -1.64 -0.15 0.00 0.27 0.00 0.00 31.44 30.40 1q48 n GLU 75 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1q48 n TRP 76 N -1.85 0.14 0.00 4.31 -0.00 0.48 -4.38 117.44 116.14 1q48 n TRP 76 Ca 0.06 0.05 -0.15 0.00 -0.00 0.00 0.00 57.50 57.46 1q48 n TRP 76 Cb 0.38 -0.86 -0.14 0.00 -0.00 0.00 0.00 31.31 30.69 1q48 n TRP 76 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1q48 h VAL 77 N 0.00 0.81 -1.48 5.87 2.07 -0.77 -3.43 116.25 119.32 1q48 h VAL 77 Ca -0.33 -2.58 -0.69 0.00 0.82 0.00 0.00 66.70 63.93 1q48 h VAL 77 Cb 1.77 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 1q48 h VAL 77 CO 0.02 0.70 1.14 1.17 0.02 0.00 0.00 177.57 180.63 1q48 n LYS 78 N -3.28 1.37 0.00 1.57 4.81 -0.67 0.97 118.16 122.94 1q48 n LYS 78 Ca -0.23 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1q48 n LYS 78 Cb 1.05 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.74 1q48 n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q48 n GLY 79 N 5.14 0.13 3.14 3.14 0.00 -0.58 -4.98 105.19 111.18 1q48 n GLY 79 Ca 0.31 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.86 -0.25 -3.42 1.61 4.76 0.27 -4.83 118.16 114.44 1q48 n LYS 80 Ca 0.00 -2.07 -0.22 0.00 -2.87 0.00 0.00 58.31 53.15 1q48 n LYS 80 Cb 0.00 -0.69 0.02 0.00 -1.84 0.00 0.00 35.03 32.52 1q48 n LYS 80 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1q48 n SER 81 N -3.12 2.44 0.19 4.39 7.64 -1.26 -2.03 113.62 121.86 1q48 n SER 81 Ca 0.13 -2.66 0.08 0.00 1.01 0.00 0.00 58.87 57.43 1q48 n SER 81 Cb 0.48 -0.13 0.19 0.00 -1.01 0.00 0.00 64.21 63.74 1q48 n SER 81 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1q48 h LEU 82 N 0.00 0.00 -0.35 -3.43 3.38 -1.96 -2.54 115.31 110.40 1q48 h LEU 82 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1q48 h LEU 82 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1q48 h LEU 82 CO 0.46 0.27 0.00 1.21 0.09 0.00 0.00 178.44 180.47 1q48 n GLU 83 N -3.22 0.20 -0.12 1.13 4.07 -1.26 -0.42 120.64 121.02 1q48 n GLU 83 Ca 0.02 0.31 -0.19 0.00 -0.06 0.00 0.00 57.16 57.24 1q48 n GLU 83 Cb 0.59 -1.81 -0.11 0.00 -0.06 0.00 0.00 31.44 30.05 1q48 n GLU 83 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1q48 n GLU 84 N -2.17 0.60 -0.03 5.31 1.02 -1.12 -4.35 120.64 119.89 1q48 n GLU 84 Ca 0.04 0.16 0.13 0.00 -0.02 0.00 0.00 57.16 57.47 1q48 n GLU 84 Cb 0.31 -1.48 0.46 0.00 -0.02 0.00 0.00 31.44 30.71 1q48 n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q48 n ALA 85 N -3.40 2.55 -2.06 0.62 0.00 -0.97 -3.60 120.51 113.64 1q48 n ALA 85 Ca -0.45 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.19 1q48 n ALA 85 Cb 0.94 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 19.29 1q48 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q48 n GLY 86 N 1.16 5.89 0.00 0.00 0.00 0.44 -4.55 105.19 108.14 1q48 n GLY 86 Ca 0.18 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.60 0.00 -1.01 4.61 0.00 -1.26 -4.89 120.51 117.36 1q48 n ALA 87 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.58 1q48 n ALA 87 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.16 0.00 -4.37 0.00 -5.35 -1.24 -4.96 119.36 103.28 1q48 n ILE 88 Ca 0.00 -0.45 -0.24 0.00 -0.27 0.00 0.00 62.75 61.78 1q48 n ILE 88 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.81 1q48 n ILE 88 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1q48 s LYS 89 N -1.41 1.96 0.12 6.28 1.02 -1.26 -4.97 119.74 121.48 1q48 s LYS 89 Ca 0.43 -1.53 -0.12 0.00 0.02 0.00 0.00 55.97 54.77 1q48 s LYS 89 Cb -0.29 -1.99 -0.10 0.00 -0.52 0.00 0.00 37.83 34.93 1q48 s LYS 89 CO 0.68 0.37 1.39 -2.95 -0.92 0.00 0.00 175.35 173.92 1q48 h ASN 90 N 2.31 0.97 -1.07 2.83 -1.07 -1.92 -3.01 115.58 114.60 1q48 h ASN 90 Ca -0.43 -0.54 0.29 0.00 0.07 0.00 0.00 56.30 55.69 1q48 h ASN 90 Cb 1.24 -0.28 -0.11 0.00 -2.07 0.00 0.00 38.32 37.11 1q48 h ASN 90 CO 0.58 1.33 0.68 0.28 0.07 0.00 0.00 177.43 180.37 1q48 h SER 91 N 0.65 0.45 0.18 6.14 0.02 -1.96 0.13 113.55 119.16 1q48 h SER 91 Ca 0.01 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1q48 h SER 91 Cb 1.17 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1q48 h SER 91 CO 0.12 0.03 -0.09 -0.61 -1.14 0.00 0.00 176.83 175.15 1q48 h GLN 92 N 0.36 -0.24 -0.88 3.45 5.75 -1.95 -1.79 115.11 119.81 1q48 h GLN 92 Ca 0.65 0.02 0.24 0.00 -0.15 0.00 0.00 58.65 59.40 1q48 h GLN 92 Cb 1.65 0.05 -0.15 0.00 1.07 0.00 0.00 27.48 30.10 1q48 h GLN 92 CO -0.36 -0.16 0.20 0.82 -2.65 0.00 0.00 178.83 176.68 1q48 h ILE 93 N -0.37 0.28 -0.99 2.39 2.04 -1.42 1.07 117.51 120.51 1q48 h ILE 93 Ca -0.03 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1q48 h ILE 93 Cb 0.19 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.30 1q48 h ILE 93 CO 0.04 0.03 0.64 0.00 0.00 0.00 0.00 178.15 178.86 1q48 h ALA 94 N 1.80 1.41 0.00 1.87 0.00 -0.78 0.34 119.26 123.90 1q48 h ALA 94 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1q48 h ALA 94 Cb 1.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1q48 h ALA 94 CO -0.69 0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.40 1q48 n GLU 95 N -4.49 0.00 -0.02 0.00 1.02 0.35 -2.23 120.64 115.27 1q48 n GLU 95 Ca 0.15 0.10 -0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1q48 n GLU 95 Cb 0.18 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1q48 n GLU 95 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1q48 h GLU 96 N 0.00 -0.02 0.00 3.49 4.81 0.16 -3.29 114.58 119.73 1q48 h GLU 96 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1q48 h GLU 96 Cb 0.40 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1q48 h GLU 96 CO 0.00 -0.02 0.00 1.28 -0.73 0.00 0.00 179.01 179.54 1q48 n LEU 97 N -4.00 0.00 -3.34 1.64 4.77 -1.01 -4.91 117.00 110.15 1q48 n LEU 97 Ca -0.00 0.13 -0.26 0.00 -0.03 0.00 0.00 56.01 55.85 1q48 n LEU 97 Cb 0.01 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1q48 n LEU 97 CO 0.01 -0.05 -0.14 1.21 -1.33 0.00 0.00 177.39 177.09 1q48 n GLU 98 N -1.13 -1.96 -4.34 3.23 4.07 -0.95 -4.99 120.64 114.57 1q48 n GLU 98 Ca 0.12 1.53 -0.23 0.00 -0.06 0.00 0.00 57.16 58.52 1q48 n GLU 98 Cb 0.11 -3.30 -0.13 0.00 -0.06 0.00 0.00 31.44 28.06 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 -2.94 2.25 0.40 4.31 2.34 -1.22 -5.07 118.68 118.75 1q48 s LEU 99 Ca 0.27 -0.61 -0.17 0.00 0.06 0.00 0.00 54.13 53.67 1q48 s LEU 99 Cb -0.04 -0.79 -0.14 0.00 -0.56 0.00 0.00 46.19 44.66 1q48 s LEU 99 CO 0.84 0.05 -0.01 -2.65 -1.06 0.00 0.00 176.35 173.52 1q48 n PRO 100 N 1.36 0.00 0.00 1.48 -0.02 -1.26 -4.96 135.00 131.61 1q48 n PRO 100 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1q48 n PRO 100 Cb 0.54 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 1q48 n PRO 100 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1q48 n PRO 101 N 1.26 0.00 0.00 0.52 -0.04 -1.26 -4.68 135.00 130.80 1q48 n PRO 101 Ca 0.09 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1q48 n PRO 101 Cb 0.39 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 1q48 n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1q48 n VAL 102 N -0.57 0.00 1.25 0.52 0.31 -1.26 0.41 118.33 119.00 1q48 n VAL 102 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1q48 n VAL 102 Cb 0.00 0.00 0.68 0.00 -0.91 0.00 0.00 33.84 33.61 1q48 n VAL 102 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1q48 n LYS 103 N 14.00 0.33 -3.37 5.55 4.81 -1.26 -4.87 118.16 133.35 1q48 n LYS 103 Ca 0.00 0.03 -0.24 0.00 -0.87 0.00 0.00 58.31 57.22 1q48 n LYS 103 Cb 0.00 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.50 1q48 n LYS 103 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1q48 n VAL 104 N -1.32 -0.11 0.24 3.15 3.14 0.17 -4.68 118.33 118.92 1q48 n VAL 104 Ca 0.12 -0.05 0.11 0.00 -2.96 0.00 0.00 64.34 61.56 1q48 n VAL 104 Cb 0.24 -0.35 0.57 0.00 -1.06 0.00 0.00 33.84 33.24 1q48 n VAL 104 CO 0.00 0.00 0.00 1.12 -6.46 0.00 0.00 176.83 171.49 1q48 h HIS 105 N -0.55 0.00 0.00 1.45 -0.00 -1.89 -3.04 115.15 111.12 1q48 h HIS 105 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1q48 h HIS 105 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 1q48 h HIS 105 CO 0.40 0.19 0.00 0.00 -0.00 0.00 0.00 177.93 178.53 1q48 h SER 107 N 0.00 0.32 0.00 0.00 0.02 -1.91 -2.00 113.55 109.97 1q48 h SER 107 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1q48 h SER 107 Cb 0.00 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1q48 h SER 107 CO 0.00 -0.08 0.00 -0.38 -1.14 0.00 0.00 176.83 175.23 1q48 n ILE 108 N -5.09 0.00 -0.44 3.27 5.41 -1.10 -1.29 119.36 120.12 1q48 n ILE 108 Ca 0.25 1.49 0.36 0.00 1.00 0.00 0.00 62.75 65.85 1q48 n ILE 108 Cb 0.77 -2.36 0.60 0.00 -0.71 0.00 0.00 39.64 37.94 1q48 n ILE 108 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1q48 n LEU 109 N -2.22 0.14 0.00 1.39 4.32 -0.10 -0.34 117.00 120.19 1q48 n LEU 109 Ca 0.00 1.09 0.00 0.00 -0.02 0.00 0.00 56.01 57.08 1q48 n LEU 109 Cb 0.00 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.26 1q48 n LEU 109 CO 0.00 -1.16 0.41 0.00 -1.22 0.00 0.00 177.39 175.42 1q48 n ALA 110 N -2.59 -0.36 -0.30 -1.18 0.00 -0.41 -0.75 120.51 114.90 1q48 n ALA 110 Ca 0.35 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.88 1q48 n ALA 110 Cb 1.41 0.00 0.32 0.00 0.00 0.00 0.00 19.45 21.17 1q48 n ALA 110 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1q48 h GLU 111 N 0.00 0.80 0.00 0.00 4.81 -0.59 0.22 114.58 119.83 1q48 h GLU 111 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1q48 h GLU 111 Cb 0.00 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1q48 h GLU 111 CO 0.00 0.53 -0.05 0.22 -0.73 0.00 0.00 179.01 178.98 1q48 h ASP 112 N 0.83 0.00 0.04 1.04 3.58 -0.62 -2.38 116.42 118.90 1q48 h ASP 112 Ca 0.46 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.91 1q48 h ASP 112 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1q48 h ASP 112 CO -0.23 0.05 -0.02 0.00 -2.88 0.00 0.00 179.24 176.17 1q48 h ALA 113 N 1.95 -0.05 -1.03 -0.78 0.00 0.16 -2.71 119.26 116.80 1q48 h ALA 113 Ca -0.00 -0.09 0.33 0.00 0.00 0.00 0.00 54.91 55.14 1q48 h ALA 113 Cb 0.10 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.77 1q48 h ALA 113 CO 0.01 -0.05 0.60 0.97 0.00 0.00 0.00 179.25 180.77 1q48 h ILE 114 N -1.01 0.29 0.37 0.00 6.09 -1.31 0.25 117.51 122.20 1q48 h ILE 114 Ca -0.01 -0.10 -0.02 0.00 -1.37 0.00 0.00 64.86 63.36 1q48 h ILE 114 Cb 0.21 -0.04 0.00 0.00 0.47 0.00 0.00 36.82 37.46 1q48 h ILE 114 CO 0.01 0.06 -0.18 0.11 -3.07 0.00 0.00 178.15 175.08 1q48 h LYS 115 N 0.31 -0.48 -0.72 2.19 1.79 -1.51 -2.44 116.57 115.71 1q48 h LYS 115 Ca 0.74 0.03 0.14 0.00 -2.18 0.00 0.00 60.65 59.38 1q48 h LYS 115 Cb 1.75 0.11 -0.14 0.00 -1.58 0.00 0.00 32.23 32.37 1q48 h LYS 115 CO -0.58 -0.16 -0.19 0.00 -1.08 0.00 0.00 179.45 177.45 1q48 h ALA 116 N -0.47 0.46 0.60 3.86 0.00 -0.65 0.94 119.26 124.00 1q48 h ALA 116 Ca -0.05 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1q48 h ALA 116 Cb 0.54 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1q48 h ALA 116 CO 0.08 -0.42 -0.51 0.00 0.00 0.00 0.00 179.25 178.40 1q48 h ALA 117 N 1.69 -1.20 -0.17 0.00 0.00 -1.27 0.40 119.26 118.71 1q48 h ALA 117 Ca 0.34 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1q48 h ALA 117 Cb 0.53 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1q48 h ALA 117 CO -0.74 -1.21 0.44 0.82 0.00 0.00 0.00 179.25 178.56 1q48 h ILE 118 N -1.08 0.13 -0.00 0.00 2.04 -0.72 0.25 117.51 118.12 1q48 h ILE 118 Ca -0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1q48 h ILE 118 Cb 0.92 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1q48 h ILE 118 CO -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.13 1q48 h ALA 119 N 1.29 0.00 0.05 1.87 0.00 0.13 -2.59 119.26 120.01 1q48 h ALA 119 Ca 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1q48 h ALA 119 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1q48 h ALA 119 CO -0.00 -0.16 -0.02 0.22 0.00 0.00 0.00 179.25 179.28 1q48 h ASP 120 N -0.65 -0.06 -0.55 0.00 3.58 -0.28 -1.13 116.42 117.33 1q48 h ASP 120 Ca -0.00 -0.40 0.11 0.00 0.42 0.00 0.00 57.03 57.16 1q48 h ASP 120 Cb 0.67 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.63 1q48 h ASP 120 CO 0.00 0.38 -0.17 0.22 -2.88 0.00 0.00 179.24 176.80 1q48 h TYR 121 N -0.50 -0.38 -0.64 0.28 3.20 -1.26 0.69 116.97 118.36 1q48 h TYR 121 Ca -0.01 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 1q48 h TYR 121 Cb 0.45 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1q48 h TYR 121 CO 0.07 -0.26 0.09 0.87 -1.64 0.00 0.00 178.16 177.29 1q48 h LYS 122 N -0.03 1.06 -0.96 1.82 1.57 -1.45 -2.85 116.57 115.74 1q48 h LYS 122 Ca 0.26 -0.28 0.30 0.00 -1.87 0.00 0.00 60.65 59.06 1q48 h LYS 122 Cb 0.43 -0.12 -0.16 0.00 0.08 0.00 0.00 32.23 32.46 1q48 h LYS 122 CO -0.58 0.98 0.34 0.00 -0.57 0.00 0.00 179.45 179.62 1q48 h ALA 123 N 1.10 1.61 -0.73 3.86 0.00 0.47 0.59 119.26 126.16 1q48 h ALA 123 Ca 0.19 0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.46 1q48 h ALA 123 Cb 0.44 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1q48 h ALA 123 CO 0.01 -0.62 0.35 -0.22 0.00 0.00 0.00 179.25 178.77 1q48 h LYS 124 N 0.16 0.55 -0.16 0.00 1.63 -1.31 0.27 116.57 117.71 1q48 h LYS 124 Ca 0.67 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.48 1q48 h LYS 124 Cb 1.52 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 33.02 1q48 h LYS 124 CO -0.72 0.36 0.47 1.96 -3.45 0.00 0.00 179.45 178.08 1q48 h GLN 125 N 0.56 0.00 0.00 1.90 1.08 0.06 -3.44 115.11 115.28 1q48 h GLN 125 Ca 0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1q48 h GLN 125 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1q48 h GLN 125 CO -0.31 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 177.98 1q48 n GLY 126 N -1.34 1.36 2.43 3.46 0.00 0.95 -3.93 105.19 108.12 1q48 n GLY 126 Ca 0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -0.19 0.00 0.99 4.77 -1.25 -4.60 117.00 116.72 1q48 n LEU 127 Ca 0.00 0.19 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 1q48 n LEU 127 Cb 0.16 -2.06 -0.02 0.00 -2.33 0.00 0.00 43.42 39.17 1q48 n LEU 127 CO 0.00 -0.75 -0.10 -0.62 -1.33 0.00 0.00 177.39 174.59 1q48 n GLU 128 N -0.63 -1.08 0.00 3.23 -0.58 -1.25 -4.93 120.64 115.39 1q48 n GLU 128 Ca -0.07 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 1q48 n GLU 128 Cb 0.42 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1q48 n GLU 128 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1q48 n HIS 129 N -2.71 0.00 -1.24 -0.32 -0.00 -1.26 -5.02 115.22 104.67 1q48 n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1q48 n HIS 129 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 1q48 n HIS 129 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1q48 n HIS 130 N 0.00 0.00 -0.80 -1.40 -0.00 -1.26 -5.10 115.22 106.66 1q48 n HIS 130 Ca 0.00 -0.06 -0.33 0.00 -0.00 0.00 0.00 57.72 57.32 1q48 n HIS 130 Cb 0.00 -0.02 0.12 0.00 -0.00 0.00 0.00 29.99 30.09 1q48 n HIS 130 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1q48 n HIS 131 N -0.08 -1.87 -2.68 1.57 8.25 -1.26 -4.98 115.22 114.17 1q48 n HIS 131 Ca 0.01 0.20 -0.05 0.00 -0.26 0.00 0.00 57.72 57.61 1q48 n HIS 131 Cb 0.55 -1.70 0.07 0.00 1.12 0.00 0.00 29.99 30.03 1q48 n HIS 131 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1q48 n HIS 132 N -3.62 -1.04 0.00 4.41 1.44 -1.26 -5.13 115.22 110.02 1q48 n HIS 132 Ca 0.04 -0.90 0.00 0.00 -2.01 0.00 0.00 57.72 54.86 1q48 n HIS 132 Cb 0.56 1.18 0.00 0.00 0.12 0.00 0.00 29.99 31.85 1q48 n HIS 132 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1q48 n HIS 133 N 1.49 0.00 0.00 -1.40 8.25 -1.26 -5.37 115.22 116.93 1q48 n HIS 133 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1q48 n HIS 133 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1q48 n HIS 133 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70