#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gao s PHE 2 N 0.00 3.49 -0.08 0.00 0.40 -1.26 -0.58 117.98 119.95 1gao s PHE 2 Ca 0.00 0.53 0.01 0.00 -0.60 0.00 0.00 56.93 56.87 1gao s PHE 2 Cb 0.00 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.57 1gao s PHE 2 CO 0.00 0.47 -0.11 0.08 0.70 0.00 0.00 175.22 176.37 1gao s VAL 3 N -1.60 1.11 0.06 -0.44 1.01 0.24 -4.58 120.40 116.20 1gao s VAL 3 Ca 0.39 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.72 1gao s VAL 3 Cb -0.12 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 1gao s VAL 3 CO 0.24 0.36 0.68 -0.69 0.00 0.00 0.00 175.10 175.69 1gao s VAL 4 N 1.01 4.71 0.09 2.92 1.01 -1.26 -0.94 120.40 127.95 1gao s VAL 4 Ca -0.08 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1gao s VAL 4 Cb -0.15 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1gao s VAL 4 CO -0.00 0.45 0.02 0.35 0.00 0.00 0.00 175.10 175.91 1gao n THR 5 N 2.34 0.00 -0.31 3.92 -2.24 0.74 -4.87 114.28 113.87 1gao n THR 5 Ca -0.06 -0.41 0.16 0.00 -2.27 0.00 0.00 64.05 61.47 1gao n THR 5 Cb 0.50 -0.06 0.35 0.00 -2.10 0.00 0.00 70.33 69.02 1gao n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1gao h ASP 6 N 0.19 0.27 0.32 3.42 1.82 -1.93 -2.07 116.42 118.44 1gao h ASP 6 Ca -0.07 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1gao h ASP 6 Cb 0.22 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1gao h ASP 6 CO 0.12 -0.09 0.00 -1.13 -1.61 0.00 0.00 179.24 176.53 1gao h ASN 7 N 0.32 0.00 0.91 2.28 -1.24 -1.89 -2.04 115.58 113.92 1gao h ASN 7 Ca 0.61 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.56 1gao h ASN 7 Cb 1.24 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.28 1gao h ASN 7 CO -0.59 0.00 -0.28 0.00 -1.29 0.00 0.00 177.43 175.27 1gao s ILE 9 N -3.63 3.80 -0.77 0.00 1.01 -0.77 -1.23 121.20 119.61 1gao s ILE 9 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1gao s ILE 9 Cb 0.10 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1gao s ILE 9 CO 0.65 -0.09 0.00 0.29 0.00 0.00 0.00 174.94 175.80 1gao n LYS 10 N 6.97 -0.57 -0.00 2.79 5.02 -0.91 -4.84 118.16 126.63 1gao n LYS 10 Ca 0.16 0.73 -0.03 0.00 -2.02 0.00 0.00 58.31 57.16 1gao n LYS 10 Cb 0.43 -4.55 -0.01 0.00 -0.02 0.00 0.00 35.03 30.89 1gao n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gao n LYS 12 N -3.54 -0.64 -0.01 0.00 4.81 -0.37 -0.95 118.16 117.45 1gao n LYS 12 Ca -0.04 0.24 -0.02 0.00 -0.87 0.00 0.00 58.31 57.62 1gao n LYS 12 Cb 0.15 -2.16 0.25 0.00 0.02 0.00 0.00 35.03 33.29 1gao n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1gao h TYR 13 N -1.62 0.58 -1.61 5.64 0.05 -1.92 -3.31 116.97 114.78 1gao h TYR 13 Ca -0.65 -0.08 -0.40 0.00 0.05 0.00 0.00 58.73 57.65 1gao h TYR 13 Cb 1.32 -0.16 -0.11 0.00 1.01 0.00 0.00 36.73 38.79 1gao h TYR 13 CO 0.30 0.61 -0.42 0.25 -1.05 0.00 0.00 178.16 177.86 1gao n THR 14 N -4.23 -0.34 0.03 -2.88 -2.24 -1.26 -4.22 114.28 99.14 1gao n THR 14 Ca 0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 1gao n THR 14 Cb 0.29 -2.24 0.13 0.00 -2.10 0.00 0.00 70.33 66.41 1gao n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1gao h ASP 15 N 0.00 0.48 -0.96 3.42 3.45 -1.90 -3.21 116.42 117.71 1gao h ASP 15 Ca -0.43 -0.23 0.29 0.00 0.43 0.00 0.00 57.03 57.10 1gao h ASP 15 Cb 1.30 -0.14 -0.15 0.00 -0.56 0.00 0.00 39.33 39.79 1gao h ASP 15 CO 0.58 0.87 0.42 0.00 -1.57 0.00 0.00 179.24 179.53 1gao h VAL 17 N 0.25 0.00 0.00 0.00 -1.51 -1.90 -3.07 116.25 110.02 1gao h VAL 17 Ca 0.67 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1gao h VAL 17 Cb 1.48 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 32.03 1gao h VAL 17 CO -0.65 0.00 0.00 -0.33 -1.23 0.00 0.00 177.57 175.36 1gao h GLU 18 N 0.00 0.00 -0.00 5.19 4.39 -1.72 -3.23 114.58 119.21 1gao h GLU 18 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1gao h GLU 18 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1gao h GLU 18 CO 0.00 0.00 -0.70 1.55 -1.16 0.00 0.00 179.01 178.70 1gao n VAL 19 N -2.48 0.00 -2.63 3.13 3.14 -1.16 -4.94 118.33 113.38 1gao n VAL 19 Ca 0.05 -0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 60.85 1gao n VAL 19 Cb 0.44 1.06 -0.02 0.00 -1.06 0.00 0.00 33.84 34.27 1gao n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1gao h PRO 21 N 7.60 0.00 -0.05 0.00 0.13 -1.92 -3.30 132.00 134.47 1gao h PRO 21 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1gao h PRO 21 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1gao h PRO 21 CO 0.99 0.11 0.00 1.33 -0.23 0.00 0.00 178.00 180.20 1gao n VAL 22 N -3.33 0.44 -3.84 1.56 0.24 -1.26 -5.04 118.33 107.11 1gao n VAL 22 Ca -0.00 -0.72 -0.24 0.00 -2.04 0.00 0.00 64.34 61.33 1gao n VAL 22 Cb 0.32 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1gao n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1gao n ASP 23 N 0.00 -1.01 -1.94 -1.34 10.43 -1.24 -4.90 116.55 116.55 1gao n ASP 23 Ca 0.02 -0.94 -0.13 0.00 2.57 0.00 0.00 54.79 56.31 1gao n ASP 23 Cb 0.18 -3.46 0.20 0.00 1.84 0.00 0.00 41.12 39.88 1gao n ASP 23 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1gao s PHE 25 N -2.70 3.21 -0.09 0.00 0.40 -1.26 -0.69 117.98 116.85 1gao s PHE 25 Ca 0.47 0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.85 1gao s PHE 25 Cb 0.39 -2.04 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 1gao s PHE 25 CO 0.10 0.13 -0.20 0.71 0.70 0.00 0.00 175.22 176.66 1gao s TYR 26 N 0.31 2.60 -0.40 0.36 2.02 0.02 -0.88 117.35 121.38 1gao s TYR 26 Ca 0.02 -0.71 -0.19 0.00 -0.37 0.00 0.00 57.07 55.82 1gao s TYR 26 Cb -0.13 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 1gao s TYR 26 CO 0.01 -0.21 0.55 -2.00 -1.57 0.00 0.00 175.55 172.32 1gao s GLU 27 N 0.02 3.38 0.47 -0.62 2.12 -0.09 -1.42 118.70 122.56 1gao s GLU 27 Ca -0.07 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 54.91 1gao s GLU 27 Cb -0.15 -3.90 0.01 0.00 0.26 0.00 0.00 34.13 30.36 1gao s GLU 27 CO 0.05 -0.83 0.68 0.20 -0.54 0.00 0.00 175.26 174.82 1gao s GLY 28 N 1.86 1.71 0.28 -1.50 0.00 0.13 -4.17 107.32 105.63 1gao s GLY 28 Ca 0.19 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.66 1gao s GLY 28 CO 0.15 -1.06 1.79 -2.55 0.00 0.00 0.00 173.10 171.44 1gao h PRO 29 N 0.35 0.76 0.00 2.90 0.11 -1.86 -3.24 132.00 131.02 1gao h PRO 29 Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1gao h PRO 29 Cb 1.27 -0.17 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 1gao h PRO 29 CO 0.54 0.50 -0.61 0.27 -0.21 0.00 0.00 178.00 178.49 1gao n ASN 30 N -4.76 0.91 -3.57 -2.05 0.23 -1.26 -5.05 115.26 99.72 1gao n ASN 30 Ca 0.19 -2.41 -0.11 0.00 -0.53 0.00 0.00 54.58 51.72 1gao n ASN 30 Cb 0.44 -0.31 -0.02 0.00 -2.08 0.00 0.00 39.78 37.80 1gao n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1gao s PHE 31 N -0.85 -0.38 -0.01 -2.53 5.99 -1.22 -2.13 117.98 116.84 1gao s PHE 31 Ca 0.21 0.10 0.03 0.00 0.00 0.00 0.00 56.93 57.27 1gao s PHE 31 Cb 0.22 0.53 -0.01 0.00 0.00 0.00 0.00 43.02 43.77 1gao s PHE 31 CO -0.06 -0.92 -0.11 -0.51 -0.00 0.00 0.00 175.22 173.62 1gao s LEU 32 N -2.80 2.03 0.23 6.12 1.02 -1.26 -0.69 118.68 123.32 1gao s LEU 32 Ca 0.04 -0.21 0.09 0.00 0.02 0.00 0.00 54.13 54.08 1gao s LEU 32 Cb -0.02 -0.56 -0.05 0.00 0.02 0.00 0.00 46.19 45.59 1gao s LEU 32 CO -0.08 0.13 -0.17 0.68 0.02 0.00 0.00 176.35 176.93 1gao s VAL 33 N -0.29 2.04 -0.23 -1.59 -7.23 -0.51 -4.70 120.40 107.89 1gao s VAL 33 Ca 0.04 -2.26 -0.07 0.00 -1.81 0.00 0.00 61.98 57.89 1gao s VAL 33 Cb -0.04 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1gao s VAL 33 CO -0.00 -0.49 0.04 -0.63 -0.31 0.00 0.00 175.10 173.72 1gao s ILE 34 N -2.68 4.19 -0.13 -0.62 1.01 -1.26 -0.80 121.20 120.90 1gao s ILE 34 Ca 0.25 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 1gao s ILE 34 Cb -0.03 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 1gao s ILE 34 CO 0.10 0.37 1.74 -2.28 0.00 0.00 0.00 174.94 174.88 1gao s HIS 35 N 1.37 1.85 0.32 3.97 5.65 0.14 -4.60 115.29 123.98 1gao s HIS 35 Ca 0.05 0.30 0.20 0.00 0.25 0.00 0.00 55.06 55.86 1gao s HIS 35 Cb -0.15 -3.99 0.99 0.00 -1.18 0.00 0.00 32.58 28.25 1gao s HIS 35 CO 0.02 -3.70 1.89 -1.00 -0.65 0.00 0.00 174.74 171.31 1gao h PRO 36 N 10.82 0.00 0.04 2.88 0.13 -1.88 -0.95 132.00 143.03 1gao h PRO 36 Ca -0.38 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.53 1gao h PRO 36 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1gao h PRO 36 CO 0.97 0.27 -1.01 -0.44 -0.23 0.00 0.00 178.00 177.56 1gao h ASP 37 N 0.00 0.22 0.46 1.44 3.32 -1.99 -3.35 116.42 116.52 1gao h ASP 37 Ca -0.00 -0.21 -0.30 0.00 0.02 0.00 0.00 57.03 56.53 1gao h ASP 37 Cb 0.60 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1gao h ASP 37 CO 0.03 1.09 -1.63 -0.33 -1.72 0.00 0.00 179.24 176.69 1gao h GLU 38 N 0.07 0.14 -6.61 3.56 5.08 -1.79 -3.46 114.58 111.57 1gao h GLU 38 Ca -0.06 -0.24 -0.52 0.00 -1.00 0.00 0.00 59.36 57.54 1gao h GLU 38 Cb 1.70 0.09 0.05 0.00 0.50 0.00 0.00 28.75 31.09 1gao h GLU 38 CO 0.15 0.91 0.97 0.00 -1.00 0.00 0.00 179.01 180.03 1gao n ILE 40 N 4.10 2.71 -2.33 0.00 -5.35 -1.26 -4.70 119.36 112.54 1gao n ILE 40 Ca 0.15 -1.82 -0.11 0.00 -0.27 0.00 0.00 62.75 60.70 1gao n ILE 40 Cb 0.37 -0.32 -0.01 0.00 -1.74 0.00 0.00 39.64 37.94 1gao n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1gao n ASP 41 N -0.29 -3.62 0.22 7.28 10.43 -1.26 -4.89 116.55 124.42 1gao n ASP 41 Ca 0.34 0.22 0.09 0.00 2.57 0.00 0.00 54.79 58.01 1gao n ASP 41 Cb 1.20 -3.12 0.46 0.00 1.84 0.00 0.00 41.12 41.50 1gao n ASP 41 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1gao n ALA 43 N -2.27 -0.23 -0.05 0.00 0.00 -1.26 -4.91 120.51 111.79 1gao n ALA 43 Ca -0.00 0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.74 1gao n ALA 43 Cb 0.42 -1.72 0.43 0.00 0.00 0.00 0.00 19.45 18.59 1gao n ALA 43 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1gao h SER 44 N 0.00 0.48 0.19 0.00 0.02 -1.91 -2.87 113.55 109.46 1gao h SER 44 Ca -0.31 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.45 1gao h SER 44 Cb 1.08 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1gao h SER 44 CO 0.46 0.33 -0.68 0.00 -1.14 0.00 0.00 176.83 175.80 1gao h GLU 46 N 0.32 0.01 -0.26 0.00 4.81 -1.85 -0.95 114.58 116.65 1gao h GLU 46 Ca -0.02 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1gao h GLU 46 Cb 1.25 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1gao h GLU 46 CO 0.12 0.00 0.18 -1.35 -0.73 0.00 0.00 179.01 177.24 1gao h PRO 47 N 0.01 0.15 0.00 0.92 0.11 -1.76 -3.08 132.00 128.35 1gao h PRO 47 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1gao h PRO 47 Cb 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1gao h PRO 47 CO -0.23 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 178.05 1gao n GLU 48 N -4.49 0.19 -2.92 1.05 -0.58 -0.37 -4.70 120.64 108.83 1gao n GLU 48 Ca 0.02 0.09 -0.43 0.00 -0.42 0.00 0.00 57.16 56.43 1gao n GLU 48 Cb 0.23 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.55 1gao n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gao h PRO 50 N 9.02 0.62 0.00 0.00 0.11 -1.91 -0.13 132.00 139.71 1gao h PRO 50 Ca -0.25 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1gao h PRO 50 Cb 1.08 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1gao h PRO 50 CO 0.98 0.41 -0.06 0.00 -0.21 0.00 0.00 178.00 179.12 1gao h ALA 51 N 1.61 1.06 -6.39 -0.75 0.00 -1.90 -3.46 119.26 109.42 1gao h ALA 51 Ca 0.41 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.79 1gao h ALA 51 Cb 0.68 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1gao h ALA 51 CO -0.17 0.07 -0.84 1.04 0.00 0.00 0.00 179.25 179.35 1gao n GLN 52 N -3.24 -4.10 -0.00 0.00 1.13 -0.06 -4.86 117.38 106.25 1gao n GLN 52 Ca -0.01 0.49 0.10 0.00 -1.94 0.00 0.00 57.00 55.64 1gao n GLN 52 Cb 0.27 -4.95 -0.12 0.00 0.11 0.00 0.00 30.24 25.55 1gao n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1gao n ALA 53 N -4.42 4.29 -2.34 -1.58 0.00 -1.26 -4.93 120.51 110.27 1gao n ALA 53 Ca -0.19 -0.55 -0.40 0.00 0.00 0.00 0.00 53.44 52.30 1gao n ALA 53 Cb 0.63 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 1gao n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gao s ILE 54 N -2.97 4.69 -0.03 0.00 1.01 -1.26 -0.18 121.20 122.46 1gao s ILE 54 Ca 0.05 1.59 -0.05 0.00 0.00 0.00 0.00 60.65 62.24 1gao s ILE 54 Cb 0.15 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1gao s ILE 54 CO 0.82 0.40 0.12 -0.36 0.00 0.00 0.00 174.94 175.92 1gao s PHE 55 N -0.28 -0.05 0.29 3.97 0.40 -0.11 -4.89 117.98 117.30 1gao s PHE 55 Ca 0.37 0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 56.53 1gao s PHE 55 Cb -0.21 -0.00 -0.13 0.00 0.51 0.00 0.00 43.02 43.20 1gao s PHE 55 CO 0.23 -0.15 1.38 0.45 0.70 0.00 0.00 175.22 177.83 1gao n SER 56 N 2.42 2.87 -0.31 1.36 2.88 -1.26 -0.59 113.62 120.99 1gao n SER 56 Ca -0.16 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 58.72 1gao n SER 56 Cb 0.58 -1.47 0.44 0.00 -0.75 0.00 0.00 64.21 63.01 1gao n SER 56 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1gao h GLU 57 N 3.62 0.53 0.00 -1.46 4.81 -1.18 0.16 114.58 121.06 1gao h GLU 57 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1gao h GLU 57 Cb 1.27 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1gao h GLU 57 CO 0.71 0.35 0.00 0.38 -0.73 0.00 0.00 179.01 179.72 1gao h ASP 58 N 0.55 0.00 -0.29 1.04 2.03 -1.89 -3.24 116.42 114.61 1gao h ASP 58 Ca 0.54 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.81 1gao h ASP 58 Cb 1.14 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.62 1gao h ASP 58 CO -0.28 0.00 0.00 -1.84 -1.03 0.00 0.00 179.24 176.09 1gao n GLU 59 N -2.46 2.80 -2.28 4.15 0.28 0.51 -4.97 120.64 118.67 1gao n GLU 59 Ca 0.04 -2.90 -0.42 0.00 -0.16 0.00 0.00 57.16 53.72 1gao n GLU 59 Cb 0.38 -1.86 -0.03 0.00 1.43 0.00 0.00 31.44 31.36 1gao n GLU 59 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1gao s VAL 60 N -2.89 3.76 0.40 3.84 1.01 -0.93 -4.78 120.40 120.81 1gao s VAL 60 Ca 0.43 1.20 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 1gao s VAL 60 Cb 0.35 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.84 1gao s VAL 60 CO 0.08 0.04 0.75 -2.65 0.00 0.00 0.00 175.10 173.32 1gao n PRO 61 N 4.72 0.87 -0.35 2.72 -0.02 -1.26 -4.82 135.00 136.87 1gao n PRO 61 Ca 0.12 0.31 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 1gao n PRO 61 Cb 0.44 -1.70 0.27 0.00 -0.02 0.00 0.00 33.50 32.50 1gao n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gao h GLU 62 N 1.16 0.80 -0.02 -0.52 4.22 -1.99 -0.68 114.58 117.55 1gao h GLU 62 Ca -0.41 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1gao h GLU 62 Cb 1.37 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1gao h GLU 62 CO 0.54 0.53 0.00 -0.40 -2.18 0.00 0.00 179.01 177.50 1gao n ASP 63 N -4.73 0.40 -0.09 1.04 5.75 -1.26 -3.61 116.55 114.05 1gao n ASP 63 Ca 0.21 -1.29 0.08 0.00 -0.01 0.00 0.00 54.79 53.78 1gao n ASP 63 Cb 0.47 -0.01 0.11 0.00 -1.03 0.00 0.00 41.12 40.65 1gao n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1gao n MET 64 N -0.61 1.42 0.18 0.11 2.81 -0.27 -4.80 117.12 115.95 1gao n MET 64 Ca 0.19 -2.28 0.18 0.00 -1.81 0.00 0.00 57.70 53.98 1gao n MET 64 Cb 0.16 -1.34 0.81 0.00 -0.71 0.00 0.00 33.22 32.14 1gao n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1gao h GLN 65 N 0.00 0.00 -0.42 0.03 1.08 -1.60 -1.58 115.11 112.62 1gao h GLN 65 Ca 0.00 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 1gao h GLN 65 Cb 0.96 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 1gao h GLN 65 CO 0.00 0.00 0.29 0.93 -0.95 0.00 0.00 178.83 179.10 1gao h GLU 66 N 0.00 0.25 0.00 1.46 3.07 -1.90 -2.78 114.58 114.68 1gao h GLU 66 Ca 0.11 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1gao h GLU 66 Cb 0.65 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1gao h GLU 66 CO -0.00 0.16 -0.10 0.74 -1.40 0.00 0.00 179.01 178.41 1gao h PHE 67 N 0.26 0.00 0.66 4.33 0.04 -1.64 -1.43 116.94 119.16 1gao h PHE 67 Ca 0.19 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1gao h PHE 67 Cb 0.42 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.58 1gao h PHE 67 CO -0.00 0.10 -0.32 0.82 -0.60 0.00 0.00 178.31 178.31 1gao h ILE 68 N 0.00 0.33 -0.70 -0.55 2.04 -1.70 0.54 117.51 117.47 1gao h ILE 68 Ca -0.00 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1gao h ILE 68 Cb 0.32 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1gao h ILE 68 CO 0.01 0.01 0.25 -0.61 0.00 0.00 0.00 178.15 177.81 1gao h GLN 69 N -0.93 1.07 -0.62 2.37 4.15 -1.68 -2.31 115.11 117.16 1gao h GLN 69 Ca -0.09 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1gao h GLN 69 Cb 0.69 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1gao h GLN 69 CO 0.15 0.91 0.40 -0.07 -1.93 0.00 0.00 178.83 178.29 1gao h LEU 70 N 1.02 0.72 -0.53 -2.39 3.38 -1.08 -0.42 115.31 116.01 1gao h LEU 70 Ca 0.23 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1gao h LEU 70 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1gao h LEU 70 CO -0.01 0.53 0.05 0.78 0.09 0.00 0.00 178.44 179.88 1gao h ASN 71 N 0.84 0.87 -0.42 -0.43 2.35 -0.53 -1.30 115.58 116.95 1gao h ASN 71 Ca 0.23 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1gao h ASN 71 Cb -0.08 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 1gao h ASN 71 CO -0.05 0.93 0.24 0.00 -1.65 0.00 0.00 177.43 176.90 1gao h ALA 72 N 0.97 0.54 -0.14 -0.83 0.00 -0.81 -1.45 119.26 117.53 1gao h ALA 72 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1gao h ALA 72 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gao h ALA 72 CO 0.02 0.05 -0.15 0.93 0.00 0.00 0.00 179.25 180.10 1gao h GLU 73 N 0.55 0.35 0.00 0.00 4.39 -0.90 -3.20 114.58 115.77 1gao h GLU 73 Ca 0.15 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1gao h GLU 73 Cb 0.03 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1gao h GLU 73 CO -0.03 0.74 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.33 1gao h LEU 74 N -0.02 0.00 -1.07 1.33 3.38 -1.25 -2.74 115.31 114.94 1gao h LEU 74 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1gao h LEU 74 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1gao h LEU 74 CO 0.04 0.16 -0.30 0.00 0.09 0.00 0.00 178.44 178.43 1gao h ALA 75 N 1.84 1.03 0.00 1.53 0.00 -1.29 -0.83 119.26 121.53 1gao h ALA 75 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1gao h ALA 75 Cb 0.91 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1gao h ALA 75 CO 0.02 0.37 -0.14 0.93 0.00 0.00 0.00 179.25 180.44 1gao h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.48 -3.39 114.58 114.11 1gao h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1gao h GLU 76 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1gao h GLU 76 CO 0.04 0.14 -0.88 1.33 -1.16 0.00 0.00 179.01 178.48 1gao n VAL 77 N -3.21 0.00 -3.29 3.13 0.24 -1.02 -5.04 118.33 109.14 1gao n VAL 77 Ca 0.01 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.34 61.79 1gao n VAL 77 Cb 0.45 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 1gao n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1gao s TRP 78 N -1.99 3.55 0.90 6.34 0.51 -0.35 -5.09 118.94 122.81 1gao s TRP 78 Ca -0.01 1.11 -0.11 0.00 -2.12 0.00 0.00 56.10 54.97 1gao s TRP 78 Cb 0.02 -2.42 0.13 0.00 -0.81 0.00 0.00 33.47 30.40 1gao s TRP 78 CO 0.15 0.34 1.10 -1.25 -0.51 0.00 0.00 176.95 176.78 1gao s PRO 79 N -2.24 1.22 0.09 4.98 0.04 -1.26 -4.62 135.00 133.21 1gao s PRO 79 Ca 0.42 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.34 1gao s PRO 79 Cb -0.14 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1gao s PRO 79 CO 0.20 -2.35 0.81 1.21 0.04 0.00 0.00 177.00 176.91 1gao s ASN 80 N -3.10 7.32 -0.23 6.66 3.04 -1.26 -0.92 114.94 126.46 1gao s ASN 80 Ca 0.64 1.57 -0.01 0.00 0.04 0.00 0.00 52.86 55.11 1gao s ASN 80 Cb -0.20 -2.50 0.02 0.00 -1.54 0.00 0.00 41.25 37.03 1gao s ASN 80 CO 0.58 0.04 -0.10 -0.51 -3.04 0.00 0.00 177.10 174.07 1gao s ILE 81 N -0.29 2.66 -0.09 -5.21 2.07 -0.06 -4.83 121.20 115.44 1gao s ILE 81 Ca 0.40 -1.01 0.09 0.00 -1.41 0.00 0.00 60.65 58.72 1gao s ILE 81 Cb -0.22 -2.30 -0.13 0.00 0.13 0.00 0.00 42.46 39.94 1gao s ILE 81 CO 0.25 0.28 0.05 0.35 -1.91 0.00 0.00 174.94 173.97 1gao n THR 82 N 4.65 0.63 -3.92 4.00 -2.24 -1.26 -4.42 114.28 111.72 1gao n THR 82 Ca -0.17 -0.41 -0.34 0.00 -2.27 0.00 0.00 64.05 60.85 1gao n THR 82 Cb 0.48 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.00 1gao n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1gao s GLU 83 N -2.29 3.41 0.24 -0.78 2.02 -1.26 -4.57 118.70 115.47 1gao s GLU 83 Ca -0.05 -0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.37 1gao s GLU 83 Cb 0.03 -3.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.07 1gao s GLU 83 CO 0.42 0.70 1.18 0.21 0.02 0.00 0.00 175.26 177.79 1gao s LYS 84 N -1.65 4.52 0.41 1.61 2.20 -1.26 -4.96 119.74 120.61 1gao s LYS 84 Ca 0.23 1.90 0.01 0.00 -0.36 0.00 0.00 55.97 57.75 1gao s LYS 84 Cb -0.12 -3.20 -0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1gao s LYS 84 CO 0.14 -0.00 0.04 0.36 -0.36 0.00 0.00 175.35 175.53 1gao n LYS 85 N 1.83 0.83 -2.79 4.03 2.85 -1.26 -5.11 118.16 118.54 1gao n LYS 85 Ca 0.02 -3.13 -0.35 0.00 -1.05 0.00 0.00 58.31 53.81 1gao n LYS 85 Cb 0.44 1.12 -0.07 0.00 -0.65 0.00 0.00 35.03 35.88 1gao n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1gao s ASP 86 N -3.33 7.07 1.18 -5.58 1.11 -1.26 -4.76 116.67 111.09 1gao s ASP 86 Ca 0.06 1.76 -0.13 0.00 0.18 0.00 0.00 52.55 54.43 1gao s ASP 86 Cb 0.00 -2.56 0.29 0.00 1.07 0.00 0.00 42.92 41.73 1gao s ASP 86 CO 0.04 -0.26 1.03 -2.84 1.18 0.00 0.00 175.17 174.32 1gao s PRO 87 N -2.73 -1.03 0.48 8.23 0.02 -1.26 -4.93 135.00 133.78 1gao s PRO 87 Ca 0.57 0.91 -0.22 0.00 0.02 0.00 0.00 61.00 62.29 1gao s PRO 87 Cb -0.13 -1.53 -0.07 0.00 0.02 0.00 0.00 34.50 32.78 1gao s PRO 87 CO 0.18 -3.82 1.16 -0.51 -0.33 0.00 0.00 177.00 173.68 1gao s LEU 88 N -7.29 3.94 0.31 -5.54 1.43 -0.13 -4.89 118.68 106.51 1gao s LEU 88 Ca 0.69 2.29 0.08 0.00 -1.03 0.00 0.00 54.13 56.16 1gao s LEU 88 Cb -0.26 -4.33 0.85 0.00 0.03 0.00 0.00 46.19 42.48 1gao s LEU 88 CO 0.65 -1.01 1.73 -0.65 0.23 0.00 0.00 176.35 177.30 1gao h PRO 89 N 1.81 0.56 -0.43 1.29 0.11 -1.89 0.14 132.00 133.59 1gao h PRO 89 Ca -0.50 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.29 1gao h PRO 89 Cb 1.25 -0.13 -0.20 0.00 0.11 0.00 0.00 31.00 32.04 1gao h PRO 89 CO 0.59 0.37 -0.35 -0.25 -0.21 0.00 0.00 178.00 178.15 1gao n ASP 90 N -4.90 3.43 -0.26 -2.05 8.00 -1.26 -4.86 116.55 114.66 1gao n ASP 90 Ca 0.26 -3.81 0.03 0.00 0.71 0.00 0.00 54.79 51.97 1gao n ASP 90 Cb 0.72 -0.54 0.16 0.00 -0.02 0.00 0.00 41.12 41.43 1gao n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gao h ALA 91 N 1.45 1.05 0.00 2.24 0.00 -0.87 -2.77 119.26 120.35 1gao h ALA 91 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1gao h ALA 91 Cb 1.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1gao h ALA 91 CO 0.50 -0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.83 1gao n GLU 92 N -4.88 0.21 -0.01 0.00 0.28 -1.26 -1.62 120.64 113.37 1gao n GLU 92 Ca 0.12 0.36 -0.19 0.00 -0.16 0.00 0.00 57.16 57.29 1gao n GLU 92 Cb 0.32 -1.84 -0.14 0.00 1.43 0.00 0.00 31.44 31.20 1gao n GLU 92 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1gao h ASP 93 N 0.00 0.27 0.40 -1.84 5.19 -1.89 -3.34 116.42 115.21 1gao h ASP 93 Ca 0.00 -0.91 -0.03 0.00 -0.62 0.00 0.00 57.03 55.47 1gao h ASP 93 Cb 0.47 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 1gao h ASP 93 CO 0.00 1.33 -0.14 -0.50 -3.12 0.00 0.00 179.24 176.81 1gao h TRP 94 N -0.60 0.00 -2.19 4.55 4.06 -1.38 -3.42 115.95 116.97 1gao h TRP 94 Ca -0.15 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.24 1gao h TRP 94 Cb 1.44 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.62 1gao h TRP 94 CO 0.20 0.14 1.33 -3.47 -3.56 0.00 0.00 178.44 173.08 1gao n ASP 95 N -3.68 3.80 0.00 -3.49 4.64 -0.64 -1.08 116.55 116.11 1gao n ASP 95 Ca -0.02 0.65 0.00 0.00 -1.38 0.00 0.00 54.79 54.04 1gao n ASP 95 Cb 0.26 -1.53 0.00 0.00 -1.04 0.00 0.00 41.12 38.81 1gao n ASP 95 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1gao n GLY 96 N 5.01 0.35 3.68 0.27 0.00 -1.26 -5.02 105.19 108.22 1gao n GLY 96 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1gao n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gao s VAL 97 N -2.10 3.88 0.68 1.61 1.01 -0.24 -5.00 120.40 120.25 1gao s VAL 97 Ca 0.00 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.09 1gao s VAL 97 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1gao s VAL 97 CO 0.00 -0.02 1.06 -0.54 0.00 0.00 0.00 175.10 175.59 1gao s LYS 98 N 2.62 3.03 -1.47 2.72 1.02 -1.26 -4.40 119.74 121.99 1gao s LYS 98 Ca 0.62 0.86 -0.11 0.00 0.02 0.00 0.00 55.97 57.35 1gao s LYS 98 Cb -0.29 -2.01 0.06 0.00 -0.52 0.00 0.00 37.83 35.07 1gao s LYS 98 CO 0.24 -1.00 0.92 0.41 -0.92 0.00 0.00 175.35 175.00 1gao n GLY 99 N -2.24 -0.51 0.00 -3.33 0.00 -1.26 -4.90 105.19 92.94 1gao n GLY 99 Ca 0.07 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.37 1gao n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gao n LYS 100 N -4.56 0.41 -0.33 1.61 5.02 -1.26 -3.70 118.16 115.34 1gao n LYS 100 Ca 0.01 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 1gao n LYS 100 Cb 0.55 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.30 1gao n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1gao h LEU 101 N 0.00 0.77 -1.96 -0.35 5.85 -1.90 -0.16 115.31 117.55 1gao h LEU 101 Ca 0.00 0.07 0.21 0.00 0.84 0.00 0.00 57.88 59.00 1gao h LEU 101 Cb 0.11 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1gao h LEU 101 CO 0.00 0.37 0.53 0.06 -0.34 0.00 0.00 178.44 179.07 1gao h GLN 102 N 0.83 0.03 -0.69 1.25 3.07 -1.99 -1.32 115.11 116.30 1gao h GLN 102 Ca 0.49 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.23 1gao h GLN 102 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.14 1gao h GLN 102 CO -0.31 0.02 0.00 0.72 0.09 0.00 0.00 178.83 179.35 1gao n HIS 103 N -4.33 1.21 -2.03 0.06 8.25 -0.08 -4.97 115.22 113.34 1gao n HIS 103 Ca 0.15 -0.53 -0.42 0.00 -0.26 0.00 0.00 57.72 56.66 1gao n HIS 103 Cb 0.80 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.76 1gao n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1gao s LEU 104 N -1.39 4.36 -0.25 2.41 2.96 -0.50 -4.98 118.68 121.30 1gao s LEU 104 Ca 0.49 2.42 -0.10 0.00 -0.22 0.00 0.00 54.13 56.71 1gao s LEU 104 Cb 0.29 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.35 1gao s LEU 104 CO 0.29 -0.80 0.16 -1.61 -1.32 0.00 0.00 176.35 173.07 1gao s GLU 105 N 1.98 4.03 0.00 1.98 2.02 -1.26 -5.11 118.70 122.34 1gao s GLU 105 Ca 0.69 -0.29 0.14 0.00 0.02 0.00 0.00 54.97 55.54 1gao s GLU 105 Cb -0.39 -3.55 0.86 0.00 0.10 0.00 0.00 34.13 31.15 1gao s GLU 105 CO 0.31 0.01 1.28 -2.13 0.02 0.00 0.00 175.26 174.74