#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g6b s PHE 2 N 0.00 3.49 -0.06 0.00 0.40 -1.26 -1.51 117.98 119.04 1g6b s PHE 2 Ca 0.00 0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.81 1g6b s PHE 2 Cb 0.00 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.58 1g6b s PHE 2 CO 0.00 0.19 -0.14 0.08 0.70 0.00 0.00 175.22 176.05 1g6b s VAL 3 N -2.15 1.24 -0.08 -0.44 1.01 0.81 -4.68 120.40 116.11 1g6b s VAL 3 Ca 0.41 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 1g6b s VAL 3 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1g6b s VAL 3 CO 0.33 0.37 0.63 -0.69 0.00 0.00 0.00 175.10 175.74 1g6b s VAL 4 N 0.48 5.08 0.00 2.92 1.01 -1.26 -1.42 120.40 127.21 1g6b s VAL 4 Ca -0.12 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1g6b s VAL 4 Cb -0.15 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1g6b s VAL 4 CO 0.04 0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.77 1g6b n THR 5 N 3.69 0.00 -0.23 3.92 -2.24 0.02 -4.88 114.28 114.55 1g6b n THR 5 Ca -0.03 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1g6b n THR 5 Cb 0.51 -0.43 0.14 0.00 -2.10 0.00 0.00 70.33 68.45 1g6b n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1g6b h ASP 6 N 0.00 -0.25 0.31 3.42 1.82 -1.95 -3.11 116.42 116.66 1g6b h ASP 6 Ca 0.00 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1g6b h ASP 6 Cb 0.00 0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.29 1g6b h ASP 6 CO 0.00 -0.12 0.00 -1.13 -1.61 0.00 0.00 179.24 176.38 1g6b h ASN 7 N 0.14 0.00 -0.44 2.28 -1.24 -1.88 -1.52 115.58 112.92 1g6b h ASN 7 Ca 0.38 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.34 1g6b h ASN 7 Cb 0.64 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 1g6b h ASN 7 CO -0.58 0.00 0.14 0.00 -1.29 0.00 0.00 177.43 175.70 1g6b n ILE 9 N -4.30 0.08 -1.06 0.00 5.41 -0.57 -1.11 119.36 117.80 1g6b n ILE 9 Ca 0.04 -0.01 -0.02 0.00 1.00 0.00 0.00 62.75 63.75 1g6b n ILE 9 Cb 0.20 -1.74 -0.01 0.00 -0.71 0.00 0.00 39.64 37.38 1g6b n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1g6b n LYS 10 N 4.03 -1.45 0.00 0.38 5.02 -0.31 -4.78 118.16 121.06 1g6b n LYS 10 Ca 0.17 0.46 -0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1g6b n LYS 10 Cb 0.31 -4.59 -0.00 0.00 -0.02 0.00 0.00 35.03 30.74 1g6b n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g6b n LYS 12 N -2.54 -1.25 0.16 0.00 4.81 -0.27 -2.30 118.16 116.77 1g6b n LYS 12 Ca -0.00 0.40 0.04 0.00 -0.87 0.00 0.00 58.31 57.88 1g6b n LYS 12 Cb 0.00 -3.94 0.45 0.00 0.02 0.00 0.00 35.03 31.56 1g6b n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1g6b h TYR 13 N -1.99 0.15 -0.56 5.64 0.05 -1.90 -3.34 116.97 115.02 1g6b h TYR 13 Ca -0.67 -0.01 -0.24 0.00 0.05 0.00 0.00 58.73 57.86 1g6b h TYR 13 Cb 1.37 -0.04 -0.10 0.00 1.01 0.00 0.00 36.73 38.97 1g6b h TYR 13 CO 0.35 0.27 -0.22 0.25 -1.05 0.00 0.00 178.16 177.77 1g6b n THR 14 N -4.32 0.00 0.18 -2.88 -2.24 -1.26 -4.04 114.28 99.72 1g6b n THR 14 Ca -0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1g6b n THR 14 Cb 0.24 -1.56 0.50 0.00 -2.10 0.00 0.00 70.33 67.41 1g6b n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1g6b h ASP 15 N 0.00 0.11 -0.84 3.42 5.19 -1.89 -2.80 116.42 119.61 1g6b h ASP 15 Ca -0.24 -0.01 0.12 0.00 -0.62 0.00 0.00 57.03 56.28 1g6b h ASP 15 Cb 1.20 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.62 1g6b h ASP 15 CO 0.35 0.20 0.55 0.00 -3.12 0.00 0.00 179.24 177.22 1g6b h VAL 17 N 0.69 1.23 -0.81 0.00 -1.51 -1.87 -3.19 116.25 110.79 1g6b h VAL 17 Ca 0.41 -1.08 0.13 0.00 -1.23 0.00 0.00 66.70 64.93 1g6b h VAL 17 Cb 0.61 1.52 -0.06 0.00 -2.13 0.00 0.00 31.29 31.24 1g6b h VAL 17 CO -0.17 0.31 0.53 -0.33 -1.23 0.00 0.00 177.57 176.68 1g6b h GLU 18 N 0.07 0.58 -0.01 5.19 3.07 -1.65 -2.63 114.58 119.20 1g6b h GLU 18 Ca 0.01 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1g6b h GLU 18 Cb 0.55 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1g6b h GLU 18 CO 0.04 0.38 -0.58 1.55 -1.40 0.00 0.00 179.01 179.01 1g6b n VAL 19 N -4.51 0.00 -2.41 3.13 3.14 -1.21 -4.92 118.33 111.55 1g6b n VAL 19 Ca 0.15 -0.10 -0.43 0.00 -2.96 0.00 0.00 64.34 61.01 1g6b n VAL 19 Cb 0.45 0.75 -0.02 0.00 -1.06 0.00 0.00 33.84 33.95 1g6b n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1g6b h PRO 21 N 8.73 0.00 -0.23 0.00 0.13 -1.91 -3.26 132.00 135.46 1g6b h PRO 21 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1g6b h PRO 21 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1g6b h PRO 21 CO 1.00 0.25 0.00 1.33 -0.23 0.00 0.00 178.00 180.35 1g6b n VAL 22 N -3.35 0.66 -3.77 1.56 0.24 -1.26 -5.01 118.33 107.39 1g6b n VAL 22 Ca 0.01 -0.83 -0.34 0.00 -2.04 0.00 0.00 64.34 61.14 1g6b n VAL 22 Cb 0.47 0.75 0.03 0.00 -1.47 0.00 0.00 33.84 33.62 1g6b n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1g6b n ASP 23 N 0.52 -4.64 -1.79 -1.34 10.43 -1.23 -4.93 116.55 113.56 1g6b n ASP 23 Ca 0.10 -1.07 -0.15 0.00 2.57 0.00 0.00 54.79 56.24 1g6b n ASP 23 Cb 0.37 -3.06 0.20 0.00 1.84 0.00 0.00 41.12 40.47 1g6b n ASP 23 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1g6b s PHE 25 N -3.26 3.52 -0.01 0.00 0.40 -1.26 -0.99 117.98 116.38 1g6b s PHE 25 Ca 0.52 0.46 0.06 0.00 -0.60 0.00 0.00 56.93 57.37 1g6b s PHE 25 Cb 0.45 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 1g6b s PHE 25 CO 0.07 0.67 -0.19 0.71 0.70 0.00 0.00 175.22 177.17 1g6b s TYR 26 N -0.92 1.71 -0.19 0.36 2.02 -0.42 -1.61 117.35 118.30 1g6b s TYR 26 Ca 0.14 -0.33 -0.08 0.00 -0.37 0.00 0.00 57.07 56.44 1g6b s TYR 26 Cb -0.12 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 1g6b s TYR 26 CO 0.03 -0.02 0.07 -2.00 -1.57 0.00 0.00 175.55 172.07 1g6b s GLU 27 N -0.53 3.97 0.50 -0.62 2.12 0.84 -1.41 118.70 123.58 1g6b s GLU 27 Ca 0.07 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.10 1g6b s GLU 27 Cb -0.07 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.05 1g6b s GLU 27 CO -0.00 0.22 0.20 0.20 -0.54 0.00 0.00 175.26 175.33 1g6b s GLY 28 N 0.54 2.62 0.25 -1.50 0.00 -0.31 -3.86 107.32 105.06 1g6b s GLY 28 Ca 0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 1g6b s GLY 28 CO 0.01 -2.04 1.74 -2.55 0.00 0.00 0.00 173.10 170.26 1g6b h PRO 29 N 1.12 0.49 0.00 2.90 0.11 -1.87 -3.29 132.00 131.47 1g6b h PRO 29 Ca -0.41 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1g6b h PRO 29 Cb 1.30 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1g6b h PRO 29 CO 0.67 0.32 -0.70 0.27 -0.21 0.00 0.00 178.00 178.35 1g6b n ASN 30 N -4.95 0.38 -3.56 -2.05 0.23 -1.26 -5.05 115.26 99.00 1g6b n ASN 30 Ca 0.14 -2.01 -0.15 0.00 -0.53 0.00 0.00 54.58 52.03 1g6b n ASN 30 Cb 0.40 -0.24 -0.06 0.00 -2.08 0.00 0.00 39.78 37.80 1g6b n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1g6b s PHE 31 N -0.02 -0.51 0.09 -2.53 5.36 -1.24 -1.16 117.98 117.96 1g6b s PHE 31 Ca 0.13 0.72 0.10 0.00 -0.96 0.00 0.00 56.93 56.92 1g6b s PHE 31 Cb 0.15 0.37 -0.03 0.00 -0.34 0.00 0.00 43.02 43.16 1g6b s PHE 31 CO -0.06 -0.62 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.31 1g6b s LEU 32 N -1.64 2.25 0.20 6.12 1.02 -1.26 -1.16 118.68 124.21 1g6b s LEU 32 Ca -0.08 -0.67 0.10 0.00 0.02 0.00 0.00 54.13 53.50 1g6b s LEU 32 Cb -0.01 -1.20 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 1g6b s LEU 32 CO 0.03 0.20 -0.20 0.68 0.02 0.00 0.00 176.35 177.08 1g6b s VAL 33 N -0.96 2.10 -0.19 -1.59 -7.23 -0.50 -4.70 120.40 107.32 1g6b s VAL 33 Ca 0.12 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.11 1g6b s VAL 33 Cb -0.10 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1g6b s VAL 33 CO 0.04 -0.32 0.09 -0.63 -0.31 0.00 0.00 175.10 173.97 1g6b s ILE 34 N -2.18 5.04 -0.34 -0.62 1.01 -1.26 -1.30 121.20 121.55 1g6b s ILE 34 Ca 0.21 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.63 1g6b s ILE 34 Cb -0.05 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.15 1g6b s ILE 34 CO 0.09 0.45 1.07 -2.28 0.00 0.00 0.00 174.94 174.28 1g6b s HIS 35 N 0.36 3.12 0.37 3.97 5.65 -0.16 -4.40 115.29 124.19 1g6b s HIS 35 Ca 0.05 1.13 0.07 0.00 0.25 0.00 0.00 55.06 56.56 1g6b s HIS 35 Cb -0.12 -3.75 0.73 0.00 -1.18 0.00 0.00 32.58 28.26 1g6b s HIS 35 CO -0.01 -0.81 1.94 -1.00 -0.65 0.00 0.00 174.74 174.21 1g6b h PRO 36 N 8.21 0.44 -0.22 2.88 0.13 -1.89 -1.92 132.00 139.63 1g6b h PRO 36 Ca -0.21 -0.08 -0.18 0.00 -0.87 0.00 0.00 66.00 64.67 1g6b h PRO 36 Cb 1.06 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1g6b h PRO 36 CO 1.04 0.45 -0.57 -0.44 -0.23 0.00 0.00 178.00 178.24 1g6b h ASP 37 N 0.43 0.77 0.88 1.44 3.32 -1.99 -3.32 116.42 117.94 1g6b h ASP 37 Ca 0.10 -0.42 -0.23 0.00 0.02 0.00 0.00 57.03 56.50 1g6b h ASP 37 Cb 0.24 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1g6b h ASP 37 CO 0.00 1.18 -1.10 -0.33 -1.72 0.00 0.00 179.24 177.27 1g6b h GLU 38 N 0.52 0.07 -6.68 3.56 5.08 -1.86 -3.46 114.58 111.81 1g6b h GLU 38 Ca 0.00 -0.12 -0.52 0.00 -1.00 0.00 0.00 59.36 57.72 1g6b h GLU 38 Cb 1.15 0.04 0.06 0.00 0.50 0.00 0.00 28.75 30.50 1g6b h GLU 38 CO 0.12 1.03 0.93 0.00 -1.00 0.00 0.00 179.01 180.09 1g6b n ILE 40 N 3.49 1.31 -3.02 0.00 -5.35 -1.26 -4.71 119.36 109.81 1g6b n ILE 40 Ca 0.13 -1.08 -0.22 0.00 -0.27 0.00 0.00 62.75 61.31 1g6b n ILE 40 Cb 0.37 0.36 0.03 0.00 -1.74 0.00 0.00 39.64 38.66 1g6b n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1g6b n ASP 41 N 1.44 -5.87 0.03 7.28 9.92 -1.26 -4.87 116.55 123.22 1g6b n ASP 41 Ca 0.25 -0.28 0.11 0.00 -0.53 0.00 0.00 54.79 54.34 1g6b n ASP 41 Cb 0.72 -4.76 0.44 0.00 -0.64 0.00 0.00 41.12 36.88 1g6b n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g6b n ALA 43 N -1.57 0.00 0.18 0.00 0.00 -1.26 -4.89 120.51 112.96 1g6b n ALA 43 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.51 1g6b n ALA 43 Cb 0.26 -1.09 0.32 0.00 0.00 0.00 0.00 19.45 18.93 1g6b n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1g6b h LEU 44 N 0.00 0.00 -0.93 0.00 4.07 -1.91 -2.98 115.31 113.56 1g6b h LEU 44 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 1g6b h LEU 44 Cb 0.56 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1g6b h LEU 44 CO 0.00 0.43 -0.38 0.00 -1.08 0.00 0.00 178.44 177.41 1g6b h GLU 46 N 0.00 0.00 -0.00 0.00 4.11 -1.85 -1.94 114.58 114.89 1g6b h GLU 46 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1g6b h GLU 46 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1g6b h GLU 46 CO 0.05 0.56 -0.08 -1.13 0.07 0.00 0.00 179.01 178.48 1g6b n SER 47 N -3.33 0.56 0.16 3.06 3.41 -1.26 -3.52 113.62 112.70 1g6b n SER 47 Ca 0.01 -0.77 0.05 0.00 -0.26 0.00 0.00 58.87 57.90 1g6b n SER 47 Cb 0.71 -0.05 0.13 0.00 -0.26 0.00 0.00 64.21 64.75 1g6b n SER 47 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1g6b h GLU 48 N 0.75 0.00 -6.37 4.33 4.39 -1.50 -3.46 114.58 112.72 1g6b h GLU 48 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1g6b h GLU 48 Cb 0.33 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1g6b h GLU 48 CO 0.00 0.40 1.05 0.00 -1.16 0.00 0.00 179.01 179.30 1g6b h PRO 50 N 10.20 0.42 -0.00 0.00 0.11 -1.92 -1.16 132.00 139.65 1g6b h PRO 50 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1g6b h PRO 50 Cb 1.12 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1g6b h PRO 50 CO 1.04 0.28 -0.01 0.00 -0.21 0.00 0.00 178.00 179.09 1g6b n ALA 51 N -2.51 2.64 -4.43 -0.75 0.00 -1.26 -4.91 120.51 109.29 1g6b n ALA 51 Ca 0.09 -0.22 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 1g6b n ALA 51 Cb 0.35 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.25 1g6b n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1g6b n GLN 52 N -0.96 -0.87 0.00 0.00 1.13 -0.44 -4.82 117.38 111.42 1g6b n GLN 52 Ca 0.20 0.12 0.12 0.00 -1.94 0.00 0.00 57.00 55.50 1g6b n GLN 52 Cb 0.18 -4.18 0.18 0.00 0.11 0.00 0.00 30.24 26.54 1g6b n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g6b n ALA 53 N -4.32 3.68 -2.66 -1.58 0.00 -1.26 -4.90 120.51 109.47 1g6b n ALA 53 Ca -0.10 -0.44 -0.38 0.00 0.00 0.00 0.00 53.44 52.52 1g6b n ALA 53 Cb 0.57 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 1g6b n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1g6b s ILE 54 N -2.83 5.13 0.08 0.00 1.01 -1.26 -0.80 121.20 122.52 1g6b s ILE 54 Ca 0.14 0.97 0.06 0.00 0.00 0.00 0.00 60.65 61.82 1g6b s ILE 54 Cb 0.18 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1g6b s ILE 54 CO 0.68 0.37 -0.16 -0.36 0.00 0.00 0.00 174.94 175.47 1g6b s PHE 55 N 0.29 1.36 0.38 3.97 0.40 -0.51 -4.86 117.98 119.02 1g6b s PHE 55 Ca 0.26 -0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 55.86 1g6b s PHE 55 Cb -0.16 -0.76 -0.11 0.00 0.51 0.00 0.00 43.02 42.50 1g6b s PHE 55 CO 0.12 0.10 1.50 0.45 0.70 0.00 0.00 175.22 178.08 1g6b n SER 56 N 1.21 3.84 -0.26 1.36 2.88 -1.26 -0.13 113.62 121.25 1g6b n SER 56 Ca -0.21 1.23 0.07 0.00 -1.33 0.00 0.00 58.87 58.63 1g6b n SER 56 Cb 0.54 -1.63 0.20 0.00 -0.75 0.00 0.00 64.21 62.58 1g6b n SER 56 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1g6b h GLU 57 N 3.02 0.19 0.00 -1.46 4.81 -1.60 -0.77 114.58 118.77 1g6b h GLU 57 Ca -0.51 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1g6b h GLU 57 Cb 1.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1g6b h GLU 57 CO 0.64 0.13 0.00 -0.40 -0.73 0.00 0.00 179.01 178.65 1g6b n ASP 58 N -5.24 0.00 -0.13 1.04 5.75 -1.26 -2.57 116.55 114.14 1g6b n ASP 58 Ca 0.16 -0.02 0.01 0.00 -0.01 0.00 0.00 54.79 54.93 1g6b n ASP 58 Cb 0.52 -0.27 0.03 0.00 -1.03 0.00 0.00 41.12 40.38 1g6b n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1g6b n GLU 59 N -1.27 2.73 -1.83 0.11 1.02 -0.33 -5.03 120.64 116.04 1g6b n GLU 59 Ca 0.09 -1.55 -0.42 0.00 -0.02 0.00 0.00 57.16 55.26 1g6b n GLU 59 Cb 0.14 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1g6b n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1g6b s VAL 60 N -0.95 2.61 0.54 2.62 1.01 -0.97 -4.81 120.40 120.46 1g6b s VAL 60 Ca 0.05 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1g6b s VAL 60 Cb 0.02 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 1g6b s VAL 60 CO 0.03 0.01 0.59 -2.65 0.00 0.00 0.00 175.10 173.08 1g6b n PRO 61 N 4.96 0.59 -0.18 2.72 -0.02 -1.26 -4.82 135.00 137.00 1g6b n PRO 61 Ca 0.16 0.23 -0.01 0.00 -2.02 0.00 0.00 63.50 61.86 1g6b n PRO 61 Cb 0.38 -1.73 0.08 0.00 -0.02 0.00 0.00 33.50 32.22 1g6b n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1g6b h GLU 62 N 0.40 0.21 0.00 -0.52 4.22 -2.02 -0.86 114.58 116.02 1g6b h GLU 62 Ca -0.45 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1g6b h GLU 62 Cb 1.39 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1g6b h GLU 62 CO 0.48 0.14 0.00 -0.40 -2.18 0.00 0.00 179.01 177.06 1g6b n ASP 63 N -5.15 0.00 -0.16 1.04 5.75 -1.26 -2.85 116.55 113.92 1g6b n ASP 63 Ca 0.07 -1.66 0.05 0.00 -0.01 0.00 0.00 54.79 53.24 1g6b n ASP 63 Cb 0.29 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.44 1g6b n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1g6b n MET 64 N -0.59 1.13 0.22 0.11 2.81 -0.34 -4.87 117.12 115.59 1g6b n MET 64 Ca 0.04 -1.77 0.15 0.00 -1.81 0.00 0.00 57.70 54.31 1g6b n MET 64 Cb 0.02 -1.05 0.80 0.00 -0.71 0.00 0.00 33.22 32.27 1g6b n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1g6b h GLN 65 N 0.00 0.00 -0.00 0.03 1.08 -1.38 -1.06 115.11 113.78 1g6b h GLN 65 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1g6b h GLN 65 Cb 1.01 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1g6b h GLN 65 CO 0.00 0.00 0.00 0.93 -0.95 0.00 0.00 178.83 178.81 1g6b h GLU 66 N 0.00 0.00 0.00 1.46 3.07 -1.89 -2.67 114.58 114.55 1g6b h GLU 66 Ca 0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1g6b h GLU 66 Cb 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1g6b h GLU 66 CO -0.00 0.00 -0.05 0.74 -1.40 0.00 0.00 179.01 178.30 1g6b h PHE 67 N 0.00 0.00 0.53 4.33 0.04 -1.54 -1.97 116.94 118.33 1g6b h PHE 67 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1g6b h PHE 67 Cb 0.01 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1g6b h PHE 67 CO 0.00 0.05 -0.26 0.82 -0.60 0.00 0.00 178.31 178.32 1g6b h ILE 68 N 0.00 0.40 -0.65 -0.55 2.04 -1.65 -0.60 117.51 116.51 1g6b h ILE 68 Ca -0.00 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1g6b h ILE 68 Cb 0.68 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1g6b h ILE 68 CO 0.01 0.04 0.30 -0.61 0.00 0.00 0.00 178.15 177.88 1g6b h GLN 69 N -0.91 0.93 -0.26 2.37 4.15 -1.74 -2.95 115.11 116.70 1g6b h GLN 69 Ca -0.07 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 1g6b h GLN 69 Cb 0.62 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1g6b h GLN 69 CO 0.12 0.73 0.13 1.25 -1.93 0.00 0.00 178.83 179.14 1g6b h LEU 70 N 0.93 0.33 -0.43 -2.39 6.46 -1.12 -1.90 115.31 117.19 1g6b h LEU 70 Ca 0.22 -0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 1g6b h LEU 70 Cb 0.12 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 39.91 1g6b h LEU 70 CO -0.03 0.34 0.08 0.78 -0.62 0.00 0.00 178.44 179.00 1g6b h ASN 71 N 0.29 0.01 -0.21 1.25 2.35 -1.04 -0.86 115.58 117.36 1g6b h ASN 71 Ca 0.09 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1g6b h ASN 71 Cb 0.09 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 1g6b h ASN 71 CO -0.01 0.04 -0.14 0.00 -1.65 0.00 0.00 177.43 175.66 1g6b h ALA 72 N 1.33 0.01 0.12 -0.83 0.00 -1.37 -1.26 119.26 117.25 1g6b h ALA 72 Ca 0.21 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1g6b h ALA 72 Cb 0.26 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1g6b h ALA 72 CO -0.27 -0.57 -0.06 0.93 0.00 0.00 0.00 179.25 179.28 1g6b h GLU 73 N -0.14 -0.15 0.00 0.00 4.39 -0.62 -3.23 114.58 114.84 1g6b h GLU 73 Ca 0.12 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1g6b h GLU 73 Cb 0.32 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1g6b h GLU 73 CO -0.30 0.06 0.00 -0.07 -1.16 0.00 0.00 179.01 177.54 1g6b h LEU 74 N -0.34 0.00 -1.54 1.33 3.38 -1.15 -1.95 115.31 115.04 1g6b h LEU 74 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1g6b h LEU 74 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1g6b h LEU 74 CO 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.41 1g6b h ALA 75 N 2.05 1.10 -0.28 1.53 0.00 -1.24 -1.08 119.26 121.34 1g6b h ALA 75 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1g6b h ALA 75 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1g6b h ALA 75 CO 0.00 0.18 -0.23 0.93 0.00 0.00 0.00 179.25 180.13 1g6b h GLU 76 N 0.00 0.53 0.00 0.00 4.39 -1.40 -3.38 114.58 114.72 1g6b h GLU 76 Ca -0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1g6b h GLU 76 Cb 0.53 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1g6b h GLU 76 CO 0.02 0.73 -1.60 1.33 -1.16 0.00 0.00 179.01 178.33 1g6b n VAL 77 N -4.13 0.00 -3.69 3.13 0.24 -0.74 -5.02 118.33 108.12 1g6b n VAL 77 Ca -0.00 -0.34 -0.34 0.00 -2.04 0.00 0.00 64.34 61.62 1g6b n VAL 77 Cb 0.40 0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.99 1g6b n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1g6b s TRP 78 N -3.07 3.55 0.40 6.34 0.51 -0.48 -5.06 118.94 121.12 1g6b s TRP 78 Ca -0.04 0.62 -0.26 0.00 -2.12 0.00 0.00 56.10 54.30 1g6b s TRP 78 Cb 0.11 -2.04 -0.09 0.00 -0.81 0.00 0.00 33.47 30.65 1g6b s TRP 78 CO 0.71 0.53 1.34 -1.25 -0.51 0.00 0.00 176.95 177.77 1g6b s PRO 79 N -2.08 3.97 0.34 4.98 0.04 -1.25 -4.60 135.00 136.40 1g6b s PRO 79 Ca 0.33 2.24 -0.29 0.00 0.04 0.00 0.00 61.00 63.33 1g6b s PRO 79 Cb -0.13 -2.79 -0.12 0.00 0.04 0.00 0.00 34.50 31.51 1g6b s PRO 79 CO 0.20 -0.53 1.46 -1.71 0.04 0.00 0.00 177.00 176.46 1g6b n ASN 80 N 0.16 3.51 -4.13 6.66 4.05 -1.26 -0.11 115.26 124.13 1g6b n ASN 80 Ca 0.03 1.20 -0.32 0.00 0.45 0.00 0.00 54.58 55.95 1g6b n ASN 80 Cb 0.43 -1.57 -0.16 0.00 1.23 0.00 0.00 39.78 39.70 1g6b n ASN 80 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1g6b s ILE 81 N -0.80 1.94 -0.01 -1.44 2.07 -0.63 -4.75 121.20 117.58 1g6b s ILE 81 Ca 0.57 -0.90 0.02 0.00 -1.41 0.00 0.00 60.65 58.93 1g6b s ILE 81 Cb -0.51 -1.73 -0.02 0.00 0.13 0.00 0.00 42.46 40.32 1g6b s ILE 81 CO 0.59 0.53 0.04 0.35 -1.91 0.00 0.00 174.94 174.54 1g6b n THR 82 N 4.22 0.00 -4.49 4.00 -2.24 -1.26 -4.50 114.28 110.01 1g6b n THR 82 Ca -0.20 -0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.15 1g6b n THR 82 Cb 0.51 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.18 1g6b n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1g6b s GLU 83 N -1.98 2.76 0.61 -0.78 2.02 -1.26 -4.72 118.70 115.36 1g6b s GLU 83 Ca -0.00 -0.56 -0.18 0.00 0.02 0.00 0.00 54.97 54.24 1g6b s GLU 83 Cb 0.01 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 1g6b s GLU 83 CO 0.07 0.65 1.22 0.21 0.02 0.00 0.00 175.26 177.44 1g6b s LYS 84 N -1.06 2.86 0.27 1.61 2.20 -1.26 -5.00 119.74 119.36 1g6b s LYS 84 Ca 0.15 1.87 0.05 0.00 -0.36 0.00 0.00 55.97 57.68 1g6b s LYS 84 Cb -0.11 -1.91 -0.02 0.00 -1.51 0.00 0.00 37.83 34.28 1g6b s LYS 84 CO 0.04 -1.30 0.18 0.36 -0.36 0.00 0.00 175.35 174.27 1g6b n LYS 85 N -1.69 0.40 -2.19 4.03 2.85 -1.26 -5.11 118.16 115.19 1g6b n LYS 85 Ca 0.14 -2.53 -0.38 0.00 -1.05 0.00 0.00 58.31 54.49 1g6b n LYS 85 Cb 0.49 1.88 -0.01 0.00 -0.65 0.00 0.00 35.03 36.74 1g6b n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1g6b s ASP 86 N -2.79 6.31 0.83 -5.58 -0.00 -1.26 -4.69 116.67 109.49 1g6b s ASP 86 Ca 0.26 2.45 -0.14 0.00 -0.00 0.00 0.00 52.55 55.12 1g6b s ASP 86 Cb 0.01 -2.62 0.04 0.00 -0.00 0.00 0.00 42.92 40.36 1g6b s ASP 86 CO 0.18 -0.83 0.83 -2.65 -0.00 0.00 0.00 175.17 172.71 1g6b n PRO 87 N -0.09 0.06 -1.61 8.23 -0.02 -1.26 -4.89 135.00 135.43 1g6b n PRO 87 Ca 0.05 0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.26 1g6b n PRO 87 Cb 0.46 -2.13 0.08 0.00 -0.02 0.00 0.00 33.50 31.88 1g6b n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1g6b s LEU 88 N -3.16 3.44 0.23 2.45 1.43 -0.97 -4.89 118.68 117.20 1g6b s LEU 88 Ca 0.67 2.42 -0.08 0.00 -1.03 0.00 0.00 54.13 56.11 1g6b s LEU 88 Cb -0.28 -4.60 0.23 0.00 0.03 0.00 0.00 46.19 41.57 1g6b s LEU 88 CO 0.57 -2.07 1.89 -0.65 0.23 0.00 0.00 176.35 176.32 1g6b h PRO 89 N 0.11 1.12 -0.73 1.29 0.11 -1.90 -0.84 132.00 131.16 1g6b h PRO 89 Ca -0.49 -0.07 -0.35 0.00 0.11 0.00 0.00 66.00 65.20 1g6b h PRO 89 Cb 1.30 -0.25 -0.21 0.00 0.11 0.00 0.00 31.00 31.95 1g6b h PRO 89 CO 0.51 0.74 0.35 -0.25 -0.21 0.00 0.00 178.00 179.14 1g6b n ASP 90 N -4.50 3.50 -0.32 -2.05 9.92 -1.26 -4.79 116.55 117.05 1g6b n ASP 90 Ca 0.10 -3.59 0.08 0.00 -0.53 0.00 0.00 54.79 50.85 1g6b n ASP 90 Cb 0.05 -0.75 0.24 0.00 -0.64 0.00 0.00 41.12 40.01 1g6b n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g6b h ALA 91 N 1.26 1.38 0.00 2.24 0.00 -1.30 -2.40 119.26 120.43 1g6b h ALA 91 Ca 0.43 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1g6b h ALA 91 Cb 2.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1g6b h ALA 91 CO 0.80 -0.02 -0.25 -0.85 0.00 0.00 0.00 179.25 178.93 1g6b n GLU 92 N -4.80 0.04 -0.15 0.00 -0.00 -1.26 -1.55 120.64 112.91 1g6b n GLU 92 Ca 0.18 0.02 -0.08 0.00 -0.00 0.00 0.00 57.16 57.29 1g6b n GLU 92 Cb 0.43 -1.54 0.08 0.00 -0.00 0.00 0.00 31.44 30.41 1g6b n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1g6b h ASP 93 N 0.00 0.91 0.73 -1.84 3.45 -1.82 -3.14 116.42 114.71 1g6b h ASP 93 Ca 0.00 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.19 1g6b h ASP 93 Cb 0.54 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1g6b h ASP 93 CO 0.00 1.01 -0.45 0.79 -1.57 0.00 0.00 179.24 179.02 1g6b n TRP 94 N -4.17 0.21 -2.15 4.55 7.02 -1.06 -4.76 117.44 117.09 1g6b n TRP 94 Ca 0.02 0.06 -0.43 0.00 -1.02 0.00 0.00 57.50 56.13 1g6b n TRP 94 Cb 0.36 -0.45 -0.02 0.00 -2.42 0.00 0.00 31.31 28.78 1g6b n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1g6b s ASP 95 N -3.45 6.29 0.00 -0.99 3.68 -0.60 -2.44 116.67 119.16 1g6b s ASP 95 Ca 0.10 1.40 0.00 0.00 2.13 0.00 0.00 52.55 56.18 1g6b s ASP 95 Cb 0.16 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.10 1g6b s ASP 95 CO 0.68 -1.37 0.00 0.61 0.13 0.00 0.00 175.17 175.22 1g6b n GLY 96 N 4.86 0.78 3.70 2.66 0.00 -1.26 -4.99 105.19 110.94 1g6b n GLY 96 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1g6b n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g6b s VAL 97 N -2.04 3.76 0.49 1.61 1.01 -1.02 -5.02 120.40 119.18 1g6b s VAL 97 Ca 0.00 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.13 1g6b s VAL 97 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1g6b s VAL 97 CO 0.00 0.05 0.81 -0.54 0.00 0.00 0.00 175.10 175.43 1g6b s LYS 98 N 1.63 3.58 -1.16 2.72 1.02 -1.26 -4.40 119.74 121.87 1g6b s LYS 98 Ca 0.62 0.31 -0.07 0.00 0.02 0.00 0.00 55.97 56.85 1g6b s LYS 98 Cb -0.32 -2.34 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1g6b s LYS 98 CO 0.28 -0.23 0.89 0.41 -0.92 0.00 0.00 175.35 175.78 1g6b n GLY 99 N -2.18 -0.30 0.00 -3.33 0.00 -1.26 -4.91 105.19 93.21 1g6b n GLY 99 Ca 0.02 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1g6b n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g6b n LYS 100 N -4.09 0.48 0.24 1.61 5.02 -1.26 -3.55 118.16 116.61 1g6b n LYS 100 Ca -0.01 0.03 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 1g6b n LYS 100 Cb 0.56 -1.50 0.63 0.00 -0.02 0.00 0.00 35.03 34.70 1g6b n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1g6b h LEU 101 N 0.00 0.03 -2.38 -0.35 5.85 -1.91 -0.41 115.31 116.14 1g6b h LEU 101 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1g6b h LEU 101 Cb 0.18 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1g6b h LEU 101 CO 0.00 0.02 0.00 0.06 -0.34 0.00 0.00 178.44 178.18 1g6b h GLN 102 N 0.03 0.00 -0.04 1.25 3.07 -1.98 -2.09 115.11 115.35 1g6b h GLN 102 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1g6b h GLN 102 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1g6b h GLN 102 CO -0.00 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.64 1g6b n HIS 103 N -2.94 0.02 -1.83 0.06 8.25 -0.17 -4.97 115.22 113.64 1g6b n HIS 103 Ca -0.02 -0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1g6b n HIS 103 Cb 0.12 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1g6b n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1g6b s LEU 104 N -1.98 4.36 -0.10 2.41 2.96 -0.79 -4.94 118.68 120.61 1g6b s LEU 104 Ca 0.32 2.83 -0.01 0.00 -0.22 0.00 0.00 54.13 57.06 1g6b s LEU 104 Cb 0.20 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1g6b s LEU 104 CO 0.31 -0.87 -0.07 -1.61 -1.32 0.00 0.00 176.35 172.79 1g6b s GLU 105 N 0.12 3.08 0.00 1.98 2.02 -1.26 -5.11 118.70 119.53 1g6b s GLU 105 Ca 0.66 -0.55 0.32 0.00 0.02 0.00 0.00 54.97 55.42 1g6b s GLU 105 Cb -0.47 -2.69 1.91 0.00 0.10 0.00 0.00 34.13 32.99 1g6b s GLU 105 CO 0.41 0.50 2.23 -2.13 0.02 0.00 0.00 175.26 176.29