#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxg s PHE 22 N 0.00 2.93 0.72 4.31 2.19 -1.26 -4.95 117.98 121.92 3hxg s PHE 22 Ca 0.00 0.65 -0.16 0.00 0.33 0.00 0.00 56.93 57.75 3hxg s PHE 22 Cb 0.00 -3.85 0.03 0.00 -1.31 0.00 0.00 43.02 37.89 3hxg s PHE 22 CO 0.00 -3.18 1.25 -2.14 1.83 0.00 0.00 175.22 172.98 3hxg s PRO 23 N 1.61 2.15 -0.36 10.12 0.02 -1.26 -4.96 135.00 142.33 3hxg s PRO 23 Ca 0.69 1.91 -0.17 0.00 0.02 0.00 0.00 61.00 63.45 3hxg s PRO 23 Cb -0.40 -1.82 -0.00 0.00 0.02 0.00 0.00 34.50 32.30 3hxg s PRO 23 CO 0.31 -1.87 0.47 -1.01 -0.33 0.00 0.00 177.00 174.57 3hxg s HIS 24 N -1.75 3.18 0.38 6.54 3.76 -1.26 -5.00 115.29 121.15 3hxg s HIS 24 Ca 0.78 0.07 -0.26 0.00 -0.15 0.00 0.00 55.06 55.50 3hxg s HIS 24 Cb -0.33 -2.86 -0.09 0.00 1.11 0.00 0.00 32.58 30.41 3hxg s HIS 24 CO 0.44 -0.53 1.16 -1.25 -0.85 0.00 0.00 174.74 173.71 3hxg s PRO 25 N 2.27 4.15 0.34 8.40 0.04 -1.26 -1.16 135.00 147.78 3hxg s PRO 25 Ca 0.16 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 3hxg s PRO 25 Cb -0.16 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 3hxg s PRO 25 CO 0.13 -0.23 0.60 -0.51 0.04 0.00 0.00 177.00 177.03 3hxg s LEU 26 N -2.34 3.97 0.26 -3.56 1.43 0.09 -4.82 118.68 113.72 3hxg s LEU 26 Ca 0.55 0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 54.33 3hxg s LEU 26 Cb -0.31 -3.55 0.54 0.00 0.03 0.00 0.00 46.19 42.91 3hxg s LEU 26 CO 0.39 -0.29 1.72 -0.61 0.23 0.00 0.00 176.35 177.79 3hxg h GLN 27 N 1.20 0.44 -5.62 1.70 5.75 -1.89 -3.43 115.11 113.26 3hxg h GLN 27 Ca -0.48 -0.03 -0.46 0.00 -0.15 0.00 0.00 58.65 57.54 3hxg h GLN 27 Cb 1.20 -0.10 -0.17 0.00 1.07 0.00 0.00 27.48 29.48 3hxg h GLN 27 CO 0.64 0.29 -0.76 -0.51 -2.65 0.00 0.00 178.83 175.84 3hxg s ASP 28 N -5.31 2.32 0.07 -0.69 1.01 -1.26 -5.13 116.67 107.68 3hxg s ASP 28 Ca -0.12 -0.86 -0.24 0.00 0.71 0.00 0.00 52.55 52.03 3hxg s ASP 28 Cb 0.22 -0.11 -0.06 0.00 1.01 0.00 0.00 42.92 43.98 3hxg s ASP 28 CO 0.77 -0.11 0.74 -0.55 0.21 0.00 0.00 175.17 176.22 3hxg s SER 29 N -2.67 7.22 0.09 0.27 0.15 -1.26 -4.69 113.70 112.81 3hxg s SER 29 Ca 0.13 1.45 0.08 0.00 0.70 0.00 0.00 55.95 58.32 3hxg s SER 29 Cb -0.04 -2.46 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 3hxg s SER 29 CO 0.05 0.09 -0.22 0.26 1.20 0.00 0.00 173.24 174.62 3hxg s TRP 30 N -0.42 1.86 0.02 3.44 0.52 -0.04 -1.22 118.94 123.10 3hxg s TRP 30 Ca 0.36 -0.41 0.07 0.00 0.02 0.00 0.00 56.10 56.15 3hxg s TRP 30 Cb -0.21 -1.03 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 3hxg s TRP 30 CO 0.23 0.20 -0.21 -1.12 0.02 0.00 0.00 176.95 176.07 3hxg s SER 31 N -1.80 3.56 -0.17 2.95 0.01 0.95 -0.79 113.70 118.41 3hxg s SER 31 Ca 0.07 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.87 3hxg s SER 31 Cb -0.10 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 3hxg s SER 31 CO 0.04 0.28 -0.09 -0.47 0.41 0.00 0.00 173.24 173.41 3hxg s TYR 32 N -0.83 2.89 0.04 2.43 6.14 0.87 -1.78 117.35 127.12 3hxg s TYR 32 Ca 0.13 -0.79 0.08 0.00 0.64 0.00 0.00 57.07 57.13 3hxg s TYR 32 Cb -0.10 -1.97 -0.03 0.00 0.42 0.00 0.00 41.96 40.28 3hxg s TYR 32 CO 0.03 -0.37 -0.24 0.71 0.64 0.00 0.00 175.55 176.32 3hxg s TYR 33 N 0.88 2.12 -0.15 4.97 2.02 0.56 -0.05 117.35 127.71 3hxg s TYR 33 Ca -0.02 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.23 3hxg s TYR 33 Cb -0.15 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3hxg s TYR 33 CO 0.00 0.11 0.02 -0.51 -1.57 0.00 0.00 175.55 173.60 3hxg s LEU 34 N -1.18 3.63 -0.23 -1.29 1.43 -0.71 -1.68 118.68 118.64 3hxg s LEU 34 Ca 0.10 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 3hxg s LEU 34 Cb -0.09 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 3hxg s LEU 34 CO 0.02 0.23 0.16 0.12 0.23 0.00 0.00 176.35 177.11 3hxg s PHE 35 N -0.01 3.34 -0.13 0.29 5.36 0.37 -1.63 117.98 125.56 3hxg s PHE 35 Ca 0.04 0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 56.23 3hxg s PHE 35 Cb -0.13 -2.26 0.05 0.00 -0.34 0.00 0.00 43.02 40.35 3hxg s PHE 35 CO 0.02 0.11 0.06 -0.65 -1.46 0.00 0.00 175.22 173.30 3hxg s GLN 36 N 0.92 0.18 0.13 10.12 -0.21 -0.33 -1.55 119.66 128.92 3hxg s GLN 36 Ca 0.08 0.01 -0.30 0.00 0.02 0.00 0.00 55.36 55.17 3hxg s GLN 36 Cb -0.13 -1.43 -0.07 0.00 1.00 0.00 0.00 33.01 32.38 3hxg s GLN 36 CO 0.03 -0.54 1.15 0.12 -2.12 0.00 0.00 175.29 173.94 3hxg s PHE 37 N 2.08 3.51 -0.01 0.91 5.36 -1.26 -4.66 117.98 123.91 3hxg s PHE 37 Ca 0.03 1.46 0.01 0.00 -0.96 0.00 0.00 56.93 57.47 3hxg s PHE 37 Cb -0.15 -3.35 -0.00 0.00 -0.34 0.00 0.00 43.02 39.18 3hxg s PHE 37 CO -0.07 -0.95 -0.05 1.03 -1.46 0.00 0.00 175.22 173.73 3hxg s ARG 38 N 0.24 0.42 0.55 10.12 3.00 -1.26 -5.13 118.95 126.89 3hxg s ARG 38 Ca 0.54 -0.16 -0.20 0.00 0.00 0.00 0.00 55.73 55.90 3hxg s ARG 38 Cb -0.30 -0.42 -0.06 0.00 0.00 0.00 0.00 34.95 34.17 3hxg s ARG 38 CO 0.33 0.09 0.96 0.36 0.00 0.00 0.00 175.30 177.04 3hxg n LYS 39 N 3.07 1.03 -1.13 3.54 0.00 -1.26 -2.16 118.16 121.24 3hxg n LYS 39 Ca -0.14 0.39 -0.05 0.00 -0.00 0.00 0.00 58.31 58.51 3hxg n LYS 39 Cb 0.58 -2.13 -0.02 0.00 -0.00 0.00 0.00 35.03 33.46 3hxg n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hxg n ALA 40 N -1.38 -0.07 -2.49 0.58 0.00 -1.26 -5.02 120.51 110.86 3hxg n ALA 40 Ca 0.12 0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 3hxg n ALA 40 Cb 0.45 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 3hxg n ALA 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hxg s LEU 41 N -1.05 2.66 0.79 0.00 1.43 -0.92 -5.13 118.68 116.45 3hxg s LEU 41 Ca 0.00 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3hxg s LEU 41 Cb 0.00 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.75 3hxg s LEU 41 CO 0.00 0.33 1.09 -1.81 0.23 0.00 0.00 176.35 176.19 3hxg s ASP 42 N -0.66 4.37 0.17 2.29 1.01 -1.26 -4.87 116.67 117.72 3hxg s ASP 42 Ca 0.10 1.72 -0.21 0.00 0.71 0.00 0.00 52.55 54.87 3hxg s ASP 42 Cb -0.11 -2.43 0.10 0.00 1.01 0.00 0.00 42.92 41.49 3hxg s ASP 42 CO 0.01 -2.11 1.61 -0.25 0.21 0.00 0.00 175.17 174.63 3hxg h TRP 43 N -1.18 -0.77 0.00 4.23 7.01 -2.00 -1.39 115.95 121.85 3hxg h TRP 43 Ca -0.45 0.06 -0.01 0.00 2.11 0.00 0.00 58.89 60.60 3hxg h TRP 43 Cb 1.24 0.41 -0.00 0.00 -2.10 0.00 0.00 29.16 28.71 3hxg h TRP 43 CO 0.55 -0.35 -0.05 0.38 -2.79 0.00 0.00 178.44 176.17 3hxg h ASP 44 N -0.19 0.00 1.00 2.65 2.03 -1.98 -1.88 116.42 118.06 3hxg h ASP 44 Ca 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 3hxg h ASP 44 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 3hxg h ASP 44 CO -0.56 0.05 -0.10 -0.62 -1.03 0.00 0.00 179.24 176.98 3hxg n GLU 45 N -3.20 0.06 0.00 4.15 1.02 -0.55 -3.03 120.64 119.09 3hxg n GLU 45 Ca -0.00 0.04 0.14 0.00 -0.02 0.00 0.00 57.16 57.32 3hxg n GLU 45 Cb 0.29 -1.56 0.61 0.00 -0.02 0.00 0.00 31.44 30.76 3hxg n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hxg s LEU 47 N -2.83 4.30 -0.09 0.00 1.43 -1.17 -1.19 118.68 119.14 3hxg s LEU 47 Ca 0.19 1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 54.34 3hxg s LEU 47 Cb 0.19 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 43.05 3hxg s LEU 47 CO 0.53 0.06 0.21 -1.83 0.23 0.00 0.00 176.35 175.54 3hxg s GLU 48 N -2.12 0.19 -0.37 1.70 -1.05 -0.65 -4.99 118.70 111.41 3hxg s GLU 48 Ca 0.40 0.40 -0.29 0.00 -0.15 0.00 0.00 54.97 55.34 3hxg s GLU 48 Cb -0.14 -0.05 0.02 0.00 -0.44 0.00 0.00 34.13 33.52 3hxg s GLU 48 CO 0.20 -0.11 1.16 0.21 0.95 0.00 0.00 175.26 177.66 3hxg s LYS 49 N 0.81 3.91 0.00 -4.83 2.20 -1.26 -1.73 119.74 118.84 3hxg s LYS 49 Ca -0.06 0.96 0.19 0.00 -0.36 0.00 0.00 55.97 56.70 3hxg s LYS 49 Cb -0.07 -3.83 -0.12 0.00 -1.51 0.00 0.00 37.83 32.30 3hxg s LYS 49 CO -0.05 -1.12 0.89 1.33 -0.36 0.00 0.00 175.35 176.04 3hxg n VAL 50 N 6.28 0.00 -3.58 4.02 0.24 0.92 -4.99 118.33 121.22 3hxg n VAL 50 Ca 0.13 -0.16 -0.08 0.00 -2.04 0.00 0.00 64.34 62.18 3hxg n VAL 50 Cb 0.48 1.10 -0.05 0.00 -1.47 0.00 0.00 33.84 33.90 3hxg n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hxg s ALA 51 N -2.54 -1.97 -0.09 2.33 0.00 -1.15 -4.98 121.76 113.36 3hxg s ALA 51 Ca 0.11 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.69 3hxg s ALA 51 Cb 0.15 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.55 3hxg s ALA 51 CO 0.65 -0.34 -0.12 0.99 0.00 0.00 0.00 175.76 176.94 3hxg s THR 52 N -1.32 1.21 0.15 0.00 2.01 -1.26 -0.09 115.64 116.33 3hxg s THR 52 Ca 0.01 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 61.59 3hxg s THR 52 Cb -0.01 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 3hxg s THR 52 CO -0.01 0.38 -0.14 0.72 -0.69 0.00 0.00 174.62 174.88 3hxg s PHE 53 N 0.99 1.47 0.00 4.92 -0.12 0.03 -4.98 117.98 120.29 3hxg s PHE 53 Ca -0.08 -0.59 0.00 0.00 -0.05 0.00 0.00 56.93 56.21 3hxg s PHE 53 Cb -0.15 -0.74 0.00 0.00 -0.63 0.00 0.00 43.02 41.50 3hxg s PHE 53 CO -0.00 0.19 0.24 -1.13 -0.05 0.00 0.00 175.22 174.46 3hxg n SER 54 N 0.22 0.00 -4.25 1.98 3.41 -1.26 -0.86 113.62 112.85 3hxg n SER 54 Ca -0.13 -1.00 -0.15 0.00 -0.26 0.00 0.00 58.87 57.33 3hxg n SER 54 Cb 0.58 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 3hxg n SER 54 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hxg s THR 55 N 0.00 1.21 0.20 6.66 -4.23 -1.26 -0.73 115.64 117.49 3hxg s THR 55 Ca 0.00 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 3hxg s THR 55 Cb 0.00 -1.83 0.14 0.00 1.34 0.00 0.00 72.50 72.15 3hxg s THR 55 CO 0.00 -0.72 1.86 0.40 -0.54 0.00 0.00 174.62 175.63 3hxg h ILE 56 N 2.82 1.15 -0.58 2.99 2.04 -1.46 -1.60 117.51 122.87 3hxg h ILE 56 Ca -0.37 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3hxg h ILE 56 Cb 1.19 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3hxg h ILE 56 CO 0.62 0.17 0.32 -0.33 0.00 0.00 0.00 178.15 178.93 3hxg h GLU 57 N 0.92 0.81 0.00 2.37 3.07 -1.97 -2.34 114.58 117.44 3hxg h GLU 57 Ca 0.27 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 58.90 3hxg h GLU 57 Cb -0.06 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.67 3hxg h GLU 57 CO -0.07 0.61 -0.62 -0.44 -1.40 0.00 0.00 179.01 177.09 3hxg h ASP 58 N 0.78 0.00 0.32 1.42 3.32 -1.92 -2.25 116.42 118.09 3hxg h ASP 58 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3hxg h ASP 58 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3hxg h ASP 58 CO -0.03 0.62 -0.24 0.15 -1.72 0.00 0.00 179.24 178.01 3hxg h PHE 59 N 0.00 -0.64 -0.63 4.55 3.57 -0.93 -1.50 116.94 121.36 3hxg h PHE 59 Ca -0.01 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3hxg h PHE 59 Cb 1.21 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 40.16 3hxg h PHE 59 CO 0.00 -0.37 0.20 -1.49 -2.23 0.00 0.00 178.31 174.42 3hxg h TRP 60 N -0.56 0.98 -0.41 0.41 -0.00 -1.42 -2.79 115.95 112.15 3hxg h TRP 60 Ca -0.02 -0.08 0.04 0.00 -0.00 0.00 0.00 58.89 58.83 3hxg h TRP 60 Cb 0.49 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 29.32 3hxg h TRP 60 CO -0.13 0.78 0.17 0.77 -0.00 0.00 0.00 178.44 180.03 3hxg h SER 61 N 0.92 0.21 -0.43 -3.49 0.02 -1.34 -0.40 113.55 109.04 3hxg h SER 61 Ca 0.21 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.28 3hxg h SER 61 Cb 0.26 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.72 3hxg h SER 61 CO -0.01 0.16 -0.11 0.58 -1.14 0.00 0.00 176.83 176.30 3hxg h VAL 62 N 0.35 0.55 -0.11 2.27 2.07 -1.04 -1.34 116.25 119.01 3hxg h VAL 62 Ca 0.18 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.59 3hxg h VAL 62 Cb 0.14 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3hxg h VAL 62 CO -0.17 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 176.90 3hxg h LEU 63 N -0.01 0.27 -0.94 2.57 3.38 -1.20 -2.07 115.31 117.31 3hxg h LEU 63 Ca 0.21 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3hxg h LEU 63 Cb 0.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hxg h LEU 63 CO -0.45 0.69 -0.40 0.74 0.09 0.00 0.00 178.44 179.11 3hxg h THR 64 N 0.21 0.96 -0.14 0.22 2.02 -0.80 -3.27 112.91 112.11 3hxg h THR 64 Ca 0.01 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.62 3hxg h THR 64 Cb 0.88 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 3hxg h THR 64 CO 0.07 0.39 0.00 1.41 0.37 0.00 0.00 175.52 177.76 3hxg n HIS 65 N -3.59 0.15 -4.50 3.16 8.25 -0.53 -4.96 115.22 113.21 3hxg n HIS 65 Ca -0.00 -0.08 -0.24 0.00 -0.26 0.00 0.00 57.72 57.13 3hxg n HIS 65 Cb 0.51 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.52 3hxg n HIS 65 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3hxg s THR 66 N -1.66 1.85 0.30 1.59 -4.23 -0.81 -5.06 115.64 107.63 3hxg s THR 66 Ca 0.28 -2.12 -0.29 0.00 -1.18 0.00 0.00 61.69 58.38 3hxg s THR 66 Cb 0.19 -2.63 -0.11 0.00 1.34 0.00 0.00 72.50 71.30 3hxg s THR 66 CO 0.28 -0.20 1.50 0.54 -0.54 0.00 0.00 174.62 176.19 3hxg s VAL 67 N -2.86 2.30 0.30 2.29 0.11 -1.26 -4.90 120.40 116.39 3hxg s VAL 67 Ca 0.32 0.27 -0.28 0.00 -2.93 0.00 0.00 61.98 59.36 3hxg s VAL 67 Cb 0.05 -3.17 -0.09 0.00 -1.53 0.00 0.00 36.38 31.63 3hxg s VAL 67 CO 0.15 0.05 1.08 -0.13 -3.33 0.00 0.00 175.10 172.92 3hxg s ARG 68 N -0.94 4.55 0.37 1.54 1.81 -1.26 -4.93 118.95 120.08 3hxg s ARG 68 Ca 0.58 1.74 0.16 0.00 -1.72 0.00 0.00 55.73 56.50 3hxg s ARG 68 Cb -0.45 -3.06 1.07 0.00 -0.45 0.00 0.00 34.95 32.06 3hxg s ARG 68 CO 0.50 0.15 1.72 -1.35 -0.68 0.00 0.00 175.30 175.65 3hxg h PRO 69 N 3.56 0.39 0.00 3.54 0.11 -1.94 0.17 132.00 137.84 3hxg h PRO 69 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hxg h PRO 69 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hxg h PRO 69 CO 0.66 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 3hxg h ARG 70 N 0.41 0.00 0.00 1.05 -0.00 -1.92 -3.15 114.38 110.76 3hxg h ARG 70 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.14 3hxg h ARG 70 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.54 3hxg h ARG 70 CO -0.42 0.00 -1.47 -0.85 0.00 0.00 0.00 179.97 177.23 3hxg n GLU 71 N -2.53 0.37 -2.19 0.04 0.28 0.56 -5.01 120.64 112.16 3hxg n GLU 71 Ca 0.02 -0.09 -0.39 0.00 -0.16 0.00 0.00 57.16 56.54 3hxg n GLU 71 Cb 0.30 -1.53 -0.02 0.00 1.43 0.00 0.00 31.44 31.62 3hxg n GLU 71 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3hxg s ILE 72 N -3.29 2.92 0.44 3.84 1.01 -0.98 -4.97 121.20 120.17 3hxg s ILE 72 Ca -0.00 0.83 -0.22 0.00 0.00 0.00 0.00 60.65 61.26 3hxg s ILE 72 Cb 0.15 -3.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 3hxg s ILE 72 CO 0.88 0.12 1.00 -0.89 0.00 0.00 0.00 174.94 176.05 3hxg s THR 73 N -1.29 4.04 0.41 2.92 2.01 -1.26 -4.99 115.64 117.48 3hxg s THR 73 Ca 0.55 1.34 -0.25 0.00 0.31 0.00 0.00 61.69 63.64 3hxg s THR 73 Cb -0.35 -3.58 -0.11 0.00 0.01 0.00 0.00 72.50 68.47 3hxg s THR 73 CO 0.45 -0.20 1.09 -1.22 -0.69 0.00 0.00 174.62 174.04 3hxg n TYR 74 N -0.59 1.46 -0.89 4.92 4.01 -1.26 -2.75 117.16 122.06 3hxg n TYR 74 Ca 0.07 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.36 3hxg n TYR 74 Cb 0.52 -2.27 0.00 0.00 -0.31 0.00 0.00 39.34 37.28 3hxg n TYR 74 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hxg n GLY 75 N 1.08 1.20 3.48 2.72 0.00 -0.37 -5.00 105.19 108.30 3hxg n GLY 75 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3hxg n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxg s LYS 76 N -0.01 3.59 0.23 1.61 0.00 -1.11 -4.58 119.74 119.46 3hxg s LYS 76 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 55.97 55.52 3hxg s LYS 76 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 37.83 34.27 3hxg s LYS 76 CO 0.00 -0.29 -0.05 -0.51 0.00 0.00 0.00 175.35 174.50 3hxg s ASP 77 N 1.65 4.38 -0.15 0.03 1.01 -0.60 -4.47 116.67 118.53 3hxg s ASP 77 Ca 0.06 -0.62 0.01 0.00 0.71 0.00 0.00 52.55 52.70 3hxg s ASP 77 Cb -0.16 -0.77 0.00 0.00 1.01 0.00 0.00 42.92 43.00 3hxg s ASP 77 CO 0.07 0.05 -0.17 -0.76 0.21 0.00 0.00 175.17 174.57 3hxg s LEU 78 N -3.26 2.40 -0.13 1.23 1.43 -0.45 -0.48 118.68 119.41 3hxg s LEU 78 Ca 0.28 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3hxg s LEU 78 Cb -0.07 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.62 3hxg s LEU 78 CO 0.18 0.08 -0.22 -0.31 0.23 0.00 0.00 176.35 176.31 3hxg s TYR 79 N 0.81 2.63 -0.21 0.29 2.02 -0.68 -0.37 117.35 121.84 3hxg s TYR 79 Ca -0.06 -1.28 0.01 0.00 -0.37 0.00 0.00 57.07 55.37 3hxg s TYR 79 Cb -0.15 -1.79 0.05 0.00 -0.40 0.00 0.00 41.96 39.67 3hxg s TYR 79 CO -0.00 -0.58 -0.09 1.41 -1.57 0.00 0.00 175.55 174.72 3hxg s MET 80 N 0.73 1.98 0.09 -0.62 -2.45 -0.11 -0.32 119.30 118.60 3hxg s MET 80 Ca -0.09 -0.94 0.06 0.00 -1.25 0.00 0.00 55.69 53.46 3hxg s MET 80 Cb -0.16 -2.52 -0.03 0.00 1.25 0.00 0.00 34.83 33.37 3hxg s MET 80 CO 0.00 -0.48 -0.15 -0.06 1.05 0.00 0.00 175.02 175.38 3hxg s PHE 81 N 1.35 1.33 0.28 4.11 0.08 -0.73 -0.07 117.98 124.34 3hxg s PHE 81 Ca -0.03 -0.48 -0.30 0.00 0.12 0.00 0.00 56.93 56.23 3hxg s PHE 81 Cb -0.17 -0.73 -0.12 0.00 -0.57 0.00 0.00 43.02 41.42 3hxg s PHE 81 CO -0.07 0.10 1.51 1.63 -0.10 0.00 0.00 175.22 178.28 3hxg n LYS 82 N 1.07 2.43 -0.03 0.44 5.02 -0.54 -0.04 118.16 126.52 3hxg n LYS 82 Ca -0.20 0.87 0.19 0.00 -2.02 0.00 0.00 58.31 57.15 3hxg n LYS 82 Cb 0.55 -2.59 0.65 0.00 -0.02 0.00 0.00 35.03 33.61 3hxg n LYS 82 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3hxg h SER 83 N 4.44 0.08 0.13 4.39 0.02 -1.45 0.17 113.55 121.33 3hxg h SER 83 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3hxg h SER 83 Cb 1.25 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3hxg h SER 83 CO 0.77 0.04 -0.03 0.47 -1.14 0.00 0.00 176.83 176.94 3hxg n ASP 84 N -4.40 0.46 -4.39 3.07 9.92 -1.26 -4.72 116.55 115.23 3hxg n ASP 84 Ca 0.10 -0.94 -0.38 0.00 -0.53 0.00 0.00 54.79 53.05 3hxg n ASP 84 Cb 0.57 -0.04 -0.12 0.00 -0.64 0.00 0.00 41.12 40.89 3hxg n ASP 84 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hxg s ILE 85 N -2.17 4.24 0.39 0.53 1.01 0.58 -5.04 121.20 120.75 3hxg s ILE 85 Ca 0.39 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 60.25 3hxg s ILE 85 Cb 0.21 -3.15 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 3hxg s ILE 85 CO 0.40 0.11 1.25 -0.04 0.00 0.00 0.00 174.94 176.65 3hxg s MET 86 N 1.56 4.05 -1.58 2.79 -1.94 -1.26 -4.61 119.30 118.31 3hxg s MET 86 Ca 0.04 2.04 -0.11 0.00 -1.71 0.00 0.00 55.69 55.95 3hxg s MET 86 Cb -0.17 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.85 3hxg s MET 86 CO 0.04 -0.38 2.75 -0.35 -0.01 0.00 0.00 175.02 177.07 3hxg n PRO 87 N 0.21 3.50 -3.68 2.03 -0.04 -1.26 -4.71 135.00 131.05 3hxg n PRO 87 Ca 0.03 -2.34 -0.14 0.00 -0.04 0.00 0.00 63.50 61.01 3hxg n PRO 87 Cb 0.44 -2.93 -0.07 0.00 -0.04 0.00 0.00 33.50 30.90 3hxg n PRO 87 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3hxg s LYS 88 N 2.36 0.83 0.54 0.54 -2.85 -1.26 -5.03 119.74 114.86 3hxg s LYS 88 Ca 0.63 -0.13 0.23 0.00 -1.00 0.00 0.00 55.97 55.70 3hxg s LYS 88 Cb 0.17 0.37 1.42 0.00 -2.06 0.00 0.00 37.83 37.73 3hxg s LYS 88 CO -0.07 -0.25 2.08 -1.49 0.10 0.00 0.00 175.35 175.72 3hxg h TRP 89 N 3.43 0.00 0.00 1.78 6.55 -1.91 -2.68 115.95 123.12 3hxg h TRP 89 Ca -0.29 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.53 3hxg h TRP 89 Cb 1.18 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.47 3hxg h TRP 89 CO 0.46 0.00 -0.06 0.93 -1.05 0.00 0.00 178.44 178.72 3hxg h GLU 90 N 0.00 0.00 -6.75 0.49 3.07 -1.93 -2.69 114.58 106.77 3hxg h GLU 90 Ca 0.12 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.43 3hxg h GLU 90 Cb 0.53 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.53 3hxg h GLU 90 CO -0.00 0.06 0.72 -3.47 -1.40 0.00 0.00 179.01 174.92 3hxg n ASP 91 N -3.17 3.34 -0.33 1.42 2.03 -1.01 -4.72 116.55 114.10 3hxg n ASP 91 Ca 0.01 1.17 0.10 0.00 0.52 0.00 0.00 54.79 56.58 3hxg n ASP 91 Cb 0.36 -1.53 0.27 0.00 -0.72 0.00 0.00 41.12 39.50 3hxg n ASP 91 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hxg h PRO 92 N 3.95 0.73 0.00 -0.67 0.11 -1.91 0.20 132.00 134.40 3hxg h PRO 92 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hxg h PRO 92 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hxg h PRO 92 CO 0.73 0.48 0.00 1.63 -0.21 0.00 0.00 178.00 180.63 3hxg n LYS 93 N -4.78 0.12 -0.05 1.05 4.76 -1.26 -3.52 118.16 114.47 3hxg n LYS 93 Ca 0.20 0.32 -0.05 0.00 -2.87 0.00 0.00 58.31 55.91 3hxg n LYS 93 Cb 0.48 -1.71 -0.09 0.00 -1.84 0.00 0.00 35.03 31.88 3hxg n LYS 93 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hxg n ASN 94 N -1.92 2.18 0.06 4.39 3.02 0.27 -4.25 115.26 119.01 3hxg n ASN 94 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.62 3hxg n ASN 94 Cb 0.23 0.84 0.44 0.00 -0.61 0.00 0.00 39.78 40.67 3hxg n ASN 94 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3hxg h GLU 95 N 0.00 0.40 -0.57 3.52 4.11 -0.38 0.03 114.58 121.68 3hxg h GLU 95 Ca -0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3hxg h GLU 95 Cb 1.63 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3hxg h GLU 95 CO 0.02 0.33 0.00 0.09 0.07 0.00 0.00 179.01 179.51 3hxg n ASN 96 N -4.43 5.61 0.00 3.06 5.03 -1.26 -4.78 115.26 118.48 3hxg n ASN 96 Ca 0.01 -2.91 0.00 0.00 0.87 0.00 0.00 54.58 52.55 3hxg n ASN 96 Cb 0.12 -0.67 0.00 0.00 -1.02 0.00 0.00 39.78 38.21 3hxg n ASN 96 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hxg n GLY 97 N 0.60 2.32 3.62 7.41 0.00 -0.00 -2.47 105.19 116.67 3hxg n GLY 97 Ca 0.27 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 3hxg n GLY 97 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxg s GLY 98 N -0.25 -0.36 0.05 -0.02 0.00 -0.91 -1.45 107.32 104.38 3hxg s GLY 98 Ca 0.00 0.89 0.08 0.00 0.00 0.00 0.00 44.72 45.69 3hxg s GLY 98 CO 0.00 0.23 -0.22 1.09 0.00 0.00 0.00 173.10 174.20 3hxg s ARG 99 N -2.55 1.44 -0.23 2.90 1.70 -0.27 0.48 118.95 122.42 3hxg s ARG 99 Ca 0.12 -1.02 -0.25 0.00 -0.47 0.00 0.00 55.73 54.12 3hxg s ARG 99 Cb 0.02 -1.60 -0.01 0.00 -0.57 0.00 0.00 34.95 32.80 3hxg s ARG 99 CO -0.04 0.40 0.84 -1.58 -1.08 0.00 0.00 175.30 173.85 3hxg s TRP 100 N -0.85 3.33 -0.18 5.89 0.52 0.25 -0.50 118.94 127.40 3hxg s TRP 100 Ca 0.08 1.18 -0.07 0.00 0.02 0.00 0.00 56.10 57.31 3hxg s TRP 100 Cb -0.09 -3.05 -0.04 0.00 -1.15 0.00 0.00 33.47 29.13 3hxg s TRP 100 CO 0.02 -0.37 0.05 -1.17 0.02 0.00 0.00 176.95 175.50 3hxg s LEU 101 N 2.73 3.76 -0.21 2.99 2.96 0.13 -1.49 118.68 129.56 3hxg s LEU 101 Ca 0.36 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 3hxg s LEU 101 Cb -0.15 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.59 3hxg s LEU 101 CO 0.08 0.17 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.56 3hxg s ILE 102 N 0.40 2.93 -0.43 6.68 1.01 0.18 -2.05 121.20 129.91 3hxg s ILE 102 Ca 0.02 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 3hxg s ILE 102 Cb -0.13 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.05 3hxg s ILE 102 CO 0.00 0.45 0.63 0.20 0.00 0.00 0.00 174.94 176.23 3hxg s ASN 103 N 1.41 6.33 0.25 3.58 0.01 -1.26 -1.30 114.94 123.96 3hxg s ASN 103 Ca 0.05 -0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 51.61 3hxg s ASN 103 Cb -0.14 -2.32 -0.09 0.00 0.41 0.00 0.00 41.25 39.11 3hxg s ASN 103 CO -0.06 -0.75 1.31 -0.69 -1.51 0.00 0.00 177.10 175.39 3hxg s VAL 104 N 2.78 3.02 0.27 1.60 1.01 -0.58 -5.00 120.40 123.51 3hxg s VAL 104 Ca 0.22 0.90 0.06 0.00 0.00 0.00 0.00 61.98 63.17 3hxg s VAL 104 Cb -0.14 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3hxg s VAL 104 CO 0.18 0.17 0.36 0.42 0.00 0.00 0.00 175.10 176.23 3hxg s THR 105 N -0.37 4.67 0.42 3.92 -4.23 -1.26 -4.42 115.64 114.37 3hxg s THR 105 Ca 0.54 -1.09 0.13 0.00 -1.18 0.00 0.00 61.69 60.09 3hxg s THR 105 Cb -0.38 -3.61 0.33 0.00 1.34 0.00 0.00 72.50 70.18 3hxg s THR 105 CO 0.43 -0.27 1.95 0.00 -0.54 0.00 0.00 174.62 176.19 3hxg h ALA 106 N 1.16 2.00 0.00 3.99 0.00 -2.02 -2.09 119.26 122.30 3hxg h ALA 106 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3hxg h ALA 106 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hxg h ALA 106 CO 0.59 -0.16 0.00 0.07 0.00 0.00 0.00 179.25 179.74 3hxg h ARG 107 N 0.47 0.00 -6.33 0.00 0.11 -2.03 -3.46 114.38 103.14 3hxg h ARG 107 Ca 0.32 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.86 3hxg h ARG 107 Cb 0.63 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.67 3hxg h ARG 107 CO -0.10 0.00 0.13 -0.65 0.10 0.00 0.00 179.97 179.45 3hxg s GLN 108 N -3.32 4.47 -0.24 0.08 -0.21 -0.79 -5.04 119.66 114.62 3hxg s GLN 108 Ca 0.06 1.03 -0.26 0.00 0.02 0.00 0.00 55.36 56.21 3hxg s GLN 108 Cb 0.09 -3.32 -0.00 0.00 1.00 0.00 0.00 33.01 30.78 3hxg s GLN 108 CO 0.53 0.41 0.89 0.34 -2.12 0.00 0.00 175.29 175.33 3hxg s ASP 109 N -0.48 6.92 0.32 5.90 2.15 -1.26 -4.90 116.67 125.31 3hxg s ASP 109 Ca 0.36 1.14 0.17 0.00 0.43 0.00 0.00 52.55 54.65 3hxg s ASP 109 Cb -0.21 -2.47 0.30 0.00 -0.30 0.00 0.00 42.92 40.24 3hxg s ASP 109 CO 0.23 -0.56 1.55 -0.37 -0.17 0.00 0.00 175.17 175.85 3hxg h VAL 110 N 5.43 0.84 0.28 1.11 -1.51 -1.96 -2.04 116.25 118.41 3hxg h VAL 110 Ca -0.22 -1.95 -0.01 0.00 -1.23 0.00 0.00 66.70 63.28 3hxg h VAL 110 Cb 1.08 2.24 0.00 0.00 -2.13 0.00 0.00 31.29 32.49 3hxg h VAL 110 CO 0.90 0.44 -0.14 0.44 -1.23 0.00 0.00 177.57 177.99 3hxg h ASP 111 N 0.00 -0.32 -0.20 4.19 3.32 -1.93 -0.38 116.42 121.10 3hxg h ASP 111 Ca -0.00 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.09 3hxg h ASP 111 Cb 1.21 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 3hxg h ASP 111 CO 0.06 -0.21 -0.12 0.15 -1.72 0.00 0.00 179.24 177.39 3hxg h PHE 112 N -0.40 -0.30 0.01 4.55 3.57 -1.95 0.59 116.94 123.00 3hxg h PHE 112 Ca -0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.50 3hxg h PHE 112 Cb 0.31 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3hxg h PHE 112 CO -0.05 -0.19 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.66 3hxg h LEU 113 N -0.11 -0.32 0.16 0.59 3.38 -1.30 -0.21 115.31 117.49 3hxg h LEU 113 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hxg h LEU 113 Cb 0.29 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hxg h LEU 113 CO -0.27 -0.16 -0.08 -0.25 0.09 0.00 0.00 178.44 177.77 3hxg h TRP 114 N -0.20 -0.20 -0.22 1.13 -0.00 -0.93 -0.74 115.95 114.79 3hxg h TRP 114 Ca 0.04 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.94 3hxg h TRP 114 Cb 0.24 0.07 -0.02 0.00 -0.00 0.00 0.00 29.16 29.45 3hxg h TRP 114 CO -0.17 -0.11 0.11 -0.44 -0.00 0.00 0.00 178.44 177.83 3hxg h ASP 115 N -0.23 0.17 -0.84 2.65 3.32 -0.75 0.53 116.42 121.27 3hxg h ASP 115 Ca -0.02 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3hxg h ASP 115 Cb 0.18 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 3hxg h ASP 115 CO 0.04 0.13 0.55 -0.33 -1.72 0.00 0.00 179.24 177.91 3hxg h GLU 116 N 0.24 1.07 0.31 3.56 4.39 -1.02 -0.17 114.58 122.97 3hxg h GLU 116 Ca 0.09 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3hxg h GLU 116 Cb 0.02 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 3hxg h GLU 116 CO -0.06 0.71 -0.15 1.25 -1.16 0.00 0.00 179.01 179.60 3hxg h LEU 117 N 1.11 -0.36 -0.92 1.33 5.85 -0.72 -1.71 115.31 119.88 3hxg h LEU 117 Ca 0.32 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 3hxg h LEU 117 Cb -0.07 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3hxg h LEU 117 CO -0.09 -0.13 0.22 -0.07 -0.34 0.00 0.00 178.44 178.03 3hxg h LEU 118 N -0.57 0.93 -0.58 2.25 3.38 -0.79 -1.69 115.31 118.24 3hxg h LEU 118 Ca -0.04 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3hxg h LEU 118 Cb 0.42 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3hxg h LEU 118 CO 0.07 0.86 0.28 0.24 0.09 0.00 0.00 178.44 179.98 3hxg h MET 119 N 0.97 0.50 -0.05 1.13 2.86 -0.99 0.16 114.93 119.51 3hxg h MET 119 Ca 0.22 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3hxg h MET 119 Cb 0.26 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3hxg h MET 119 CO -0.01 0.33 -0.04 1.25 1.06 0.00 0.00 176.91 179.50 3hxg h LEU 120 N 0.52 -0.11 0.39 1.22 5.85 -0.62 -1.13 115.31 121.41 3hxg h LEU 120 Ca 0.27 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 3hxg h LEU 120 Cb 0.23 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3hxg h LEU 120 CO -0.21 -0.05 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.58 3hxg h LEU 121 N -0.04 -0.44 -0.73 2.25 4.07 -1.03 -1.66 115.31 117.73 3hxg h LEU 121 Ca 0.03 -0.11 -0.12 0.00 0.08 0.00 0.00 57.88 57.76 3hxg h LEU 121 Cb 0.09 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 3hxg h LEU 121 CO -0.08 -0.12 -0.37 0.16 -1.08 0.00 0.00 178.44 176.95 3hxg h ILE 122 N -0.79 1.29 0.00 1.22 -0.00 -0.72 -1.61 117.51 116.91 3hxg h ILE 122 Ca -0.05 -1.51 0.00 0.00 -0.00 0.00 0.00 64.86 63.30 3hxg h ILE 122 Cb 0.53 1.51 0.00 0.00 -0.00 0.00 0.00 36.82 38.86 3hxg h ILE 122 CO 0.09 0.48 0.00 0.61 -0.00 0.00 0.00 178.15 179.32 3hxg n GLY 123 N -0.09 -1.24 3.87 0.16 0.00 -0.43 -4.47 105.19 103.00 3hxg n GLY 123 Ca -0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 3hxg n GLY 123 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hxg n SER 124 N -1.36 -1.85 -2.47 1.61 2.88 -0.61 -4.85 113.62 106.98 3hxg n SER 124 Ca 0.10 -1.01 -0.27 0.00 -1.33 0.00 0.00 58.87 56.36 3hxg n SER 124 Cb 0.24 -3.13 -0.03 0.00 -0.75 0.00 0.00 64.21 60.54 3hxg n SER 124 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3hxg n ASP 125 N -2.87 6.63 -4.92 -3.46 2.03 -0.70 -4.87 116.55 108.38 3hxg n ASP 125 Ca -0.24 -3.28 -0.30 0.00 0.52 0.00 0.00 54.79 51.49 3hxg n ASP 125 Cb 0.66 -1.19 -0.04 0.00 -0.72 0.00 0.00 41.12 39.83 3hxg n ASP 125 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3hxg s TRP 126 N -2.05 3.49 0.36 -0.67 0.52 -1.26 -5.03 118.94 114.30 3hxg s TRP 126 Ca 0.55 0.37 0.05 0.00 0.02 0.00 0.00 56.10 57.09 3hxg s TRP 126 Cb 0.38 -1.86 0.68 0.00 -1.15 0.00 0.00 33.47 31.51 3hxg s TRP 126 CO -0.21 0.47 1.94 -0.44 0.02 0.00 0.00 176.95 178.73 3hxg h ASP 127 N 2.61 0.51 -4.13 2.95 3.32 -1.98 -3.45 116.42 116.25 3hxg h ASP 127 Ca -0.46 -0.06 -0.45 0.00 0.02 0.00 0.00 57.03 56.08 3hxg h ASP 127 Cb 1.17 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.40 3hxg h ASP 127 CO 0.72 0.50 -0.78 0.42 -1.72 0.00 0.00 179.24 178.38 3hxg s THR 128 N -5.19 1.38 0.24 0.35 -4.23 -1.26 -5.05 115.64 101.88 3hxg s THR 128 Ca -0.08 -1.61 -0.06 0.00 -1.18 0.00 0.00 61.69 58.76 3hxg s THR 128 Cb 0.16 -1.45 0.21 0.00 1.34 0.00 0.00 72.50 72.76 3hxg s THR 128 CO 0.76 -0.31 1.86 0.44 -0.54 0.00 0.00 174.62 176.83 3hxg h ASP 129 N 3.77 0.87 -0.62 3.99 3.32 -1.99 -2.84 116.42 122.91 3hxg h ASP 129 Ca -0.41 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.65 3hxg h ASP 129 Cb 1.19 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 3hxg h ASP 129 CO 0.46 0.57 0.39 -0.08 -1.72 0.00 0.00 179.24 178.86 3hxg h GLU 130 N 1.01 0.83 -0.73 3.56 4.57 -1.99 -1.18 114.58 120.65 3hxg h GLU 130 Ca 0.37 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 3hxg h GLU 130 Cb 0.12 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3hxg h GLU 130 CO -0.16 0.58 0.38 0.93 -1.18 0.00 0.00 179.01 179.57 3hxg h GLU 131 N 0.85 1.03 -0.58 1.92 5.08 -1.87 -2.69 114.58 118.32 3hxg h GLU 131 Ca 0.23 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3hxg h GLU 131 Cb -0.05 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3hxg h GLU 131 CO -0.04 0.78 0.02 0.22 -1.00 0.00 0.00 179.01 178.99 3hxg h ASP 132 N 1.01 0.97 -0.20 1.42 3.58 -1.27 -2.51 116.42 119.42 3hxg h ASP 132 Ca 0.26 -0.26 0.06 0.00 0.42 0.00 0.00 57.03 57.51 3hxg h ASP 132 Cb 0.06 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 3hxg h ASP 132 CO -0.04 1.01 0.15 0.03 -2.88 0.00 0.00 179.24 177.52 3hxg h ARG 133 N 0.92 0.00 0.00 0.28 3.08 -0.95 -2.19 114.38 115.53 3hxg h ARG 133 Ca 0.17 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 3hxg h ARG 133 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3hxg h ARG 133 CO 0.02 0.00 -0.56 1.96 -1.07 0.00 0.00 179.97 180.32 3hxg h GLN 134 N 0.00 0.00 -6.44 0.04 1.08 -1.15 -3.46 115.11 105.18 3hxg h GLN 134 Ca 0.10 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.76 3hxg h GLN 134 Cb 0.40 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3hxg h GLN 134 CO -0.00 0.56 0.86 0.42 -0.95 0.00 0.00 178.83 179.72 3hxg s ILE 135 N -3.46 3.39 -0.22 2.54 -1.09 -0.82 -0.26 121.20 121.27 3hxg s ILE 135 Ca -0.00 0.86 -0.15 0.00 -2.23 0.00 0.00 60.65 59.13 3hxg s ILE 135 Cb 0.11 -3.55 -0.09 0.00 -1.58 0.00 0.00 42.46 37.35 3hxg s ILE 135 CO 0.74 0.02 -0.34 0.00 -1.23 0.00 0.00 174.94 174.12 3hxg n GLY 137 N 1.42 0.49 3.26 0.00 0.00 -1.16 -1.46 105.19 107.74 3hxg n GLY 137 Ca -0.34 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 3hxg n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxg s ALA 138 N -1.19 1.60 -0.04 4.61 0.00 0.90 -0.79 121.76 126.86 3hxg s ALA 138 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3hxg s ALA 138 Cb -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3hxg s ALA 138 CO -0.00 0.15 -0.01 0.08 0.00 0.00 0.00 175.76 175.98 3hxg s VAL 139 N -1.99 0.29 -0.22 0.00 1.01 -0.07 -0.93 120.40 118.49 3hxg s VAL 139 Ca 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 3hxg s VAL 139 Cb -0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3hxg s VAL 139 CO 0.04 0.18 0.02 0.12 0.00 0.00 0.00 175.10 175.46 3hxg s PHE 140 N 1.12 3.06 -0.33 5.22 5.36 0.50 -1.23 117.98 131.67 3hxg s PHE 140 Ca -0.08 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.45 3hxg s PHE 140 Cb -0.14 -2.13 0.10 0.00 -0.34 0.00 0.00 43.02 40.51 3hxg s PHE 140 CO -0.02 -0.28 0.08 -0.65 -1.46 0.00 0.00 175.22 172.89 3hxg s GLN 141 N 1.19 1.16 -0.06 10.12 -0.21 0.59 -1.34 119.66 131.12 3hxg s GLN 141 Ca 0.03 -1.56 -0.30 0.00 0.02 0.00 0.00 55.36 53.56 3hxg s GLN 141 Cb -0.14 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.16 3hxg s GLN 141 CO 0.02 -0.97 1.09 -1.25 -2.12 0.00 0.00 175.29 172.06 3hxg s PRO 142 N 1.16 4.42 -0.01 2.91 0.04 -1.26 -0.57 135.00 141.69 3hxg s PRO 142 Ca 0.11 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.69 3hxg s PRO 142 Cb -0.19 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.84 3hxg s PRO 142 CO -0.15 -0.32 -0.02 1.03 0.04 0.00 0.00 177.00 177.58 3hxg s ARG 143 N 1.86 0.23 0.38 4.56 1.81 -1.26 -1.24 118.95 125.29 3hxg s ARG 143 Ca 0.53 -0.06 0.08 0.00 -1.72 0.00 0.00 55.73 54.55 3hxg s ARG 143 Cb -0.22 -0.26 0.81 0.00 -0.45 0.00 0.00 34.95 34.83 3hxg s ARG 143 CO 0.22 0.02 1.98 0.66 -0.68 0.00 0.00 175.30 177.50 3hxg h SER 144 N 6.30 0.58 0.99 0.23 4.64 -1.97 -1.92 113.55 122.39 3hxg h SER 144 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3hxg h SER 144 Cb 1.19 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hxg h SER 144 CO 0.50 0.38 0.00 0.54 -0.87 0.00 0.00 176.83 177.38 3hxg n ARG 145 N -4.48 0.17 0.00 4.77 3.00 -1.26 -4.90 116.66 113.96 3hxg n ARG 145 Ca 0.09 0.28 0.00 0.00 -0.01 0.00 0.00 57.85 58.21 3hxg n ARG 145 Cb 0.23 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 30.94 3hxg n ARG 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hxg n GLY 146 N 0.64 3.43 3.82 -0.13 0.00 -0.73 -5.15 105.19 107.07 3hxg n GLY 146 Ca 0.04 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 3hxg n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hxg s SER 147 N 0.00 5.49 -0.01 1.61 0.01 -1.21 -4.41 113.70 115.18 3hxg s SER 147 Ca 0.00 1.64 0.03 0.00 1.31 0.00 0.00 55.95 58.93 3hxg s SER 147 Cb 0.00 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 3hxg s SER 147 CO 0.00 -1.37 -0.10 -0.54 0.41 0.00 0.00 173.24 171.64 3hxg s LYS 148 N -4.89 0.81 0.04 12.44 1.02 0.26 -1.52 119.74 127.90 3hxg s LYS 148 Ca 0.59 -0.34 0.09 0.00 0.02 0.00 0.00 55.97 56.33 3hxg s LYS 148 Cb -0.14 -0.78 -0.03 0.00 -0.52 0.00 0.00 37.83 36.36 3hxg s LYS 148 CO 0.52 0.19 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.39 3hxg s LEU 149 N -0.15 2.30 0.02 3.17 1.02 -0.42 -0.30 118.68 124.32 3hxg s LEU 149 Ca 0.03 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.64 3hxg s LEU 149 Cb -0.05 -1.36 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 3hxg s LEU 149 CO -0.00 0.26 -0.04 -0.44 0.02 0.00 0.00 176.35 176.15 3hxg s SER 150 N -1.28 0.34 -0.17 2.29 0.01 -0.36 0.48 113.70 115.01 3hxg s SER 150 Ca 0.12 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.97 3hxg s SER 150 Cb -0.10 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.21 3hxg s SER 150 CO 0.03 -0.23 -0.18 -0.69 0.41 0.00 0.00 173.24 172.58 3hxg s VAL 151 N -1.20 2.30 -0.05 3.43 1.01 -0.55 -0.90 120.40 124.44 3hxg s VAL 151 Ca -0.12 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.79 3hxg s VAL 151 Cb -0.08 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3hxg s VAL 151 CO -0.01 0.53 0.54 0.26 0.00 0.00 0.00 175.10 176.42 3hxg s TRP 152 N 1.10 3.62 0.24 5.22 0.52 0.03 -0.58 118.94 129.09 3hxg s TRP 152 Ca 0.00 1.08 0.11 0.00 0.02 0.00 0.00 56.10 57.31 3hxg s TRP 152 Cb -0.14 -2.57 -0.05 0.00 -1.15 0.00 0.00 33.47 29.56 3hxg s TRP 152 CO -0.07 0.30 -0.18 -0.51 0.02 0.00 0.00 176.95 176.51 3hxg s LEU 153 N 0.07 2.65 0.23 2.99 1.43 0.18 -0.61 118.68 125.62 3hxg s LEU 153 Ca 0.29 -0.90 0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3hxg s LEU 153 Cb -0.17 -1.24 0.07 0.00 0.03 0.00 0.00 46.19 44.87 3hxg s LEU 153 CO 0.14 0.06 1.43 0.00 0.23 0.00 0.00 176.35 178.22 3hxg h THR 154 N 2.53 1.26 -2.03 5.49 1.03 -0.81 -2.42 112.91 117.95 3hxg h THR 154 Ca -0.43 -2.59 -0.59 0.00 -0.01 0.00 0.00 66.41 62.79 3hxg h THR 154 Cb 1.24 2.50 -0.13 0.00 -1.07 0.00 0.00 68.15 70.68 3hxg h THR 154 CO 0.56 0.68 -0.63 -0.94 -0.01 0.00 0.00 175.52 175.18 3hxg s SER 155 N -6.59 3.46 0.00 0.00 1.04 -1.26 -3.20 113.70 107.16 3hxg s SER 155 Ca 0.02 -1.32 0.02 0.00 0.48 0.00 0.00 55.95 55.15 3hxg s SER 155 Cb 0.09 -0.31 0.04 0.00 0.10 0.00 0.00 66.02 65.95 3hxg s SER 155 CO 0.77 -0.42 0.91 -0.90 0.98 0.00 0.00 173.24 174.58 3hxg n ASP 156 N -0.84 1.88 0.00 7.02 5.68 -1.03 -3.60 116.55 125.66 3hxg n ASP 156 Ca -0.05 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 3hxg n ASP 156 Cb 0.66 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 3hxg n ASP 156 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3hxg n ASN 157 N -0.20 0.15 -3.81 -1.12 0.23 -1.26 -4.87 115.26 104.39 3hxg n ASN 157 Ca 0.02 -1.05 -0.42 0.00 -0.53 0.00 0.00 54.58 52.59 3hxg n ASN 157 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 3hxg n ASN 157 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3hxg n GLU 158 N -0.03 3.19 -0.21 -3.83 -0.58 -1.26 -4.86 120.64 113.07 3hxg n GLU 158 Ca 0.00 -3.02 -0.07 0.00 -0.42 0.00 0.00 57.16 53.65 3hxg n GLU 158 Cb 0.35 -3.13 -0.02 0.00 -0.57 0.00 0.00 31.44 28.07 3hxg n GLU 158 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3hxg h GLU 159 N 5.92 -0.20 -0.45 3.49 4.81 -1.99 0.56 114.58 126.72 3hxg h GLU 159 Ca 0.49 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 3hxg h GLU 159 Cb 0.64 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3hxg h GLU 159 CO 1.77 -0.13 0.23 1.49 -0.73 0.00 0.00 179.01 181.63 3hxg h GLU 160 N -0.20 0.65 -0.14 1.92 4.81 -1.99 -0.09 114.58 119.53 3hxg h GLU 160 Ca 0.20 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3hxg h GLU 160 Cb 0.56 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3hxg h GLU 160 CO -0.69 0.54 -0.13 1.15 -0.73 0.00 0.00 179.01 179.14 3hxg h THR 161 N 0.59 1.35 -0.53 0.32 2.02 -1.77 -2.12 112.91 112.76 3hxg h THR 161 Ca 0.16 -1.28 0.09 0.00 0.77 0.00 0.00 66.41 66.14 3hxg h THR 161 Cb 0.10 1.88 -0.07 0.00 -1.74 0.00 0.00 68.15 68.32 3hxg h THR 161 CO -0.02 0.37 0.15 0.40 0.37 0.00 0.00 175.52 176.79 3hxg h ILE 162 N -0.05 0.75 -0.43 3.11 2.04 -0.82 -1.96 117.51 120.16 3hxg h ILE 162 Ca 0.02 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 3hxg h ILE 162 Cb 0.65 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3hxg h ILE 162 CO 0.03 0.06 -0.13 -0.07 0.00 0.00 0.00 178.15 178.03 3hxg h LEU 163 N 0.31 0.79 -0.92 1.44 3.38 -0.92 -1.64 115.31 117.75 3hxg h LEU 163 Ca 0.27 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3hxg h LEU 163 Cb 0.34 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3hxg h LEU 163 CO -0.31 0.94 -0.45 0.77 0.09 0.00 0.00 178.44 179.48 3hxg h SER 164 N 0.71 0.22 -0.42 -0.43 4.64 -1.15 -1.24 113.55 115.87 3hxg h SER 164 Ca 0.12 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3hxg h SER 164 Cb 0.63 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3hxg h SER 164 CO 0.04 0.64 0.08 0.40 -0.87 0.00 0.00 176.83 177.13 3hxg h ILE 165 N 0.17 1.24 -0.55 0.95 2.04 -1.11 -1.53 117.51 118.71 3hxg h ILE 165 Ca 0.01 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 3hxg h ILE 165 Cb 0.86 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3hxg h ILE 165 CO 0.07 0.29 0.24 1.23 0.00 0.00 0.00 178.15 179.98 3hxg h GLY 166 N 0.55 0.86 0.88 5.37 0.00 -1.08 -1.10 103.07 108.55 3hxg h GLY 166 Ca 0.13 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.03 3hxg h GLY 166 CO 0.01 0.43 0.11 0.07 0.00 0.00 0.00 176.54 177.15 3hxg h ARG 167 N 0.74 0.22 -0.75 4.80 -0.00 -1.18 -2.29 114.38 115.93 3hxg h ARG 167 Ca 0.19 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 60.15 3hxg h ARG 167 Cb 0.16 -0.05 -0.04 0.00 -0.00 0.00 0.00 29.97 30.04 3hxg h ARG 167 CO -0.02 0.15 0.46 -0.09 -0.00 0.00 0.00 179.97 180.47 3hxg h ARG 168 N 0.23 1.02 -0.41 0.08 9.65 -1.05 -1.82 114.38 122.08 3hxg h ARG 168 Ca 0.10 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 3hxg h ARG 168 Cb 0.04 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 28.36 3hxg h ARG 168 CO -0.07 0.72 0.18 0.82 2.80 0.00 0.00 179.97 184.42 3hxg h ILE 169 N 1.03 0.93 -0.81 1.20 2.04 -1.06 -0.72 117.51 120.12 3hxg h ILE 169 Ca 0.27 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 3hxg h ILE 169 Cb -0.04 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3hxg h ILE 169 CO -0.05 0.07 0.38 0.11 0.00 0.00 0.00 178.15 178.66 3hxg h LYS 170 N 0.37 1.17 0.78 2.37 1.57 -1.11 -0.13 116.57 121.58 3hxg h LYS 170 Ca 0.18 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3hxg h LYS 170 Cb 0.12 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.23 3hxg h LYS 170 CO -0.15 0.90 -0.37 0.93 -0.57 0.00 0.00 179.45 180.19 3hxg h GLU 171 N 1.15 -1.01 -0.76 3.15 5.08 -0.97 0.27 114.58 121.49 3hxg h GLU 171 Ca 0.28 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 3hxg h GLU 171 Cb 0.12 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3hxg h GLU 171 CO -0.03 -0.67 0.42 0.00 -1.00 0.00 0.00 179.01 177.73 3hxg h ARG 172 N -1.05 1.05 -0.02 2.33 2.47 -0.97 -2.22 114.38 115.97 3hxg h ARG 172 Ca -0.11 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 3hxg h ARG 172 Cb 0.80 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 3hxg h ARG 172 CO 0.18 0.77 -0.07 1.28 0.56 0.00 0.00 179.97 182.69 3hxg n LEU 173 N -4.36 1.59 -3.65 3.04 4.32 -0.08 -4.92 117.00 112.94 3hxg n LEU 173 Ca 0.08 -0.52 -0.21 0.00 -0.02 0.00 0.00 56.01 55.34 3hxg n LEU 173 Cb 0.09 -0.02 0.05 0.00 -1.62 0.00 0.00 43.42 41.92 3hxg n LEU 173 CO 0.38 0.27 0.01 -0.62 -1.22 0.00 0.00 177.39 176.21 3hxg n GLU 174 N 0.14 -5.59 -3.13 3.23 1.02 -0.10 -4.94 120.64 111.26 3hxg n GLU 174 Ca 0.17 0.69 -0.39 0.00 -0.02 0.00 0.00 57.16 57.60 3hxg n GLU 174 Cb 0.38 -5.42 -0.06 0.00 -0.02 0.00 0.00 31.44 26.32 3hxg n GLU 174 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hxg s LEU 175 N -6.70 4.50 -0.21 -4.62 1.43 -0.13 -4.99 118.68 107.95 3hxg s LEU 175 Ca 0.11 1.36 -0.16 0.00 -1.03 0.00 0.00 54.13 54.41 3hxg s LEU 175 Cb -0.05 -3.06 -0.08 0.00 0.03 0.00 0.00 46.19 43.02 3hxg s LEU 175 CO 0.79 0.16 -0.35 -1.84 0.23 0.00 0.00 176.35 175.34 3hxg n GLU 176 N 2.18 0.54 -1.82 1.70 -0.00 -1.26 -4.88 120.64 117.10 3hxg n GLU 176 Ca -0.07 0.22 -0.37 0.00 -0.00 0.00 0.00 57.16 56.94 3hxg n GLU 176 Cb 0.50 -1.43 0.05 0.00 -0.00 0.00 0.00 31.44 30.56 3hxg n GLU 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3hxg s ASP 177 N -6.49 4.95 0.21 -1.84 1.11 -1.26 -4.92 116.67 108.43 3hxg s ASP 177 Ca -0.32 2.62 -0.32 0.00 0.18 0.00 0.00 52.55 54.71 3hxg s ASP 177 Cb 0.08 -2.62 -0.14 0.00 1.07 0.00 0.00 42.92 41.31 3hxg s ASP 177 CO 0.44 -1.77 1.33 0.41 1.18 0.00 0.00 175.17 176.76 3hxg n THR 178 N -1.53 0.84 -4.02 -1.27 -1.04 -1.26 -5.01 114.28 100.98 3hxg n THR 178 Ca 0.14 -0.21 -0.28 0.00 -2.04 0.00 0.00 64.05 61.66 3hxg n THR 178 Cb 0.47 -1.24 -0.05 0.00 -1.82 0.00 0.00 70.33 67.70 3hxg n THR 178 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3hxg s ILE 179 N -0.03 4.80 -0.09 12.58 -4.36 -0.05 -4.75 121.20 129.30 3hxg s ILE 179 Ca 0.71 -0.85 0.03 0.00 -0.26 0.00 0.00 60.65 60.29 3hxg s ILE 179 Cb -0.73 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 39.57 3hxg s ILE 179 CO 0.50 -0.03 -0.20 -0.31 0.24 0.00 0.00 174.94 175.14 3hxg s TYR 180 N -1.65 2.21 -0.34 1.37 2.02 -0.87 -2.50 117.35 117.58 3hxg s TYR 180 Ca 0.32 -0.90 -0.15 0.00 -0.37 0.00 0.00 57.07 55.97 3hxg s TYR 180 Cb -0.11 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 3hxg s TYR 180 CO 0.25 -0.38 0.36 0.12 -1.57 0.00 0.00 175.55 174.32 3hxg s PHE 181 N 0.47 3.21 -0.23 2.71 5.36 -0.01 0.20 117.98 129.69 3hxg s PHE 181 Ca -0.17 -0.04 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 3hxg s PHE 181 Cb -0.17 -2.66 0.05 0.00 -0.34 0.00 0.00 43.02 39.89 3hxg s PHE 181 CO 0.07 -0.43 -0.14 -0.65 -1.46 0.00 0.00 175.22 172.60 3hxg s GLN 182 N 2.00 2.51 0.77 10.12 -0.21 0.34 -0.12 119.66 135.06 3hxg s GLN 182 Ca 0.11 -1.16 -0.15 0.00 0.02 0.00 0.00 55.36 54.18 3hxg s GLN 182 Cb -0.17 -2.78 0.05 0.00 1.00 0.00 0.00 33.01 31.12 3hxg s GLN 182 CO 0.12 -0.44 1.14 -2.30 -2.12 0.00 0.00 175.29 171.68 3hxg n PRO 183 N 4.50 0.40 -0.33 2.91 -0.02 -1.26 -1.11 135.00 140.09 3hxg n PRO 183 Ca -0.17 0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.60 3hxg n PRO 183 Cb 0.45 -2.39 0.25 0.00 -0.02 0.00 0.00 33.50 31.79 3hxg n PRO 183 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hxg h VAL 184 N -0.53 0.78 -0.82 -1.45 2.07 -1.56 -1.49 116.25 113.25 3hxg h VAL 184 Ca -0.47 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 66.90 3hxg h VAL 184 Cb 1.31 -0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 3hxg h VAL 184 CO 0.47 0.14 0.44 0.77 0.02 0.00 0.00 177.57 179.41 3hxg h SER 185 N 0.77 0.59 0.10 0.57 4.64 -1.86 -0.28 113.55 118.08 3hxg h SER 185 Ca 0.50 0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.74 3hxg h SER 185 Cb 0.66 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3hxg h SER 185 CO -0.34 0.30 -0.54 0.44 -0.87 0.00 0.00 176.83 175.82 3hxg h ASP 186 N 0.70 0.52 -0.35 4.97 3.32 -1.64 -2.38 116.42 121.55 3hxg h ASP 186 Ca 0.42 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3hxg h ASP 186 Cb 0.49 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3hxg h ASP 186 CO -0.30 0.96 0.08 1.56 -1.72 0.00 0.00 179.24 179.82 3hxg h GLN 187 N 0.36 0.57 -0.09 3.56 4.20 -0.83 -2.28 115.11 120.59 3hxg h GLN 187 Ca 0.01 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3hxg h GLN 187 Cb 1.07 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 3hxg h GLN 187 CO 0.10 0.62 0.04 -0.09 -0.67 0.00 0.00 178.83 178.83 3hxg h ARG 188 N 0.42 0.14 0.00 1.46 2.43 -1.00 -2.88 114.38 114.95 3hxg h ARG 188 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hxg h ARG 188 Cb 0.31 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3hxg h ARG 188 CO 0.00 0.23 0.00 0.66 -1.51 0.00 0.00 179.97 179.35 3hxg h SER 189 N 0.01 0.00 -2.31 -3.80 4.64 -1.47 -3.44 113.55 107.18 3hxg h SER 189 Ca 0.03 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.81 3hxg h SER 189 Cb 0.14 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3hxg h SER 189 CO -0.00 0.00 1.26 1.67 -0.87 0.00 0.00 176.83 178.89 3hxg n GLN 190 N -2.80 2.77 -2.59 4.77 -0.06 -0.86 -4.95 117.38 113.65 3hxg n GLN 190 Ca 0.01 0.99 -0.42 0.00 -2.00 0.00 0.00 57.00 55.59 3hxg n GLN 190 Cb 0.30 -3.03 -0.03 0.00 -4.06 0.00 0.00 30.24 23.42 3hxg n GLN 190 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3hxg s THR 191 N 4.89 4.56 0.26 1.69 2.01 -1.26 -4.99 115.64 122.80 3hxg s THR 191 Ca 0.90 1.84 -0.30 0.00 0.31 0.00 0.00 61.69 64.44 3hxg s THR 191 Cb -0.43 -4.18 -0.13 0.00 0.01 0.00 0.00 72.50 67.77 3hxg s THR 191 CO 0.42 0.07 1.37 0.54 -0.69 0.00 0.00 174.62 176.33 3hxg n ARG 192 N 4.50 2.03 0.00 4.92 1.74 -1.26 -2.39 116.66 126.19 3hxg n ARG 192 Ca 0.08 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 3hxg n ARG 192 Cb 0.48 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 3hxg n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hxg n GLY 193 N 1.85 3.39 3.77 -0.13 0.00 -1.26 -5.04 105.19 107.77 3hxg n GLY 193 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3hxg n GLY 193 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hxg s SER 194 N -0.92 6.59 -0.06 1.61 0.15 -1.01 -4.94 113.70 115.14 3hxg s SER 194 Ca 0.00 2.84 0.19 0.00 0.70 0.00 0.00 55.95 59.67 3hxg s SER 194 Cb 0.00 -2.66 0.64 0.00 -1.71 0.00 0.00 66.02 62.29 3hxg s SER 194 CO 0.00 -0.68 1.53 -0.90 1.20 0.00 0.00 173.24 174.39 3hxg n ASP 195 N 0.75 4.06 -4.72 5.45 5.75 -1.26 -4.94 116.55 121.64 3hxg n ASP 195 Ca 0.01 -2.22 -0.41 0.00 -0.01 0.00 0.00 54.79 52.16 3hxg n ASP 195 Cb 0.41 -0.51 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 3hxg n ASP 195 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3hxg s ILE 196 N -1.48 4.89 -0.21 2.12 -5.25 -1.26 -5.04 121.20 114.97 3hxg s ILE 196 Ca 0.46 1.78 -0.01 0.00 -0.99 0.00 0.00 60.65 61.89 3hxg s ILE 196 Cb 0.27 -4.19 0.06 0.00 2.95 0.00 0.00 42.46 41.55 3hxg s ILE 196 CO 0.27 0.23 -0.00 0.00 -1.79 0.00 0.00 174.94 173.65 3hxg s THR 198 N 1.67 0.09 0.02 0.00 -1.32 -1.26 -5.12 115.64 109.73 3hxg s THR 198 Ca -0.03 -1.55 -0.10 0.00 -1.21 0.00 0.00 61.69 58.81 3hxg s THR 198 Cb -0.18 -1.83 0.01 0.00 -1.51 0.00 0.00 72.50 68.99 3hxg s THR 198 CO -0.07 -0.43 0.19 -0.83 -2.21 0.00 0.00 174.62 171.28 3hxg s GLY 199 N -2.98 0.02 0.33 6.08 0.00 -1.26 -4.79 107.32 104.72 3hxg s GLY 199 Ca 0.17 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.75 3hxg s GLY 199 CO -0.01 -0.35 1.93 1.70 0.00 0.00 0.00 173.10 176.37 3hxg h LYS 200 N 3.70 0.88 -5.91 2.90 3.64 -0.92 -3.42 116.57 117.44 3hxg h LYS 200 Ca -0.31 -0.05 -0.51 0.00 -1.27 0.00 0.00 60.65 58.50 3hxg h LYS 200 Cb 1.19 -0.20 -0.19 0.00 -0.41 0.00 0.00 32.23 32.62 3hxg h LYS 200 CO 0.45 0.58 -0.79 0.71 -2.27 0.00 0.00 179.45 178.14 3hxg s TYR 201 N -5.80 1.74 -0.05 1.91 2.02 -1.22 -5.00 117.35 110.95 3hxg s TYR 201 Ca -0.11 -0.47 -0.04 0.00 -0.37 0.00 0.00 57.07 56.09 3hxg s TYR 201 Cb 0.20 -0.90 0.01 0.00 -0.40 0.00 0.00 41.96 40.87 3hxg s TYR 201 CO 0.79 0.26 0.12 -1.21 -1.57 0.00 0.00 175.55 173.95 3hxg s GLU 202 N -2.51 0.14 0.00 -0.62 2.02 -1.26 -0.83 118.70 115.64 3hxg s GLU 202 Ca 0.12 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.30 3hxg s GLU 202 Cb -0.07 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.21 3hxg s GLU 202 CO 0.05 -0.03 0.00 0.44 0.02 0.00 0.00 175.26 175.74