#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gwg s ILE 3 N 0.00 3.41 -0.47 1.39 1.01 0.03 -1.41 121.20 125.16 2gwg s ILE 3 Ca 0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 2gwg s ILE 3 Cb 0.00 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 40.01 2gwg s ILE 3 CO 0.00 0.44 0.38 -0.62 0.00 0.00 0.00 174.94 175.15 2gwg s ASP 4 N 1.19 6.12 0.00 3.58 -1.08 0.15 -4.54 116.67 122.09 2gwg s ASP 4 Ca 0.02 -1.30 0.18 0.00 -0.52 0.00 0.00 52.55 50.93 2gwg s ASP 4 Cb -0.14 -2.17 0.86 0.00 -1.46 0.00 0.00 42.92 40.00 2gwg s ASP 4 CO -0.01 -0.63 1.58 2.30 0.52 0.00 0.00 175.17 178.93 2gwg n ILE 5 N 5.19 0.10 -3.63 4.11 -5.35 -0.98 -0.47 119.36 118.32 2gwg n ILE 5 Ca -0.12 -0.15 -0.29 0.00 -0.27 0.00 0.00 62.75 61.93 2gwg n ILE 5 Cb 0.44 -0.01 -0.16 0.00 -1.74 0.00 0.00 39.64 38.18 2gwg n ILE 5 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2gwg s HIS 6 N -1.90 0.79 -0.26 4.28 2.46 -1.26 -4.62 115.29 114.77 2gwg s HIS 6 Ca 0.27 -1.02 -0.24 0.00 0.47 0.00 0.00 55.06 54.54 2gwg s HIS 6 Cb 0.13 -1.11 0.07 0.00 -0.13 0.00 0.00 32.58 31.55 2gwg s HIS 6 CO 0.21 -0.76 0.70 0.20 -2.47 0.00 0.00 174.74 172.63 2gwg s GLY 7 N 1.94 -0.53 0.16 1.59 0.00 -1.20 -0.90 107.32 108.37 2gwg s GLY 7 Ca 0.06 2.00 0.10 0.00 0.00 0.00 0.00 44.72 46.88 2gwg s GLY 7 CO -0.25 1.73 -0.18 0.30 0.00 0.00 0.00 173.10 174.70 2gwg s HIS 8 N 0.41 2.48 -1.28 1.90 3.76 -1.26 -1.50 115.29 119.80 2gwg s HIS 8 Ca -0.00 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.44 2gwg s HIS 8 Cb -0.05 -1.26 0.08 0.00 1.11 0.00 0.00 32.58 32.46 2gwg s HIS 8 CO 0.00 0.45 1.69 -0.47 -0.85 0.00 0.00 174.74 175.57 2gwg s TYR 9 N -1.46 2.87 -2.47 1.40 5.04 -0.41 -4.71 117.35 117.61 2gwg s TYR 9 Ca 0.20 -1.68 0.24 0.00 -2.44 0.00 0.00 57.07 53.40 2gwg s TYR 9 Cb -0.09 -4.70 0.74 0.00 0.35 0.00 0.00 41.96 38.26 2gwg s TYR 9 CO 0.11 -1.76 1.56 0.25 -1.34 0.00 0.00 175.55 174.37 2gwg n THR 10 N 6.17 0.15 -1.29 4.34 -2.24 -1.26 -4.13 114.28 116.02 2gwg n THR 10 Ca 0.47 -0.38 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 2gwg n THR 10 Cb 0.46 0.64 0.18 0.00 -2.10 0.00 0.00 70.33 69.51 2gwg n THR 10 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2gwg n THR 11 N 0.55 2.13 -1.61 4.28 -2.24 -1.26 -5.07 114.28 111.06 2gwg n THR 11 Ca 0.17 -2.63 -0.35 0.00 -2.27 0.00 0.00 64.05 58.98 2gwg n THR 11 Cb 0.41 -0.25 0.08 0.00 -2.10 0.00 0.00 70.33 68.46 2gwg n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gwg s ALA 12 N -3.04 2.26 0.51 6.98 0.00 -1.26 -4.77 121.76 122.43 2gwg s ALA 12 Ca 0.37 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 2gwg s ALA 12 Cb 0.33 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 2gwg s ALA 12 CO -0.00 -1.68 1.04 -2.30 0.00 0.00 0.00 175.76 172.82 2gwg n PRO 13 N -2.33 1.24 0.24 0.00 -0.02 -1.26 -4.83 135.00 128.04 2gwg n PRO 13 Ca 0.14 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 62.26 2gwg n PRO 13 Cb 0.50 -2.18 0.84 0.00 -0.02 0.00 0.00 33.50 32.64 2gwg n PRO 13 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2gwg h LYS 14 N 1.12 0.00 -0.32 -0.52 3.64 -2.00 -1.73 116.57 116.76 2gwg h LYS 14 Ca -0.47 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 2gwg h LYS 14 Cb 1.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 2gwg h LYS 14 CO 0.54 0.00 0.22 0.00 -2.27 0.00 0.00 179.45 177.94 2gwg h ALA 15 N 1.54 2.03 0.29 5.00 0.00 -1.93 -0.62 119.26 125.57 2gwg h ALA 15 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2gwg h ALA 15 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2gwg h ALA 15 CO -0.00 -0.09 -0.14 1.25 0.00 0.00 0.00 179.25 180.27 2gwg h LEU 16 N 0.21 -0.33 -1.16 0.00 5.85 -1.65 -1.59 115.31 116.65 2gwg h LEU 16 Ca 0.14 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2gwg h LEU 16 Cb 0.29 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2gwg h LEU 16 CO -0.02 -0.02 0.27 -0.08 -0.34 0.00 0.00 178.44 178.24 2gwg h GLU 17 N -0.65 0.85 -0.59 1.25 4.81 -1.62 -1.90 114.58 116.74 2gwg h GLU 17 Ca -0.04 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2gwg h GLU 17 Cb 0.46 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2gwg h GLU 17 CO 0.07 0.68 0.39 -0.44 -0.73 0.00 0.00 179.01 178.97 2gwg h ASP 18 N 0.85 0.68 -0.69 1.04 3.32 -1.03 -0.43 116.42 120.15 2gwg h ASP 18 Ca 0.21 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2gwg h ASP 18 Cb 0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2gwg h ASP 18 CO -0.02 0.49 0.34 -0.25 -1.72 0.00 0.00 179.24 178.08 2gwg h TRP 19 N 0.80 0.99 -0.51 4.55 7.01 -0.75 -2.03 115.95 126.02 2gwg h TRP 19 Ca 0.21 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.17 2gwg h TRP 19 Cb -0.09 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.64 2gwg h TRP 19 CO -0.03 0.73 0.32 -0.09 -2.79 0.00 0.00 178.44 176.58 2gwg h ARG 20 N 0.96 0.68 -0.73 2.65 9.65 -0.81 -0.33 114.38 126.46 2gwg h ARG 20 Ca 0.24 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.08 2gwg h ARG 20 Cb 0.10 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 2gwg h ARG 20 CO -0.03 0.48 0.48 -0.91 2.80 0.00 0.00 179.97 182.79 2gwg h ASN 21 N 0.68 0.81 -0.33 -3.80 2.35 -0.67 0.10 115.58 114.73 2gwg h ASN 21 Ca 0.18 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 2gwg h ASN 21 Cb -0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2gwg h ASN 21 CO -0.04 0.58 -0.09 0.03 -1.65 0.00 0.00 177.43 176.27 2gwg h ARG 22 N 0.96 0.63 -0.07 0.81 3.08 -0.73 -1.26 114.38 117.80 2gwg h ARG 22 Ca 0.27 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2gwg h ARG 22 Cb -0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2gwg h ARG 22 CO -0.07 0.82 0.05 0.37 -1.07 0.00 0.00 179.97 180.07 2gwg h GLN 23 N 0.41 0.09 -0.54 0.04 4.15 -0.16 0.12 115.11 119.22 2gwg h GLN 23 Ca 0.08 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.50 2gwg h GLN 23 Cb 0.59 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 2gwg h GLN 23 CO 0.03 0.06 0.36 0.82 -1.93 0.00 0.00 178.83 178.17 2gwg h ILE 24 N 0.09 1.13 0.00 2.39 2.04 -0.81 -0.98 117.51 121.37 2gwg h ILE 24 Ca 0.03 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2gwg h ILE 24 Cb -0.01 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2gwg h ILE 24 CO -0.01 0.13 -0.20 0.00 0.00 0.00 0.00 178.15 178.07 2gwg h ALA 25 N 1.21 1.42 0.00 1.87 0.00 -0.95 -2.25 119.26 120.56 2gwg h ALA 25 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2gwg h ALA 25 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2gwg h ALA 25 CO -0.05 0.25 0.00 0.78 0.00 0.00 0.00 179.25 180.23 2gwg h GLY 26 N 0.87 0.00 0.89 0.00 0.00 0.61 -1.70 103.07 103.74 2gwg h GLY 26 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2gwg h GLY 26 CO 0.03 0.00 0.09 -2.22 0.00 0.00 0.00 176.54 174.43 2gwg h ILE 27 N 0.00 1.18 0.00 2.60 2.04 -1.04 -2.12 117.51 120.16 2gwg h ILE 27 Ca 0.00 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 2gwg h ILE 27 Cb 0.57 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2gwg h ILE 27 CO 0.00 0.18 -1.15 0.29 0.00 0.00 0.00 178.15 177.47 2gwg n LYS 28 N -4.78 0.61 -3.65 2.37 4.76 -1.20 -4.57 118.16 111.71 2gwg n LYS 28 Ca -0.03 0.11 -0.28 0.00 -2.87 0.00 0.00 58.31 55.23 2gwg n LYS 28 Cb 0.14 -1.80 -0.12 0.00 -1.84 0.00 0.00 35.03 31.41 2gwg n LYS 28 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2gwg s ASP 29 N -5.35 3.23 0.00 4.39 -1.08 -0.64 -4.96 116.67 112.25 2gwg s ASP 29 Ca -0.02 -3.02 0.00 0.00 -0.52 0.00 0.00 52.55 49.00 2gwg s ASP 29 Cb 0.10 -0.96 0.00 0.00 -1.46 0.00 0.00 42.92 40.60 2gwg s ASP 29 CO 0.80 -0.20 0.93 -0.81 0.52 0.00 0.00 175.17 176.42 2gwg n PRO 30 N 3.00 0.00 0.22 4.34 -0.04 -0.81 -1.29 135.00 140.42 2gwg n PRO 30 Ca 0.18 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 64.18 2gwg n PRO 30 Cb 0.39 -1.56 0.35 0.00 -0.04 0.00 0.00 33.50 32.63 2gwg n PRO 30 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2gwg h SER 31 N 0.00 0.00 -3.62 3.54 0.87 -1.93 -3.48 113.55 108.93 2gwg h SER 31 Ca 0.00 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.86 2gwg h SER 31 Cb 0.12 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 61.82 2gwg h SER 31 CO 0.00 0.16 -0.55 0.68 -0.53 0.00 0.00 176.83 176.59 2gwg s VAL 32 N -3.40 4.31 0.08 2.23 -7.23 -0.41 -5.13 120.40 110.85 2gwg s VAL 32 Ca 0.03 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.30 2gwg s VAL 32 Cb 0.08 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.59 2gwg s VAL 32 CO 0.64 -0.17 0.01 -2.16 -0.31 0.00 0.00 175.10 173.11 2gwg s PRO 34 N 1.51 0.73 -0.04 4.82 0.04 -1.26 -4.63 135.00 136.17 2gwg s PRO 34 Ca 0.01 -1.28 -0.03 0.00 0.04 0.00 0.00 61.00 59.75 2gwg s PRO 34 Cb -0.19 0.23 -0.04 0.00 0.04 0.00 0.00 34.50 34.54 2gwg s PRO 34 CO 0.05 -0.17 0.12 0.15 0.04 0.00 0.00 177.00 177.19 2gwg s LYS 35 N -3.96 3.26 0.26 4.56 1.02 -1.26 -4.98 119.74 118.64 2gwg s LYS 35 Ca 0.12 -0.35 -0.03 0.00 0.02 0.00 0.00 55.97 55.74 2gwg s LYS 35 Cb 0.08 -3.00 0.43 0.00 -0.52 0.00 0.00 37.83 34.81 2gwg s LYS 35 CO -0.06 0.69 1.83 0.28 -0.92 0.00 0.00 175.35 177.17 2gwg h VAL 36 N 3.32 0.95 0.00 3.17 2.07 -2.00 -0.16 116.25 123.60 2gwg h VAL 36 Ca -0.50 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2gwg h VAL 36 Cb 1.19 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2gwg h VAL 36 CO 0.63 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 176.85 2gwg n SER 37 N -4.66 0.33 0.22 0.57 3.41 -1.26 -1.49 113.62 110.73 2gwg n SER 37 Ca 0.15 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 2gwg n SER 37 Cb 0.27 -0.68 0.19 0.00 -0.26 0.00 0.00 64.21 63.73 2gwg n SER 37 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2gwg h GLU 38 N 0.00 0.00 -6.21 4.33 5.08 -1.42 -3.43 114.58 112.93 2gwg h GLU 38 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2gwg h GLU 38 Cb 0.09 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2gwg h GLU 38 CO 0.00 0.03 0.86 -1.17 -1.00 0.00 0.00 179.01 177.73 2gwg s LEU 39 N -6.22 4.03 -0.15 1.33 2.96 -0.56 -5.00 118.68 115.07 2gwg s LEU 39 Ca 0.07 1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 55.28 2gwg s LEU 39 Cb 0.05 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.24 2gwg s LEU 39 CO 0.67 -0.82 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.30 2gwg s LYS 40 N 3.55 1.32 -0.08 1.98 1.02 -1.26 -5.08 119.74 121.19 2gwg s LYS 40 Ca 0.48 -0.41 -0.00 0.00 0.02 0.00 0.00 55.97 56.07 2gwg s LYS 40 Cb -0.16 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.33 2gwg s LYS 40 CO 0.13 -0.41 -0.05 0.42 -0.92 0.00 0.00 175.35 174.53 2gwg s ILE 41 N 1.69 0.72 0.62 2.17 1.01 -1.26 -4.96 121.20 121.19 2gwg s ILE 41 Ca 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 2gwg s ILE 41 Cb -0.15 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.56 2gwg s ILE 41 CO -0.08 0.30 0.95 -0.94 0.00 0.00 0.00 174.94 175.18 2gwg s SER 42 N 1.51 5.58 0.32 3.58 1.04 -1.26 -4.94 113.70 119.53 2gwg s SER 42 Ca -0.01 0.85 0.03 0.00 0.48 0.00 0.00 55.95 57.30 2gwg s SER 42 Cb -0.13 -1.80 0.53 0.00 0.10 0.00 0.00 66.02 64.72 2gwg s SER 42 CO -0.04 -1.12 1.84 0.44 0.98 0.00 0.00 173.24 175.33 2gwg h ASP 43 N -0.30 0.54 -0.51 7.02 3.32 -2.01 -1.66 116.42 122.82 2gwg h ASP 43 Ca -0.45 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.50 2gwg h ASP 43 Cb 1.25 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 2gwg h ASP 43 CO 0.62 0.63 0.31 0.44 -1.72 0.00 0.00 179.24 179.52 2gwg h ASP 44 N 0.54 0.52 -0.54 6.45 3.45 -1.99 0.48 116.42 125.32 2gwg h ASP 44 Ca 0.11 -0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.49 2gwg h ASP 44 Cb 0.39 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 2gwg h ASP 44 CO 0.02 0.37 0.04 -0.33 -1.57 0.00 0.00 179.24 177.76 2gwg h GLU 45 N 0.63 0.97 0.10 3.56 5.08 -1.86 -1.07 114.58 121.98 2gwg h GLU 45 Ca 0.20 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2gwg h GLU 45 Cb -0.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2gwg h GLU 45 CO -0.07 0.93 -0.05 1.25 -1.00 0.00 0.00 179.01 180.07 2gwg h LEU 46 N 0.90 -0.11 -0.90 1.33 5.85 -0.61 -1.95 115.31 119.83 2gwg h LEU 46 Ca 0.17 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.75 2gwg h LEU 46 Cb 0.48 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 2gwg h LEU 46 CO 0.02 0.14 0.57 1.56 -0.34 0.00 0.00 178.44 180.39 2gwg h GLN 47 N -0.37 1.00 -0.68 1.25 4.20 0.07 -2.09 115.11 118.50 2gwg h GLN 47 Ca -0.01 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2gwg h GLN 47 Cb 0.31 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2gwg h GLN 47 CO 0.02 0.66 0.19 0.00 -0.67 0.00 0.00 178.83 179.03 2gwg h ALA 48 N 1.42 0.89 -0.11 3.87 0.00 -1.10 0.03 119.26 124.27 2gwg h ALA 48 Ca 0.39 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2gwg h ALA 48 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2gwg h ALA 48 CO -0.18 0.59 -0.11 0.66 0.00 0.00 0.00 179.25 180.21 2gwg h SER 49 N 1.00 0.16 0.00 0.00 4.64 -0.67 -2.73 113.55 115.94 2gwg h SER 49 Ca 0.22 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 2gwg h SER 49 Cb 0.33 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2gwg h SER 49 CO -0.00 0.30 -0.64 0.40 -0.87 0.00 0.00 176.83 176.01 2gwg h ILE 50 N 0.16 1.02 -0.89 0.95 1.08 -1.16 -3.26 117.51 115.41 2gwg h ILE 50 Ca 0.04 -1.99 0.11 0.00 -0.39 0.00 0.00 64.86 62.62 2gwg h ILE 50 Cb 0.31 2.15 -0.08 0.00 -3.07 0.00 0.00 36.82 36.13 2gwg h ILE 50 CO 0.02 0.35 0.53 0.40 -0.69 0.00 0.00 178.15 178.75 2gwg h ILE 51 N -1.00 0.91 0.00 -0.67 2.04 -1.04 -0.83 117.51 116.92 2gwg h ILE 51 Ca -0.16 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2gwg h ILE 51 Cb 0.99 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2gwg h ILE 51 CO -0.10 0.16 -0.04 -0.62 0.00 0.00 0.00 178.15 177.55 2gwg n GLU 52 N -4.70 0.27 0.00 2.37 1.02 -1.03 -3.17 120.64 115.40 2gwg n GLU 52 Ca 0.16 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2gwg n GLU 52 Cb 0.31 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2gwg n GLU 52 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2gwg n ASN 53 N -2.28 0.00 -0.20 1.62 3.02 -0.71 -4.74 115.26 111.96 2gwg n ASN 53 Ca 0.05 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.59 2gwg n ASN 53 Cb 0.43 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.66 2gwg n ASN 53 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2gwg h GLN 54 N 0.00 -0.00 -0.57 3.52 7.50 -1.73 -0.91 115.11 122.92 2gwg h GLN 54 Ca 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 2gwg h GLN 54 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 2gwg h GLN 54 CO 0.00 -0.00 0.34 1.25 -1.50 0.00 0.00 178.83 178.92 2gwg h LEU 55 N -0.00 0.68 -0.30 1.46 5.85 -1.43 -2.87 115.31 118.70 2gwg h LEU 55 Ca 0.29 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2gwg h LEU 55 Cb 0.44 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2gwg h LEU 55 CO -0.62 0.54 0.17 0.50 -0.34 0.00 0.00 178.44 178.70 2gwg h LYS 56 N 0.76 0.41 -1.77 1.25 3.64 -1.28 -2.10 116.57 117.49 2gwg h LYS 56 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2gwg h LYS 56 Cb -0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2gwg h LYS 56 CO -0.04 0.33 0.00 1.63 -2.27 0.00 0.00 179.45 179.10 2gwg n LYS 57 N -4.83 0.32 0.00 1.90 5.02 -0.43 -1.82 118.16 118.31 2gwg n LYS 57 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2gwg n LYS 57 Cb 0.06 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2gwg n LYS 57 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2gwg n GLN 59 N 1.11 0.00 0.17 1.97 6.02 -0.79 -0.70 117.38 125.16 2gwg n GLN 59 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 2gwg n GLN 59 Cb 0.16 0.00 0.31 0.00 1.02 0.00 0.00 30.24 31.73 2gwg n GLN 59 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2gwg h GLU 60 N 0.00 0.00 -0.00 -1.09 5.08 -1.63 -3.20 114.58 113.74 2gwg h GLU 60 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gwg h GLU 60 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2gwg h GLU 60 CO 0.00 0.44 -0.78 0.54 -1.00 0.00 0.00 179.01 178.21 2gwg n ARG 61 N -3.89 0.07 -1.88 2.33 1.74 0.12 -4.99 116.66 110.16 2gwg n ARG 61 Ca -0.01 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2gwg n ARG 61 Cb 0.48 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2gwg n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gwg n GLY 62 N 1.49 0.80 3.69 -0.13 0.00 -1.21 -4.96 105.19 104.88 2gwg n GLY 62 Ca 0.05 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 2gwg n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gwg s SER 63 N -2.84 5.34 -0.23 1.61 0.15 -1.26 -4.75 113.70 111.72 2gwg s SER 63 Ca 0.00 0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.84 2gwg s SER 63 Cb 0.00 -1.56 -0.16 0.00 -1.71 0.00 0.00 66.02 62.59 2gwg s SER 63 CO 0.00 0.36 -0.19 0.47 1.20 0.00 0.00 173.24 175.09 2gwg n ASP 64 N 2.24 1.98 -3.80 5.45 8.00 -0.50 -4.44 116.55 125.48 2gwg n ASP 64 Ca -0.19 -0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.07 2gwg n ASP 64 Cb 0.54 -0.25 -0.13 0.00 -0.02 0.00 0.00 41.12 41.25 2gwg n ASP 64 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2gwg s LEU 65 N -6.30 1.27 -0.05 0.64 2.96 -0.74 -4.24 118.68 112.21 2gwg s LEU 65 Ca -0.30 0.26 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 2gwg s LEU 65 Cb 0.08 0.40 -0.02 0.00 0.50 0.00 0.00 46.19 47.16 2gwg s LEU 65 CO 0.57 -0.08 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.40 2gwg s THR 66 N 0.42 2.22 -0.49 3.68 2.01 -0.25 0.31 115.64 123.54 2gwg s THR 66 Ca -0.03 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 60.71 2gwg s THR 66 Cb -0.04 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 70.69 2gwg s THR 66 CO -0.02 0.57 0.89 -0.69 -0.69 0.00 0.00 174.62 174.68 2gwg s VAL 67 N -0.33 4.50 -0.29 3.82 1.01 0.38 -1.85 120.40 127.64 2gwg s VAL 67 Ca 0.02 0.49 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 2gwg s VAL 67 Cb -0.12 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2gwg s VAL 67 CO 0.02 -0.89 0.19 0.12 0.00 0.00 0.00 175.10 174.54 2gwg s PHE 68 N 3.67 3.21 0.33 5.22 5.36 0.10 -3.26 117.98 132.61 2gwg s PHE 68 Ca 0.33 0.02 0.06 0.00 -0.96 0.00 0.00 56.93 56.38 2gwg s PHE 68 Cb -0.12 -2.39 -0.07 0.00 -0.34 0.00 0.00 43.02 40.11 2gwg s PHE 68 CO 0.23 -0.21 -0.00 -1.54 -1.46 0.00 0.00 175.22 172.24 2gwg s SER 69 N 1.74 3.00 0.62 6.13 1.04 -0.56 -2.07 113.70 123.59 2gwg s SER 69 Ca 0.07 -1.30 -0.18 0.00 0.48 0.00 0.00 55.95 55.02 2gwg s SER 69 Cb -0.16 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.72 2gwg s SER 69 CO 0.10 -0.45 1.18 -2.84 0.98 0.00 0.00 173.24 172.22 2gwg s PRO 70 N -3.77 2.88 0.50 4.02 0.02 -1.26 -1.29 135.00 136.10 2gwg s PRO 70 Ca 0.34 1.72 -0.21 0.00 0.02 0.00 0.00 61.00 62.86 2gwg s PRO 70 Cb 0.07 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.59 2gwg s PRO 70 CO 0.15 -1.25 1.14 -0.98 -0.33 0.00 0.00 177.00 175.73 2gwg s ARG 71 N -3.52 3.58 0.00 5.54 1.70 -1.26 -4.70 118.95 120.29 2gwg s ARG 71 Ca 0.75 1.67 0.00 0.00 -0.47 0.00 0.00 55.73 57.68 2gwg s ARG 71 Cb -0.28 -2.21 0.00 0.00 -0.57 0.00 0.00 34.95 31.90 2gwg s ARG 71 CO 0.35 -0.67 0.20 0.00 -1.08 0.00 0.00 175.30 174.09 2gwg n ALA 72 N -0.88 0.00 -1.69 7.88 0.00 -1.26 -5.05 120.51 119.51 2gwg n ALA 72 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 2gwg n ALA 72 Cb 0.50 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 2gwg n ALA 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gwg n SER 73 N -0.24 2.82 -3.77 0.00 2.88 -1.26 -4.96 113.62 109.09 2gwg n SER 73 Ca 0.00 1.19 -0.13 0.00 -1.33 0.00 0.00 58.87 58.60 2gwg n SER 73 Cb 0.00 -1.48 -0.09 0.00 -0.75 0.00 0.00 64.21 61.90 2gwg n SER 73 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2gwg s ILE 79 N -0.76 0.06 0.60 2.46 1.10 -1.26 -5.17 121.20 118.23 2gwg s ILE 79 Ca 0.59 -0.48 0.08 0.00 -0.51 0.00 0.00 60.65 60.33 2gwg s ILE 79 Cb -0.59 -0.60 0.09 0.00 0.15 0.00 0.00 42.46 41.52 2gwg s ILE 79 CO 0.58 -0.27 0.82 -0.83 -2.11 0.00 0.00 174.94 173.14 2gwg s GLY 80 N -1.31 1.74 0.12 1.50 0.00 -1.26 -5.13 107.32 102.98 2gwg s GLY 80 Ca -0.13 -2.07 -0.02 0.00 0.00 0.00 0.00 44.72 42.50 2gwg s GLY 80 CO 0.04 -1.59 0.16 2.09 0.00 0.00 0.00 173.10 173.80 2gwg n ASP 81 N -2.34 0.02 -0.30 1.64 5.75 -1.26 -4.78 116.55 115.27 2gwg n ASP 81 Ca 0.15 -1.06 -0.00 0.00 -0.01 0.00 0.00 54.79 53.87 2gwg n ASP 81 Cb 0.61 -0.12 0.13 0.00 -1.03 0.00 0.00 41.12 40.71 2gwg n ASP 81 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2gwg h PHE 82 N -1.07 0.97 -0.67 2.11 3.04 -1.93 -2.37 116.94 117.02 2gwg h PHE 82 Ca -0.05 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.04 2gwg h PHE 82 Cb 0.14 -0.31 -0.08 0.00 2.56 0.00 0.00 35.95 38.25 2gwg h PHE 82 CO 0.00 0.51 0.24 -0.97 -2.02 0.00 0.00 178.31 176.08 2gwg h ASN 83 N 0.97 0.21 -0.12 0.41 -1.24 -1.96 0.45 115.58 114.29 2gwg h ASN 83 Ca 0.36 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.44 2gwg h ASN 83 Cb 0.12 0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 2gwg h ASN 83 CO -0.15 0.10 -0.00 0.58 -1.29 0.00 0.00 177.43 176.67 2gwg h VAL 84 N 0.40 1.25 -0.69 2.57 2.07 -1.80 -2.28 116.25 117.78 2gwg h VAL 84 Ca 0.36 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2gwg h VAL 84 Cb 0.50 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2gwg h VAL 84 CO -0.37 0.24 0.36 -1.28 0.02 0.00 0.00 177.57 176.54 2gwg h SER 85 N -0.05 0.87 -0.01 0.57 0.87 -0.91 -1.36 113.55 113.53 2gwg h SER 85 Ca 0.03 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2gwg h SER 85 Cb 0.37 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2gwg h SER 85 CO 0.01 0.73 0.00 -1.28 -0.53 0.00 0.00 176.83 175.76 2gwg h SER 86 N 0.94 0.01 -0.52 6.23 0.87 -0.09 -0.15 113.55 120.85 2gwg h SER 86 Ca 0.24 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2gwg h SER 86 Cb 0.07 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2gwg h SER 86 CO -0.04 0.06 0.21 0.74 -0.53 0.00 0.00 176.83 177.28 2gwg h THR 87 N -0.04 1.21 -0.48 2.23 2.02 -1.30 -1.94 112.91 114.61 2gwg h THR 87 Ca 0.00 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 2gwg h THR 87 Cb 0.05 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2gwg h THR 87 CO -0.00 0.25 0.10 -0.25 0.37 0.00 0.00 175.52 175.99 2gwg h TRP 88 N 0.70 0.82 -0.71 3.16 -0.00 -1.13 -2.26 115.95 116.53 2gwg h TRP 88 Ca 0.17 -0.10 -0.07 0.00 -0.00 0.00 0.00 58.89 58.89 2gwg h TRP 88 Cb 0.18 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 29.09 2gwg h TRP 88 CO 0.00 0.75 0.17 0.00 -0.00 0.00 0.00 178.44 179.36 2gwg h ALA 89 N 0.98 0.97 -0.38 2.65 0.00 -0.92 -1.61 119.26 120.94 2gwg h ALA 89 Ca 0.15 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2gwg h ALA 89 Cb 0.35 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2gwg h ALA 89 CO 0.00 0.67 0.23 0.00 0.00 0.00 0.00 179.25 180.15 2gwg h ALA 90 N 1.11 0.48 0.08 0.00 0.00 -1.17 -0.40 119.26 119.36 2gwg h ALA 90 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2gwg h ALA 90 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2gwg h ALA 90 CO 0.00 -0.10 -0.04 0.82 0.00 0.00 0.00 179.25 179.93 2gwg h ILE 91 N 0.47 1.01 -0.86 0.00 2.04 -1.19 -1.92 117.51 117.05 2gwg h ILE 91 Ca 0.15 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2gwg h ILE 91 Cb -0.01 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2gwg h ILE 91 CO -0.06 0.08 0.48 0.00 0.00 0.00 0.00 178.15 178.65 2gwg h ASN 93 N 1.20 0.82 -0.40 0.00 2.35 -1.05 -2.56 115.58 115.93 2gwg h ASN 93 Ca 0.30 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2gwg h ASN 93 Cb 0.02 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2gwg h ASN 93 CO -0.05 1.02 0.20 -0.08 -1.65 0.00 0.00 177.43 176.87 2gwg h GLU 94 N 0.61 0.62 -0.49 0.81 4.81 -1.09 -0.48 114.58 119.37 2gwg h GLU 94 Ca 0.09 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 2gwg h GLU 94 Cb 0.69 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2gwg h GLU 94 CO 0.05 0.49 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.72 2gwg h LEU 95 N 0.62 0.88 -1.08 1.64 3.38 -1.23 -0.02 115.31 119.50 2gwg h LEU 95 Ca 0.16 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2gwg h LEU 95 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2gwg h LEU 95 CO -0.02 0.99 0.00 0.00 0.09 0.00 0.00 178.44 179.50 2gwg h TYR 97 N 0.61 0.43 -0.95 0.00 5.03 -0.71 -1.40 116.97 119.98 2gwg h TYR 97 Ca 0.13 -0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.44 2gwg h TYR 97 Cb 0.38 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.48 2gwg h TYR 97 CO 0.02 0.45 0.62 0.00 -1.32 0.00 0.00 178.16 177.93 2gwg h ARG 98 N 0.28 1.14 -0.71 1.82 3.08 -0.49 -0.68 114.38 118.82 2gwg h ARG 98 Ca 0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2gwg h ARG 98 Cb 0.22 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2gwg h ARG 98 CO -0.00 0.76 0.29 0.28 -1.07 0.00 0.00 179.97 180.23 2gwg h VAL 99 N 1.18 1.24 -0.04 2.04 2.07 -0.94 -1.62 116.25 120.18 2gwg h VAL 99 Ca 0.38 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 2gwg h VAL 99 Cb 0.04 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2gwg h VAL 99 CO -0.12 0.30 -0.26 0.77 0.02 0.00 0.00 177.57 178.28 2gwg h SER 100 N 1.01 0.06 -0.09 0.57 4.64 -0.07 -0.89 113.55 118.78 2gwg h SER 100 Ca 0.24 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.35 2gwg h SER 100 Cb 0.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2gwg h SER 100 CO -0.02 0.33 -0.65 1.56 -0.87 0.00 0.00 176.83 177.18 2gwg h GLN 101 N 0.06 0.71 0.00 4.77 4.20 -0.60 -0.80 115.11 123.46 2gwg h GLN 101 Ca 0.01 -0.51 -0.11 0.00 0.06 0.00 0.00 58.65 58.10 2gwg h GLN 101 Cb 0.50 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2gwg h GLN 101 CO 0.04 1.13 -0.52 -0.07 -0.67 0.00 0.00 178.83 178.74 2gwg h LEU 102 N 0.52 0.00 -5.94 1.46 3.38 -0.93 -3.35 115.31 110.44 2gwg h LEU 102 Ca -0.02 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 2gwg h LEU 102 Cb 1.25 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.60 2gwg h LEU 102 CO 0.13 0.52 -1.10 0.49 0.09 0.00 0.00 178.44 178.57 2gwg n PHE 103 N -3.46 0.53 0.30 1.13 3.72 -0.37 -4.97 117.46 114.33 2gwg n PHE 103 Ca 0.00 -3.78 0.19 0.00 -0.05 0.00 0.00 57.45 53.81 2gwg n PHE 103 Cb 0.64 -0.41 0.98 0.00 -0.94 0.00 0.00 39.48 39.75 2gwg n PHE 103 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2gwg h PRO 104 N 3.32 0.00 0.00 -1.08 0.13 -1.28 -1.55 132.00 131.54 2gwg h PRO 104 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2gwg h PRO 104 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2gwg h PRO 104 CO 0.53 0.00 -0.65 -0.25 -0.23 0.00 0.00 178.00 177.40 2gwg n ASP 105 N -3.27 0.70 -0.00 1.44 10.43 -1.26 -4.42 116.55 120.16 2gwg n ASP 105 Ca -0.01 0.11 0.02 0.00 2.57 0.00 0.00 54.79 57.47 2gwg n ASP 105 Cb 0.23 0.20 -0.02 0.00 1.84 0.00 0.00 41.12 43.37 2gwg n ASP 105 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2gwg n ASN 106 N -2.11 2.21 -3.88 -2.24 4.13 -0.64 -4.55 115.26 108.17 2gwg n ASN 106 Ca 0.03 -0.29 -0.14 0.00 1.68 0.00 0.00 54.58 55.86 2gwg n ASN 106 Cb 0.44 1.08 -0.15 0.00 -1.54 0.00 0.00 39.78 39.61 2gwg n ASN 106 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2gwg s PHE 107 N -1.77 0.22 -0.01 3.10 0.08 -0.85 -1.09 117.98 117.65 2gwg s PHE 107 Ca -0.00 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.03 2gwg s PHE 107 Cb 0.02 -0.19 0.01 0.00 -0.57 0.00 0.00 43.02 42.29 2gwg s PHE 107 CO 0.14 -0.03 -0.00 -1.50 -0.10 0.00 0.00 175.22 173.72 2gwg s ILE 108 N 0.22 0.12 0.53 0.64 2.07 -0.77 -4.56 121.20 119.45 2gwg s ILE 108 Ca -0.02 0.03 -0.17 0.00 -1.41 0.00 0.00 60.65 59.08 2gwg s ILE 108 Cb -0.04 -0.17 -0.07 0.00 0.13 0.00 0.00 42.46 42.31 2gwg s ILE 108 CO -0.01 0.09 1.00 -0.83 -1.91 0.00 0.00 174.94 173.28 2gwg s GLY 109 N 0.52 2.10 -0.00 1.50 0.00 -1.26 0.01 107.32 110.19 2gwg s GLY 109 Ca -0.05 0.25 0.04 0.00 0.00 0.00 0.00 44.72 44.97 2gwg s GLY 109 CO -0.01 0.54 -0.14 0.00 0.00 0.00 0.00 173.10 173.49 2gwg s ALA 110 N -2.55 1.14 0.33 3.20 0.00 -0.88 -1.11 121.76 121.89 2gwg s ALA 110 Ca 0.60 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2gwg s ALA 110 Cb -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2gwg s ALA 110 CO 0.32 0.27 0.00 0.00 0.00 0.00 0.00 175.76 176.34 2gwg n ALA 111 N 2.59 0.00 -3.44 0.00 0.00 -0.06 -4.29 120.51 115.31 2gwg n ALA 111 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 2gwg n ALA 111 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 2gwg n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gwg s LEU 113 N 0.00 -0.08 -0.91 0.00 1.43 -1.26 -0.54 118.68 117.32 2gwg s LEU 113 Ca 0.00 0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 53.94 2gwg s LEU 113 Cb 0.00 1.93 -0.11 0.00 0.03 0.00 0.00 46.19 48.03 2gwg s LEU 113 CO 0.00 -0.30 2.69 -0.81 0.23 0.00 0.00 176.35 178.16 2gwg n PRO 114 N 2.27 2.54 -2.03 1.29 -0.04 -1.26 -4.93 135.00 132.84 2gwg n PRO 114 Ca -0.16 -1.54 -0.33 0.00 -0.04 0.00 0.00 63.50 61.44 2gwg n PRO 114 Cb 0.56 -2.42 0.01 0.00 -0.04 0.00 0.00 33.50 31.62 2gwg n PRO 114 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2gwg s GLN 115 N 2.35 3.25 -0.17 0.54 -0.21 -1.26 -4.59 119.66 119.57 2gwg s GLN 115 Ca 0.55 1.26 -0.13 0.00 0.02 0.00 0.00 55.36 57.06 2gwg s GLN 115 Cb 0.18 -2.02 0.05 0.00 1.00 0.00 0.00 33.01 32.22 2gwg s GLN 115 CO -0.03 -0.87 0.44 0.45 -2.12 0.00 0.00 175.29 173.15 2gwg s SER 116 N -2.67 -0.50 -0.44 5.90 0.15 -1.26 -4.88 113.70 109.99 2gwg s SER 116 Ca 0.65 0.91 -0.44 0.00 0.70 0.00 0.00 55.95 57.77 2gwg s SER 116 Cb -0.17 0.87 -0.18 0.00 -1.71 0.00 0.00 66.02 64.83 2gwg s SER 116 CO 0.37 -0.17 1.85 -2.65 1.20 0.00 0.00 173.24 173.84 2gwg n PRO 117 N 3.36 0.33 -0.25 5.44 -0.02 -1.26 -0.97 135.00 141.63 2gwg n PRO 117 Ca -0.17 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2gwg n PRO 117 Cb 0.56 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2gwg n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gwg n GLY 118 N 5.38 2.39 3.73 -1.23 0.00 -1.26 -5.00 105.19 109.19 2gwg n GLY 118 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 2gwg n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gwg s VAL 119 N -3.16 4.79 -0.04 1.61 1.01 -0.14 -4.98 120.40 119.49 2gwg s VAL 119 Ca 0.00 1.77 -0.37 0.00 0.00 0.00 0.00 61.98 63.38 2gwg s VAL 119 Cb 0.00 -4.18 -0.15 0.00 0.00 0.00 0.00 36.38 32.05 2gwg s VAL 119 CO 0.00 0.28 1.62 -0.67 0.00 0.00 0.00 175.10 176.34 2gwg n ASP 120 N 3.27 2.55 0.33 3.32 -0.08 -1.26 -4.72 116.55 119.96 2gwg n ASP 120 Ca 0.01 1.07 0.16 0.00 -1.51 0.00 0.00 54.79 54.52 2gwg n ASP 120 Cb 0.50 -1.26 0.87 0.00 2.34 0.00 0.00 41.12 43.57 2gwg n ASP 120 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2gwg h PRO 121 N 6.63 0.00 -0.04 -0.67 0.11 -1.94 -1.45 132.00 134.63 2gwg h PRO 121 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2gwg h PRO 121 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2gwg h PRO 121 CO 0.89 0.00 0.04 0.87 -0.21 0.00 0.00 178.00 179.59 2gwg h LYS 122 N 0.00 0.00 0.00 1.05 1.57 -1.88 -0.69 116.57 116.62 2gwg h LYS 122 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gwg h LYS 122 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2gwg h LYS 122 CO -0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 2gwg h THR 123 N 0.00 0.00 0.00 -0.16 1.35 -1.62 -2.05 112.91 110.43 2gwg h THR 123 Ca 0.02 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2gwg h THR 123 Cb 0.10 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2gwg h THR 123 CO -0.00 0.00 -0.54 0.00 -0.25 0.00 0.00 175.52 174.73 2gwg h ILE 125 N 0.00 1.13 -0.62 0.00 2.04 -1.48 -2.04 117.51 116.54 2gwg h ILE 125 Ca 0.00 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.63 2gwg h ILE 125 Cb 0.54 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 2gwg h ILE 125 CO 0.00 0.16 0.29 -0.65 0.00 0.00 0.00 178.15 177.95 2gwg h PRO 126 N 0.90 0.50 -0.39 2.37 0.11 -1.79 0.51 132.00 134.21 2gwg h PRO 126 Ca 0.27 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.20 2gwg h PRO 126 Cb -0.03 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2gwg h PRO 126 CO -0.09 0.33 -0.34 1.49 -0.21 0.00 0.00 178.00 179.19 2gwg h GLU 127 N 0.52 0.92 -0.01 1.05 4.57 -1.81 -1.84 114.58 117.99 2gwg h GLU 127 Ca 0.30 -0.47 0.02 0.00 -1.18 0.00 0.00 59.36 58.03 2gwg h GLU 127 Cb 0.30 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2gwg h GLU 127 CO -0.25 1.12 -0.10 1.25 -1.18 0.00 0.00 179.01 179.85 2gwg h LEU 128 N 0.73 -0.29 -0.84 1.64 6.46 -0.77 -0.62 115.31 121.64 2gwg h LEU 128 Ca 0.07 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 2gwg h LEU 128 Cb 0.93 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.95 2gwg h LEU 128 CO 0.09 -0.14 0.41 -0.33 -0.62 0.00 0.00 178.44 177.85 2gwg h GLU 129 N -0.17 1.20 -0.16 1.25 5.08 -0.88 -1.82 114.58 119.08 2gwg h GLU 129 Ca 0.04 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2gwg h GLU 129 Cb 0.22 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2gwg h GLU 129 CO -0.11 0.91 0.09 -0.22 -1.00 0.00 0.00 179.01 178.69 2gwg h LYS 130 N 1.18 0.22 -0.58 2.33 3.64 -1.00 0.76 116.57 123.12 2gwg h LYS 130 Ca 0.29 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2gwg h LYS 130 Cb 0.10 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2gwg h LYS 130 CO -0.04 0.21 0.34 0.00 -2.27 0.00 0.00 179.45 177.69 2gwg h VAL 132 N 0.78 1.41 0.11 0.00 2.07 -1.19 -0.81 116.25 118.63 2gwg h VAL 132 Ca 0.21 -1.22 -0.29 0.00 0.82 0.00 0.00 66.70 66.21 2gwg h VAL 132 Cb -0.01 2.24 0.03 0.00 -1.52 0.00 0.00 31.29 32.03 2gwg h VAL 132 CO -0.04 0.32 -1.22 0.11 0.02 0.00 0.00 177.57 176.76 2gwg h LYS 133 N -0.51 0.59 0.07 1.57 1.57 -0.84 -2.93 116.57 116.09 2gwg h LYS 133 Ca 0.00 -0.78 -0.37 0.00 -1.87 0.00 0.00 60.65 57.63 2gwg h LYS 133 Cb 0.52 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 2gwg h LYS 133 CO 0.00 1.35 -2.14 0.39 -0.57 0.00 0.00 179.45 178.48 2gwg n GLU 134 N -3.77 0.72 0.01 3.15 1.02 0.86 -4.47 120.64 118.15 2gwg n GLU 134 Ca -0.13 0.22 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 2gwg n GLU 134 Cb 0.98 -1.65 0.06 0.00 -0.02 0.00 0.00 31.44 30.81 2gwg n GLU 134 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2gwg n TYR 135 N -3.35 0.08 -1.27 -0.32 4.01 -0.92 -4.97 117.16 110.41 2gwg n TYR 135 Ca -0.35 0.02 -0.06 0.00 -0.16 0.00 0.00 57.90 57.36 2gwg n TYR 135 Cb 1.04 -0.23 -0.02 0.00 -0.31 0.00 0.00 39.34 39.82 2gwg n TYR 135 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gwg n GLY 136 N 1.46 0.73 3.72 2.72 0.00 -0.63 -4.86 105.19 108.33 2gwg n GLY 136 Ca 0.04 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 2gwg n GLY 136 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gwg s PHE 137 N -2.21 2.07 -0.73 1.61 0.40 -0.40 -4.72 117.98 113.99 2gwg s PHE 137 Ca 0.00 1.59 0.06 0.00 -0.60 0.00 0.00 56.93 57.98 2gwg s PHE 137 Cb 0.00 -3.48 0.08 0.00 0.51 0.00 0.00 43.02 40.14 2gwg s PHE 137 CO 0.00 -2.60 0.82 1.33 0.70 0.00 0.00 175.22 175.47 2gwg n VAL 138 N -2.65 0.26 -3.74 -0.44 0.24 -0.27 -4.54 118.33 107.19 2gwg n VAL 138 Ca 0.13 -0.63 -0.02 0.00 -2.04 0.00 0.00 64.34 61.79 2gwg n VAL 138 Cb 0.50 0.97 -0.01 0.00 -1.47 0.00 0.00 33.84 33.84 2gwg n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gwg s ALA 139 N -0.65 -1.85 0.16 2.33 0.00 -1.26 -4.24 121.76 116.24 2gwg s ALA 139 Ca 0.09 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.35 2gwg s ALA 139 Cb 0.06 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 2gwg s ALA 139 CO 0.08 -1.06 -0.15 0.96 0.00 0.00 0.00 175.76 175.60 2gwg s ILE 140 N -2.83 1.55 -0.27 0.00 -4.36 -1.02 -0.88 121.20 113.40 2gwg s ILE 140 Ca 0.15 -1.97 -0.09 0.00 -0.26 0.00 0.00 60.65 58.48 2gwg s ILE 140 Cb 0.00 -1.81 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 2gwg s ILE 140 CO 0.01 -0.50 0.11 0.20 0.24 0.00 0.00 174.94 175.00 2gwg s ASN 141 N -2.88 5.40 -0.25 4.36 0.01 0.30 -4.26 114.94 117.61 2gwg s ASN 141 Ca 0.16 -0.22 -0.05 0.00 -0.71 0.00 0.00 52.86 52.03 2gwg s ASN 141 Cb -0.03 -1.98 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 2gwg s ASN 141 CO 0.05 -0.07 0.02 -0.22 -1.51 0.00 0.00 177.10 175.37 2gwg s LEU 142 N 1.65 3.30 -0.39 0.60 2.96 -1.26 -4.13 118.68 121.40 2gwg s LEU 142 Ca 0.06 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.29 2gwg s LEU 142 Cb -0.16 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.73 2gwg s LEU 142 CO 0.06 -0.07 0.84 0.21 -1.32 0.00 0.00 176.35 176.06 2gwg s ASN 143 N 1.52 6.55 0.46 3.68 3.84 -1.24 -0.94 114.94 128.81 2gwg s ASN 143 Ca 0.05 0.29 0.30 0.00 0.21 0.00 0.00 52.86 53.72 2gwg s ASN 143 Cb -0.15 -2.42 1.17 0.00 -0.55 0.00 0.00 41.25 39.30 2gwg s ASN 143 CO 0.00 -0.84 1.88 1.55 -2.79 0.00 0.00 177.10 176.91 2gwg h PRO 144 N 8.65 0.00 -1.97 0.43 0.13 -1.95 -3.37 132.00 133.91 2gwg h PRO 144 Ca -0.24 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.39 2gwg h PRO 144 Cb 1.09 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.88 2gwg h PRO 144 CO 0.95 0.00 -0.90 -3.47 -0.23 0.00 0.00 178.00 174.35 2gwg n ASP 145 N -2.88 -0.99 0.20 1.44 2.03 -1.26 -4.76 116.55 110.34 2gwg n ASP 145 Ca 0.01 -2.55 0.13 0.00 0.52 0.00 0.00 54.79 52.90 2gwg n ASP 145 Cb 0.32 -0.08 0.71 0.00 -0.72 0.00 0.00 41.12 41.34 2gwg n ASP 145 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2gwg h PRO 146 N 5.19 0.00 0.00 -0.67 0.13 -1.96 -3.44 132.00 131.24 2gwg h PRO 146 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2gwg h PRO 146 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2gwg h PRO 146 CO 0.32 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.52 2gwg n SER 147 N -2.42 0.00 -4.72 1.44 7.64 -1.26 -4.70 113.62 109.60 2gwg n SER 147 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.45 2gwg n SER 147 Cb 0.05 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 2gwg n SER 147 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2gwg s THR 152 N 0.00 3.47 -0.13 0.44 2.01 -1.26 -5.11 115.64 115.06 2gwg s THR 152 Ca 0.00 1.09 -0.04 0.00 0.31 0.00 0.00 61.69 63.05 2gwg s THR 152 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2gwg s THR 152 CO 0.00 0.11 0.03 -0.55 -0.69 0.00 0.00 174.62 173.52 2gwg s SER 153 N 0.88 5.44 0.36 3.53 0.15 -1.26 -4.96 113.70 117.83 2gwg s SER 153 Ca 0.61 0.13 -0.28 0.00 0.70 0.00 0.00 55.95 57.10 2gwg s SER 153 Cb -0.35 -1.74 -0.10 0.00 -1.71 0.00 0.00 66.02 62.12 2gwg s SER 153 CO 0.32 0.29 1.39 -2.16 1.20 0.00 0.00 173.24 174.28 2gwg s PRO 154 N -0.34 4.19 0.76 5.44 0.04 -1.26 -4.96 135.00 138.87 2gwg s PRO 154 Ca 0.08 2.38 -0.15 0.00 0.04 0.00 0.00 61.00 63.35 2gwg s PRO 154 Cb -0.12 -2.98 0.04 0.00 0.04 0.00 0.00 34.50 31.47 2gwg s PRO 154 CO 0.02 -0.39 1.08 -0.35 0.04 0.00 0.00 177.00 177.39 2gwg n PRO 155 N 0.55 0.39 0.31 0.56 -0.04 -1.26 -4.85 135.00 130.65 2gwg n PRO 155 Ca 0.01 0.20 0.19 0.00 -0.04 0.00 0.00 63.50 63.86 2gwg n PRO 155 Cb 0.41 -2.33 1.01 0.00 -0.04 0.00 0.00 33.50 32.55 2gwg n PRO 155 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2gwg h LEU 156 N -0.52 0.00 -0.08 1.53 3.38 -1.93 -0.03 115.31 117.65 2gwg h LEU 156 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2gwg h LEU 156 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2gwg h LEU 156 CO 0.46 0.00 -0.16 0.35 0.09 0.00 0.00 178.44 179.18 2gwg n THR 157 N -2.87 0.00 -2.43 0.22 -2.24 -1.26 -4.85 114.28 100.84 2gwg n THR 157 Ca -0.02 -0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 2gwg n THR 157 Cb 0.14 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 2gwg n THR 157 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2gwg s ASP 158 N -2.79 6.51 0.15 3.42 -0.00 -0.03 -4.93 116.67 119.01 2gwg s ASP 158 Ca 0.19 2.13 0.14 0.00 -0.00 0.00 0.00 52.55 55.02 2gwg s ASP 158 Cb 0.19 -2.59 0.69 0.00 -0.00 0.00 0.00 42.92 41.21 2gwg s ASP 158 CO 0.55 -0.67 1.45 0.54 -0.00 0.00 0.00 175.17 177.03 2gwg n ARG 159 N -0.28 0.08 0.23 8.23 1.74 -1.26 -2.37 116.66 123.04 2gwg n ARG 159 Ca 0.06 0.47 0.07 0.00 -0.77 0.00 0.00 57.85 57.69 2gwg n ARG 159 Cb 0.49 -1.72 0.61 0.00 -1.02 0.00 0.00 32.46 30.83 2gwg n ARG 159 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2gwg h ILE 160 N 0.00 1.02 0.00 0.55 2.10 -1.92 -1.51 117.51 117.75 2gwg h ILE 160 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 2gwg h ILE 160 Cb 0.13 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 2gwg h ILE 160 CO 0.00 0.02 -0.37 0.79 -1.08 0.00 0.00 178.15 177.51 2gwg n TRP 161 N -4.52 0.19 -0.32 2.19 7.02 -1.00 -4.40 117.44 116.60 2gwg n TRP 161 Ca -0.02 0.06 0.19 0.00 -1.02 0.00 0.00 57.50 56.70 2gwg n TRP 161 Cb 0.10 -0.45 0.44 0.00 -2.42 0.00 0.00 31.31 28.98 2gwg n TRP 161 CO 0.00 0.00 0.00 1.88 -2.02 0.00 0.00 177.69 177.55 2gwg h TYR 162 N 0.00 0.79 -0.12 -5.99 0.99 -1.42 -1.11 116.97 110.10 2gwg h TYR 162 Ca 0.00 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 2gwg h TYR 162 Cb 0.57 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 38.06 2gwg h TYR 162 CO 0.00 0.13 -0.09 -1.35 -0.00 0.00 0.00 178.16 176.86 2gwg h PRO 163 N 0.53 0.18 -0.11 4.88 0.11 -1.78 0.95 132.00 136.76 2gwg h PRO 163 Ca 0.57 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.53 2gwg h PRO 163 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2gwg h PRO 163 CO -0.31 0.28 -0.37 0.82 -0.21 0.00 0.00 178.00 178.22 2gwg h ILE 164 N 0.18 1.38 -0.82 4.15 1.08 -1.53 -2.76 117.51 119.19 2gwg h ILE 164 Ca 0.04 -1.70 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 2gwg h ILE 164 Cb 0.27 2.17 -0.04 0.00 -3.07 0.00 0.00 36.82 36.15 2gwg h ILE 164 CO 0.01 0.50 0.52 1.88 -0.69 0.00 0.00 178.15 180.38 2gwg h TYR 165 N 0.01 1.05 -0.78 1.37 0.05 -1.02 -2.25 116.97 115.40 2gwg h TYR 165 Ca -0.02 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.80 2gwg h TYR 165 Cb 1.00 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 38.34 2gwg h TYR 165 CO 0.11 0.68 0.50 0.93 -1.05 0.00 0.00 178.16 179.33 2gwg h GLU 166 N 1.11 0.96 -1.58 4.88 5.08 -0.83 -1.30 114.58 122.90 2gwg h GLU 166 Ca 0.30 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2gwg h GLU 166 Cb -0.10 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.94 2gwg h GLU 166 CO -0.06 0.64 0.00 1.63 -1.00 0.00 0.00 179.01 180.22 2gwg n LYS 167 N -4.59 0.45 0.00 2.33 4.76 -0.85 -1.59 118.16 118.67 2gwg n LYS 167 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2gwg n LYS 167 Cb 0.06 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 2gwg n LYS 167 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2gwg n VAL 169 N 0.84 0.00 -0.07 -0.18 0.31 -0.49 -1.32 118.33 117.42 2gwg n VAL 169 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2gwg n VAL 169 Cb 0.22 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.15 2gwg n VAL 169 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2gwg h GLU 170 N 0.00 0.13 -0.01 5.55 4.81 -1.55 -2.86 114.58 120.67 2gwg h GLU 170 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2gwg h GLU 170 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2gwg h GLU 170 CO 0.00 0.09 -0.19 1.28 -0.73 0.00 0.00 179.01 179.46 2gwg n LEU 171 N -5.11 0.96 -3.33 1.64 4.77 -0.44 -4.97 117.00 110.52 2gwg n LEU 171 Ca -0.00 -0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 55.57 2gwg n LEU 171 Cb 0.13 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 2gwg n LEU 171 CO 0.26 0.18 0.04 -0.62 -1.33 0.00 0.00 177.39 175.91 2gwg n GLU 172 N -0.60 -3.24 -4.54 3.23 1.02 -1.08 -4.82 120.64 110.61 2gwg n GLU 172 Ca 0.14 0.83 -0.22 0.00 -0.02 0.00 0.00 57.16 57.89 2gwg n GLU 172 Cb 0.33 -5.71 -0.15 0.00 -0.02 0.00 0.00 31.44 25.88 2gwg n GLU 172 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2gwg s ILE 173 N -3.40 0.98 0.67 -3.67 -4.36 -1.26 -3.86 121.20 106.30 2gwg s ILE 173 Ca 0.34 -0.49 -0.06 0.00 -0.26 0.00 0.00 60.65 60.19 2gwg s ILE 173 Cb -0.05 -0.84 0.05 0.00 1.25 0.00 0.00 42.46 42.86 2gwg s ILE 173 CO 0.75 0.29 0.97 -2.16 0.24 0.00 0.00 174.94 175.03 2gwg s PRO 174 N -0.01 2.33 0.00 0.37 0.04 -1.26 -4.65 135.00 131.81 2gwg s PRO 174 Ca -0.00 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.75 2gwg s PRO 174 Cb -0.08 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2gwg s PRO 174 CO 0.00 -1.11 0.00 0.00 0.04 0.00 0.00 177.00 175.94 2gwg n ALA 175 N -2.81 0.00 -3.71 8.56 0.00 -0.57 -2.42 120.51 119.56 2gwg n ALA 175 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 2gwg n ALA 175 Cb 0.60 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.88 2gwg n ALA 175 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gwg s ILE 177 N 2.01 0.25 -0.15 0.00 -1.09 -0.49 -0.48 121.20 121.24 2gwg s ILE 177 Ca 0.00 -0.09 -0.04 0.00 -2.23 0.00 0.00 60.65 58.29 2gwg s ILE 177 Cb 0.00 -0.63 0.07 0.00 -1.58 0.00 0.00 42.46 40.32 2gwg s ILE 177 CO 0.00 -0.00 0.20 -2.28 -1.23 0.00 0.00 174.94 171.62 2gwg s HIS 178 N 2.00 -0.23 0.54 3.97 2.46 -0.12 -4.40 115.29 119.52 2gwg s HIS 178 Ca 0.03 0.45 -0.05 0.00 0.47 0.00 0.00 55.06 55.95 2gwg s HIS 178 Cb -0.14 -0.30 -0.01 0.00 -0.13 0.00 0.00 32.58 32.00 2gwg s HIS 178 CO -0.06 -0.44 0.84 0.14 -2.47 0.00 0.00 174.74 172.75 2gwg s VAL 179 N 2.32 4.14 -1.08 0.89 -7.23 -1.26 -3.61 120.40 114.56 2gwg s VAL 179 Ca 0.04 0.04 -0.03 0.00 -1.81 0.00 0.00 61.98 60.23 2gwg s VAL 179 Cb -0.14 -3.60 0.29 0.00 0.56 0.00 0.00 36.38 33.49 2gwg s VAL 179 CO -0.09 -0.60 1.77 -0.24 -0.31 0.00 0.00 175.10 175.64 2gwg n SER 180 N -2.43 7.05 0.11 4.85 2.88 -1.26 -4.94 113.62 119.88 2gwg n SER 180 Ca 0.03 -3.54 0.12 0.00 -1.33 0.00 0.00 58.87 54.15 2gwg n SER 180 Cb 0.57 -1.23 0.46 0.00 -0.75 0.00 0.00 64.21 63.26 2gwg n SER 180 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gwg n GLY 191 N 0.63 -1.36 1.94 0.46 0.00 -1.26 -4.86 105.19 100.74 2gwg n GLY 191 Ca 0.42 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.50 2gwg n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gwg n ALA 192 N -1.75 2.50 -0.13 4.61 0.00 -1.26 -4.89 120.51 119.59 2gwg n ALA 192 Ca 0.03 -2.38 0.04 0.00 0.00 0.00 0.00 53.44 51.13 2gwg n ALA 192 Cb 0.27 -0.77 0.36 0.00 0.00 0.00 0.00 19.45 19.31 2gwg n ALA 192 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2gwg h HIS 193 N 1.48 0.71 -0.10 0.00 -0.00 -2.02 -2.12 115.15 113.11 2gwg h HIS 193 Ca -0.22 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.18 2gwg h HIS 193 Cb 1.66 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 28.83 2gwg h HIS 193 CO 0.26 0.42 0.07 0.10 -0.00 0.00 0.00 177.93 178.77 2gwg h TYR 194 N 0.74 0.07 -0.53 5.26 -0.00 -1.90 -1.70 116.97 118.90 2gwg h TYR 194 Ca 0.25 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.88 2gwg h TYR 194 Cb 0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 36.73 36.76 2gwg h TYR 194 CO -0.00 0.04 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.09 2gwg h LEU 195 N 0.08 0.93 -0.38 0.10 3.38 -1.79 -2.24 115.31 115.39 2gwg h LEU 195 Ca 0.04 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2gwg h LEU 195 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2gwg h LEU 195 CO -0.01 1.01 0.04 0.78 0.09 0.00 0.00 178.44 180.36 2gwg h ASN 196 N 0.86 0.63 -0.54 -0.43 -0.26 -1.40 -2.87 115.58 111.57 2gwg h ASN 196 Ca 0.15 -0.28 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 2gwg h ASN 196 Cb 0.57 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.63 2gwg h ASN 196 CO 0.03 0.75 0.32 0.00 -1.06 0.00 0.00 177.43 177.47 2gwg h ALA 197 N 0.90 1.53 -0.19 -0.83 0.00 -1.26 -0.94 119.26 118.47 2gwg h ALA 197 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2gwg h ALA 197 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2gwg h ALA 197 CO 0.01 0.40 0.09 -0.44 0.00 0.00 0.00 179.25 179.31 2gwg h ASP 198 N 0.76 0.25 -0.48 0.00 3.32 -1.21 -0.90 116.42 118.16 2gwg h ASP 198 Ca 0.20 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2gwg h ASP 198 Cb -0.02 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2gwg h ASP 198 CO -0.04 0.31 0.19 0.74 -1.72 0.00 0.00 179.24 178.72 2gwg h THR 199 N 0.18 1.21 -0.38 0.35 2.02 -1.24 -2.51 112.91 112.53 2gwg h THR 199 Ca 0.07 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 2gwg h THR 199 Cb 0.13 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2gwg h THR 199 CO -0.01 0.25 0.22 0.74 0.37 0.00 0.00 175.52 177.09 2gwg h THR 200 N 0.64 1.13 -0.52 3.16 2.02 -1.06 -2.79 112.91 115.48 2gwg h THR 200 Ca 0.16 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.06 2gwg h THR 200 Cb 0.20 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2gwg h THR 200 CO -0.01 0.14 0.27 0.00 0.37 0.00 0.00 175.52 176.29 2gwg h ALA 201 N 1.09 0.67 0.00 6.16 0.00 -1.03 -0.87 119.26 125.28 2gwg h ALA 201 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2gwg h ALA 201 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2gwg h ALA 201 CO -0.02 -0.07 0.00 0.34 0.00 0.00 0.00 179.25 179.50 2gwg n PHE 202 N -4.86 0.00 0.00 0.00 7.35 -0.96 -2.31 117.46 116.67 2gwg n PHE 202 Ca 0.05 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 2gwg n PHE 202 Cb 0.13 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 39.90 2gwg n PHE 202 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2gwg n GLN 204 N 0.66 0.00 -0.16 -4.13 6.02 -0.33 -1.32 117.38 118.12 2gwg n GLN 204 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2gwg n GLN 204 Cb 0.04 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.32 2gwg n GLN 204 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gwg h VAL 206 N 0.86 1.25 0.00 0.00 2.07 -1.49 -2.93 116.25 116.01 2gwg h VAL 206 Ca 0.12 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 2gwg h VAL 206 Cb 0.76 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2gwg h VAL 206 CO 0.06 0.33 -0.55 0.00 0.02 0.00 0.00 177.57 177.43 2gwg h ALA 207 N 1.22 1.06 -3.00 1.67 0.00 -1.79 -3.46 119.26 114.96 2gwg h ALA 207 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2gwg h ALA 207 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2gwg h ALA 207 CO -0.01 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2gwg n GLY 208 N 0.11 1.97 2.76 0.00 0.00 -0.71 -5.07 105.19 104.25 2gwg n GLY 208 Ca -0.01 -1.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.01 2gwg n GLY 208 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gwg n ASP 209 N 0.00 0.66 -0.33 1.61 8.00 -1.26 -4.97 116.55 120.26 2gwg n ASP 209 Ca 0.00 -2.23 0.04 0.00 0.71 0.00 0.00 54.79 53.32 2gwg n ASP 209 Cb 0.00 -0.14 0.19 0.00 -0.02 0.00 0.00 41.12 41.16 2gwg n ASP 209 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2gwg h LEU 210 N 2.31 0.83 0.00 0.64 5.85 -1.92 -1.68 115.31 121.33 2gwg h LEU 210 Ca -0.21 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2gwg h LEU 210 Cb 1.26 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2gwg h LEU 210 CO 0.15 0.47 0.00 0.49 -0.34 0.00 0.00 178.44 179.20 2gwg n PHE 211 N -4.66 0.00 0.10 1.25 3.72 -1.26 -1.48 117.46 115.13 2gwg n PHE 211 Ca 0.16 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.35 2gwg n PHE 211 Cb 0.29 -0.12 -0.13 0.00 -0.94 0.00 0.00 39.48 38.59 2gwg n PHE 211 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2gwg h LYS 212 N 0.00 0.56 0.03 -1.08 1.63 -1.68 -2.39 116.57 113.64 2gwg h LYS 212 Ca 0.00 -0.77 -0.24 0.00 -0.85 0.00 0.00 60.65 58.79 2gwg h LYS 212 Cb 0.09 0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 2gwg h LYS 212 CO 0.00 1.35 -1.18 -0.44 -3.45 0.00 0.00 179.45 175.73 2gwg h ASP 213 N 0.24 0.11 -2.32 4.20 3.32 -1.31 -3.39 116.42 117.26 2gwg h ASP 213 Ca -0.18 -0.13 -0.59 0.00 0.02 0.00 0.00 57.03 56.16 2gwg h ASP 213 Cb 1.92 -0.03 -0.40 0.00 0.22 0.00 0.00 39.33 41.04 2gwg h ASP 213 CO 0.23 1.10 -0.87 0.49 -1.72 0.00 0.00 179.24 178.47 2gwg n PHE 214 N -3.35 0.97 0.15 4.55 3.72 -0.58 -4.97 117.46 117.95 2gwg n PHE 214 Ca -0.05 -3.75 0.16 0.00 -0.05 0.00 0.00 57.45 53.76 2gwg n PHE 214 Cb 0.98 -0.28 0.74 0.00 -0.94 0.00 0.00 39.48 39.98 2gwg n PHE 214 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2gwg h PRO 215 N 4.70 0.00 0.00 -1.08 0.11 -1.64 -1.92 132.00 132.17 2gwg h PRO 215 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2gwg h PRO 215 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2gwg h PRO 215 CO 0.56 0.00 -0.19 0.93 -0.21 0.00 0.00 178.00 179.09 2gwg h GLU 216 N 0.00 0.00 -6.63 1.05 3.07 -1.93 -3.47 114.58 106.67 2gwg h GLU 216 Ca 0.12 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.43 2gwg h GLU 216 Cb 0.56 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.54 2gwg h GLU 216 CO -0.00 0.00 0.88 -0.11 -1.40 0.00 0.00 179.01 178.38 2gwg n LEU 217 N -2.74 3.70 -4.01 1.33 7.94 -0.72 -4.97 117.00 117.52 2gwg n LEU 217 Ca 0.04 1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 55.77 2gwg n LEU 217 Cb 0.50 -1.52 -0.17 0.00 0.53 0.00 0.00 43.42 42.76 2gwg n LEU 217 CO 0.34 -0.04 -0.47 -0.54 -1.11 0.00 0.00 177.39 175.58 2gwg s LYS 218 N 0.61 1.78 -0.05 1.96 1.02 -1.26 -4.58 119.74 119.22 2gwg s LYS 218 Ca 0.73 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.34 2gwg s LYS 218 Cb -0.57 -1.54 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 2gwg s LYS 218 CO 0.39 -0.04 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.58 2gwg s PHE 219 N 0.92 2.73 -0.20 3.18 0.08 -0.06 -1.52 117.98 123.12 2gwg s PHE 219 Ca -0.09 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 56.80 2gwg s PHE 219 Cb -0.15 -1.63 -0.00 0.00 -0.57 0.00 0.00 43.02 40.67 2gwg s PHE 219 CO 0.01 0.22 -0.10 0.08 -0.10 0.00 0.00 175.22 175.32 2gwg s VAL 220 N -0.76 2.95 -0.29 -0.44 1.01 0.36 -0.95 120.40 122.29 2gwg s VAL 220 Ca 0.12 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 2gwg s VAL 220 Cb -0.11 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2gwg s VAL 220 CO 0.01 0.47 0.16 -0.63 0.00 0.00 0.00 175.10 175.11 2gwg s ILE 221 N 1.33 4.93 1.15 2.22 1.01 0.11 -1.40 121.20 130.55 2gwg s ILE 221 Ca 0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.42 2gwg s ILE 221 Cb -0.14 -3.40 0.27 0.00 0.01 0.00 0.00 42.46 39.20 2gwg s ILE 221 CO -0.05 0.20 1.19 -2.16 0.00 0.00 0.00 174.94 174.11 2gwg s PRO 222 N 1.69 -0.86 -1.44 2.79 0.04 -1.26 -2.71 135.00 133.25 2gwg s PRO 222 Ca 0.06 -0.27 -0.09 0.00 0.04 0.00 0.00 61.00 60.74 2gwg s PRO 222 Cb -0.16 -1.66 0.05 0.00 0.04 0.00 0.00 34.50 32.77 2gwg s PRO 222 CO 0.08 -3.43 0.98 0.72 0.04 0.00 0.00 177.00 175.39 2gwg n HIS 223 N -4.52 -2.37 -2.05 0.56 8.25 -1.26 -1.65 115.22 112.19 2gwg n HIS 223 Ca 0.15 0.92 -0.20 0.00 -0.26 0.00 0.00 57.72 58.33 2gwg n HIS 223 Cb 0.60 -4.36 -0.04 0.00 1.12 0.00 0.00 29.99 27.30 2gwg n HIS 223 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gwg n GLY 224 N -1.72 0.54 1.47 -1.41 0.00 -0.68 -2.15 105.19 101.24 2gwg n GLY 224 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2gwg n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gwg n GLY 225 N -0.81 0.55 7.00 -0.02 0.00 -0.66 -4.47 105.19 106.78 2gwg n GLY 225 Ca -0.22 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2gwg n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gwg n GLY 226 N -2.73 2.50 0.54 -0.02 0.00 -0.91 -1.59 105.19 102.97 2gwg n GLY 226 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.19 2gwg n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gwg n ALA 227 N 10.31 2.87 -0.02 4.61 0.00 -1.26 -4.75 120.51 132.27 2gwg n ALA 227 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 2gwg n ALA 227 Cb 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2gwg n ALA 227 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gwg h VAL 228 N 2.67 0.18 -0.88 0.00 2.07 -1.59 -2.09 116.25 116.61 2gwg h VAL 228 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2gwg h VAL 228 Cb 0.66 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2gwg h VAL 228 CO 0.00 0.00 0.58 -0.65 0.02 0.00 0.00 177.57 177.52 2gwg h PRO 229 N -0.44 1.14 -0.07 1.57 0.11 -1.80 -0.43 132.00 132.08 2gwg h PRO 229 Ca 0.09 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2gwg h PRO 229 Cb 0.60 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2gwg h PRO 229 CO -0.41 0.75 -0.05 -0.92 -0.21 0.00 0.00 178.00 177.16 2gwg h TYR 230 N 1.17 0.10 -0.55 0.65 3.20 -1.80 -2.52 116.97 117.23 2gwg h TYR 230 Ca 0.33 -0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.82 2gwg h TYR 230 Cb -0.10 -0.03 -0.25 0.00 1.54 0.00 0.00 36.73 37.89 2gwg h TYR 230 CO -0.00 0.16 -0.35 0.72 -1.64 0.00 0.00 178.16 177.05 2gwg n HIS 231 N -4.41 1.90 -0.30 -3.82 8.25 -0.57 -4.80 115.22 111.46 2gwg n HIS 231 Ca -0.02 -2.04 0.05 0.00 -0.26 0.00 0.00 57.72 55.46 2gwg n HIS 231 Cb 0.17 -0.51 0.26 0.00 1.12 0.00 0.00 29.99 31.03 2gwg n HIS 231 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 2gwg h TRP 232 N 1.64 1.02 -0.78 4.41 2.91 -0.66 -1.38 115.95 123.11 2gwg h TRP 232 Ca 0.30 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.30 2gwg h TRP 232 Cb 1.40 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 29.68 2gwg h TRP 232 CO 0.97 0.50 0.30 0.78 -1.03 0.00 0.00 178.44 179.96 2gwg h GLY 233 N 0.97 1.25 0.98 2.65 0.00 -1.87 -0.85 103.07 106.21 2gwg h GLY 233 Ca 0.41 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2gwg h GLY 233 CO -0.17 0.65 0.28 -0.09 0.00 0.00 0.00 176.54 177.21 2gwg h ARG 234 N 1.13 0.75 -0.18 4.80 2.43 -1.66 0.10 114.38 121.75 2gwg h ARG 234 Ca 0.26 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.21 2gwg h ARG 234 Cb 0.23 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2gwg h ARG 234 CO -0.02 0.59 -0.43 0.74 -1.51 0.00 0.00 179.97 179.34 2gwg h PHE 235 N 0.71 0.51 -0.44 2.20 -1.00 -1.08 0.24 116.94 118.08 2gwg h PHE 235 Ca 0.19 -0.15 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 2gwg h PHE 235 Cb 0.07 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 2gwg h PHE 235 CO -0.01 0.79 -0.04 0.00 -1.61 0.00 0.00 178.31 177.44 2gwg h ARG 236 N 0.35 0.79 -0.44 1.51 3.08 -0.88 -2.05 114.38 116.74 2gwg h ARG 236 Ca 0.03 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 2gwg h ARG 236 Cb 0.90 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 2gwg h ARG 236 CO 0.08 0.88 0.02 0.78 -1.07 0.00 0.00 179.97 180.65 2gwg h GLY 237 N 0.63 0.76 1.06 0.04 0.00 -0.69 -2.14 103.07 102.74 2gwg h GLY 237 Ca 0.12 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 2gwg h GLY 237 CO 0.03 0.44 -0.26 1.41 0.00 0.00 0.00 176.54 178.16 2gwg h LEU 238 N 0.67 0.92 -1.19 3.11 3.38 -0.80 -1.78 115.31 119.62 2gwg h LEU 238 Ca 0.14 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2gwg h LEU 238 Cb 0.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2gwg h LEU 238 CO 0.01 1.15 0.10 0.00 0.09 0.00 0.00 178.44 179.79 2gwg h ALA 239 N 0.80 1.35 0.16 1.53 0.00 -1.21 -2.83 119.26 119.06 2gwg h ALA 239 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2gwg h ALA 239 Cb 0.84 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2gwg h ALA 239 CO 0.07 0.46 -0.08 0.37 0.00 0.00 0.00 179.25 180.08 2gwg h GLN 240 N 0.64 -0.21 -1.96 0.00 4.15 -1.14 0.65 115.11 117.25 2gwg h GLN 240 Ca 0.15 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2gwg h GLN 240 Cb 0.26 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.00 2gwg h GLN 240 CO -0.00 -0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.29 2gwg n GLU 241 N -5.11 0.15 -2.44 1.69 1.02 -0.69 -4.41 120.64 110.84 2gwg n GLU 241 Ca -0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.03 2gwg n GLU 241 Cb 0.17 -1.43 0.10 0.00 -0.02 0.00 0.00 31.44 30.27 2gwg n GLU 241 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2gwg n LYS 243 N 1.62 1.19 -3.21 3.49 5.02 -0.94 -5.11 118.16 120.22 2gwg n LYS 243 Ca 0.00 -1.25 -0.20 0.00 -2.02 0.00 0.00 58.31 54.83 2gwg n LYS 243 Cb 0.07 0.38 0.01 0.00 -0.02 0.00 0.00 35.03 35.46 2gwg n LYS 243 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2gwg s LYS 244 N -0.01 3.04 1.06 1.97 -0.14 0.18 -5.09 119.74 120.76 2gwg s LYS 244 Ca 0.08 -0.81 -0.14 0.00 -1.36 0.00 0.00 55.97 53.74 2gwg s LYS 244 Cb 0.39 -2.70 0.22 0.00 -1.68 0.00 0.00 37.83 34.06 2gwg s LYS 244 CO -0.11 -0.13 1.10 -2.14 -0.76 0.00 0.00 175.35 173.30 2gwg s PRO 245 N -4.37 -0.11 0.66 -1.68 0.02 -1.26 -4.65 135.00 123.62 2gwg s PRO 245 Ca 0.48 0.35 -0.18 0.00 0.02 0.00 0.00 61.00 61.66 2gwg s PRO 245 Cb -0.10 -1.69 -0.01 0.00 0.02 0.00 0.00 34.50 32.73 2gwg s PRO 245 CO 0.34 -3.05 1.28 1.28 -0.33 0.00 0.00 177.00 176.52 2gwg n LEU 246 N -4.37 5.91 -0.14 -5.54 4.77 -1.26 -4.54 117.00 111.83 2gwg n LEU 246 Ca 0.07 0.81 0.11 0.00 -0.03 0.00 0.00 56.01 56.97 2gwg n LEU 246 Cb 0.58 -1.55 0.44 0.00 -2.33 0.00 0.00 43.42 40.56 2gwg n LEU 246 CO 0.54 -1.06 1.20 -0.07 -1.33 0.00 0.00 177.39 176.68 2gwg h LEU 247 N 0.44 0.49 -1.39 2.23 3.38 -1.93 0.25 115.31 118.78 2gwg h LEU 247 Ca -0.51 0.01 0.21 0.00 0.09 0.00 0.00 57.88 57.69 2gwg h LEU 247 Cb 1.34 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 2gwg h LEU 247 CO 0.52 0.29 0.61 -0.33 0.09 0.00 0.00 178.44 179.63 2gwg h GLU 248 N 0.54 0.47 0.00 1.13 3.07 -1.96 -0.16 114.58 117.67 2gwg h GLU 248 Ca 0.32 -0.03 -0.36 0.00 -0.50 0.00 0.00 59.36 58.79 2gwg h GLU 248 Cb 0.52 -0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.26 2gwg h GLU 248 CO -0.10 0.31 -2.35 -0.25 -1.40 0.00 0.00 179.01 175.21 2gwg n ASP 249 N -4.57 1.21 -0.19 1.42 8.00 -0.35 -3.57 116.55 118.49 2gwg n ASP 249 Ca 0.21 -0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.55 2gwg n ASP 249 Cb 0.70 0.28 0.01 0.00 -0.02 0.00 0.00 41.12 42.09 2gwg n ASP 249 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2gwg h HIS 250 N 0.00 1.01 0.00 1.24 2.76 -0.28 -3.42 115.15 116.47 2gwg h HIS 250 Ca -0.53 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 57.47 2gwg h HIS 250 Cb 2.01 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.70 2gwg h HIS 250 CO 0.01 0.92 -0.30 1.33 -1.30 0.00 0.00 177.93 178.59 2gwg n VAL 251 N -4.30 0.00 1.33 5.26 0.24 -0.21 -4.84 118.33 115.81 2gwg n VAL 251 Ca 0.02 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.38 2gwg n VAL 251 Cb 0.31 0.10 0.40 0.00 -1.47 0.00 0.00 33.84 33.17 2gwg n VAL 251 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2gwg n LEU 252 N -0.51 0.00 -0.71 1.34 4.77 -0.38 -0.15 117.00 121.36 2gwg n LEU 252 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 2gwg n LEU 252 Cb 0.02 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 2gwg n LEU 252 CO 0.00 0.00 0.52 0.59 -1.33 0.00 0.00 177.39 177.17 2gwg n ASN 253 N -0.81 2.46 0.00 -1.43 3.02 -1.26 -4.52 115.26 112.72 2gwg n ASN 253 Ca 0.10 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.92 2gwg n ASN 253 Cb 0.05 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 2gwg n ASN 253 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2gwg n ASN 254 N 0.92 2.01 -4.31 6.41 3.02 -0.38 -4.95 115.26 117.98 2gwg n ASN 254 Ca 0.10 -0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.28 2gwg n ASN 254 Cb 0.45 0.51 -0.16 0.00 -0.61 0.00 0.00 39.78 39.98 2gwg n ASN 254 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2gwg s ILE 255 N -0.91 2.41 0.11 2.41 1.01 0.78 -0.88 121.20 126.12 2gwg s ILE 255 Ca 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.78 2gwg s ILE 255 Cb 0.00 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 2gwg s ILE 255 CO 0.00 0.56 -0.16 -0.36 0.00 0.00 0.00 174.94 174.99 2gwg s PHE 256 N -0.10 1.45 -0.03 3.97 0.08 -0.13 -4.67 117.98 118.56 2gwg s PHE 256 Ca -0.04 -0.50 0.07 0.00 0.12 0.00 0.00 56.93 56.58 2gwg s PHE 256 Cb -0.14 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 41.51 2gwg s PHE 256 CO 0.04 0.15 -0.23 -0.06 -0.10 0.00 0.00 175.22 175.02 2gwg s PHE 257 N -1.70 2.42 0.54 0.36 2.99 0.42 0.06 117.98 123.07 2gwg s PHE 257 Ca 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 56.93 56.60 2gwg s PHE 257 Cb -0.07 -1.54 0.02 0.00 0.00 0.00 0.00 43.02 41.43 2gwg s PHE 257 CO 0.03 0.01 0.79 0.16 -0.00 0.00 0.00 175.22 176.21 2gwg s ASP 258 N -0.62 5.45 -0.32 1.36 1.47 -1.10 -0.81 116.67 122.10 2gwg s ASP 258 Ca 0.10 0.25 0.02 0.00 1.18 0.00 0.00 52.55 54.10 2gwg s ASP 258 Cb -0.10 -1.24 0.43 0.00 -0.34 0.00 0.00 42.92 41.67 2gwg s ASP 258 CO -0.00 -1.04 1.67 0.35 0.68 0.00 0.00 175.17 176.82 2gwg n THR 259 N -2.36 2.55 -1.60 2.11 -2.24 -0.54 -1.69 114.28 110.51 2gwg n THR 259 Ca 0.05 -1.39 -0.41 0.00 -2.27 0.00 0.00 64.05 60.03 2gwg n THR 259 Cb 0.59 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 2gwg n THR 259 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gwg s VAL 261 N 2.79 1.61 -0.23 0.00 1.01 -1.26 -4.19 120.40 120.13 2gwg s VAL 261 Ca 0.54 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2gwg s VAL 261 Cb 0.15 -1.67 0.11 0.00 0.00 0.00 0.00 36.38 34.98 2gwg s VAL 261 CO -0.08 0.20 2.20 -1.22 0.00 0.00 0.00 175.10 176.21 2gwg n TYR 262 N 4.70 1.06 -3.59 5.22 4.01 -1.26 -4.73 117.16 122.58 2gwg n TYR 262 Ca -0.15 -1.69 -0.10 0.00 -0.16 0.00 0.00 57.90 55.80 2gwg n TYR 262 Cb 0.47 -0.93 -0.05 0.00 -0.31 0.00 0.00 39.34 38.52 2gwg n TYR 262 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2gwg s HIS 263 N -1.16 -0.37 0.18 -0.72 -3.43 -1.26 -4.84 115.29 103.68 2gwg s HIS 263 Ca 0.29 0.68 -0.13 0.00 -0.80 0.00 0.00 55.06 55.10 2gwg s HIS 263 Cb 0.20 0.44 0.16 0.00 -1.43 0.00 0.00 32.58 31.95 2gwg s HIS 263 CO -0.03 -0.32 1.77 0.37 -2.00 0.00 0.00 174.74 174.53 2gwg h GLN 264 N 2.77 0.42 -0.97 -0.38 5.75 -1.96 -2.37 115.11 118.36 2gwg h GLN 264 Ca -0.19 -0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.39 2gwg h GLN 264 Cb 1.16 -0.09 -0.08 0.00 1.07 0.00 0.00 27.48 29.54 2gwg h GLN 264 CO 0.28 0.27 0.62 -1.35 -2.65 0.00 0.00 178.83 176.01 2gwg h PRO 265 N 0.43 0.95 -0.29 -2.39 0.11 -1.98 0.21 132.00 129.04 2gwg h PRO 265 Ca 0.23 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.18 2gwg h PRO 265 Cb 0.20 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2gwg h PRO 265 CO -0.20 0.63 -0.21 0.78 -0.21 0.00 0.00 178.00 178.79 2gwg h GLY 266 N 0.98 0.72 1.01 -0.55 0.00 -1.85 -1.45 103.07 101.93 2gwg h GLY 266 Ca 0.47 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2gwg h GLY 266 CO -0.23 0.63 0.35 -2.22 0.00 0.00 0.00 176.54 175.07 2gwg h ILE 267 N 0.41 1.23 -0.77 2.60 1.08 -0.87 -0.44 117.51 120.74 2gwg h ILE 267 Ca 0.06 -0.64 -0.05 0.00 -0.39 0.00 0.00 64.86 63.84 2gwg h ILE 267 Cb 0.76 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 2gwg h ILE 267 CO 0.06 0.27 0.30 0.44 -0.69 0.00 0.00 178.15 178.53 2gwg h ASP 268 N 1.00 1.06 -0.30 1.72 3.32 -0.47 -0.54 116.42 122.22 2gwg h ASP 268 Ca 0.25 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2gwg h ASP 268 Cb 0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2gwg h ASP 268 CO -0.03 0.95 0.09 0.25 -1.72 0.00 0.00 179.24 178.77 2gwg h LEU 269 N 1.13 0.44 -0.58 1.55 5.85 -0.79 -1.41 115.31 121.49 2gwg h LEU 269 Ca 0.26 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.86 2gwg h LEU 269 Cb 0.22 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 2gwg h LEU 269 CO -0.02 0.53 0.18 0.25 -0.34 0.00 0.00 178.44 179.04 2gwg h LEU 270 N 0.32 0.12 0.00 2.25 5.85 -0.60 -0.63 115.31 122.62 2gwg h LEU 270 Ca 0.10 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2gwg h LEU 270 Cb 0.25 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2gwg h LEU 270 CO -0.00 0.08 0.00 0.59 -0.34 0.00 0.00 178.44 178.77 2gwg n ASN 271 N -5.05 0.00 0.04 1.25 3.02 -0.25 -1.50 115.26 112.76 2gwg n ASN 271 Ca 0.08 0.08 -0.22 0.00 -0.03 0.00 0.00 54.58 54.49 2gwg n ASN 271 Cb 0.28 -0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 38.95 2gwg n ASN 271 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2gwg h THR 272 N 0.00 0.85 0.00 3.41 2.02 -0.00 -3.41 112.91 115.78 2gwg h THR 272 Ca 0.00 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.75 2gwg h THR 272 Cb 0.33 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2gwg h THR 272 CO 0.00 0.83 -1.51 1.33 0.37 0.00 0.00 175.52 176.54 2gwg n VAL 273 N -3.64 0.00 -3.96 3.16 0.24 -0.88 -4.95 118.33 108.29 2gwg n VAL 273 Ca -0.27 -0.31 -0.35 0.00 -2.04 0.00 0.00 64.34 61.37 2gwg n VAL 273 Cb 1.02 0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 33.60 2gwg n VAL 273 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2gwg s ILE 274 N -2.91 4.77 0.50 1.34 -1.09 -0.56 -5.07 121.20 118.17 2gwg s ILE 274 Ca -0.04 -0.04 -0.22 0.00 -2.23 0.00 0.00 60.65 58.12 2gwg s ILE 274 Cb 0.10 -3.16 -0.08 0.00 -1.58 0.00 0.00 42.46 37.74 2gwg s ILE 274 CO 0.61 0.44 1.08 -2.65 -1.23 0.00 0.00 174.94 173.19 2gwg n PRO 275 N 3.73 1.34 -0.25 2.79 -0.02 -1.26 -4.65 135.00 136.69 2gwg n PRO 275 Ca -0.16 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2gwg n PRO 275 Cb 0.52 -2.20 0.32 0.00 -0.02 0.00 0.00 33.50 32.11 2gwg n PRO 275 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2gwg h VAL 276 N 1.28 0.99 -0.27 -1.45 2.07 -1.95 -0.55 116.25 116.36 2gwg h VAL 276 Ca -0.47 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 66.84 2gwg h VAL 276 Cb 1.33 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2gwg h VAL 276 CO 0.55 0.15 0.28 0.44 0.02 0.00 0.00 177.57 179.01 2gwg h ASP 277 N 0.84 0.00 -0.63 0.57 3.32 -1.97 -2.05 116.42 116.50 2gwg h ASP 277 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2gwg h ASP 277 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2gwg h ASP 277 CO -0.14 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.97 2gwg n ASN 278 N -3.87 3.47 -4.30 6.45 3.02 -0.22 -4.89 115.26 114.92 2gwg n ASN 278 Ca 0.04 -2.00 -0.34 0.00 -0.03 0.00 0.00 54.58 52.25 2gwg n ASN 278 Cb 0.42 -0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 2gwg n ASN 278 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gwg s VAL 279 N -1.16 3.12 -0.14 2.41 1.01 -0.77 -0.43 120.40 124.44 2gwg s VAL 279 Ca 0.43 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2gwg s VAL 279 Cb 0.23 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2gwg s VAL 279 CO 0.30 0.47 -0.15 -0.76 0.00 0.00 0.00 175.10 174.95 2gwg s LEU 280 N 1.16 2.54 0.35 3.92 2.01 0.01 -4.41 118.68 124.27 2gwg s LEU 280 Ca 0.02 -0.42 -0.29 0.00 0.01 0.00 0.00 54.13 53.45 2gwg s LEU 280 Cb -0.14 -1.57 -0.11 0.00 0.01 0.00 0.00 46.19 44.38 2gwg s LEU 280 CO -0.02 0.12 1.49 0.12 1.01 0.00 0.00 176.35 179.07 2gwg s PHE 281 N 0.59 2.67 -0.04 0.29 5.36 0.13 -1.46 117.98 125.52 2gwg s PHE 281 Ca -0.09 1.10 -0.29 0.00 -0.96 0.00 0.00 56.93 56.69 2gwg s PHE 281 Cb -0.16 -4.00 0.11 0.00 -0.34 0.00 0.00 43.02 38.63 2gwg s PHE 281 CO 0.03 -3.02 0.90 0.00 -1.46 0.00 0.00 175.22 171.67 2gwg s ALA 282 N -0.85 -1.84 0.00 11.12 0.00 -1.26 -2.32 121.76 126.60 2gwg s ALA 282 Ca 0.55 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2gwg s ALA 282 Cb -0.46 0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2gwg s ALA 282 CO 0.59 -0.60 0.00 -1.13 0.00 0.00 0.00 175.76 174.61 2gwg n SER 283 N -0.01 0.65 -2.20 0.00 3.41 -1.26 -3.80 113.62 110.42 2gwg n SER 283 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2gwg n SER 283 Cb 0.61 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2gwg n SER 283 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2gwg n GLU 284 N -0.39 -2.90 -1.62 4.33 2.13 -0.08 -4.89 120.64 117.23 2gwg n GLU 284 Ca 0.00 2.10 0.00 0.00 0.66 0.00 0.00 57.16 59.92 2gwg n GLU 284 Cb 0.03 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 28.89 2gwg n GLU 284 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2gwg n ILE 286 N 1.92 0.00 0.00 6.31 5.41 -1.26 -4.53 119.36 127.21 2gwg n ILE 286 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2gwg n ILE 286 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2gwg n ILE 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gwg n GLY 287 N -0.62 2.66 0.18 7.39 0.00 -1.26 -4.74 105.19 108.81 2gwg n GLY 287 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 2gwg n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gwg h ALA 288 N 1.00 -0.38 -3.34 4.61 0.00 -1.98 -3.40 119.26 115.76 2gwg h ALA 288 Ca 0.00 -0.11 -0.69 0.00 0.00 0.00 0.00 54.91 54.11 2gwg h ALA 288 Cb 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 17.79 17.63 2gwg h ALA 288 CO 0.00 -0.68 -0.66 0.08 0.00 0.00 0.00 179.25 177.99 2gwg s VAL 289 N -5.86 3.36 -0.68 0.00 1.01 -1.26 -4.94 120.40 112.03 2gwg s VAL 289 Ca -0.15 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.65 2gwg s VAL 289 Cb 0.04 -2.91 0.20 0.00 0.00 0.00 0.00 36.38 33.71 2gwg s VAL 289 CO 0.63 -0.13 1.13 0.54 0.00 0.00 0.00 175.10 177.27 2gwg n ARG 290 N 4.71 2.62 -2.16 2.72 1.74 -1.26 -4.47 116.66 120.56 2gwg n ARG 290 Ca -0.13 -1.79 -0.27 0.00 -0.77 0.00 0.00 57.85 54.89 2gwg n ARG 290 Cb 0.44 -1.18 0.11 0.00 -1.02 0.00 0.00 32.46 30.81 2gwg n ARG 290 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2gwg s GLY 291 N -0.96 1.71 -0.15 -0.13 0.00 -1.26 -4.94 107.32 101.59 2gwg s GLY 291 Ca 0.15 -1.11 -0.06 0.00 0.00 0.00 0.00 44.72 43.71 2gwg s GLY 291 CO 0.11 -0.57 0.05 -0.42 0.00 0.00 0.00 173.10 172.27 2gwg s ILE 292 N -3.44 4.67 -0.43 0.90 1.01 -1.26 -2.49 121.20 120.17 2gwg s ILE 292 Ca 0.65 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.92 2gwg s ILE 292 Cb -0.08 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.36 2gwg s ILE 292 CO 0.47 0.52 1.17 -0.62 0.00 0.00 0.00 174.94 176.49 2gwg s ASP 293 N -0.15 6.66 0.67 3.58 -1.08 -0.38 -4.89 116.67 121.07 2gwg s ASP 293 Ca 0.07 0.68 0.44 0.00 -0.52 0.00 0.00 52.55 53.21 2gwg s ASP 293 Cb -0.12 -2.55 2.39 0.00 -1.46 0.00 0.00 42.92 41.18 2gwg s ASP 293 CO 0.01 -1.19 2.36 1.55 0.52 0.00 0.00 175.17 178.42 2gwg h PRO 294 N 9.18 0.00 0.06 4.34 0.13 -1.94 0.38 132.00 144.15 2gwg h PRO 294 Ca -0.23 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.62 2gwg h PRO 294 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2gwg h PRO 294 CO 1.10 0.00 -1.47 0.00 -0.23 0.00 0.00 178.00 177.40 2gwg h ARG 295 N 0.00 0.13 0.00 0.86 3.08 -1.95 -3.35 114.38 113.15 2gwg h ARG 295 Ca 0.00 -0.22 -0.24 0.00 0.07 0.00 0.00 59.98 59.60 2gwg h ARG 295 Cb 0.02 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2gwg h ARG 295 CO -0.00 0.93 -1.84 0.25 -1.07 0.00 0.00 179.97 178.24 2gwg n THR 296 N -3.32 1.21 -0.10 2.04 -2.24 -0.95 -4.98 114.28 105.93 2gwg n THR 296 Ca -0.13 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2gwg n THR 296 Cb 1.02 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2gwg n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gwg n GLY 297 N 1.52 1.34 3.56 3.38 0.00 0.13 -5.03 105.19 110.09 2gwg n GLY 297 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 2gwg n GLY 297 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gwg s PHE 298 N -2.59 2.14 0.34 1.61 -0.12 -1.24 -4.85 117.98 113.26 2gwg s PHE 298 Ca 0.00 -0.89 -0.29 0.00 -0.05 0.00 0.00 56.93 55.71 2gwg s PHE 298 Cb 0.00 -1.50 -0.11 0.00 -0.63 0.00 0.00 43.02 40.78 2gwg s PHE 298 CO 0.00 0.17 1.42 0.71 -0.05 0.00 0.00 175.22 177.47 2gwg s TYR 299 N -3.01 2.81 0.25 3.49 1.51 -1.26 -1.25 117.35 119.88 2gwg s TYR 299 Ca 0.30 1.21 -0.04 0.00 -1.01 0.00 0.00 57.07 57.54 2gwg s TYR 299 Cb 0.08 -3.88 0.44 0.00 -0.11 0.00 0.00 41.96 38.48 2gwg s TYR 299 CO 0.15 -2.60 1.78 1.88 -1.11 0.00 0.00 175.55 175.65 2gwg h TYR 300 N 3.51 0.75 -0.23 2.71 0.05 -1.81 -2.46 116.97 119.49 2gwg h TYR 300 Ca -0.49 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.32 2gwg h TYR 300 Cb 1.23 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.76 2gwg h TYR 300 CO 0.55 0.24 0.00 -0.40 -1.05 0.00 0.00 178.16 177.50 2gwg n ASP 301 N -4.83 1.57 -3.67 3.88 5.68 -1.26 -4.44 116.55 113.47 2gwg n ASP 301 Ca 0.14 -2.06 -0.41 0.00 -0.50 0.00 0.00 54.79 51.96 2gwg n ASP 301 Cb 0.34 -0.25 -0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2gwg n ASP 301 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2gwg n ASP 302 N 0.21 6.11 0.29 -1.12 -0.08 -0.93 -4.75 116.55 116.28 2gwg n ASP 302 Ca 0.08 -3.00 0.14 0.00 -1.51 0.00 0.00 54.79 50.50 2gwg n ASP 302 Cb 0.28 -1.49 0.87 0.00 2.34 0.00 0.00 41.12 43.12 2gwg n ASP 302 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2gwg h THR 303 N 3.39 0.57 -0.38 5.18 1.35 -1.86 -2.38 112.91 118.78 2gwg h THR 303 Ca 0.57 -0.08 0.08 0.00 -0.55 0.00 0.00 66.41 66.43 2gwg h THR 303 Cb 0.50 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 2gwg h THR 303 CO 1.66 0.02 0.26 0.50 -0.25 0.00 0.00 175.52 177.71 2gwg h LYS 304 N 0.00 0.16 -0.18 4.72 3.64 -1.89 -0.54 116.57 122.49 2gwg h LYS 304 Ca -0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2gwg h LYS 304 Cb 0.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2gwg h LYS 304 CO 0.00 0.11 -0.08 0.00 -2.27 0.00 0.00 179.45 177.21 2gwg h ARG 305 N 0.17 0.27 -0.14 1.90 3.08 -1.80 -0.05 114.38 117.81 2gwg h ARG 305 Ca 0.17 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 2gwg h ARG 305 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2gwg h ARG 305 CO -0.03 0.37 -0.62 1.88 -1.07 0.00 0.00 179.97 180.51 2gwg h TYR 306 N 0.26 0.62 -0.16 3.04 0.05 -1.27 -0.20 116.97 119.31 2gwg h TYR 306 Ca 0.06 -0.24 -0.09 0.00 0.05 0.00 0.00 58.73 58.51 2gwg h TYR 306 Cb 0.32 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 2gwg h TYR 306 CO 0.01 0.97 -0.26 0.82 -1.05 0.00 0.00 178.16 178.64 2gwg h ILE 307 N 0.35 1.35 -0.84 -2.88 1.08 -1.27 -2.29 117.51 113.02 2gwg h ILE 307 Ca -0.01 -1.49 -0.00 0.00 -0.39 0.00 0.00 64.86 62.97 2gwg h ILE 307 Cb 1.16 1.94 -0.04 0.00 -3.07 0.00 0.00 36.82 36.81 2gwg h ILE 307 CO 0.11 0.45 0.52 -0.33 -0.69 0.00 0.00 178.15 178.21 2gwg h GLU 308 N 0.09 1.13 0.00 2.37 4.39 -0.97 -2.49 114.58 119.10 2gwg h GLU 308 Ca 0.01 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2gwg h GLU 308 Cb 0.84 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2gwg h GLU 308 CO 0.06 0.78 0.00 0.00 -1.16 0.00 0.00 179.01 178.69 2gwg h ALA 309 N 1.28 1.00 -2.69 3.43 0.00 -1.01 -3.46 119.26 117.81 2gwg h ALA 309 Ca 0.30 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.67 2gwg h ALA 309 Cb -0.07 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.81 2gwg h ALA 309 CO -0.06 0.00 0.79 0.45 0.00 0.00 0.00 179.25 180.43 2gwg n SER 310 N -2.60 3.57 -0.27 0.00 2.88 -0.87 -4.89 113.62 111.45 2gwg n SER 310 Ca 0.03 1.16 0.07 0.00 -1.33 0.00 0.00 58.87 58.80 2gwg n SER 310 Cb 0.35 -1.56 -0.02 0.00 -0.75 0.00 0.00 64.21 62.23 2gwg n SER 310 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2gwg n THR 311 N 1.78 0.00 0.12 2.46 -2.24 -1.26 -4.40 114.28 110.73 2gwg n THR 311 Ca 0.08 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.33 2gwg n THR 311 Cb 0.36 1.14 -0.16 0.00 -2.10 0.00 0.00 70.33 69.57 2gwg n THR 311 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2gwg h ILE 312 N 1.32 1.20 -3.59 2.28 2.04 -1.97 -3.46 117.51 115.34 2gwg h ILE 312 Ca 0.00 -2.63 -0.52 0.00 1.00 0.00 0.00 64.86 62.72 2gwg h ILE 312 Cb 0.49 2.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.51 2gwg h ILE 312 CO 0.00 0.81 0.22 -0.76 0.00 0.00 0.00 178.15 178.42 2gwg s LEU 313 N -7.54 4.58 0.64 1.44 1.43 -1.26 -5.07 118.68 112.89 2gwg s LEU 313 Ca -0.12 1.70 -0.07 0.00 -1.03 0.00 0.00 54.13 54.61 2gwg s LEU 313 Cb 0.04 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.88 2gwg s LEU 313 CO 0.91 0.18 0.97 0.42 0.23 0.00 0.00 176.35 179.05 2gwg s THR 314 N -1.20 3.26 0.24 5.49 -4.23 -1.26 -4.88 115.64 113.06 2gwg s THR 314 Ca 0.38 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.86 2gwg s THR 314 Cb -0.23 -3.34 0.21 0.00 1.34 0.00 0.00 72.50 70.48 2gwg s THR 314 CO 0.27 -0.37 1.82 -0.65 -0.54 0.00 0.00 174.62 175.15 2gwg h PRO 315 N -0.38 0.81 -0.51 3.99 0.11 -1.97 -1.24 132.00 132.81 2gwg h PRO 315 Ca -0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2gwg h PRO 315 Cb 1.27 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2gwg h PRO 315 CO 0.61 0.54 0.01 0.93 -0.21 0.00 0.00 178.00 179.88 2gwg h GLU 316 N 0.84 0.84 -0.07 1.05 3.07 -2.00 -2.45 114.58 115.85 2gwg h GLU 316 Ca 0.38 -0.23 -0.11 0.00 -0.50 0.00 0.00 59.36 58.90 2gwg h GLU 316 Cb 0.28 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2gwg h GLU 316 CO -0.22 0.83 -0.48 0.93 -1.40 0.00 0.00 179.01 178.68 2gwg h GLU 317 N 0.79 0.18 -0.43 2.33 5.08 -1.70 -2.18 114.58 118.65 2gwg h GLU 317 Ca 0.15 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2gwg h GLU 317 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2gwg h GLU 317 CO 0.02 0.62 -0.19 0.87 -1.00 0.00 0.00 179.01 179.33 2gwg h LYS 318 N 0.14 0.84 -0.03 2.33 1.57 -0.87 -1.73 116.57 118.82 2gwg h LYS 318 Ca 0.01 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.38 2gwg h LYS 318 Cb 0.90 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2gwg h LYS 318 CO 0.07 0.96 -0.35 0.37 -0.57 0.00 0.00 179.45 179.93 2gwg h GLN 319 N 0.74 0.06 -0.28 3.15 5.75 -1.18 0.93 115.11 124.28 2gwg h GLN 319 Ca 0.11 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 2gwg h GLN 319 Cb 0.72 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 2gwg h GLN 319 CO 0.05 0.41 0.07 1.96 -2.65 0.00 0.00 178.83 178.67 2gwg h GLN 320 N 0.05 0.45 -0.40 1.69 4.20 -0.89 0.34 115.11 120.55 2gwg h GLN 320 Ca 0.00 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 2gwg h GLN 320 Cb 0.65 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2gwg h GLN 320 CO 0.05 0.54 -0.10 0.82 -0.67 0.00 0.00 178.83 179.47 2gwg h ILE 321 N 0.28 1.25 -0.00 2.54 2.04 -0.71 0.80 117.51 123.71 2gwg h ILE 321 Ca 0.09 -1.11 -0.20 0.00 1.00 0.00 0.00 64.86 64.64 2gwg h ILE 321 Cb 0.29 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2gwg h ILE 321 CO 0.00 0.38 -0.86 1.88 0.00 0.00 0.00 178.15 179.54 2gwg h TYR 322 N 0.64 0.32 0.00 1.37 0.05 -0.61 0.40 116.97 119.14 2gwg h TYR 322 Ca 0.11 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2gwg h TYR 322 Cb 0.54 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2gwg h TYR 322 CO 0.03 0.98 0.00 -1.91 -1.05 0.00 0.00 178.16 176.20 2gwg n GLU 323 N -3.68 0.00 -0.20 4.88 2.13 0.08 -0.79 120.64 123.06 2gwg n GLU 323 Ca -0.04 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.76 2gwg n GLU 323 Cb 0.80 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.55 2gwg n GLU 323 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2gwg h GLY 324 N 0.00 0.25 0.96 8.31 0.00 -1.19 -1.86 103.07 109.54 2gwg h GLY 324 Ca 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 2gwg h GLY 324 CO 0.00 -0.23 0.15 3.43 0.00 0.00 0.00 176.54 179.88 2gwg h ASN 325 N -0.07 0.69 -0.52 0.19 2.35 -1.12 -2.79 115.58 114.31 2gwg h ASN 325 Ca 0.28 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2gwg h ASN 325 Cb 0.50 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2gwg h ASN 325 CO -0.65 0.72 0.24 0.00 -1.65 0.00 0.00 177.43 176.08 2gwg h ALA 326 N 1.00 1.37 0.00 -0.83 0.00 -1.68 -0.01 119.26 119.12 2gwg h ALA 326 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2gwg h ALA 326 Cb 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2gwg h ALA 326 CO -0.00 0.48 -0.12 0.00 0.00 0.00 0.00 179.25 179.61 2gwg h ARG 327 N 0.79 0.00 0.15 0.00 3.08 -1.10 0.47 114.38 117.77 2gwg h ARG 327 Ca 0.19 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.88 2gwg h ARG 327 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2gwg h ARG 327 CO -0.02 0.12 -1.91 -0.09 -1.07 0.00 0.00 179.97 177.00 2gwg h ARG 328 N 0.00 0.31 0.00 0.04 2.43 -1.11 -3.37 114.38 112.68 2gwg h ARG 328 Ca -0.00 -0.54 -0.13 0.00 -0.81 0.00 0.00 59.98 58.50 2gwg h ARG 328 Cb 0.57 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2gwg h ARG 328 CO 0.02 1.26 -0.61 0.28 -1.51 0.00 0.00 179.97 179.40 2gwg h VAL 329 N 0.08 1.32 -2.91 0.20 2.07 -0.94 -3.36 116.25 112.71 2gwg h VAL 329 Ca -0.40 -2.18 -0.66 0.00 0.82 0.00 0.00 66.70 64.29 2gwg h VAL 329 Cb 2.06 2.22 -0.39 0.00 -1.52 0.00 0.00 31.29 33.65 2gwg h VAL 329 CO 0.12 0.60 -0.32 -1.22 0.02 0.00 0.00 177.57 176.77 2gwg n TYR 330 N -3.64 3.60 -0.27 1.57 4.02 0.15 -4.28 117.16 118.32 2gwg n TYR 330 Ca -0.01 -4.09 0.21 0.00 -0.01 0.00 0.00 57.90 54.01 2gwg n TYR 330 Cb 0.65 -0.82 0.52 0.00 -0.02 0.00 0.00 39.34 39.67 2gwg n TYR 330 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2gwg h PRO 331 N 5.26 0.37 -0.06 -0.72 0.11 -1.72 0.18 132.00 135.43 2gwg h PRO 331 Ca 0.17 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 2gwg h PRO 331 Cb 0.73 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2gwg h PRO 331 CO 0.84 0.24 -0.31 0.00 -0.21 0.00 0.00 178.00 178.57 2gwg h ARG 332 N 0.38 0.11 -0.11 1.05 2.47 -1.86 -1.41 114.38 115.01 2gwg h ARG 332 Ca 0.51 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 59.10 2gwg h ARG 332 Cb 1.32 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 2gwg h ARG 332 CO -0.20 0.41 -0.27 1.25 0.56 0.00 0.00 179.97 181.71 2gwg h LEU 333 N 0.10 0.43 -0.63 3.04 5.85 -0.96 -1.66 115.31 121.49 2gwg h LEU 333 Ca 0.01 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.19 2gwg h LEU 333 Cb 0.60 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2gwg h LEU 333 CO 0.04 0.94 0.38 -0.78 -0.34 0.00 0.00 178.44 178.68 2gwg h ASP 334 N -0.05 0.60 -0.77 1.25 3.58 -1.13 -0.81 116.42 119.08 2gwg h ASP 334 Ca -0.00 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2gwg h ASP 334 Cb 0.88 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.78 2gwg h ASP 334 CO 0.06 0.41 0.27 0.00 -2.88 0.00 0.00 179.24 177.10 2gwg h ALA 335 N 1.29 1.02 -0.44 -0.78 0.00 -1.24 -1.36 119.26 117.74 2gwg h ALA 335 Ca 0.26 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2gwg h ALA 335 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2gwg h ALA 335 CO -0.12 0.67 -0.12 0.00 0.00 0.00 0.00 179.25 179.67 2gwg h ALA 336 N 1.15 0.94 -0.32 0.00 0.00 -0.68 -1.87 119.26 118.48 2gwg h ALA 336 Ca 0.25 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2gwg h ALA 336 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2gwg h ALA 336 CO -0.01 0.62 -0.26 -0.07 0.00 0.00 0.00 179.25 179.53 2gwg h LEU 337 N 0.73 0.78 -1.08 0.00 3.38 -0.90 -2.02 115.31 116.20 2gwg h LEU 337 Ca 0.12 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2gwg h LEU 337 Cb 0.62 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2gwg h LEU 337 CO 0.04 1.07 0.03 0.11 0.09 0.00 0.00 178.44 179.77 2gwg h LYS 338 N 0.51 0.68 -0.17 1.13 1.57 -1.14 -2.50 116.57 116.65 2gwg h LYS 338 Ca 0.06 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.51 2gwg h LYS 338 Cb 0.82 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 2gwg h LYS 338 CO 0.07 0.68 -0.60 0.00 -0.57 0.00 0.00 179.45 179.02 2gwg h ALA 339 N 1.39 0.63 -0.24 3.86 0.00 -1.26 -2.77 119.26 120.86 2gwg h ALA 339 Ca 0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2gwg h ALA 339 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2gwg h ALA 339 CO 0.01 0.70 0.08 -0.22 0.00 0.00 0.00 179.25 179.82 2gwg h LYS 340 N 0.43 0.37 0.00 0.00 3.64 -1.12 -1.95 116.57 117.94 2gwg h LYS 340 Ca -0.00 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2gwg h LYS 340 Cb 1.17 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2gwg h LYS 340 CO 0.11 0.44 -0.30 0.78 -2.27 0.00 0.00 179.45 178.21 2gwg h GLY 341 N 0.23 0.00 1.71 5.01 0.00 -1.49 -2.25 103.07 106.27 2gwg h GLY 341 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 2gwg h GLY 341 CO -0.00 0.00 -0.66 1.70 0.00 0.00 0.00 176.54 177.57 2gwg h LYS 342 N 0.00 0.29 0.05 4.80 3.64 -1.19 -2.44 116.57 121.72 2gwg h LYS 342 Ca -0.00 -0.22 -0.24 0.00 -1.27 0.00 0.00 60.65 58.92 2gwg h LYS 342 Cb 0.58 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2gwg h LYS 342 CO 0.04 0.85 -1.04 1.25 -2.27 0.00 0.00 179.45 178.28 2gwg h LEU 343 N 0.21 0.41 -0.38 5.20 7.12 -1.06 -3.15 115.31 123.66 2gwg h LEU 343 Ca -0.02 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 57.62 2gwg h LEU 343 Cb 1.20 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 2gwg h LEU 343 CO 0.11 1.22 0.00 -0.33 -0.13 0.00 0.00 178.44 179.30 2gwg h GLU 344 N 0.14 0.00 -0.01 1.25 5.08 -1.40 -3.52 114.58 116.12 2gwg h GLU 344 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2gwg h GLU 344 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 2gwg h GLU 344 CO 0.17 0.00 0.00 1.58 -1.00 0.00 0.00 179.01 179.76