#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gee n VAL 10 N 0.00 0.00 -2.43 -1.45 0.31 -1.26 -4.94 118.33 108.56 3gee n VAL 10 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 3gee n VAL 10 Cb 0.00 -0.30 -0.03 0.00 -0.91 0.00 0.00 33.84 32.60 3gee n VAL 10 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3gee s PRO 11 N 1.81 3.77 0.83 5.55 0.04 -1.26 -5.07 135.00 140.66 3gee s PRO 11 Ca 0.64 1.22 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 3gee s PRO 11 Cb -0.92 -2.10 0.17 0.00 0.04 0.00 0.00 34.50 31.70 3gee s PRO 11 CO 0.50 -0.44 1.14 0.20 0.04 0.00 0.00 177.00 178.44 3gee s GLY 12 N -2.39 1.77 0.32 0.56 0.00 -1.26 -4.69 107.32 101.63 3gee s GLY 12 Ca 0.64 -1.70 -0.29 0.00 0.00 0.00 0.00 44.72 43.37 3gee s GLY 12 CO 0.25 -1.00 1.42 1.57 0.00 0.00 0.00 173.10 175.34 3gee n HIS 13 N -3.22 2.54 -1.70 1.90 -0.00 -1.26 -0.93 115.22 112.54 3gee n HIS 13 Ca 0.17 0.45 -0.43 0.00 0.46 0.00 0.00 57.72 58.36 3gee n HIS 13 Cb 0.60 -2.49 -0.03 0.00 -0.12 0.00 0.00 29.99 27.95 3gee n HIS 13 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3gee n PRO 14 N 1.13 2.65 -4.34 1.57 -0.04 -1.26 -4.55 135.00 130.16 3gee n PRO 14 Ca 0.06 0.96 -0.20 0.00 -0.04 0.00 0.00 63.50 64.27 3gee n PRO 14 Cb 0.36 -2.80 -0.13 0.00 -0.04 0.00 0.00 33.50 30.89 3gee n PRO 14 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3gee s ILE 15 N 1.49 1.19 0.15 0.52 -4.36 0.43 -1.46 121.20 119.16 3gee s ILE 15 Ca 0.78 -1.10 0.08 0.00 -0.26 0.00 0.00 60.65 60.14 3gee s ILE 15 Cb -0.54 -1.08 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 3gee s ILE 15 CO 0.35 -0.03 -0.17 0.00 0.24 0.00 0.00 174.94 175.33 3gee s ALA 16 N -0.95 1.84 -0.22 2.27 0.00 0.39 -1.14 121.76 123.95 3gee s ALA 16 Ca 0.02 -1.44 -0.27 0.00 0.00 0.00 0.00 51.96 50.26 3gee s ALA 16 Cb -0.08 -0.14 0.12 0.00 0.00 0.00 0.00 23.12 23.02 3gee s ALA 16 CO 0.02 0.18 1.00 0.00 0.00 0.00 0.00 175.76 176.96 3gee s ALA 17 N -2.15 -1.95 0.11 0.00 0.00 -1.09 -1.44 121.76 115.24 3gee s ALA 17 Ca 0.14 1.74 -0.31 0.00 0.00 0.00 0.00 51.96 53.53 3gee s ALA 17 Cb -0.05 -1.10 -0.08 0.00 0.00 0.00 0.00 23.12 21.89 3gee s ALA 17 CO 0.05 -0.27 1.45 0.42 0.00 0.00 0.00 175.76 177.41 3gee s ILE 18 N -0.35 3.20 -0.45 0.00 -1.09 -1.26 -1.05 121.20 120.20 3gee s ILE 18 Ca 0.01 0.83 0.13 0.00 -2.23 0.00 0.00 60.65 59.39 3gee s ILE 18 Cb -0.03 -3.53 -0.17 0.00 -1.58 0.00 0.00 42.46 37.15 3gee s ILE 18 CO -0.02 0.05 0.49 0.00 -1.23 0.00 0.00 174.94 174.23 3gee n ALA 19 N 4.24 3.38 -2.79 9.38 0.00 0.95 -4.25 120.51 131.43 3gee n ALA 19 Ca 0.12 -0.36 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 3gee n ALA 19 Cb 0.42 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 3gee n ALA 19 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gee s THR 20 N -2.48 4.72 0.57 0.00 -4.23 -1.25 -4.93 115.64 108.05 3gee s THR 20 Ca 0.02 -1.07 -0.20 0.00 -1.18 0.00 0.00 61.69 59.25 3gee s THR 20 Cb 0.10 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 3gee s THR 20 CO 0.56 -0.28 1.30 -2.84 -0.54 0.00 0.00 174.62 172.82 3gee s PRO 21 N -4.01 3.01 0.40 3.99 0.02 -1.26 -4.94 135.00 132.20 3gee s PRO 21 Ca 0.37 2.08 -0.27 0.00 0.02 0.00 0.00 61.00 63.20 3gee s PRO 21 Cb -0.09 -2.10 -0.10 0.00 0.02 0.00 0.00 34.50 32.23 3gee s PRO 21 CO 0.29 -1.25 1.42 0.28 -0.33 0.00 0.00 177.00 177.41 3gee n VAL 22 N -1.31 2.32 0.00 3.83 0.31 -1.26 -4.87 118.33 117.35 3gee n VAL 22 Ca 0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3gee n VAL 22 Cb 0.47 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3gee n VAL 22 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gee n GLY 23 N 0.57 0.74 3.42 2.92 0.00 -1.26 -5.05 105.19 106.52 3gee n GLY 23 Ca 0.03 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 3gee n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gee s VAL 24 N -2.29 3.71 0.33 1.61 1.01 -1.26 -4.05 120.40 119.47 3gee s VAL 24 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 3gee s VAL 24 Cb 0.00 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.75 3gee s VAL 24 CO 0.00 0.45 0.64 -0.83 0.00 0.00 0.00 175.10 175.36 3gee s GLY 25 N 0.92 0.58 0.15 4.51 0.00 -0.53 -5.05 107.32 107.90 3gee s GLY 25 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 44.72 43.69 3gee s GLY 25 CO 0.01 -0.49 1.73 0.00 0.00 0.00 0.00 173.10 174.35 3gee h ALA 26 N 2.08 0.57 -2.78 3.20 0.00 -1.96 -3.11 119.26 117.24 3gee h ALA 26 Ca -0.28 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 3gee h ALA 26 Cb 1.25 -0.18 -0.19 0.00 0.00 0.00 0.00 17.79 18.67 3gee h ALA 26 CO 0.36 0.12 -0.71 -0.51 0.00 0.00 0.00 179.25 178.50 3gee s LEU 27 N -9.92 2.35 0.11 0.00 1.43 -1.26 -1.03 118.68 110.36 3gee s LEU 27 Ca -0.13 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.28 3gee s LEU 27 Cb 0.11 -0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.24 3gee s LEU 27 CO 0.75 -0.34 -0.06 0.00 0.23 0.00 0.00 176.35 176.93 3gee s ALA 28 N -2.27 1.05 -0.19 4.21 0.00 0.10 -4.45 121.76 120.21 3gee s ALA 28 Ca -0.04 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.55 3gee s ALA 28 Cb -0.04 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.31 3gee s ALA 28 CO -0.02 -0.23 -0.13 0.42 0.00 0.00 0.00 175.76 175.80 3gee s ILE 29 N -3.61 1.74 -0.22 0.00 1.01 -1.26 0.00 121.20 118.87 3gee s ILE 29 Ca 0.13 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 3gee s ILE 29 Cb 0.05 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3gee s ILE 29 CO -0.04 0.27 0.44 -0.69 0.00 0.00 0.00 174.94 174.92 3gee s VAL 30 N 1.37 5.16 -0.16 2.92 1.01 0.35 -0.03 120.40 131.02 3gee s VAL 30 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.75 3gee s VAL 30 Cb -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.47 3gee s VAL 30 CO -0.09 0.20 -0.18 0.00 0.00 0.00 0.00 175.10 175.03 3gee s ARG 31 N 1.64 3.13 0.07 2.72 1.70 -0.21 -1.09 118.95 126.91 3gee s ARG 31 Ca 0.20 -0.79 0.07 0.00 -0.47 0.00 0.00 55.73 54.74 3gee s ARG 31 Cb -0.15 -2.57 -0.04 0.00 -0.57 0.00 0.00 34.95 31.62 3gee s ARG 31 CO 0.09 -0.03 -0.15 0.96 -1.08 0.00 0.00 175.30 175.09 3gee s ILE 32 N 0.90 3.05 0.03 4.99 -4.36 -0.76 -2.68 121.20 122.37 3gee s ILE 32 Ca -0.04 -1.24 -0.15 0.00 -0.26 0.00 0.00 60.65 58.95 3gee s ILE 32 Cb -0.15 -2.35 0.02 0.00 1.25 0.00 0.00 42.46 41.23 3gee s ILE 32 CO -0.02 0.23 0.34 -0.55 0.24 0.00 0.00 174.94 175.17 3gee s SER 33 N -1.81 -0.18 0.00 4.36 0.15 -0.30 -2.44 113.70 113.48 3gee s SER 33 Ca 0.17 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 3gee s SER 33 Cb -0.11 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 3gee s SER 33 CO 0.09 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.54 3gee n GLY 34 N 0.68 0.38 3.63 9.45 0.00 -0.52 -0.43 105.19 118.37 3gee n GLY 34 Ca -0.19 -2.31 -0.44 0.00 0.00 0.00 0.00 46.02 43.08 3gee n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gee n ALA 35 N -0.99 1.55 -1.58 4.61 0.00 -0.10 -2.53 120.51 121.47 3gee n ALA 35 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 3gee n ALA 35 Cb 0.00 -2.75 -0.01 0.00 0.00 0.00 0.00 19.45 16.69 3gee n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gee n GLY 36 N 5.12 0.50 0.26 0.00 0.00 -1.26 -4.50 105.19 105.30 3gee n GLY 36 Ca 0.25 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 3gee n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gee h VAL 37 N 0.00 1.17 0.00 1.61 2.07 -1.77 -2.19 116.25 117.15 3gee h VAL 37 Ca -0.11 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3gee h VAL 37 Cb 0.67 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3gee h VAL 37 CO 0.15 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.90 3gee n LEU 38 N -4.63 0.76 -0.04 2.57 -0.00 -1.26 -0.57 117.00 113.82 3gee n LEU 38 Ca 0.05 0.59 -0.14 0.00 -0.00 0.00 0.00 56.01 56.51 3gee n LEU 38 Cb 0.02 -0.36 -0.02 0.00 -0.00 0.00 0.00 43.42 43.06 3gee n LEU 38 CO 0.36 -0.23 0.42 0.44 -0.00 0.00 0.00 177.39 178.37 3gee h ASP 39 N 0.00 0.86 -0.16 1.45 3.32 -1.85 -2.62 116.42 117.43 3gee h ASP 39 Ca 0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 3gee h ASP 39 Cb 0.67 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3gee h ASP 39 CO 0.00 1.26 0.03 -0.07 -1.72 0.00 0.00 179.24 178.74 3gee h LEU 40 N 0.58 0.25 -0.96 1.55 4.07 -0.77 -2.86 115.31 117.16 3gee h LEU 40 Ca 0.00 -0.24 0.17 0.00 0.08 0.00 0.00 57.88 57.89 3gee h LEU 40 Cb 1.19 -0.06 -0.10 0.00 1.08 0.00 0.00 40.66 42.76 3gee h LEU 40 CO 0.12 0.42 0.57 0.00 -1.08 0.00 0.00 178.44 178.47 3gee h ALA 41 N 0.83 1.55 0.00 1.53 0.00 -0.88 -1.29 119.26 121.00 3gee h ALA 41 Ca 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3gee h ALA 41 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gee h ALA 41 CO 0.00 -0.03 -0.09 -0.44 0.00 0.00 0.00 179.25 178.69 3gee h ASP 42 N 0.75 0.00 0.39 0.00 3.32 -1.22 0.31 116.42 119.97 3gee h ASP 42 Ca 0.54 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.52 3gee h ASP 42 Cb 0.79 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3gee h ASP 42 CO -0.37 0.09 -0.32 0.03 -1.72 0.00 0.00 179.24 176.96 3gee h ARG 43 N 0.00 0.00 0.00 3.56 3.08 -1.21 -3.34 114.38 116.47 3gee h ARG 43 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3gee h ARG 43 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3gee h ARG 43 CO 0.01 0.32 -1.32 1.33 -1.07 0.00 0.00 179.97 179.24 3gee n VAL 44 N -4.01 0.26 -2.85 2.04 0.24 -0.70 -4.97 118.33 108.35 3gee n VAL 44 Ca -0.02 -0.19 -0.40 0.00 -2.04 0.00 0.00 64.34 61.69 3gee n VAL 44 Cb 0.38 -0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 32.12 3gee n VAL 44 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3gee s PHE 45 N -2.18 3.93 -0.17 6.34 5.36 0.10 -2.08 117.98 129.28 3gee s PHE 45 Ca -0.02 1.78 -0.03 0.00 -0.96 0.00 0.00 56.93 57.69 3gee s PHE 45 Cb 0.02 -2.90 0.06 0.00 -0.34 0.00 0.00 43.02 39.86 3gee s PHE 45 CO 0.21 0.45 0.04 1.03 -1.46 0.00 0.00 175.22 175.48 3gee s ARG 46 N -0.99 0.56 0.24 10.12 0.52 -0.41 -4.75 118.95 124.24 3gee s ARG 46 Ca 0.39 -0.30 -0.31 0.00 -0.52 0.00 0.00 55.73 55.00 3gee s ARG 46 Cb -0.24 -1.91 -0.11 0.00 0.52 0.00 0.00 34.95 33.20 3gee s ARG 46 CO 0.29 -0.60 1.61 0.21 0.02 0.00 0.00 175.30 176.84 3gee s LYS 47 N 1.92 4.15 0.00 3.54 2.20 -1.26 -1.40 119.74 128.89 3gee s LYS 47 Ca 0.00 2.52 -0.22 0.00 -0.36 0.00 0.00 55.97 57.92 3gee s LYS 47 Cb -0.16 -3.07 -0.19 0.00 -1.51 0.00 0.00 37.83 32.90 3gee s LYS 47 CO -0.08 -0.64 1.21 -0.24 -0.36 0.00 0.00 175.35 175.24 3gee h VAL 48 N 3.64 1.42 -3.43 4.02 3.04 -1.84 -3.42 116.25 119.68 3gee h VAL 48 Ca -0.45 -1.59 -0.65 0.00 -1.01 0.00 0.00 66.70 63.00 3gee h VAL 48 Cb 1.21 2.25 -0.26 0.00 -2.01 0.00 0.00 31.29 32.48 3gee h VAL 48 CO 0.86 0.45 -0.70 -1.00 -1.01 0.00 0.00 177.57 176.18 3gee s HIS 49 N -3.81 2.99 0.21 3.17 3.76 -1.26 -5.00 115.29 115.35 3gee s HIS 49 Ca -0.15 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 3gee s HIS 49 Cb 0.03 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.62 3gee s HIS 49 CO 0.75 -0.43 0.00 0.41 -0.85 0.00 0.00 174.74 174.63 3gee n GLY 50 N 4.60 -1.94 0.85 -2.22 0.00 -1.26 -4.75 105.19 100.47 3gee n GLY 50 Ca -0.18 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.56 3gee n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gee n SER 51 N -3.06 1.84 -4.54 1.61 3.41 -1.26 -4.53 113.62 107.09 3gee n SER 51 Ca -0.01 -3.63 -0.39 0.00 -0.26 0.00 0.00 58.87 54.58 3gee n SER 51 Cb 0.35 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 3gee n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gee n GLY 52 N -0.87 0.27 3.76 5.00 0.00 -1.26 -4.90 105.19 107.18 3gee n GLY 52 Ca 0.19 0.77 -0.37 0.00 0.00 0.00 0.00 46.02 46.61 3gee n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gee s LYS 53 N 7.84 3.23 0.18 1.61 1.02 -1.26 -4.85 119.74 127.50 3gee s LYS 53 Ca 1.05 1.99 -0.12 0.00 0.02 0.00 0.00 55.97 58.91 3gee s LYS 53 Cb -0.42 -2.18 0.08 0.00 -0.52 0.00 0.00 37.83 34.79 3gee s LYS 53 CO 0.33 -1.05 1.78 -0.07 -0.92 0.00 0.00 175.35 175.43 3gee h LEU 54 N 1.41 0.76 -0.75 3.17 4.07 -1.90 -2.13 115.31 119.94 3gee h LEU 54 Ca -0.50 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.35 3gee h LEU 54 Cb 1.29 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.83 3gee h LEU 54 CO 0.57 0.65 0.00 0.00 -1.08 0.00 0.00 178.44 178.58 3gee n ALA 55 N -2.32 1.18 0.32 1.53 0.00 -1.25 -1.16 120.51 118.82 3gee n ALA 55 Ca 0.04 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.69 3gee n ALA 55 Cb 0.10 -1.22 0.19 0.00 0.00 0.00 0.00 19.45 18.52 3gee n ALA 55 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gee n GLU 56 N -1.95 2.38 -3.73 0.00 1.02 -0.81 -5.01 120.64 112.54 3gee n GLU 56 Ca 0.00 -2.18 -0.30 0.00 -0.02 0.00 0.00 57.16 54.66 3gee n GLU 56 Cb 0.07 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 3gee n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gee s ALA 57 N -1.44 3.85 0.64 0.62 0.00 -0.30 -4.97 121.76 120.15 3gee s ALA 57 Ca 0.35 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 3gee s ALA 57 Cb 0.21 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 3gee s ALA 57 CO 0.29 0.64 1.07 0.00 0.00 0.00 0.00 175.76 177.76 3gee s ALA 58 N -1.69 2.64 0.65 0.00 0.00 -1.26 -5.02 121.76 117.08 3gee s ALA 58 Ca 0.39 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.55 3gee s ALA 58 Cb -0.12 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3gee s ALA 58 CO 0.27 -1.04 1.24 0.20 0.00 0.00 0.00 175.76 176.42 3gee s GLY 59 N -2.93 2.68 -1.23 0.00 0.00 -1.26 -3.52 107.32 101.05 3gee s GLY 59 Ca 0.63 1.05 -0.02 0.00 0.00 0.00 0.00 44.72 46.38 3gee s GLY 59 CO 0.42 1.45 0.20 -1.72 0.00 0.00 0.00 173.10 173.46 3gee n TYR 60 N -2.01 -1.05 -5.03 1.90 4.02 0.02 -4.96 117.16 110.06 3gee n TYR 60 Ca 0.14 0.18 -0.29 0.00 -0.01 0.00 0.00 57.90 57.92 3gee n TYR 60 Cb 0.49 -3.36 -0.16 0.00 -0.02 0.00 0.00 39.34 36.29 3gee n TYR 60 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3gee s THR 61 N -2.87 1.72 0.03 -0.72 -1.32 -1.20 -4.97 115.64 106.31 3gee s THR 61 Ca 0.10 -0.87 0.02 0.00 -1.21 0.00 0.00 61.69 59.73 3gee s THR 61 Cb -0.04 -1.48 -0.04 0.00 -1.51 0.00 0.00 72.50 69.43 3gee s THR 61 CO 0.13 0.49 0.04 0.00 -2.21 0.00 0.00 174.62 173.06 3gee s ALA 62 N 0.06 3.44 -0.05 11.08 0.00 -1.26 -1.35 121.76 133.69 3gee s ALA 62 Ca -0.07 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 3gee s ALA 62 Cb -0.14 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.60 3gee s ALA 62 CO 0.04 0.69 0.03 -1.01 0.00 0.00 0.00 175.76 175.51 3gee s HIS 63 N -1.22 0.28 -0.37 0.00 3.76 0.21 -4.94 115.29 113.01 3gee s HIS 63 Ca 0.24 0.08 -0.20 0.00 -0.15 0.00 0.00 55.06 55.03 3gee s HIS 63 Cb -0.12 -0.54 0.01 0.00 1.11 0.00 0.00 32.58 33.04 3gee s HIS 63 CO 0.15 -0.21 0.62 0.12 -0.85 0.00 0.00 174.74 174.58 3gee s PHE 64 N 1.83 3.14 0.00 1.40 5.36 -1.26 0.46 117.98 128.90 3gee s PHE 64 Ca 0.01 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.25 3gee s PHE 64 Cb -0.12 -3.15 0.00 0.00 -0.34 0.00 0.00 43.02 39.41 3gee s PHE 64 CO -0.03 -0.65 0.00 0.41 -1.46 0.00 0.00 175.22 173.48 3gee n GLY 65 N 4.74 3.89 3.28 13.12 0.00 -1.02 -2.54 105.19 126.66 3gee n GLY 65 Ca -0.02 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 3gee n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gee s ARG 66 N 0.90 1.42 0.09 1.61 0.52 -0.50 -1.30 118.95 121.70 3gee s ARG 66 Ca 0.00 -1.03 -0.07 0.00 -0.52 0.00 0.00 55.73 54.12 3gee s ARG 66 Cb 0.00 -1.59 -0.05 0.00 0.52 0.00 0.00 34.95 33.82 3gee s ARG 66 CO 0.00 0.40 0.35 -0.51 0.02 0.00 0.00 175.30 175.56 3gee s LEU 67 N -1.35 4.32 -0.02 2.53 1.43 -0.34 -1.29 118.68 123.95 3gee s LEU 67 Ca 0.08 0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 53.80 3gee s LEU 67 Cb -0.09 -3.05 0.01 0.00 0.03 0.00 0.00 46.19 43.08 3gee s LEU 67 CO 0.02 0.14 0.05 -0.31 0.23 0.00 0.00 176.35 176.48 3gee s TYR 68 N -1.49 -0.05 -0.90 0.29 1.51 -0.88 -0.38 117.35 115.44 3gee s TYR 68 Ca 0.35 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.55 3gee s TYR 68 Cb -0.13 0.00 0.32 0.00 -0.11 0.00 0.00 41.96 42.04 3gee s TYR 68 CO 0.21 -0.03 1.50 -3.47 -1.11 0.00 0.00 175.55 172.65 3gee n ASP 69 N 3.13 6.32 -2.77 2.29 -0.08 0.22 -4.75 116.55 120.91 3gee n ASP 69 Ca -0.13 -3.63 -0.00 0.00 -1.51 0.00 0.00 54.79 49.51 3gee n ASP 69 Cb 0.59 -1.01 -0.00 0.00 2.34 0.00 0.00 41.12 43.04 3gee n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gee n GLY 70 N 0.15 -3.91 3.41 0.27 0.00 -1.26 -3.70 105.19 100.15 3gee n GLY 70 Ca 0.39 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.92 3gee n GLY 70 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gee n GLU 71 N 0.86 -0.60 -3.75 1.61 4.71 -1.26 -4.93 120.64 117.28 3gee n GLU 71 Ca -0.03 0.15 -0.37 0.00 -0.01 0.00 0.00 57.16 56.90 3gee n GLU 71 Cb 0.10 -4.27 -0.11 0.00 -1.01 0.00 0.00 31.44 26.15 3gee n GLU 71 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 3gee s GLU 72 N -1.09 2.29 -0.33 3.49 2.12 -1.24 -5.06 118.70 118.88 3gee s GLU 72 Ca 0.00 -1.59 -0.28 0.00 0.36 0.00 0.00 54.97 53.46 3gee s GLU 72 Cb 0.00 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 3gee s GLU 72 CO 0.00 -0.94 1.81 1.41 -0.54 0.00 0.00 175.26 177.00 3gee s MET 73 N 1.26 3.32 -0.10 4.30 -2.45 -1.26 -0.61 119.30 123.76 3gee s MET 73 Ca 0.04 1.44 -0.27 0.00 -1.25 0.00 0.00 55.69 55.65 3gee s MET 73 Cb -0.22 -4.20 -0.23 0.00 1.25 0.00 0.00 34.83 31.42 3gee s MET 73 CO -0.02 -1.87 0.93 0.28 1.05 0.00 0.00 175.02 175.39 3gee h VAL 74 N 6.82 1.59 -2.23 10.11 2.07 -1.07 -3.48 116.25 130.05 3gee h VAL 74 Ca -0.34 -1.86 0.18 0.00 0.82 0.00 0.00 66.70 65.50 3gee h VAL 74 Cb 1.17 2.84 -0.10 0.00 -1.52 0.00 0.00 31.29 33.68 3gee h VAL 74 CO 1.03 0.48 0.52 -0.62 0.02 0.00 0.00 177.57 179.00 3gee s ASP 75 N -6.00 -0.20 -0.32 0.57 2.15 -1.24 -4.99 116.67 106.64 3gee s ASP 75 Ca -0.17 -0.30 -0.15 0.00 0.43 0.00 0.00 52.55 52.36 3gee s ASP 75 Cb -0.01 0.43 -0.02 0.00 -0.30 0.00 0.00 42.92 43.02 3gee s ASP 75 CO 0.66 -0.78 0.36 -0.70 -0.17 0.00 0.00 175.17 174.53 3gee s GLU 76 N -3.16 3.71 0.43 4.34 2.12 -1.26 -1.20 118.70 123.68 3gee s GLU 76 Ca 0.11 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.18 3gee s GLU 76 Cb -0.01 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 3gee s GLU 76 CO -0.01 -0.44 0.08 1.33 -0.54 0.00 0.00 175.26 175.69 3gee n VAL 77 N 5.20 0.00 -3.94 3.70 0.24 -0.42 -4.48 118.33 118.64 3gee n VAL 77 Ca -0.09 -2.28 -0.28 0.00 -2.04 0.00 0.00 64.34 59.64 3gee n VAL 77 Cb 0.50 0.66 -0.17 0.00 -1.47 0.00 0.00 33.84 33.36 3gee n VAL 77 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3gee s ILE 78 N -2.90 1.19 -0.07 1.34 1.01 -1.08 -2.43 121.20 118.27 3gee s ILE 78 Ca 0.11 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 3gee s ILE 78 Cb 0.01 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 3gee s ILE 78 CO 0.08 0.39 0.43 0.00 0.00 0.00 0.00 174.94 175.84 3gee s ALA 79 N 1.64 3.58 -0.29 9.38 0.00 0.17 -2.18 121.76 134.07 3gee s ALA 79 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 3gee s ALA 79 Cb -0.13 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.52 3gee s ALA 79 CO -0.09 0.22 -0.01 -1.17 0.00 0.00 0.00 175.76 174.70 3gee s LEU 80 N -0.13 3.71 0.07 0.00 2.96 -0.87 0.65 118.68 125.07 3gee s LEU 80 Ca 0.24 -1.14 -0.27 0.00 -0.22 0.00 0.00 54.13 52.74 3gee s LEU 80 Cb -0.16 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 3gee s LEU 80 CO 0.11 -0.22 0.85 -0.69 -1.32 0.00 0.00 176.35 175.08 3gee s VAL 81 N 1.28 4.64 0.02 1.68 1.01 -0.46 -1.65 120.40 126.93 3gee s VAL 81 Ca -0.04 1.83 0.06 0.00 0.00 0.00 0.00 61.98 63.83 3gee s VAL 81 Cb -0.19 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 3gee s VAL 81 CO -0.02 0.34 -0.17 -0.36 0.00 0.00 0.00 175.10 174.90 3gee s PHE 82 N -0.00 1.45 0.30 5.22 0.40 0.52 -0.80 117.98 125.07 3gee s PHE 82 Ca 0.42 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.47 3gee s PHE 82 Cb -0.22 -0.89 -0.06 0.00 0.51 0.00 0.00 43.02 42.36 3gee s PHE 82 CO 0.26 0.03 0.03 1.03 0.70 0.00 0.00 175.22 177.27 3gee s ARG 83 N -0.90 1.59 6.41 0.44 0.52 -1.26 -2.43 118.95 123.33 3gee s ARG 83 Ca 0.05 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.40 3gee s ARG 83 Cb -0.08 -0.89 0.00 0.00 0.52 0.00 0.00 34.95 34.50 3gee s ARG 83 CO 0.01 -0.13 0.00 0.00 0.02 0.00 0.00 175.30 175.19 3gee n ALA 84 N -0.63 0.00 1.20 2.13 0.00 -1.26 -0.71 120.51 121.24 3gee n ALA 84 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.53 3gee n ALA 84 Cb 0.66 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.39 3gee n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gee n PRO 85 N 14.00 1.18 -2.04 0.00 -0.04 -1.26 -3.59 135.00 143.24 3gee n PRO 85 Ca 0.00 -0.81 -0.39 0.00 -0.04 0.00 0.00 63.50 62.27 3gee n PRO 85 Cb 0.00 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 31.97 3gee n PRO 85 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3gee n ARG 86 N -0.21 4.43 -4.14 0.54 0.63 0.11 -4.26 116.66 113.77 3gee n ARG 86 Ca 0.13 -3.54 -0.14 0.00 -0.92 0.00 0.00 57.85 53.37 3gee n ARG 86 Cb 0.40 -2.53 -0.07 0.00 0.45 0.00 0.00 32.46 30.71 3gee n ARG 86 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3gee s SER 87 N 0.02 0.73 0.08 6.15 1.04 -1.26 -4.12 113.70 116.34 3gee s SER 87 Ca 0.52 -1.43 -0.24 0.00 0.48 0.00 0.00 55.95 55.28 3gee s SER 87 Cb 0.22 0.56 -0.16 0.00 0.10 0.00 0.00 66.02 66.74 3gee s SER 87 CO -0.13 -1.11 1.69 0.15 0.98 0.00 0.00 173.24 174.82 3gee h PHE 88 N 2.26 -0.06 0.00 5.02 3.57 -1.88 -2.68 116.94 123.16 3gee h PHE 88 Ca -0.29 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3gee h PHE 88 Cb 1.24 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.00 3gee h PHE 88 CO 1.08 0.00 0.00 0.25 -2.23 0.00 0.00 178.31 177.41 3gee n THR 89 N -5.10 0.13 -1.37 4.41 -2.24 -1.26 -4.53 114.28 104.33 3gee n THR 89 Ca -0.08 0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3gee n THR 89 Cb 0.07 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 3gee n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gee n ALA 90 N -1.40 -0.19 -4.11 6.98 0.00 -1.01 -4.00 120.51 116.77 3gee n ALA 90 Ca 0.10 0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 3gee n ALA 90 Cb 0.27 -1.52 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 3gee n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gee n GLU 91 N -2.27 0.93 -2.12 0.00 1.02 -1.24 -4.17 120.64 112.80 3gee n GLU 91 Ca -0.13 -1.84 -0.42 0.00 -0.02 0.00 0.00 57.16 54.75 3gee n GLU 91 Cb 0.46 0.84 -0.03 0.00 -0.02 0.00 0.00 31.44 32.70 3gee n GLU 91 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3gee s GLN 92 N -2.85 4.20 -0.01 3.49 0.74 -1.26 -4.61 119.66 119.36 3gee s GLN 92 Ca 0.08 2.05 -0.05 0.00 0.05 0.00 0.00 55.36 57.48 3gee s GLN 92 Cb 0.00 -3.91 -0.00 0.00 1.10 0.00 0.00 33.01 30.21 3gee s GLN 92 CO 0.05 -0.80 0.10 0.00 -0.55 0.00 0.00 175.29 174.09 3gee s MET 93 N 3.81 0.36 0.09 1.67 0.23 -1.02 -1.44 119.30 123.00 3gee s MET 93 Ca 0.68 -0.30 0.10 0.00 -1.03 0.00 0.00 55.69 55.14 3gee s MET 93 Cb -0.30 0.15 -0.03 0.00 -1.53 0.00 0.00 34.83 33.11 3gee s MET 93 CO 0.26 -0.08 -0.26 0.54 -2.03 0.00 0.00 175.02 173.44 3gee s VAL 94 N -1.04 2.22 -0.26 5.16 0.11 -1.02 -0.36 120.40 125.20 3gee s VAL 94 Ca -0.11 -1.57 0.01 0.00 -2.93 0.00 0.00 61.98 57.37 3gee s VAL 94 Cb -0.06 -1.93 0.07 0.00 -1.53 0.00 0.00 36.38 32.93 3gee s VAL 94 CO 0.01 0.23 -0.00 -1.61 -3.33 0.00 0.00 175.10 170.39 3gee s GLU 95 N -1.66 1.37 -0.15 1.54 2.02 -0.66 -1.83 118.70 119.33 3gee s GLU 95 Ca 0.13 -1.13 -0.28 0.00 0.02 0.00 0.00 54.97 53.71 3gee s GLU 95 Cb -0.10 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.57 3gee s GLU 95 CO 0.04 -0.73 0.95 -0.06 0.02 0.00 0.00 175.26 175.48 3gee s PHE 96 N 1.38 3.45 -0.25 1.61 0.08 -0.25 -2.05 117.98 121.94 3gee s PHE 96 Ca 0.00 1.45 -0.06 0.00 0.12 0.00 0.00 56.93 58.44 3gee s PHE 96 Cb -0.18 -3.14 -0.01 0.00 -0.57 0.00 0.00 43.02 39.11 3gee s PHE 96 CO -0.10 -0.28 0.03 0.95 -0.10 0.00 0.00 175.22 175.72 3gee s THR 97 N 2.29 3.89 0.49 0.64 -4.23 -0.93 -0.49 115.64 117.30 3gee s THR 97 Ca 0.44 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 3gee s THR 97 Cb -0.17 -2.86 0.01 0.00 1.34 0.00 0.00 72.50 70.82 3gee s THR 97 CO 0.14 0.29 0.10 0.00 -0.54 0.00 0.00 174.62 174.61 3gee s HIS 99 N -2.69 2.84 -0.15 0.00 3.76 -1.26 -0.73 115.29 117.06 3gee s HIS 99 Ca 0.08 0.89 -0.00 0.00 -0.15 0.00 0.00 55.06 55.87 3gee s HIS 99 Cb -0.01 -3.98 0.10 0.00 1.11 0.00 0.00 32.58 29.81 3gee s HIS 99 CO 0.05 -3.23 1.99 0.41 -0.85 0.00 0.00 174.74 173.11 3gee n GLY 100 N 2.09 3.24 3.78 -2.22 0.00 -0.20 -4.30 105.19 107.59 3gee n GLY 100 Ca 0.07 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 3gee n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gee s GLY 101 N 1.12 2.40 0.27 -0.02 0.00 -1.26 -1.45 107.32 108.38 3gee s GLY 101 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.60 3gee s GLY 101 CO -0.00 0.36 1.77 -2.55 0.00 0.00 0.00 173.10 172.68 3gee h PRO 102 N 5.65 0.65 -0.24 2.90 0.11 -1.90 0.17 132.00 139.34 3gee h PRO 102 Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3gee h PRO 102 Cb 1.20 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3gee h PRO 102 CO 0.68 0.43 -0.00 0.28 -0.21 0.00 0.00 178.00 179.18 3gee h VAL 103 N 0.67 1.26 1.01 3.15 2.07 -1.95 -2.29 116.25 120.16 3gee h VAL 103 Ca 0.48 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3gee h VAL 103 Cb 0.68 1.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3gee h VAL 103 CO -0.36 0.28 -0.48 0.58 0.02 0.00 0.00 177.57 177.61 3gee h VAL 104 N 0.20 0.01 -0.88 2.57 2.07 -1.65 -1.80 116.25 116.76 3gee h VAL 104 Ca 0.07 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.71 3gee h VAL 104 Cb 0.42 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.11 3gee h VAL 104 CO 0.01 0.00 0.50 1.62 0.02 0.00 0.00 177.57 179.72 3gee h VAL 105 N -1.36 0.83 -0.62 2.57 3.04 -0.76 0.93 116.25 120.88 3gee h VAL 105 Ca -0.14 -0.26 -0.04 0.00 -1.01 0.00 0.00 66.70 65.25 3gee h VAL 105 Cb 1.04 -0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 30.28 3gee h VAL 105 CO 0.23 0.14 0.23 1.23 -1.01 0.00 0.00 177.57 178.38 3gee h GLY 106 N 0.77 0.98 0.99 3.17 0.00 -1.37 -1.04 103.07 106.56 3gee h GLY 106 Ca 0.45 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3gee h GLY 106 CO -0.30 0.49 0.30 3.21 0.00 0.00 0.00 176.54 180.23 3gee h ARG 107 N 0.89 0.83 0.04 4.80 2.47 0.03 -1.78 114.38 121.67 3gee h ARG 107 Ca 0.21 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3gee h ARG 107 Cb 0.20 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3gee h ARG 107 CO -0.02 0.66 -0.02 0.28 0.56 0.00 0.00 179.97 181.43 3gee h VAL 108 N 0.79 0.99 -0.81 2.04 2.07 -0.57 -1.01 116.25 119.76 3gee h VAL 108 Ca 0.20 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.69 3gee h VAL 108 Cb 0.09 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 3gee h VAL 108 CO -0.03 0.03 0.48 0.25 0.02 0.00 0.00 177.57 178.32 3gee h LEU 109 N -0.10 0.72 -0.79 2.57 5.85 -1.12 -1.49 115.31 120.95 3gee h LEU 109 Ca -0.01 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3gee h LEU 109 Cb 0.08 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3gee h LEU 109 CO 0.01 0.44 0.32 -0.09 -0.34 0.00 0.00 178.44 178.79 3gee h ARG 110 N 0.85 1.18 -0.17 1.25 2.43 -1.03 -1.12 114.38 117.77 3gee h ARG 110 Ca 0.37 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3gee h ARG 110 Cb 0.25 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3gee h ARG 110 CO -0.20 0.95 0.09 1.25 -1.51 0.00 0.00 179.97 180.55 3gee h LEU 111 N 1.15 0.15 -0.46 3.80 5.85 -0.18 0.29 115.31 125.90 3gee h LEU 111 Ca 0.27 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.06 3gee h LEU 111 Cb 0.21 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3gee h LEU 111 CO -0.02 0.11 0.12 0.24 -0.34 0.00 0.00 178.44 178.54 3gee h MET 112 N 0.20 0.25 -0.25 1.25 2.86 -1.22 -1.97 114.93 116.06 3gee h MET 112 Ca 0.07 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 3gee h MET 112 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3gee h MET 112 CO -0.04 0.17 -0.19 -0.07 1.06 0.00 0.00 176.91 177.84 3gee h LEU 113 N 0.26 0.44 -0.40 1.22 3.38 -0.26 -2.25 115.31 117.69 3gee h LEU 113 Ca 0.23 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3gee h LEU 113 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3gee h LEU 113 CO -0.27 0.64 -0.19 0.44 0.09 0.00 0.00 178.44 179.14 3gee h ASP 114 N 0.40 0.00 -1.28 -0.43 3.32 -0.28 -3.35 116.42 114.80 3gee h ASP 114 Ca 0.07 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.49 3gee h ASP 114 Cb 0.56 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.74 3gee h ASP 114 CO 0.04 0.19 -0.15 0.59 -1.72 0.00 0.00 179.24 178.19 3gee n ASN 115 N -3.19 5.82 0.00 6.45 3.02 -0.76 -4.92 115.26 121.68 3gee n ASN 115 Ca 0.02 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 3gee n ASN 115 Cb 0.54 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3gee n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gee n GLY 116 N -0.64 3.09 3.78 7.41 0.00 -1.20 -4.89 105.19 112.74 3gee n GLY 116 Ca 0.47 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 3gee n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gee s ARG 118 N -3.66 2.79 0.21 0.00 1.70 -0.53 -4.39 118.95 115.07 3gee s ARG 118 Ca 0.69 -1.16 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 3gee s ARG 118 Cb -0.20 -2.48 -0.08 0.00 -0.57 0.00 0.00 34.95 31.61 3gee s ARG 118 CO 0.32 0.34 1.17 -1.17 -1.08 0.00 0.00 175.30 174.87 3gee s LEU 119 N -3.85 4.48 0.28 -1.89 1.98 -1.26 -0.46 118.68 117.96 3gee s LEU 119 Ca 0.34 2.24 -0.29 0.00 -2.89 0.00 0.00 54.13 53.53 3gee s LEU 119 Cb -0.07 -3.61 -0.10 0.00 0.66 0.00 0.00 46.19 43.07 3gee s LEU 119 CO 0.24 -0.30 1.24 0.00 -1.89 0.00 0.00 176.35 175.64 3gee s ALA 120 N -0.39 3.47 0.93 5.97 0.00 -0.52 -4.80 121.76 126.42 3gee s ALA 120 Ca 0.50 1.11 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 3gee s ALA 120 Cb -0.32 -3.43 0.15 0.00 0.00 0.00 0.00 23.12 19.51 3gee s ALA 120 CO 0.38 -0.46 1.09 -1.21 0.00 0.00 0.00 175.76 175.56 3gee s GLU 121 N -1.27 1.02 0.23 0.00 2.02 -1.26 -4.78 118.70 114.65 3gee s GLU 121 Ca 0.49 0.77 -0.30 0.00 0.02 0.00 0.00 54.97 55.95 3gee s GLU 121 Cb -0.36 -1.79 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 3gee s GLU 121 CO 0.46 -2.39 1.18 -2.14 0.02 0.00 0.00 175.26 172.38 3gee s PRO 122 N -4.92 4.53 0.00 0.39 0.02 -1.26 -2.81 135.00 130.94 3gee s PRO 122 Ca 0.64 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3gee s PRO 122 Cb -0.18 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3gee s PRO 122 CO 0.57 -0.00 0.00 0.41 -0.33 0.00 0.00 177.00 177.65 3gee n GLY 123 N 1.76 0.23 0.32 0.52 0.00 -1.21 -4.44 105.19 102.38 3gee n GLY 123 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 3gee n GLY 123 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gee h GLU 124 N 0.53 0.79 0.04 1.61 4.81 -1.69 0.28 114.58 120.94 3gee h GLU 124 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3gee h GLU 124 Cb 0.50 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3gee h GLU 124 CO 0.00 0.57 -0.02 0.74 -0.73 0.00 0.00 179.01 179.58 3gee h PHE 125 N 0.80 -0.05 -0.21 0.92 0.04 -1.84 0.80 116.94 117.41 3gee h PHE 125 Ca 0.21 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.85 3gee h PHE 125 Cb 0.01 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3gee h PHE 125 CO 0.00 -0.02 -0.40 1.15 -0.60 0.00 0.00 178.31 178.44 3gee h THR 126 N -0.05 1.30 -0.73 -1.55 2.02 -0.67 -1.60 112.91 111.63 3gee h THR 126 Ca -0.00 -1.55 0.07 0.00 0.77 0.00 0.00 66.41 65.69 3gee h THR 126 Cb 0.04 1.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 3gee h THR 126 CO 0.01 0.48 0.41 -0.09 0.37 0.00 0.00 175.52 176.70 3gee h ARG 127 N 0.40 0.71 -0.38 6.66 2.43 -0.62 -0.36 114.38 123.20 3gee h ARG 127 Ca 0.04 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 3gee h ARG 127 Cb 0.88 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3gee h ARG 127 CO 0.07 0.47 -0.28 0.00 -1.51 0.00 0.00 179.97 178.72 3gee h ARG 128 N 0.73 0.81 -0.81 0.20 3.08 -0.43 0.50 114.38 118.45 3gee h ARG 128 Ca 0.34 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3gee h ARG 128 Cb 0.25 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3gee h ARG 128 CO -0.21 0.99 0.52 0.00 -1.07 0.00 0.00 179.97 180.20 3gee h ALA 129 N 0.99 1.39 -0.05 0.04 0.00 -0.52 0.14 119.26 121.25 3gee h ALA 129 Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3gee h ALA 129 Cb 0.81 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gee h ALA 129 CO 0.07 0.55 -0.31 0.35 0.00 0.00 0.00 179.25 179.91 3gee h PHE 130 N 1.11 0.41 -0.64 0.00 3.57 -0.84 -1.59 116.94 118.96 3gee h PHE 130 Ca 0.30 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3gee h PHE 130 Cb -0.10 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3gee h PHE 130 CO 0.00 0.93 0.27 -0.07 -2.23 0.00 0.00 178.31 177.22 3gee h LEU 131 N -0.23 0.84 0.00 0.59 4.07 -0.57 0.14 115.31 120.15 3gee h LEU 131 Ca -0.03 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3gee h LEU 131 Cb 0.98 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.51 3gee h LEU 131 CO 0.06 0.74 0.00 0.59 -1.08 0.00 0.00 178.44 178.76 3gee n ASN 132 N -4.32 0.00 0.00 -0.43 3.02 0.48 -4.91 115.26 109.09 3gee n ASN 132 Ca 0.06 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 3gee n ASN 132 Cb 0.16 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3gee n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gee n GLY 133 N 0.78 0.59 0.23 7.41 0.00 0.04 -4.88 105.19 109.36 3gee n GLY 133 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 3gee n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gee h ARG 134 N 1.44 0.00 -3.39 1.61 2.43 -1.51 -3.45 114.38 111.52 3gee h ARG 134 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 3gee h ARG 134 Cb 0.06 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.42 3gee h ARG 134 CO 0.00 0.18 -0.40 -1.50 -1.51 0.00 0.00 179.97 176.74 3gee s ILE 135 N -4.45 0.08 0.52 1.20 1.10 -1.09 -5.03 121.20 113.54 3gee s ILE 135 Ca -0.03 -0.68 0.07 0.00 -0.51 0.00 0.00 60.65 59.50 3gee s ILE 135 Cb 0.15 -0.61 0.05 0.00 0.15 0.00 0.00 42.46 42.20 3gee s ILE 135 CO 0.66 -0.38 0.72 1.51 -2.11 0.00 0.00 174.94 175.34 3gee s ASP 136 N -1.56 5.28 0.24 4.50 1.47 -1.26 -4.08 116.67 121.26 3gee s ASP 136 Ca -0.12 -0.56 -0.05 0.00 1.18 0.00 0.00 52.55 53.00 3gee s ASP 136 Cb -0.05 -0.22 0.35 0.00 -0.34 0.00 0.00 42.92 42.66 3gee s ASP 136 CO 0.01 -1.13 1.84 -0.07 0.68 0.00 0.00 175.17 176.49 3gee h LEU 137 N 0.29 0.79 0.13 2.11 3.38 -1.71 0.53 115.31 120.84 3gee h LEU 137 Ca -0.36 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3gee h LEU 137 Cb 1.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3gee h LEU 137 CO 0.43 0.49 -0.16 -0.07 0.09 0.00 0.00 178.44 179.23 3gee h LEU 138 N 0.92 -0.42 -0.80 1.67 3.38 -1.80 0.00 115.31 118.26 3gee h LEU 138 Ca 0.38 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 3gee h LEU 138 Cb 0.23 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3gee h LEU 138 CO -0.19 -0.23 0.37 1.56 0.09 0.00 0.00 178.44 180.03 3gee h GLN 139 N -0.33 1.16 0.18 1.13 4.20 -1.50 0.18 115.11 120.13 3gee h GLN 139 Ca 0.01 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.55 3gee h GLN 139 Cb 0.32 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3gee h GLN 139 CO -0.06 0.91 -0.30 0.00 -0.67 0.00 0.00 178.83 178.71 3gee h ALA 140 N 1.19 -0.56 -0.52 3.87 0.00 0.21 -2.02 119.26 121.43 3gee h ALA 140 Ca 0.27 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3gee h ALA 140 Cb 0.14 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3gee h ALA 140 CO -0.03 -0.86 0.35 0.93 0.00 0.00 0.00 179.25 179.64 3gee h GLU 141 N -0.56 0.63 -0.47 0.00 5.08 -0.55 -2.27 114.58 116.44 3gee h GLU 141 Ca 0.02 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3gee h GLU 141 Cb 0.56 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3gee h GLU 141 CO -0.14 0.42 0.10 0.00 -1.00 0.00 0.00 179.01 178.40 3gee h ALA 142 N 1.69 1.29 -0.11 3.43 0.00 -0.16 -0.25 119.26 125.15 3gee h ALA 142 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gee h ALA 142 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gee h ALA 142 CO -0.05 0.50 0.07 0.82 0.00 0.00 0.00 179.25 180.58 3gee h ILE 143 N 0.70 1.06 0.27 0.00 2.04 -0.76 -1.49 117.51 119.33 3gee h ILE 143 Ca 0.16 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3gee h ILE 143 Cb 0.28 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3gee h ILE 143 CO -0.00 0.06 -0.24 1.23 0.00 0.00 0.00 178.15 179.20 3gee h GLY 144 N 0.12 -0.55 0.27 5.37 0.00 -1.45 -2.63 103.07 104.19 3gee h GLY 144 Ca 0.04 0.27 0.24 0.00 0.00 0.00 0.00 47.33 47.88 3gee h GLY 144 CO -0.01 -0.22 0.61 0.83 0.00 0.00 0.00 176.54 177.75 3gee h GLU 145 N -0.53 0.12 0.03 4.80 5.08 -0.85 -1.69 114.58 121.54 3gee h GLU 145 Ca -0.01 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 3gee h GLU 145 Cb 0.48 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.72 3gee h GLU 145 CO -0.03 0.08 -0.72 1.98 -1.00 0.00 0.00 179.01 179.31 3gee h MET 146 N 0.12 0.43 -0.69 2.33 4.05 -0.92 -2.17 114.93 118.08 3gee h MET 146 Ca 0.43 -0.51 -0.07 0.00 -0.28 0.00 0.00 59.70 59.28 3gee h MET 146 Cb 1.51 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 32.44 3gee h MET 146 CO -0.06 1.17 0.18 0.82 0.23 0.00 0.00 176.91 179.24 3gee h ILE 147 N -0.08 1.26 0.00 1.77 2.04 -1.03 -3.01 117.51 118.46 3gee h ILE 147 Ca -0.10 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3gee h ILE 147 Cb 1.45 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3gee h ILE 147 CO 0.14 0.37 -0.41 0.45 0.00 0.00 0.00 178.15 178.70 3gee h HIS 148 N 1.04 0.00 -2.07 1.37 3.86 -1.49 -3.47 115.15 114.38 3gee h HIS 148 Ca 0.22 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.79 3gee h HIS 148 Cb 0.36 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.92 3gee h HIS 148 CO 0.03 0.00 0.16 0.00 0.86 0.00 0.00 177.93 178.98 3gee n ALA 149 N -1.97 -0.73 -0.19 2.45 0.00 -0.82 -4.91 120.51 114.34 3gee n ALA 149 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3gee n ALA 149 Cb 0.49 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3gee n ALA 149 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3gee n ARG 150 N 1.31 -0.05 -4.40 0.00 1.85 -1.26 -4.94 116.66 109.17 3gee n ARG 150 Ca 0.13 -0.35 -0.27 0.00 -1.00 0.00 0.00 57.85 56.36 3gee n ARG 150 Cb 0.27 -0.83 -0.11 0.00 -1.05 0.00 0.00 32.46 30.74 3gee n ARG 150 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3gee s THR 151 N -0.09 2.49 0.10 8.89 2.01 -1.26 -5.05 115.64 122.74 3gee s THR 151 Ca 0.00 -1.93 -0.23 0.00 0.31 0.00 0.00 61.69 59.84 3gee s THR 151 Cb 0.00 -2.19 -0.11 0.00 0.01 0.00 0.00 72.50 70.21 3gee s THR 151 CO 0.00 -0.09 1.71 -0.33 -0.69 0.00 0.00 174.62 175.23 3gee h GLU 152 N 3.24 -0.08 0.00 4.92 5.08 -1.96 -0.81 114.58 124.96 3gee h GLU 152 Ca -0.47 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 3gee h GLU 152 Cb 1.20 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3gee h GLU 152 CO 0.48 -0.05 -0.14 0.66 -1.00 0.00 0.00 179.01 178.96 3gee h SER 153 N -0.08 0.00 -0.20 1.42 4.64 -1.94 0.13 113.55 117.51 3gee h SER 153 Ca 0.03 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 3gee h SER 153 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3gee h SER 153 CO -0.07 0.14 -0.59 0.00 -0.87 0.00 0.00 176.83 175.44 3gee h ALA 154 N 1.86 0.34 0.11 5.18 0.00 -1.67 -2.49 119.26 122.60 3gee h ALA 154 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3gee h ALA 154 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gee h ALA 154 CO 0.02 0.59 -0.05 -0.92 0.00 0.00 0.00 179.25 178.88 3gee h TYR 155 N 0.48 -0.14 -0.20 0.00 3.20 -0.32 -2.59 116.97 117.40 3gee h TYR 155 Ca -0.02 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 3gee h TYR 155 Cb 1.21 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 3gee h TYR 155 CO 0.09 -0.00 0.02 0.00 -1.64 0.00 0.00 178.16 176.63 3gee h ARG 156 N -0.25 0.29 -0.41 1.82 2.47 -0.85 -1.93 114.38 115.52 3gee h ARG 156 Ca -0.02 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 3gee h ARG 156 Cb 0.20 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3gee h ARG 156 CO 0.03 0.29 -0.21 1.15 0.56 0.00 0.00 179.97 181.79 3gee h THR 157 N 0.29 1.28 -0.45 2.04 2.02 -1.35 -2.51 112.91 114.23 3gee h THR 157 Ca 0.07 -1.35 -0.12 0.00 0.77 0.00 0.00 66.41 65.78 3gee h THR 157 Cb 0.16 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3gee h THR 157 CO 0.00 0.45 -0.19 0.00 0.37 0.00 0.00 175.52 176.15 3gee h ALA 158 N 0.82 0.81 -0.26 6.16 0.00 -1.04 -2.15 119.26 123.60 3gee h ALA 158 Ca 0.09 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.67 3gee h ALA 158 Cb 0.77 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3gee h ALA 158 CO 0.06 0.65 0.04 0.28 0.00 0.00 0.00 179.25 180.28 3gee h VAL 159 N 0.78 0.87 -0.52 0.00 2.07 -1.30 0.24 116.25 118.38 3gee h VAL 159 Ca 0.11 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.65 3gee h VAL 159 Cb 0.73 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3gee h VAL 159 CO 0.06 0.03 0.20 -1.28 0.02 0.00 0.00 177.57 176.59 3gee h SER 160 N 0.14 0.22 0.43 0.57 0.87 -1.29 0.36 113.55 114.84 3gee h SER 160 Ca 0.12 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 3gee h SER 160 Cb 0.13 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3gee h SER 160 CO -0.16 0.15 -0.50 -0.61 -0.53 0.00 0.00 176.83 175.18 3gee h GLN 161 N 0.39 0.08 -0.16 2.24 4.15 -0.78 -1.26 115.11 119.77 3gee h GLN 161 Ca 0.25 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.52 3gee h GLN 161 Cb 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3gee h GLN 161 CO -0.24 0.56 -0.32 1.98 -1.93 0.00 0.00 178.83 178.89 3gee h MET 162 N 0.07 0.49 -0.10 1.69 4.05 -0.06 -2.60 114.93 118.46 3gee h MET 162 Ca -0.00 -0.32 0.03 0.00 -0.28 0.00 0.00 59.70 59.13 3gee h MET 162 Cb 0.91 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.74 3gee h MET 162 CO 0.07 0.92 0.10 -0.22 0.23 0.00 0.00 176.91 178.02 3gee h LYS 163 N 0.12 0.00 0.00 0.39 3.64 -0.79 -3.47 116.57 116.46 3gee h LYS 163 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gee h LYS 163 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3gee h LYS 163 CO 0.07 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.66 3gee n GLY 164 N -1.39 0.94 0.31 5.01 0.00 -0.52 -5.00 105.19 104.54 3gee n GLY 164 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3gee n GLY 164 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gee h ASP 165 N 0.00 -0.38 -0.36 1.61 5.19 -1.67 0.29 116.42 121.11 3gee h ASP 165 Ca 0.00 0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.60 3gee h ASP 165 Cb 0.00 0.40 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3gee h ASP 165 CO 0.00 -0.24 0.08 0.25 -3.12 0.00 0.00 179.24 176.21 3gee h LEU 166 N 0.08 0.55 -0.87 1.55 6.46 -1.88 -2.51 115.31 118.69 3gee h LEU 166 Ca 0.50 -0.24 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 3gee h LEU 166 Cb 0.94 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.67 3gee h LEU 166 CO -0.77 0.65 0.55 0.28 -0.62 0.00 0.00 178.44 178.53 3gee h SER 167 N 0.43 0.90 0.10 1.25 0.02 -0.90 0.36 113.55 115.70 3gee h SER 167 Ca 0.11 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3gee h SER 167 Cb 0.32 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3gee h SER 167 CO 0.00 0.60 -0.21 0.58 -1.14 0.00 0.00 176.83 176.67 3gee h VAL 168 N 1.05 0.53 -0.80 2.27 2.07 -0.75 0.38 116.25 121.00 3gee h VAL 168 Ca 0.36 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.90 3gee h VAL 168 Cb 0.08 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3gee h VAL 168 CO -0.14 0.00 0.52 0.03 0.02 0.00 0.00 177.57 178.00 3gee h ARG 169 N -0.39 1.01 -0.09 1.57 2.47 -0.79 -0.00 114.38 118.16 3gee h ARG 169 Ca 0.03 -0.06 -0.15 0.00 -1.26 0.00 0.00 59.98 58.54 3gee h ARG 169 Cb 0.41 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3gee h ARG 169 CO -0.12 0.67 -0.60 -0.07 0.56 0.00 0.00 179.97 180.41 3gee h LEU 170 N 1.04 0.33 -1.24 3.04 3.38 -0.17 -2.38 115.31 119.31 3gee h LEU 170 Ca 0.31 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3gee h LEU 170 Cb -0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3gee h LEU 170 CO -0.09 0.85 0.03 1.23 0.09 0.00 0.00 178.44 180.55 3gee h GLY 171 N 1.40 0.59 1.39 0.83 0.00 0.19 -1.25 103.07 106.22 3gee h GLY 171 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3gee h GLY 171 CO 0.10 0.32 0.00 0.61 0.00 0.00 0.00 176.54 177.56 3gee n GLY 172 N -0.92 -0.86 0.09 4.60 0.00 -0.05 -2.30 105.19 105.76 3gee n GLY 172 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3gee n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gee n LEU 173 N -1.19 1.78 0.28 0.99 4.77 -0.77 -4.22 117.00 118.63 3gee n LEU 173 Ca 0.12 -0.07 0.18 0.00 -0.03 0.00 0.00 56.01 56.21 3gee n LEU 173 Cb 0.13 -0.27 0.95 0.00 -2.33 0.00 0.00 43.42 41.90 3gee n LEU 173 CO 0.14 0.67 1.15 0.03 -1.33 0.00 0.00 177.39 178.05 3gee h ARG 174 N 0.00 0.00 0.15 3.23 3.08 -1.07 -2.78 114.38 116.99 3gee h ARG 174 Ca -0.45 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 3gee h ARG 174 Cb 1.83 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.86 3gee h ARG 174 CO -0.03 0.00 -0.26 1.49 -1.07 0.00 0.00 179.97 180.10 3gee h GLU 175 N 0.00 -0.42 -0.07 0.04 4.57 -1.63 0.35 114.58 117.43 3gee h GLU 175 Ca 0.03 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.15 3gee h GLU 175 Cb 0.29 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3gee h GLU 175 CO -0.00 -0.28 -0.38 1.96 -1.18 0.00 0.00 179.01 179.13 3gee h GLN 176 N -0.43 0.14 0.00 1.92 7.50 -1.77 0.45 115.11 122.91 3gee h GLN 176 Ca -0.02 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.07 3gee h GLN 176 Cb 0.40 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.93 3gee h GLN 176 CO -0.09 0.50 0.00 1.28 -1.50 0.00 0.00 178.83 179.02 3gee n LEU 177 N -4.07 0.00 -0.13 1.46 4.77 -1.06 0.13 117.00 118.10 3gee n LEU 177 Ca -0.02 0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 56.03 3gee n LEU 177 Cb 0.44 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 3gee n LEU 177 CO 0.40 -0.08 -1.37 -0.38 -1.33 0.00 0.00 177.39 174.63 3gee n ILE 178 N -1.27 1.50 0.48 -0.08 2.08 0.10 -4.18 119.36 117.99 3gee n ILE 178 Ca 0.10 -0.52 -0.19 0.00 0.56 0.00 0.00 62.75 62.70 3gee n ILE 178 Cb 0.17 -1.55 -0.09 0.00 -0.75 0.00 0.00 39.64 37.42 3gee n ILE 178 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 3gee h ARG 179 N -0.27 -1.18 0.00 0.38 2.43 -0.32 -2.26 114.38 113.16 3gee h ARG 179 Ca -0.61 0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 58.60 3gee h ARG 179 Cb 1.82 0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 31.64 3gee h ARG 179 CO -0.18 -0.79 -0.19 0.77 -1.51 0.00 0.00 179.97 178.08 3gee h SER 180 N -1.27 0.00 0.12 -3.80 0.02 0.75 -3.05 113.55 106.32 3gee h SER 180 Ca -0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3gee h SER 180 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3gee h SER 180 CO 0.21 0.19 -0.06 0.00 -1.14 0.00 0.00 176.83 176.03 3gee h ALA 182 N -0.81 1.00 0.00 0.00 0.00 -1.54 0.14 119.26 118.06 3gee h ALA 182 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3gee h ALA 182 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gee h ALA 182 CO 0.03 0.00 -0.26 1.25 0.00 0.00 0.00 179.25 180.27 3gee h LEU 183 N 0.00 0.00 0.00 0.00 6.46 -1.61 -3.07 115.31 117.09 3gee h LEU 183 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3gee h LEU 183 Cb 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3gee h LEU 183 CO 0.00 0.26 -0.79 -0.38 -0.62 0.00 0.00 178.44 176.92 3gee n ILE 184 N -4.03 0.00 0.89 4.05 5.41 -0.32 -4.41 119.36 120.95 3gee n ILE 184 Ca -0.02 -0.26 0.10 0.00 1.00 0.00 0.00 62.75 63.57 3gee n ILE 184 Cb 0.33 0.75 0.49 0.00 -0.71 0.00 0.00 39.64 40.49 3gee n ILE 184 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3gee n GLU 185 N -1.43 0.24 -1.19 0.38 -0.58 0.35 -2.71 120.64 115.70 3gee n GLU 185 Ca 0.01 0.11 -0.21 0.00 -0.42 0.00 0.00 57.16 56.64 3gee n GLU 185 Cb 0.18 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 29.71 3gee n GLU 185 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gee n LEU 186 N -1.32 6.23 -1.06 -4.62 7.99 -1.18 -4.24 117.00 118.79 3gee n LEU 186 Ca 0.09 -3.83 0.12 0.00 -0.01 0.00 0.00 56.01 52.37 3gee n LEU 186 Cb 0.17 -0.80 0.24 0.00 -0.11 0.00 0.00 43.42 42.92 3gee n LEU 186 CO 0.16 1.23 0.71 -0.62 -1.51 0.00 0.00 177.39 177.36 3gee n GLU 187 N -1.08 2.38 -0.30 3.23 -0.58 -1.10 -4.44 120.64 118.75 3gee n GLU 187 Ca 0.54 -2.09 -0.03 0.00 -0.42 0.00 0.00 57.16 55.16 3gee n GLU 187 Cb 1.31 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 30.77 3gee n GLU 187 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 3gee h LEU 188 N 4.13 0.91 0.00 -4.62 8.10 -1.84 -3.39 115.31 118.59 3gee h LEU 188 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.97 3gee h LEU 188 Cb 0.91 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.91 3gee h LEU 188 CO 0.00 0.65 -0.28 0.47 -4.11 0.00 0.00 178.44 175.17 3gee n ASP 189 N -4.54 1.39 -2.13 0.17 8.00 -1.26 -4.88 116.55 113.30 3gee n ASP 189 Ca 0.09 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.36 3gee n ASP 189 Cb 0.04 0.16 0.03 0.00 -0.02 0.00 0.00 41.12 41.33 3gee n ASP 189 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gee n PHE 190 N -0.83 1.93 -3.66 1.24 3.01 -1.26 -4.80 117.46 113.10 3gee n PHE 190 Ca 0.00 -2.19 -0.38 0.00 1.01 0.00 0.00 57.45 55.90 3gee n PHE 190 Cb 0.11 -1.14 -0.08 0.00 -0.01 0.00 0.00 39.48 38.36 3gee n PHE 190 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gee s SER 191 N -0.23 5.55 0.00 4.37 0.01 -1.26 -4.60 113.70 117.54 3gee s SER 191 Ca 0.44 -3.02 0.00 0.00 1.31 0.00 0.00 55.95 54.68 3gee s SER 191 Cb 0.33 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.65 3gee s SER 191 CO -0.06 -0.35 0.00 -0.62 0.41 0.00 0.00 173.24 172.62 3gee n GLU 192 N 3.30 0.00 -2.76 12.44 4.71 -1.26 -4.94 120.64 132.12 3gee n GLU 192 Ca 0.11 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.17 3gee n GLU 192 Cb 0.39 -0.52 0.08 0.00 -1.01 0.00 0.00 31.44 30.38 3gee n GLU 192 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3gee n GLU 193 N -2.66 1.07 -2.67 3.49 2.13 -1.26 -5.14 120.64 115.59 3gee n GLU 193 Ca 0.00 -2.10 -0.42 0.00 0.66 0.00 0.00 57.16 55.30 3gee n GLU 193 Cb 0.36 -0.84 -0.03 0.00 0.27 0.00 0.00 31.44 31.21 3gee n GLU 193 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3gee s ASP 194 N -1.45 7.27 0.18 4.31 3.68 -1.26 -5.03 116.67 124.37 3gee s ASP 194 Ca 0.24 1.62 -0.11 0.00 2.13 0.00 0.00 52.55 56.43 3gee s ASP 194 Cb 0.33 -2.56 -0.00 0.00 -1.45 0.00 0.00 42.92 39.24 3gee s ASP 194 CO -0.06 -0.39 0.34 0.68 0.13 0.00 0.00 175.17 175.88 3gee s VAL 195 N 1.62 0.05 -0.21 1.11 -7.23 -1.26 -5.06 120.40 109.43 3gee s VAL 195 Ca 0.51 -1.29 0.19 0.00 -1.81 0.00 0.00 61.98 59.57 3gee s VAL 195 Cb -0.20 -1.84 0.47 0.00 0.56 0.00 0.00 36.38 35.37 3gee s VAL 195 CO 0.22 -0.23 1.15 -0.62 -0.31 0.00 0.00 175.10 175.32 3gee n GLU 196 N -0.26 1.76 -2.90 4.82 4.71 -1.26 -5.05 120.64 122.47 3gee n GLU 196 Ca -0.07 -3.31 -0.06 0.00 -0.01 0.00 0.00 57.16 53.71 3gee n GLU 196 Cb 0.63 -1.41 0.01 0.00 -1.01 0.00 0.00 31.44 29.65 3gee n GLU 196 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 3gee n PHE 197 N -0.44 -3.23 -3.45 -0.32 1.16 -1.26 -4.24 117.46 105.67 3gee n PHE 197 Ca 0.16 1.38 -0.21 0.00 -1.87 0.00 0.00 57.45 56.91 3gee n PHE 197 Cb 0.90 -3.46 0.04 0.00 -1.61 0.00 0.00 39.48 35.35 3gee n PHE 197 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gee n GLN 198 N 0.37 -1.58 0.05 3.97 -0.00 -1.26 -4.96 117.38 113.96 3gee n GLN 198 Ca 0.03 0.77 -0.15 0.00 -0.00 0.00 0.00 57.00 57.65 3gee n GLN 198 Cb 0.28 -4.81 -0.14 0.00 -0.00 0.00 0.00 30.24 25.57 3gee n GLN 198 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3gee h SER 199 N -1.17 0.31 0.86 2.61 0.87 -1.97 -3.34 113.55 111.72 3gee h SER 199 Ca -0.55 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 59.56 3gee h SER 199 Cb 1.29 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 3gee h SER 199 CO 0.43 1.38 0.00 0.03 -0.53 0.00 0.00 176.83 178.15 3gee h ARG 200 N 0.05 0.00 -0.35 2.24 3.08 -1.95 -2.91 114.38 114.55 3gee h ARG 200 Ca -0.24 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 3gee h ARG 200 Cb 2.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.04 3gee h ARG 200 CO 0.14 0.00 -0.32 0.22 -1.07 0.00 0.00 179.97 178.95 3gee h ASP 201 N 0.00 0.79 1.35 7.04 -0.00 -1.98 -3.05 116.42 120.57 3gee h ASP 201 Ca 0.00 -0.32 -0.12 0.00 -0.00 0.00 0.00 57.03 56.59 3gee h ASP 201 Cb 0.43 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.52 3gee h ASP 201 CO 0.00 1.05 -0.67 -0.33 -0.00 0.00 0.00 179.24 179.28 3gee h GLU 202 N 0.64 0.00 -0.65 0.28 4.39 -1.73 -3.30 114.58 114.22 3gee h GLU 202 Ca 0.07 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 3gee h GLU 202 Cb 0.85 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3gee h GLU 202 CO 0.07 0.49 0.06 1.25 -1.16 0.00 0.00 179.01 179.73 3gee h LEU 203 N 0.00 1.07 -0.67 1.33 5.85 -1.46 0.33 115.31 121.76 3gee h LEU 203 Ca -0.03 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.33 3gee h LEU 203 Cb 1.43 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3gee h LEU 203 CO 0.07 1.08 0.04 0.74 -0.34 0.00 0.00 178.44 180.02 3gee h THR 204 N 1.02 1.26 -0.00 1.05 2.02 -1.65 -1.81 112.91 114.80 3gee h THR 204 Ca 0.19 -1.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.18 3gee h THR 204 Cb 0.49 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3gee h THR 204 CO 0.02 0.41 -0.38 0.24 0.37 0.00 0.00 175.52 176.18 3gee h MET 205 N 0.98 0.01 -0.40 6.66 2.86 -1.57 0.13 114.93 123.60 3gee h MET 205 Ca 0.18 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 3gee h MET 205 Cb 0.51 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3gee h MET 205 CO 0.02 0.39 0.01 1.96 1.06 0.00 0.00 176.91 180.35 3gee h GLN 206 N 0.01 0.70 -0.18 1.72 1.08 -0.61 -3.01 115.11 114.81 3gee h GLN 206 Ca -0.00 -0.22 -0.11 0.00 -1.45 0.00 0.00 58.65 56.87 3gee h GLN 206 Cb 0.67 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 3gee h GLN 206 CO 0.05 0.78 -0.32 0.82 -0.95 0.00 0.00 178.83 179.21 3gee h ILE 207 N 0.53 1.34 -0.66 2.54 1.08 -1.04 -1.93 117.51 119.37 3gee h ILE 207 Ca 0.11 -1.55 -0.00 0.00 -0.39 0.00 0.00 64.86 63.03 3gee h ILE 207 Cb 0.46 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.06 3gee h ILE 207 CO 0.02 0.47 0.40 -0.33 -0.69 0.00 0.00 178.15 178.02 3gee h GLU 208 N 0.20 0.89 0.00 2.37 5.08 -1.05 0.60 114.58 122.67 3gee h GLU 208 Ca 0.01 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3gee h GLU 208 Cb 0.91 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3gee h GLU 208 CO 0.07 0.62 -0.60 1.15 -1.00 0.00 0.00 179.01 179.26 3gee h THR 209 N 0.91 0.70 0.09 1.13 2.02 -1.58 -3.05 112.91 113.13 3gee h THR 209 Ca 0.24 -2.03 -0.23 0.00 0.77 0.00 0.00 66.41 65.16 3gee h THR 209 Cb -0.04 2.30 0.02 0.00 -1.74 0.00 0.00 68.15 68.69 3gee h THR 209 CO -0.05 0.40 -0.97 0.25 0.37 0.00 0.00 175.52 175.52 3gee h LEU 210 N 0.00 0.69 -0.46 2.58 7.12 -0.40 -2.95 115.31 121.89 3gee h LEU 210 Ca -0.03 -0.84 -0.17 0.00 0.13 0.00 0.00 57.88 56.98 3gee h LEU 210 Cb 1.36 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 41.27 3gee h LEU 210 CO 0.05 1.46 -0.64 -0.09 -0.13 0.00 0.00 178.44 179.09 3gee h ARG 211 N 0.02 0.48 0.00 1.25 1.12 0.04 -2.71 114.38 114.58 3gee h ARG 211 Ca -0.15 -0.35 -0.09 0.00 -1.11 0.00 0.00 59.98 58.28 3gee h ARG 211 Cb 1.69 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.70 3gee h ARG 211 CO 0.19 0.97 -0.43 0.66 -3.11 0.00 0.00 179.97 178.24 3gee h SER 212 N 0.35 0.00 -0.11 -3.80 4.64 -1.65 -0.59 113.55 112.40 3gee h SER 212 Ca -0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 3gee h SER 212 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3gee h SER 212 CO 0.12 0.43 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.81 3gee h GLU 213 N 0.00 0.62 -0.29 4.77 4.39 -1.39 -1.89 114.58 120.79 3gee h GLU 213 Ca -0.00 -0.30 -0.16 0.00 0.34 0.00 0.00 59.36 59.23 3gee h GLU 213 Cb 0.83 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 3gee h GLU 213 CO 0.06 0.89 -0.46 0.28 -1.16 0.00 0.00 179.01 178.62 3gee h VAL 214 N 0.52 1.29 -0.25 3.13 2.07 -1.15 -3.20 116.25 118.65 3gee h VAL 214 Ca 0.05 -1.65 -0.07 0.00 0.82 0.00 0.00 66.70 65.85 3gee h VAL 214 Cb 0.88 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3gee h VAL 214 CO 0.08 0.53 -0.16 0.78 0.02 0.00 0.00 177.57 178.82 3gee h ASN 215 N 0.60 0.41 -0.86 0.57 2.35 -0.99 -1.08 115.58 116.59 3gee h ASN 215 Ca 0.04 -0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3gee h ASN 215 Cb 1.02 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.23 3gee h ASN 215 CO 0.10 0.60 0.56 -0.09 -1.65 0.00 0.00 177.43 176.95 3gee h ARG 216 N 0.39 1.00 0.14 0.81 2.43 -1.34 -2.71 114.38 115.11 3gee h ARG 216 Ca 0.07 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3gee h ARG 216 Cb 0.51 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3gee h ARG 216 CO 0.03 0.66 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.02 3gee h LEU 217 N 1.03 -0.16 -1.82 3.80 3.38 -1.41 -3.22 115.31 116.90 3gee h LEU 217 Ca 0.35 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 58.06 3gee h LEU 217 Cb 0.09 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3gee h LEU 217 CO -0.11 0.41 0.52 0.16 0.09 0.00 0.00 178.44 179.51 3gee h ILE 218 N -0.88 0.25 -0.13 1.22 3.07 -1.19 0.11 117.51 119.96 3gee h ILE 218 Ca -0.02 0.00 -0.22 0.00 1.55 0.00 0.00 64.86 66.17 3gee h ILE 218 Cb 0.53 0.56 0.01 0.00 -0.27 0.00 0.00 36.82 37.65 3gee h ILE 218 CO 0.03 0.00 -0.79 0.44 -1.05 0.00 0.00 178.15 176.78 3gee h ASP 219 N 0.00 0.87 0.65 2.16 3.45 -1.50 -3.29 116.42 118.76 3gee h ASP 219 Ca 0.18 -0.58 0.00 0.00 0.43 0.00 0.00 57.03 57.07 3gee h ASP 219 Cb 1.23 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.74 3gee h ASP 219 CO -0.00 1.37 0.00 0.77 -1.57 0.00 0.00 179.24 179.81 3gee h SER 220 N 0.49 0.00 -0.07 6.45 4.64 -0.79 -3.01 113.55 121.27 3gee h SER 220 Ca -0.05 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3gee h SER 220 Cb 1.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3gee h SER 220 CO 0.16 0.00 0.06 0.22 -0.87 0.00 0.00 176.83 176.40 3gee h TYR 221 N 0.00 0.00 -0.21 4.77 5.03 -1.63 0.31 116.97 125.25 3gee h TYR 221 Ca 0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 3gee h TYR 221 Cb 0.33 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 3gee h TYR 221 CO 0.00 0.00 0.11 0.37 -1.32 0.00 0.00 178.16 177.32 3gee h GLN 222 N 0.00 0.29 -0.09 1.82 5.75 -1.77 -0.62 115.11 120.49 3gee h GLN 222 Ca 0.03 -0.03 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 3gee h GLN 222 Cb 0.16 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.66 3gee h GLN 222 CO -0.00 0.28 -0.71 0.45 -2.65 0.00 0.00 178.83 176.20 3gee h HIS 223 N 0.23 0.89 -0.26 3.99 3.86 -1.55 -3.35 115.15 118.96 3gee h HIS 223 Ca 0.07 -0.42 0.03 0.00 -1.16 0.00 0.00 60.37 58.90 3gee h HIS 223 Cb 0.07 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3gee h HIS 223 CO -0.04 1.23 0.07 0.78 0.86 0.00 0.00 177.93 180.83 3gee h GLY 224 N 0.30 0.30 0.95 2.45 0.00 -0.28 -1.88 103.07 104.91 3gee h GLY 224 Ca -0.06 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.28 3gee h GLY 224 CO 0.14 0.01 0.59 -0.09 0.00 0.00 0.00 176.54 177.19 3gee h ARG 225 N 0.17 1.05 -0.19 4.80 2.43 -1.27 0.69 114.38 122.06 3gee h ARG 225 Ca 0.11 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3gee h ARG 225 Cb 0.10 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3gee h ARG 225 CO -0.14 0.70 0.09 0.82 -1.51 0.00 0.00 179.97 179.94 3gee h ILE 226 N 1.09 1.13 -0.45 1.20 2.04 -1.58 0.12 117.51 121.06 3gee h ILE 226 Ca 0.37 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 3gee h ILE 226 Cb 0.08 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3gee h ILE 226 CO -0.12 0.12 0.10 0.58 0.00 0.00 0.00 178.15 178.84 3gee h VAL 227 N 0.18 1.24 0.30 1.67 2.07 -0.69 0.21 116.25 121.24 3gee h VAL 227 Ca 0.07 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3gee h VAL 227 Cb 0.11 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3gee h VAL 227 CO -0.01 0.29 -0.15 -1.28 0.02 0.00 0.00 177.57 176.45 3gee h SER 228 N 0.59 -0.35 -0.34 0.57 0.87 -0.83 -3.38 113.55 110.70 3gee h SER 228 Ca 0.14 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3gee h SER 228 Cb 0.33 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3gee h SER 228 CO 0.00 -0.11 0.00 -1.84 -0.53 0.00 0.00 176.83 174.35 3gee n GLU 229 N -3.86 2.91 -0.35 2.24 0.28 0.41 -5.00 120.64 117.27 3gee n GLU 229 Ca -0.05 -2.28 0.04 0.00 -0.16 0.00 0.00 57.16 54.71 3gee n GLU 229 Cb 0.16 -1.43 -0.02 0.00 1.43 0.00 0.00 31.44 31.58 3gee n GLU 229 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3gee n GLY 230 N 0.28 -2.38 3.60 -1.84 0.00 0.74 -4.73 105.19 100.85 3gee n GLY 230 Ca 0.15 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 3gee n GLY 230 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gee s VAL 231 N -2.70 3.82 -0.07 1.61 1.01 0.54 -4.45 120.40 120.16 3gee s VAL 231 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 3gee s VAL 231 Cb 0.00 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3gee s VAL 231 CO 0.00 -0.69 1.27 -0.94 0.00 0.00 0.00 175.10 174.74 3gee s SER 232 N 4.37 6.98 -0.07 3.32 1.04 -1.26 -1.26 113.70 126.82 3gee s SER 232 Ca 0.65 1.86 0.03 0.00 0.48 0.00 0.00 55.95 58.96 3gee s SER 232 Cb -0.15 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.42 3gee s SER 232 CO 0.33 -0.66 -0.13 0.42 0.98 0.00 0.00 173.24 174.18 3gee s THR 233 N 2.59 1.22 -0.14 2.02 -4.23 0.20 -0.57 115.64 116.73 3gee s THR 233 Ca 0.58 -0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 60.46 3gee s THR 233 Cb -0.26 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 3gee s THR 233 CO 0.21 0.37 0.16 -0.69 -0.54 0.00 0.00 174.62 174.13 3gee s VAL 234 N 0.59 5.44 -0.39 2.29 1.01 -0.37 -2.22 120.40 126.75 3gee s VAL 234 Ca -0.14 0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 3gee s VAL 234 Cb -0.16 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.84 3gee s VAL 234 CO 0.04 0.55 0.21 -0.63 0.00 0.00 0.00 175.10 175.27 3gee s ILE 235 N -0.50 4.16 0.41 2.22 1.01 -0.91 -0.81 121.20 126.78 3gee s ILE 235 Ca 0.13 -1.26 0.08 0.00 0.00 0.00 0.00 60.65 59.59 3gee s ILE 235 Cb -0.12 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 3gee s ILE 235 CO 0.02 -0.39 0.36 0.00 0.00 0.00 0.00 174.94 174.93 3gee s ALA 236 N 1.43 4.01 0.00 9.38 0.00 -0.11 -4.78 121.76 131.69 3gee s ALA 236 Ca 0.02 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.08 3gee s ALA 236 Cb -0.21 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 21.94 3gee s ALA 236 CO 0.03 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3gee n GLY 237 N -1.51 4.38 3.81 0.00 0.00 -1.26 -0.77 105.19 109.84 3gee n GLY 237 Ca 0.03 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 3gee n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gee s LYS 238 N -3.65 2.82 0.33 1.61 1.02 -1.26 -4.92 119.74 115.70 3gee s LYS 238 Ca 0.00 0.96 -0.25 0.00 0.02 0.00 0.00 55.97 56.71 3gee s LYS 238 Cb 0.00 -1.98 -0.15 0.00 -0.52 0.00 0.00 37.83 35.19 3gee s LYS 238 CO 0.00 -1.18 0.56 -2.30 -0.92 0.00 0.00 175.35 171.51 3gee n PRO 239 N -3.19 0.48 -1.01 -1.68 -0.02 -1.26 -2.20 135.00 126.12 3gee n PRO 239 Ca 0.08 0.17 -0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3gee n PRO 239 Cb 0.54 -1.35 -0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3gee n PRO 239 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3gee n ASN 240 N 1.63 -3.89 0.05 2.55 2.85 -1.26 -4.91 115.26 112.28 3gee n ASN 240 Ca 0.13 0.01 -0.02 0.00 -0.11 0.00 0.00 54.58 54.59 3gee n ASN 240 Cb 0.34 -1.42 0.24 0.00 1.24 0.00 0.00 39.78 40.17 3gee n ASN 240 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gee h ALA 241 N 0.00 1.17 0.00 5.20 0.00 -1.79 -3.47 119.26 120.38 3gee h ALA 241 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gee h ALA 241 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gee h ALA 241 CO 0.01 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.20 3gee n GLY 242 N -0.42 1.76 0.15 0.00 0.00 -1.26 -4.28 105.19 101.14 3gee n GLY 242 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3gee n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gee h LYS 243 N 0.09 -0.16 -0.47 1.61 1.57 -1.92 -0.65 116.57 116.65 3gee h LYS 243 Ca 0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gee h LYS 243 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3gee h LYS 243 CO 0.00 -0.10 0.29 1.03 -0.57 0.00 0.00 179.45 180.10 3gee h SER 244 N -0.16 0.55 -0.54 0.86 0.87 -1.99 -1.93 113.55 111.21 3gee h SER 244 Ca 0.06 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3gee h SER 244 Cb 0.24 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 3gee h SER 244 CO -0.14 0.43 0.25 0.74 -0.53 0.00 0.00 176.83 177.58 3gee h THR 245 N 0.62 1.20 -0.06 2.23 2.02 -1.82 -2.54 112.91 114.57 3gee h THR 245 Ca 0.17 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 3gee h THR 245 Cb -0.03 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3gee h THR 245 CO -0.03 0.24 -0.10 0.25 0.37 0.00 0.00 175.52 176.24 3gee h LEU 246 N 0.81 0.19 -0.13 2.58 6.46 -1.00 -3.14 115.31 121.09 3gee h LEU 246 Ca 0.20 -0.55 0.04 0.00 -0.12 0.00 0.00 57.88 57.45 3gee h LEU 246 Cb 0.13 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.94 3gee h LEU 246 CO -0.02 0.71 -0.42 0.25 -0.62 0.00 0.00 178.44 178.34 3gee h LEU 247 N -0.32 -1.31 -0.69 2.25 6.46 -0.98 -0.85 115.31 119.88 3gee h LEU 247 Ca 0.00 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 3gee h LEU 247 Cb 0.67 0.53 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 3gee h LEU 247 CO 0.02 -0.43 0.00 -0.55 -0.62 0.00 0.00 178.44 176.87 3gee h ASN 248 N -0.49 0.00 1.30 1.25 -1.07 -1.60 -2.66 115.58 112.31 3gee h ASN 248 Ca 0.07 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.34 3gee h ASN 248 Cb 0.63 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.86 3gee h ASN 248 CO -0.39 0.00 -0.73 0.71 0.07 0.00 0.00 177.43 177.09 3gee h THR 249 N 0.00 0.65 0.00 6.14 1.35 -1.30 -3.24 112.91 116.52 3gee h THR 249 Ca 0.00 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 3gee h THR 249 Cb 0.58 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3gee h THR 249 CO 0.00 0.37 0.00 0.18 -0.25 0.00 0.00 175.52 175.82 3gee n LEU 250 N -3.10 0.00 0.00 3.87 4.77 -0.40 -5.10 117.00 117.04 3gee n LEU 250 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3gee n LEU 250 Cb 0.73 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3gee n LEU 250 CO 0.41 -0.03 0.00 0.18 -1.33 0.00 0.00 177.39 176.62 3gee n LEU 251 N -1.22 0.00 0.00 2.23 4.77 -1.23 -4.84 117.00 116.71 3gee n LEU 251 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3gee n LEU 251 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3gee n LEU 251 CO 0.19 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.46 3gee n GLU 270 N 0.00 0.00 -4.32 3.23 4.07 -0.43 -5.00 120.64 118.20 3gee n GLU 270 Ca 0.00 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.88 3gee n GLU 270 Cb 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.27 3gee n GLU 270 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3gee s GLU 271 N 0.00 1.23 0.02 5.31 0.41 -1.09 -5.02 118.70 119.56 3gee s GLU 271 Ca 0.00 -1.34 -0.13 0.00 -0.41 0.00 0.00 54.97 53.09 3gee s GLU 271 Cb 0.00 -1.32 0.02 0.00 -1.78 0.00 0.00 34.13 31.05 3gee s GLU 271 CO 0.00 0.27 0.27 0.00 -0.49 0.00 0.00 175.26 175.31 3gee s PHE 273 N -2.00 1.16 -0.03 0.00 -0.71 -1.10 -4.96 117.98 110.35 3gee s PHE 273 Ca -0.09 -1.06 0.03 0.00 -1.04 0.00 0.00 56.93 54.77 3gee s PHE 273 Cb -0.03 -0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 41.08 3gee s PHE 273 CO -0.00 -0.27 -0.09 0.42 -1.34 0.00 0.00 175.22 173.94 3gee s ILE 274 N -3.73 3.50 -0.23 -4.49 1.01 -1.26 -1.27 121.20 114.74 3gee s ILE 274 Ca 0.24 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 3gee s ILE 274 Cb 0.06 -2.46 0.07 0.00 0.01 0.00 0.00 42.46 40.14 3gee s ILE 274 CO 0.04 0.50 0.57 -2.28 0.00 0.00 0.00 174.94 173.76 3gee s HIS 275 N -0.88 -0.80 -1.40 3.97 2.46 -0.30 -4.95 115.29 113.39 3gee s HIS 275 Ca 0.14 1.70 -0.04 0.00 0.47 0.00 0.00 55.06 57.34 3gee s HIS 275 Cb -0.11 0.40 0.02 0.00 -0.13 0.00 0.00 32.58 32.77 3gee s HIS 275 CO 0.04 -0.41 0.68 -0.25 -2.47 0.00 0.00 174.74 172.33 3gee n ASP 276 N 3.87 -1.72 -1.98 9.88 10.43 -1.26 -1.79 116.55 133.98 3gee n ASP 276 Ca -0.19 -0.87 -0.19 0.00 2.57 0.00 0.00 54.79 56.10 3gee n ASP 276 Cb 0.57 -3.68 -0.05 0.00 1.84 0.00 0.00 41.12 39.80 3gee n ASP 276 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3gee n LYS 277 N -4.39 -1.61 -4.47 -1.24 5.02 -1.26 -4.97 118.16 105.23 3gee n LYS 277 Ca -0.22 1.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.89 3gee n LYS 277 Cb 0.64 -5.53 -0.15 0.00 -0.02 0.00 0.00 35.03 29.98 3gee n LYS 277 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gee s THR 278 N -2.78 0.91 -0.10 -0.18 2.01 -0.74 -4.74 115.64 110.02 3gee s THR 278 Ca 0.00 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.37 3gee s THR 278 Cb 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 3gee s THR 278 CO 0.00 0.22 0.19 -0.32 -0.69 0.00 0.00 174.62 174.02 3gee s MET 279 N -0.38 3.54 -0.23 4.92 1.75 -1.26 -1.15 119.30 126.49 3gee s MET 279 Ca 0.04 -0.03 0.02 0.00 -1.25 0.00 0.00 55.69 54.47 3gee s MET 279 Cb -0.05 -3.20 0.05 0.00 2.84 0.00 0.00 34.83 34.47 3gee s MET 279 CO -0.00 0.76 -0.12 -0.06 -0.65 0.00 0.00 175.02 174.94 3gee s PHE 280 N -1.03 2.94 -0.72 4.11 0.40 -0.40 -0.34 117.98 122.94 3gee s PHE 280 Ca 0.17 -2.00 -0.26 0.00 -0.60 0.00 0.00 56.93 54.24 3gee s PHE 280 Cb -0.13 -1.85 0.04 0.00 0.51 0.00 0.00 43.02 41.59 3gee s PHE 280 CO 0.06 -0.83 1.20 1.03 0.70 0.00 0.00 175.22 177.38 3gee s ARG 281 N 1.22 3.18 0.09 0.44 0.52 -0.39 -2.70 118.95 121.31 3gee s ARG 281 Ca -0.04 -0.37 -0.25 0.00 -0.52 0.00 0.00 55.73 54.55 3gee s ARG 281 Cb -0.18 -4.19 -0.06 0.00 0.52 0.00 0.00 34.95 31.04 3gee s ARG 281 CO -0.07 -2.06 0.77 -0.51 0.02 0.00 0.00 175.30 173.45 3gee s LEU 282 N 5.33 4.50 0.00 2.53 1.43 0.99 -0.63 118.68 132.84 3gee s LEU 282 Ca 0.32 1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.80 3gee s LEU 282 Cb -0.10 -3.26 0.05 0.00 0.03 0.00 0.00 46.19 42.91 3gee s LEU 282 CO 0.14 0.08 0.70 1.07 0.23 0.00 0.00 176.35 178.57 3gee n THR 283 N 2.41 0.00 0.00 5.49 5.66 -0.94 -1.31 114.28 125.58 3gee n THR 283 Ca -0.03 -0.56 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 3gee n THR 283 Cb 0.50 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 3gee n THR 283 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3gee n ASP 284 N -1.24 0.00 0.00 1.09 10.43 -1.26 -2.14 116.55 123.43 3gee n ASP 284 Ca -0.04 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.32 3gee n ASP 284 Cb 0.44 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.40 3gee n ASP 284 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 3gee n MET 305 N 0.00 0.00 -2.71 -1.24 3.85 -1.26 -4.81 117.12 110.96 3gee n MET 305 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.70 56.27 3gee n MET 305 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 33.22 32.14 3gee n MET 305 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3gee s LYS 306 N -4.34 3.74 -0.00 3.17 -0.14 -1.26 -4.86 119.74 116.04 3gee s LYS 306 Ca 0.00 0.52 0.19 0.00 -1.36 0.00 0.00 55.97 55.32 3gee s LYS 306 Cb 0.00 -3.87 -0.22 0.00 -1.68 0.00 0.00 37.83 32.06 3gee s LYS 306 CO 0.00 -1.20 0.74 -1.33 -0.76 0.00 0.00 175.35 172.80 3gee n MET 307 N 7.34 0.78 -1.82 1.68 2.81 -1.26 -4.87 117.12 121.76 3gee n MET 307 Ca 0.09 -0.03 -0.42 0.00 -1.81 0.00 0.00 57.70 55.54 3gee n MET 307 Cb 0.48 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.57 3gee n MET 307 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gee s ALA 308 N -2.85 3.71 -0.20 3.04 0.00 -1.26 -3.59 121.76 120.60 3gee s ALA 308 Ca 0.05 1.30 -0.04 0.00 0.00 0.00 0.00 51.96 53.27 3gee s ALA 308 Cb 0.14 -3.74 0.01 0.00 0.00 0.00 0.00 23.12 19.53 3gee s ALA 308 CO 0.77 -1.20 0.16 0.39 0.00 0.00 0.00 175.76 175.88 3gee n GLU 309 N 5.85 -1.65 -3.65 0.00 -0.58 -1.26 -5.10 120.64 114.24 3gee n GLU 309 Ca 0.17 1.60 -0.03 0.00 -0.42 0.00 0.00 57.16 58.48 3gee n GLU 309 Cb 0.40 -3.62 -0.05 0.00 -0.57 0.00 0.00 31.44 27.60 3gee n GLU 309 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gee s ALA 310 N -1.38 -1.91 0.15 0.62 0.00 -1.24 -5.03 121.76 112.98 3gee s ALA 310 Ca 0.07 2.25 -0.07 0.00 0.00 0.00 0.00 51.96 54.21 3gee s ALA 310 Cb -0.02 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 3gee s ALA 310 CO 0.43 -0.82 1.41 -0.44 0.00 0.00 0.00 175.76 176.34 3gee h ASP 311 N 7.86 0.75 -3.38 0.00 3.32 -1.20 -3.39 116.42 120.37 3gee h ASP 311 Ca -0.20 -0.45 -0.36 0.00 0.02 0.00 0.00 57.03 56.05 3gee h ASP 311 Cb 1.12 -0.22 -0.37 0.00 0.22 0.00 0.00 39.33 40.08 3gee h ASP 311 CO 0.11 1.21 -0.74 -0.22 -1.72 0.00 0.00 179.24 177.88 3gee s LEU 312 N -8.33 0.56 -0.20 1.55 2.96 -0.96 -0.53 118.68 113.74 3gee s LEU 312 Ca -0.08 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 3gee s LEU 312 Cb 0.10 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.59 3gee s LEU 312 CO 0.87 -0.19 0.04 -0.63 -1.32 0.00 0.00 176.35 175.11 3gee s ILE 313 N 1.71 4.37 -0.34 6.68 1.01 0.93 -1.24 121.20 134.32 3gee s ILE 313 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 3gee s ILE 313 Cb -0.12 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.39 3gee s ILE 313 CO -0.03 0.42 0.14 -0.76 0.00 0.00 0.00 174.94 174.71 3gee s LEU 314 N 0.83 4.35 -0.34 2.97 1.43 0.01 -1.64 118.68 126.29 3gee s LEU 314 Ca 0.02 -0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 51.96 3gee s LEU 314 Cb -0.14 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 3gee s LEU 314 CO 0.02 -0.31 0.62 -0.47 0.23 0.00 0.00 176.35 176.44 3gee s TYR 315 N 1.49 3.17 -0.13 0.29 5.04 -0.48 -0.94 117.35 125.79 3gee s TYR 315 Ca 0.01 0.39 -0.16 0.00 -2.44 0.00 0.00 57.07 54.87 3gee s TYR 315 Cb -0.19 -3.08 -0.04 0.00 0.35 0.00 0.00 41.96 39.00 3gee s TYR 315 CO 0.04 -0.58 0.40 -0.51 -1.34 0.00 0.00 175.55 173.56 3gee s LEU 316 N 2.65 4.27 -0.04 6.97 1.43 0.05 0.73 118.68 134.74 3gee s LEU 316 Ca 0.24 0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 54.01 3gee s LEU 316 Cb -0.15 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.54 3gee s LEU 316 CO 0.14 0.05 0.09 -1.48 0.23 0.00 0.00 176.35 175.37 3gee s LEU 317 N 0.52 1.30 -0.64 1.79 2.34 -0.61 -4.34 118.68 119.03 3gee s LEU 317 Ca 0.22 0.17 -0.27 0.00 0.06 0.00 0.00 54.13 54.31 3gee s LEU 317 Cb -0.14 0.22 0.00 0.00 -0.56 0.00 0.00 46.19 45.71 3gee s LEU 317 CO 0.08 -0.08 1.58 1.51 -1.06 0.00 0.00 176.35 178.38 3gee s ASP 318 N 0.58 5.73 0.12 1.48 -4.77 -1.26 -0.22 116.67 118.33 3gee s ASP 318 Ca -0.04 0.08 -0.35 0.00 -3.30 0.00 0.00 52.55 48.93 3gee s ASP 318 Cb -0.06 -2.54 -0.15 0.00 -1.09 0.00 0.00 42.92 39.07 3gee s ASP 318 CO -0.02 -2.07 1.48 -0.11 0.70 0.00 0.00 175.17 175.15 3gee n LEU 319 N 11.00 2.43 0.00 2.11 7.94 0.25 -1.29 117.00 139.44 3gee n LEU 319 Ca 0.13 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 3gee n LEU 319 Cb 0.50 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.14 3gee n LEU 319 CO 0.71 -0.63 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 3gee n GLY 320 N 3.03 0.28 0.03 -3.96 0.00 -1.26 -4.66 105.19 98.65 3gee n GLY 320 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 3gee n GLY 320 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3gee n THR 321 N -2.00 0.43 -2.26 2.61 5.66 -0.41 -4.95 114.28 113.36 3gee n THR 321 Ca 0.00 -0.47 -0.43 0.00 -3.05 0.00 0.00 64.05 60.11 3gee n THR 321 Cb 0.00 -0.18 -0.02 0.00 -1.55 0.00 0.00 70.33 68.57 3gee n THR 321 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3gee s GLU 322 N -2.77 4.21 -0.01 1.09 2.02 -0.63 -4.93 118.70 117.69 3gee s GLU 322 Ca -0.06 1.87 -0.19 0.00 0.02 0.00 0.00 54.97 56.61 3gee s GLU 322 Cb 0.08 -3.85 -0.11 0.00 0.10 0.00 0.00 34.13 30.35 3gee s GLU 322 CO 0.62 -0.76 0.87 0.00 0.02 0.00 0.00 175.26 176.02 3gee h ARG 323 N 8.73 -0.67 -5.46 1.61 3.08 -1.92 -3.36 114.38 116.38 3gee h ARG 323 Ca -0.32 0.05 -0.69 0.00 0.07 0.00 0.00 59.98 59.09 3gee h ARG 323 Cb 1.13 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 31.21 3gee h ARG 323 CO 0.96 -0.45 1.76 -0.51 -1.07 0.00 0.00 179.97 180.67 3gee s LEU 324 N -8.66 4.28 0.00 3.04 1.43 -1.26 -4.81 118.68 112.70 3gee s LEU 324 Ca -0.10 -2.50 0.24 0.00 -1.03 0.00 0.00 54.13 50.74 3gee s LEU 324 Cb 0.01 -2.51 1.10 0.00 0.03 0.00 0.00 46.19 44.82 3gee s LEU 324 CO 0.30 -1.06 1.78 -0.67 0.23 0.00 0.00 176.35 176.94 3gee n ASP 325 N 7.42 0.00 -1.34 2.29 2.03 -1.26 -3.08 116.55 122.61 3gee n ASP 325 Ca 0.42 0.27 -0.07 0.00 0.52 0.00 0.00 54.79 55.93 3gee n ASP 325 Cb 0.46 -0.41 0.06 0.00 -0.72 0.00 0.00 41.12 40.50 3gee n ASP 325 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3gee n ASP 326 N -1.41 3.18 -0.33 1.67 9.92 -1.26 -2.88 116.55 125.43 3gee n ASP 326 Ca 0.08 -2.46 0.09 0.00 -0.53 0.00 0.00 54.79 51.97 3gee n ASP 326 Cb 0.24 -0.60 0.42 0.00 -0.64 0.00 0.00 41.12 40.54 3gee n ASP 326 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 3gee n GLU 327 N 0.02 1.44 0.00 -1.24 0.28 -1.18 -3.20 120.64 116.77 3gee n GLU 327 Ca 0.17 -0.66 0.11 0.00 -0.16 0.00 0.00 57.16 56.62 3gee n GLU 327 Cb 0.83 -1.34 0.53 0.00 1.43 0.00 0.00 31.44 32.90 3gee n GLU 327 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 3gee n LEU 328 N -0.11 0.00 0.03 -1.84 -0.00 -1.14 -1.76 117.00 112.18 3gee n LEU 328 Ca 0.15 0.38 -0.14 0.00 -0.00 0.00 0.00 56.01 56.39 3gee n LEU 328 Cb 0.22 -0.38 -0.03 0.00 -0.00 0.00 0.00 43.42 43.23 3gee n LEU 328 CO 0.11 -0.09 0.26 0.74 -0.00 0.00 0.00 177.39 178.41 3gee h THR 329 N 0.00 1.34 -0.64 1.47 2.02 -1.85 -2.65 112.91 112.59 3gee h THR 329 Ca 0.00 -2.15 -0.05 0.00 0.77 0.00 0.00 66.41 64.98 3gee h THR 329 Cb 0.28 2.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 3gee h THR 329 CO 0.00 0.66 0.21 -0.08 0.37 0.00 0.00 175.52 176.68 3gee h GLU 330 N 0.37 1.00 0.00 6.66 4.57 -1.56 -2.58 114.58 123.04 3gee h GLU 330 Ca -0.06 -0.21 -0.10 0.00 -1.18 0.00 0.00 59.36 57.81 3gee h GLU 330 Cb 1.43 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3gee h GLU 330 CO 0.15 0.87 -0.49 -0.84 -1.18 0.00 0.00 179.01 177.52 3gee h ILE 331 N 0.93 1.15 -0.09 2.32 3.07 -1.52 -1.71 117.51 121.66 3gee h ILE 331 Ca 0.21 -1.79 -0.08 0.00 1.55 0.00 0.00 64.86 64.75 3gee h ILE 331 Cb 0.28 2.02 -0.01 0.00 -0.27 0.00 0.00 36.82 38.84 3gee h ILE 331 CO -0.01 0.48 -0.29 0.03 -1.05 0.00 0.00 178.15 177.31 3gee h ARG 332 N 0.00 0.17 0.00 0.16 3.08 -1.21 -2.77 114.38 113.81 3gee h ARG 332 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3gee h ARG 332 Cb 0.98 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3gee h ARG 332 CO 0.06 0.45 -0.89 -0.85 -1.07 0.00 0.00 179.97 177.67 3gee n GLU 333 N -4.14 0.01 0.06 0.04 0.28 -1.00 -2.31 120.64 113.59 3gee n GLU 333 Ca -0.01 -0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.87 3gee n GLU 333 Cb 0.38 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 3gee n GLU 333 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3gee h LEU 334 N 0.00 -0.19 -1.10 -1.84 3.38 -1.31 -2.63 115.31 111.63 3gee h LEU 334 Ca 0.00 -0.35 0.18 0.00 0.09 0.00 0.00 57.88 57.80 3gee h LEU 334 Cb 0.51 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 3gee h LEU 334 CO 0.00 0.35 0.61 0.50 0.09 0.00 0.00 178.44 180.00 3gee h LYS 335 N -0.83 0.71 -0.02 1.13 3.64 -1.59 -1.18 116.57 118.43 3gee h LYS 335 Ca -0.02 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 3gee h LYS 335 Cb 0.53 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3gee h LYS 335 CO 0.04 0.47 -0.69 0.00 -2.27 0.00 0.00 179.45 177.00 3gee h ALA 336 N 1.62 0.80 0.00 5.00 0.00 -1.54 -3.14 119.26 121.99 3gee h ALA 336 Ca 0.55 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gee h ALA 336 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gee h ALA 336 CO -0.33 0.82 -0.16 0.00 0.00 0.00 0.00 179.25 179.59 3gee h ALA 337 N 1.20 0.90 -2.04 0.00 0.00 -0.85 -3.37 119.26 115.09 3gee h ALA 337 Ca -0.01 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 3gee h ALA 337 Cb 1.23 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 3gee h ALA 337 CO 0.10 0.00 -1.03 0.72 0.00 0.00 0.00 179.25 179.04 3gee n HIS 338 N -2.31 0.59 0.26 0.00 8.25 -0.66 -4.96 115.22 116.38 3gee n HIS 338 Ca 0.05 -3.73 0.12 0.00 -0.26 0.00 0.00 57.72 53.90 3gee n HIS 338 Cb 0.44 -0.40 0.68 0.00 1.12 0.00 0.00 29.99 31.83 3gee n HIS 338 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gee h PRO 339 N 3.73 0.00 -0.30 -0.41 0.13 -1.73 -2.52 132.00 130.91 3gee h PRO 339 Ca 0.10 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.11 3gee h PRO 339 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 3gee h PRO 339 CO 0.54 0.14 -0.32 0.00 -0.23 0.00 0.00 178.00 178.13 3gee h ALA 340 N 1.86 0.88 -2.30 -0.56 0.00 -1.93 -3.45 119.26 113.76 3gee h ALA 340 Ca -0.00 -0.40 -0.49 0.00 0.00 0.00 0.00 54.91 54.01 3gee h ALA 340 Cb 0.40 -0.12 0.16 0.00 0.00 0.00 0.00 17.79 18.22 3gee h ALA 340 CO 0.02 0.63 0.24 0.00 0.00 0.00 0.00 179.25 180.14 3gee s ALA 341 N -4.40 1.53 -0.20 0.00 0.00 -0.95 -5.01 121.76 112.73 3gee s ALA 341 Ca -0.08 0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.84 3gee s ALA 341 Cb 0.13 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3gee s ALA 341 CO 0.83 -2.40 0.36 0.21 0.00 0.00 0.00 175.76 174.76 3gee s LYS 342 N -4.84 4.18 -0.02 0.00 2.20 0.31 -4.96 119.74 116.59 3gee s LYS 342 Ca 0.64 0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 56.35 3gee s LYS 342 Cb -0.19 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 3gee s LYS 342 CO 0.58 0.01 0.21 0.12 -0.36 0.00 0.00 175.35 175.90 3gee s PHE 343 N 1.17 3.57 -0.24 4.03 2.19 -1.26 -0.05 117.98 127.38 3gee s PHE 343 Ca 0.18 0.46 -0.04 0.00 0.33 0.00 0.00 56.93 57.86 3gee s PHE 343 Cb -0.14 -1.90 0.13 0.00 -1.31 0.00 0.00 43.02 39.79 3gee s PHE 343 CO 0.07 0.65 0.44 -1.17 1.83 0.00 0.00 175.22 177.04 3gee s LEU 344 N -1.72 -0.79 -0.25 6.12 1.98 -0.65 -4.65 118.68 118.72 3gee s LEU 344 Ca 0.25 0.60 -0.21 0.00 -2.89 0.00 0.00 54.13 51.88 3gee s LEU 344 Cb -0.13 1.42 -0.02 0.00 0.66 0.00 0.00 46.19 48.12 3gee s LEU 344 CO 0.15 -0.27 0.67 -0.89 -1.89 0.00 0.00 176.35 174.12 3gee s THR 345 N 2.63 4.96 -0.41 3.68 2.01 0.41 -1.38 115.64 127.55 3gee s THR 345 Ca 0.10 1.22 -0.05 0.00 0.31 0.00 0.00 61.69 63.26 3gee s THR 345 Cb -0.14 -3.97 0.09 0.00 0.01 0.00 0.00 72.50 68.49 3gee s THR 345 CO -0.16 0.01 0.21 -0.69 -0.69 0.00 0.00 174.62 173.31 3gee s VAL 346 N 2.52 3.64 -0.51 3.82 1.01 0.22 -0.63 120.40 130.49 3gee s VAL 346 Ca 0.28 -1.75 -0.27 0.00 0.00 0.00 0.00 61.98 60.24 3gee s VAL 346 Cb -0.15 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3gee s VAL 346 CO 0.08 -0.58 1.06 0.00 0.00 0.00 0.00 175.10 175.67 3gee s ALA 347 N 1.27 3.14 0.51 5.51 0.00 0.13 -1.57 121.76 130.73 3gee s ALA 347 Ca 0.05 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 3gee s ALA 347 Cb -0.23 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.07 3gee s ALA 347 CO -0.02 -2.32 0.74 1.21 0.00 0.00 0.00 175.76 175.38 3gee s ASN 348 N 2.58 5.59 -0.71 0.00 2.47 0.70 0.07 114.94 125.62 3gee s ASN 348 Ca 0.41 0.24 -0.04 0.00 0.42 0.00 0.00 52.86 53.89 3gee s ASN 348 Cb -0.09 -1.32 0.00 0.00 -1.45 0.00 0.00 41.25 38.40 3gee s ASN 348 CO 0.27 -0.92 0.62 0.29 -3.72 0.00 0.00 177.10 173.64 3gee n LYS 349 N -2.25 -4.17 0.23 0.43 5.02 -0.26 0.85 118.16 118.02 3gee n LYS 349 Ca 0.04 0.44 0.15 0.00 -2.02 0.00 0.00 58.31 56.93 3gee n LYS 349 Cb 0.58 -4.31 0.50 0.00 -0.02 0.00 0.00 35.03 31.78 3gee n LYS 349 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3gee h LEU 350 N -1.39 0.00 -1.82 -0.35 5.85 -1.61 -3.26 115.31 112.73 3gee h LEU 350 Ca -0.31 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3gee h LEU 350 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 3gee h LEU 350 CO 0.29 0.00 -0.12 -2.24 -0.34 0.00 0.00 178.44 176.03 3gee h ASP 351 N 0.00 0.00 -2.02 1.25 3.04 -1.92 -3.42 116.42 113.34 3gee h ASP 351 Ca 0.00 0.00 -0.47 0.00 -3.24 0.00 0.00 57.03 53.32 3gee h ASP 351 Cb 0.65 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.92 3gee h ASP 351 CO 0.00 0.12 -0.43 0.00 -2.04 0.00 0.00 179.24 176.89 3gee s ARG 352 N -4.67 3.12 -0.49 4.15 3.03 -1.23 -4.79 118.95 118.07 3gee s ARG 352 Ca -0.04 -0.98 -0.18 0.00 2.03 0.00 0.00 55.73 56.56 3gee s ARG 352 Cb 0.16 -2.73 0.02 0.00 -1.03 0.00 0.00 34.95 31.37 3gee s ARG 352 CO 0.66 0.26 0.63 0.00 -1.13 0.00 0.00 175.30 175.73 3gee n ALA 353 N -1.42 -2.81 -2.47 7.88 0.00 -1.26 -4.88 120.51 115.56 3gee n ALA 353 Ca -0.05 0.82 -0.43 0.00 0.00 0.00 0.00 53.44 53.78 3gee n ALA 353 Cb 0.58 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.93 3gee n ALA 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gee n ALA 354 N -0.55 4.03 -0.46 0.00 0.00 -1.26 -3.61 120.51 118.66 3gee n ALA 354 Ca 0.05 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.55 3gee n ALA 354 Cb 0.52 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.48 3gee n ALA 354 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3gee n ASN 355 N 7.39 0.00 -0.65 0.00 6.94 -1.26 -5.03 115.26 122.65 3gee n ASN 355 Ca 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.03 3gee n ASN 355 Cb 0.44 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 3gee n ASN 355 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gee n ALA 356 N 0.00 2.01 -0.09 -2.53 0.00 -1.24 -3.69 120.51 114.97 3gee n ALA 356 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3gee n ALA 356 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3gee n ALA 356 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gee h ASP 357 N 0.47 0.41 0.02 0.00 3.45 -1.95 0.15 116.42 118.98 3gee h ASP 357 Ca 0.00 -0.21 -0.10 0.00 0.43 0.00 0.00 57.03 57.15 3gee h ASP 357 Cb 0.42 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 3gee h ASP 357 CO 0.00 0.52 -0.30 0.00 -1.57 0.00 0.00 179.24 177.89 3gee h ALA 358 N 0.91 1.10 -0.25 3.45 0.00 -2.00 -2.33 119.26 120.14 3gee h ALA 358 Ca 0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3gee h ALA 358 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gee h ALA 358 CO -0.00 0.56 -0.12 1.25 0.00 0.00 0.00 179.25 180.95 3gee h LEU 359 N 0.36 0.53 -0.26 0.00 6.46 -1.76 -1.68 115.31 118.96 3gee h LEU 359 Ca 0.05 -0.41 0.06 0.00 -0.12 0.00 0.00 57.88 57.46 3gee h LEU 359 Cb 0.71 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.44 3gee h LEU 359 CO 0.05 0.82 -0.12 0.40 -0.62 0.00 0.00 178.44 178.97 3gee h ILE 360 N 0.24 0.61 -0.07 4.05 2.04 -0.60 -1.42 117.51 122.36 3gee h ILE 360 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3gee h ILE 360 Cb 0.62 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3gee h ILE 360 CO 0.04 0.00 -0.11 -0.09 0.00 0.00 0.00 178.15 177.98 3gee h ARG 361 N -0.09 0.10 -0.34 2.37 2.43 -1.35 -0.58 114.38 116.92 3gee h ARG 361 Ca 0.14 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.12 3gee h ARG 361 Cb 0.30 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3gee h ARG 361 CO -0.32 0.22 -0.44 0.00 -1.51 0.00 0.00 179.97 177.92 3gee h ALA 362 N 1.79 0.51 -0.53 2.80 0.00 -0.58 0.75 119.26 124.00 3gee h ALA 362 Ca 0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3gee h ALA 362 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3gee h ALA 362 CO 0.02 0.65 0.00 0.82 0.00 0.00 0.00 179.25 180.74 3gee h ILE 363 N 0.69 1.25 0.50 0.00 2.04 -0.76 -0.71 117.51 120.52 3gee h ILE 363 Ca 0.04 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 3gee h ILE 363 Cb 1.04 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3gee h ILE 363 CO 0.10 0.38 -0.24 0.00 0.00 0.00 0.00 178.15 178.39 3gee h ALA 364 N 1.17 -0.67 -0.39 1.87 0.00 -0.94 -2.99 119.26 117.31 3gee h ALA 364 Ca 0.16 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3gee h ALA 364 Cb 0.49 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3gee h ALA 364 CO 0.02 -0.81 -0.08 -0.44 0.00 0.00 0.00 179.25 177.94 3gee h ASP 365 N -0.81 0.64 0.89 0.00 3.45 -0.82 0.18 116.42 119.95 3gee h ASP 365 Ca -0.07 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.22 3gee h ASP 365 Cb 0.57 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 3gee h ASP 365 CO 0.11 0.76 0.00 0.61 -1.57 0.00 0.00 179.24 179.15 3gee n GLY 366 N -0.59 -1.34 0.00 2.75 0.00 -0.28 -3.86 105.19 101.86 3gee n GLY 366 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3gee n GLY 366 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gee n THR 367 N -1.86 0.00 -1.12 2.61 -2.24 -1.07 -4.89 114.28 105.71 3gee n THR 367 Ca 0.04 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.78 3gee n THR 367 Cb 0.28 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3gee n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gee n GLY 368 N 1.90 0.65 4.01 3.38 0.00 0.62 -4.81 105.19 110.93 3gee n GLY 368 Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 3gee n GLY 368 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gee s THR 369 N -1.91 2.61 -0.09 2.61 -4.23 -1.23 -5.06 115.64 108.34 3gee s THR 369 Ca 0.00 -0.91 -0.17 0.00 -1.18 0.00 0.00 61.69 59.43 3gee s THR 369 Cb 0.00 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 3gee s THR 369 CO 0.00 0.00 0.44 -1.61 -0.54 0.00 0.00 174.62 172.91 3gee s GLU 370 N -4.59 4.24 -0.07 3.99 2.02 -1.26 -4.68 118.70 118.35 3gee s GLU 370 Ca 0.58 0.40 0.01 0.00 0.02 0.00 0.00 54.97 55.99 3gee s GLU 370 Cb -0.08 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 3gee s GLU 370 CO 0.37 0.30 -0.08 0.08 0.02 0.00 0.00 175.26 175.95 3gee s VAL 371 N 0.18 3.61 -0.06 2.63 1.01 -1.26 -0.44 120.40 126.07 3gee s VAL 371 Ca 0.24 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3gee s VAL 371 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.77 3gee s VAL 371 CO 0.10 0.60 -0.11 -0.63 0.00 0.00 0.00 175.10 175.06 3gee s ILE 372 N -0.78 1.06 0.02 2.22 1.01 0.20 -4.98 121.20 119.96 3gee s ILE 372 Ca 0.12 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 3gee s ILE 372 Cb -0.11 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 3gee s ILE 372 CO 0.01 0.34 1.21 -0.83 0.00 0.00 0.00 174.94 175.67 3gee s GLY 373 N 0.71 2.28 -0.01 6.18 0.00 -1.26 -0.70 107.32 114.51 3gee s GLY 373 Ca -0.14 0.77 0.01 0.00 0.00 0.00 0.00 44.72 45.36 3gee s GLY 373 CO 0.03 2.12 -0.02 -0.42 0.00 0.00 0.00 173.10 174.82 3gee s ILE 374 N 1.53 0.24 -0.47 0.90 -1.09 0.11 -4.54 121.20 117.87 3gee s ILE 374 Ca 0.58 -0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.92 3gee s ILE 374 Cb -0.28 -0.26 0.12 0.00 -1.58 0.00 0.00 42.46 40.47 3gee s ILE 374 CO 0.27 0.11 0.28 -0.55 -1.23 0.00 0.00 174.94 173.81 3gee s SER 375 N 0.40 5.30 0.50 3.58 0.15 -1.05 -1.10 113.70 121.48 3gee s SER 375 Ca -0.04 -2.22 0.28 0.00 0.70 0.00 0.00 55.95 54.66 3gee s SER 375 Cb -0.07 -1.85 1.31 0.00 -1.71 0.00 0.00 66.02 63.70 3gee s SER 375 CO -0.01 -0.52 1.99 0.00 1.20 0.00 0.00 173.24 175.91 3gee h ALA 376 N 7.84 1.14 0.00 5.45 0.00 -1.91 0.58 119.26 132.35 3gee h ALA 376 Ca -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3gee h ALA 376 Cb 1.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gee h ALA 376 CO 0.72 0.17 -0.04 1.25 0.00 0.00 0.00 179.25 181.35 3gee h LEU 377 N 0.00 0.00 -0.10 0.00 5.85 -1.93 -3.39 115.31 115.74 3gee h LEU 377 Ca -0.00 -0.66 -0.24 0.00 0.84 0.00 0.00 57.88 57.82 3gee h LEU 377 Cb 0.48 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.52 3gee h LEU 377 CO 0.02 0.85 -0.99 -1.13 -0.34 0.00 0.00 178.44 176.85 3gee h ASN 378 N -1.00 0.70 -1.53 1.25 -0.73 -1.98 -3.49 115.58 108.79 3gee h ASN 378 Ca -0.01 -0.56 0.00 0.00 1.87 0.00 0.00 56.30 57.60 3gee h ASN 378 Cb 0.68 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.06 3gee h ASN 378 CO -0.01 1.36 0.00 0.61 -0.37 0.00 0.00 177.43 179.02 3gee n GLY 379 N 1.00 0.91 3.15 1.57 0.00 0.20 -5.08 105.19 106.94 3gee n GLY 379 Ca -0.09 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 3gee n GLY 379 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gee s ASP 380 N -2.51 2.92 0.00 1.61 3.68 -1.01 -4.54 116.67 116.83 3gee s ASP 380 Ca 0.00 -0.55 0.00 0.00 2.13 0.00 0.00 52.55 54.13 3gee s ASP 380 Cb 0.00 -1.34 0.00 0.00 -1.45 0.00 0.00 42.92 40.13 3gee s ASP 380 CO 0.00 0.08 0.00 0.61 0.13 0.00 0.00 175.17 175.99 3gee n GLY 381 N 3.98 0.68 0.32 2.66 0.00 -1.26 -2.54 105.19 109.02 3gee n GLY 381 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 3gee n GLY 381 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gee h ILE 382 N 0.00 1.26 -0.75 -0.61 1.08 -1.86 0.31 117.51 116.93 3gee h ILE 382 Ca 0.00 -0.99 0.07 0.00 -0.39 0.00 0.00 64.86 63.55 3gee h ILE 382 Cb 0.02 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.35 3gee h ILE 382 CO 0.00 0.37 0.49 0.44 -0.69 0.00 0.00 178.15 178.77 3gee h ASP 383 N 0.99 0.69 0.07 1.72 3.32 -1.91 0.40 116.42 121.70 3gee h ASP 383 Ca 0.20 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.05 3gee h ASP 383 Cb 0.40 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3gee h ASP 383 CO 0.01 0.44 -0.76 0.74 -1.72 0.00 0.00 179.24 177.95 3gee h THR 384 N 0.78 1.33 -0.28 0.35 2.02 -1.75 -2.34 112.91 113.01 3gee h THR 384 Ca 0.33 -2.06 -0.04 0.00 0.77 0.00 0.00 66.41 65.41 3gee h THR 384 Cb 0.28 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 3gee h THR 384 CO -0.11 0.64 0.04 0.25 0.37 0.00 0.00 175.52 176.70 3gee h LEU 385 N 0.40 0.46 -0.82 2.58 5.85 -0.10 -2.52 115.31 121.17 3gee h LEU 385 Ca -0.04 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.42 3gee h LEU 385 Cb 1.36 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 3gee h LEU 385 CO 0.14 0.62 0.54 0.11 -0.34 0.00 0.00 178.44 179.51 3gee h LYS 386 N 0.29 1.06 -0.47 1.25 1.57 -0.27 -1.85 116.57 118.14 3gee h LYS 386 Ca 0.08 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3gee h LYS 386 Cb 0.36 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3gee h LYS 386 CO 0.01 0.70 0.04 0.37 -0.57 0.00 0.00 179.45 180.00 3gee h GLN 387 N 1.09 0.75 0.00 3.15 4.15 -1.36 -1.01 115.11 121.89 3gee h GLN 387 Ca 0.31 -0.18 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3gee h GLN 387 Cb -0.09 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3gee h GLN 387 CO -0.08 0.73 -0.35 0.45 -1.93 0.00 0.00 178.83 177.65 3gee h HIS 388 N 0.71 0.00 -0.07 3.99 3.86 -1.08 -2.98 115.15 119.58 3gee h HIS 388 Ca 0.15 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.17 3gee h HIS 388 Cb 0.37 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.86 3gee h HIS 388 CO 0.02 0.35 -0.69 0.52 0.86 0.00 0.00 177.93 178.99 3gee h MET 389 N 0.00 0.59 0.00 2.45 2.86 -0.48 -3.13 114.93 117.22 3gee h MET 389 Ca -0.00 -0.54 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 3gee h MET 389 Cb 0.72 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.51 3gee h MET 389 CO 0.05 1.16 0.00 0.41 1.06 0.00 0.00 176.91 179.59 3gee n GLY 390 N 0.86 -0.76 0.19 8.32 0.00 -0.47 -2.37 105.19 110.95 3gee n GLY 390 Ca -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.92 3gee n GLY 390 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gee h ASP 391 N 0.00 0.09 -0.23 1.61 3.32 -1.46 -3.30 116.42 116.44 3gee h ASP 391 Ca 0.00 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.05 3gee h ASP 391 Cb 0.13 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3gee h ASP 391 CO 0.00 0.49 0.01 0.25 -1.72 0.00 0.00 179.24 178.27 3gee h LEU 392 N 0.07 -0.06 -0.71 1.55 6.46 -1.65 -2.10 115.31 118.88 3gee h LEU 392 Ca 0.01 0.05 -0.13 0.00 -0.12 0.00 0.00 57.88 57.68 3gee h LEU 392 Cb 0.75 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 3gee h LEU 392 CO 0.06 0.00 -0.38 -0.37 -0.62 0.00 0.00 178.44 177.13 3gee h VAL 393 N 0.09 1.30 -0.65 1.05 -1.51 -1.80 -3.21 116.25 111.52 3gee h VAL 393 Ca 0.11 -1.53 -0.02 0.00 -1.23 0.00 0.00 66.70 64.03 3gee h VAL 393 Cb 0.13 1.52 -0.03 0.00 -2.13 0.00 0.00 31.29 30.77 3gee h VAL 393 CO -0.17 0.48 0.31 0.50 -1.23 0.00 0.00 177.57 177.47 3gee h LYS 394 N 0.46 0.93 -4.27 5.19 1.63 -1.55 -3.35 116.57 115.61 3gee h LYS 394 Ca 0.04 -0.14 -0.75 0.00 -0.85 0.00 0.00 60.65 58.96 3gee h LYS 394 Cb 0.87 -0.17 -0.23 0.00 -0.60 0.00 0.00 32.23 32.10 3gee h LYS 394 CO 0.07 0.74 0.29 -0.80 -3.45 0.00 0.00 179.45 176.31 3gee s ASN 395 N -6.05 6.63 0.00 4.20 -0.87 -0.82 -4.78 114.94 113.25 3gee s ASN 395 Ca -0.13 -2.33 0.00 0.00 -1.57 0.00 0.00 52.86 48.84 3gee s ASN 395 Cb 0.14 -2.27 0.00 0.00 -0.02 0.00 0.00 41.25 39.09 3gee s ASN 395 CO 0.79 -0.78 0.00 0.18 -2.57 0.00 0.00 177.10 174.72 3gee n LEU 396 N 5.02 0.00 0.00 0.60 4.77 -1.26 -4.88 117.00 121.25 3gee n LEU 396 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3gee n LEU 396 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3gee n LEU 396 CO 0.42 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.81 3gee n ASP 397 N -0.37 0.00 -2.48 -1.43 2.03 -1.26 -5.15 116.55 107.89 3gee n ASP 397 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 3gee n ASP 397 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 3gee n ASP 397 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3gee n LYS 398 N -0.38 -4.52 -0.81 -0.67 0.00 -1.26 -5.04 118.16 105.47 3gee n LYS 398 Ca 0.00 3.40 -0.30 0.00 0.00 0.00 0.00 58.31 61.41 3gee n LYS 398 Cb 0.00 -4.81 0.24 0.00 0.00 0.00 0.00 35.03 30.47 3gee n LYS 398 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gee s LEU 399 N -0.62 0.38 0.18 3.14 1.43 -1.26 -4.94 118.68 117.00 3gee s LEU 399 Ca -0.22 0.94 -0.33 0.00 -1.03 0.00 0.00 54.13 53.49 3gee s LEU 399 Cb 0.01 -2.70 -0.14 0.00 0.03 0.00 0.00 46.19 43.39 3gee s LEU 399 CO 0.60 -4.31 1.43 0.00 0.23 0.00 0.00 176.35 174.30 3gee n HIS 400 N -4.93 2.01 0.08 0.29 -0.00 -1.26 -4.80 115.22 106.61 3gee n HIS 400 Ca 0.09 0.43 0.04 0.00 -0.00 0.00 0.00 57.72 58.29 3gee n HIS 400 Cb 0.58 -2.45 0.22 0.00 -0.00 0.00 0.00 29.99 28.34 3gee n HIS 400 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 3gee n GLU 401 N 2.55 0.05 -0.32 -1.40 -0.00 -1.26 -1.14 120.64 119.12 3gee n GLU 401 Ca 0.15 0.49 -0.04 0.00 -0.00 0.00 0.00 57.16 57.76 3gee n GLU 401 Cb 0.28 -1.81 0.09 0.00 -0.00 0.00 0.00 31.44 29.99 3gee n GLU 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gee h ALA 402 N 1.54 1.11 -2.16 -1.84 0.00 -2.03 -3.41 119.26 112.47 3gee h ALA 402 Ca 0.00 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.28 3gee h ALA 402 Cb 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gee h ALA 402 CO 0.00 0.54 1.27 -1.12 0.00 0.00 0.00 179.25 179.94 3gee s SER 403 N -6.04 6.15 0.32 0.00 0.01 -0.29 -4.96 113.70 108.88 3gee s SER 403 Ca -0.13 2.14 -0.27 0.00 1.31 0.00 0.00 55.95 59.00 3gee s SER 403 Cb 0.16 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.78 3gee s SER 403 CO 0.80 -1.37 1.07 0.68 0.41 0.00 0.00 173.24 174.83 3gee s VAL 404 N 5.77 3.61 -0.17 3.43 -7.23 -1.26 -4.97 120.40 119.58 3gee s VAL 404 Ca 0.87 1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 62.21 3gee s VAL 404 Cb -0.35 -3.87 -0.00 0.00 0.56 0.00 0.00 36.38 32.72 3gee s VAL 404 CO 0.36 0.23 0.98 -0.76 -0.31 0.00 0.00 175.10 175.60 3gee s LEU 405 N -1.91 4.17 0.09 1.32 1.43 -1.26 -4.97 118.68 117.56 3gee s LEU 405 Ca 0.50 1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 54.69 3gee s LEU 405 Cb -0.28 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 3gee s LEU 405 CO 0.35 -0.52 0.98 0.54 0.23 0.00 0.00 176.35 177.93 3gee s VAL 406 N 2.50 4.53 0.44 -1.59 0.11 -1.26 -4.97 120.40 120.16 3gee s VAL 406 Ca 0.45 2.02 0.01 0.00 -2.93 0.00 0.00 61.98 61.52 3gee s VAL 406 Cb -0.17 -4.29 0.01 0.00 -1.53 0.00 0.00 36.38 30.40 3gee s VAL 406 CO 0.12 0.27 0.05 0.41 -3.33 0.00 0.00 175.10 172.62 3gee n THR 407 N 3.07 0.00 -1.64 5.04 -1.04 -1.26 -3.66 114.28 114.79 3gee n THR 407 Ca 0.03 -2.03 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 3gee n THR 407 Cb 0.49 0.34 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 3gee n THR 407 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3gee n SER 408 N -1.35 -6.25 -0.34 8.00 2.88 -1.26 -4.52 113.62 110.78 3gee n SER 408 Ca -0.16 0.97 0.13 0.00 -1.33 0.00 0.00 58.87 58.48 3gee n SER 408 Cb 0.55 -3.40 0.26 0.00 -0.75 0.00 0.00 64.21 60.86 3gee n SER 408 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3gee h LEU 409 N 2.47 -0.57 -0.47 2.46 5.85 -1.99 -1.97 115.31 121.09 3gee h LEU 409 Ca 0.00 0.28 0.10 0.00 0.84 0.00 0.00 57.88 59.10 3gee h LEU 409 Cb 0.00 0.51 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 3gee h LEU 409 CO 0.00 -0.35 -0.18 -0.09 -0.34 0.00 0.00 178.44 177.49 3gee h ARG 410 N 0.01 -0.07 -0.13 1.25 2.43 -2.00 0.29 114.38 116.16 3gee h ARG 410 Ca 0.57 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.74 3gee h ARG 410 Cb 1.12 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3gee h ARG 410 CO -0.94 -0.04 0.05 0.45 -1.51 0.00 0.00 179.97 177.97 3gee h HIS 411 N -0.07 0.20 -0.06 2.20 -0.00 -1.60 -2.46 115.15 113.37 3gee h HIS 411 Ca 0.23 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.61 3gee h HIS 411 Cb 0.42 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.71 3gee h HIS 411 CO -0.45 0.30 -0.48 -0.92 -0.00 0.00 0.00 177.93 176.37 3gee h TYR 412 N 0.04 -1.40 -0.87 2.45 3.20 -1.09 0.21 116.97 119.50 3gee h TYR 412 Ca 0.04 0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.03 3gee h TYR 412 Cb 0.19 0.62 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 3gee h TYR 412 CO -0.01 -0.53 0.57 0.93 -1.64 0.00 0.00 178.16 177.48 3gee h GLU 413 N -0.59 0.93 -0.42 1.82 5.08 -0.96 0.90 114.58 121.34 3gee h GLU 413 Ca 0.04 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3gee h GLU 413 Cb 0.68 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3gee h GLU 413 CO -0.38 0.61 -0.17 0.00 -1.00 0.00 0.00 179.01 178.07 3gee h ALA 414 N 1.53 0.58 -0.47 3.43 0.00 -0.89 0.48 119.26 123.93 3gee h ALA 414 Ca 0.38 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3gee h ALA 414 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3gee h ALA 414 CO -0.14 0.52 0.06 -0.07 0.00 0.00 0.00 179.25 179.62 3gee h LEU 415 N 0.67 0.68 0.38 0.00 3.38 0.67 0.18 115.31 121.28 3gee h LEU 415 Ca 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3gee h LEU 415 Cb 0.73 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3gee h LEU 415 CO 0.06 0.72 -0.18 0.03 0.09 0.00 0.00 178.44 179.15 3gee h ARG 416 N 0.70 -0.50 -0.80 1.13 3.08 -0.74 -1.27 114.38 115.97 3gee h ARG 416 Ca 0.15 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.40 3gee h ARG 416 Cb 0.34 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 3gee h ARG 416 CO 0.01 -0.25 0.54 -0.91 -1.07 0.00 0.00 179.97 178.28 3gee h ASN 417 N -0.66 0.39 0.01 7.04 2.35 -0.51 0.10 115.58 124.30 3gee h ASN 417 Ca -0.05 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3gee h ASN 417 Cb 0.48 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3gee h ASN 417 CO 0.09 0.19 -0.01 0.00 -1.65 0.00 0.00 177.43 176.05 3gee h ALA 418 N 1.63 -0.02 0.00 -0.83 0.00 -0.54 -2.54 119.26 116.96 3gee h ALA 418 Ca 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3gee h ALA 418 Cb 0.97 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gee h ALA 418 CO -0.13 -0.27 -0.08 0.66 0.00 0.00 0.00 179.25 179.43 3gee h SER 419 N -0.50 0.00 -0.07 0.00 4.64 -0.31 0.18 113.55 117.49 3gee h SER 419 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3gee h SER 419 Cb 0.49 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3gee h SER 419 CO 0.00 0.08 -0.43 0.44 -0.87 0.00 0.00 176.83 176.06 3gee h ASP 420 N 0.00 0.50 -0.42 4.97 3.45 -0.88 -0.81 116.42 123.23 3gee h ASP 420 Ca -0.00 -0.66 -0.05 0.00 0.43 0.00 0.00 57.03 56.75 3gee h ASP 420 Cb 0.55 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3gee h ASP 420 CO 0.01 1.09 0.10 0.00 -1.57 0.00 0.00 179.24 178.87 3gee h ALA 421 N 0.43 1.27 -0.66 3.45 0.00 -1.03 0.41 119.26 123.12 3gee h ALA 421 Ca -0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3gee h ALA 421 Cb 1.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3gee h ALA 421 CO 0.09 0.51 0.09 -0.07 0.00 0.00 0.00 179.25 179.87 3gee h LEU 422 N 0.72 1.07 -0.47 0.00 4.07 -0.65 -2.20 115.31 117.85 3gee h LEU 422 Ca 0.16 -0.27 -0.17 0.00 0.08 0.00 0.00 57.88 57.68 3gee h LEU 422 Cb 0.29 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 3gee h LEU 422 CO 0.00 1.07 -0.60 -0.61 -1.08 0.00 0.00 178.44 177.22 3gee h GLN 423 N 1.03 0.54 -0.92 1.13 4.15 -0.86 -0.23 115.11 119.96 3gee h GLN 423 Ca 0.20 -0.37 0.09 0.00 0.77 0.00 0.00 58.65 59.35 3gee h GLN 423 Cb 0.46 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.14 3gee h GLN 423 CO 0.02 0.98 0.59 -0.91 -1.93 0.00 0.00 178.83 177.58 3gee h ASN 424 N 0.40 0.85 0.25 -0.69 2.35 -0.78 1.14 115.58 119.10 3gee h ASN 424 Ca -0.00 0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 3gee h ASN 424 Cb 1.16 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 3gee h ASN 424 CO 0.11 0.50 -0.82 0.00 -1.65 0.00 0.00 177.43 175.58 3gee h ALA 425 N 1.54 0.47 0.08 -0.83 0.00 -1.21 -0.69 119.26 118.62 3gee h ALA 425 Ca 0.42 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gee h ALA 425 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gee h ALA 425 CO -0.18 0.78 -0.04 1.25 0.00 0.00 0.00 179.25 181.06 3gee h LEU 426 N 0.28 -0.09 0.00 0.00 5.85 0.45 -2.76 115.31 119.05 3gee h LEU 426 Ca -0.05 -0.44 -0.43 0.00 0.84 0.00 0.00 57.88 57.79 3gee h LEU 426 Cb 1.42 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 3gee h LEU 426 CO 0.14 0.58 -2.36 1.21 -0.34 0.00 0.00 178.44 177.67 3gee n GLU 427 N -4.80 0.59 -0.01 1.25 2.13 0.38 -3.73 120.64 116.44 3gee n GLU 427 Ca -0.06 0.31 -0.12 0.00 0.66 0.00 0.00 57.16 57.95 3gee n GLU 427 Cb 0.26 -1.53 -0.07 0.00 0.27 0.00 0.00 31.44 30.37 3gee n GLU 427 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3gee h LEU 428 N -0.98 0.11 0.02 4.31 6.46 -1.49 -3.38 115.31 120.36 3gee h LEU 428 Ca -0.65 -0.18 -0.25 0.00 -0.12 0.00 0.00 57.88 56.67 3gee h LEU 428 Cb 1.58 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.45 3gee h LEU 428 CO -0.39 0.26 -1.36 0.40 -0.62 0.00 0.00 178.44 176.73 3gee h ILE 429 N -0.04 0.88 -0.39 4.05 5.03 -1.27 -3.44 117.51 122.32 3gee h ILE 429 Ca 0.03 -2.21 -0.40 0.00 -0.12 0.00 0.00 64.86 62.16 3gee h ILE 429 Cb 0.19 2.27 -0.02 0.00 -3.03 0.00 0.00 36.82 36.23 3gee h ILE 429 CO -0.00 0.40 1.33 0.00 -0.68 0.00 0.00 178.15 179.20 3gee n ALA 430 N -3.35 2.14 0.08 1.87 0.00 -1.04 -3.02 120.51 117.19 3gee n ALA 430 Ca -0.32 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.02 3gee n ALA 430 Cb 0.74 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.68 3gee n ALA 430 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3gee n HIS 431 N 12.97 -3.16 -0.81 0.00 1.44 -1.26 -4.84 115.22 119.56 3gee n HIS 431 Ca 0.46 0.55 0.00 0.00 -2.01 0.00 0.00 57.72 56.72 3gee n HIS 431 Cb 0.45 1.68 0.00 0.00 0.12 0.00 0.00 29.99 32.25 3gee n HIS 431 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3gee n GLU 432 N -2.81 0.00 -1.30 -1.40 1.02 -1.24 -5.15 120.64 109.77 3gee n GLU 432 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3gee n GLU 432 Cb 0.00 -0.04 0.17 0.00 -0.02 0.00 0.00 31.44 31.55 3gee n GLU 432 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3gee s SER 433 N 0.00 2.70 1.18 1.62 0.15 -1.17 -5.03 113.70 113.15 3gee s SER 433 Ca 0.00 1.02 -0.16 0.00 0.70 0.00 0.00 55.95 57.51 3gee s SER 433 Cb 0.00 -1.59 0.27 0.00 -1.71 0.00 0.00 66.02 62.99 3gee s SER 433 CO 0.00 -3.06 1.05 -1.61 1.20 0.00 0.00 173.24 170.82 3gee s GLU 434 N -5.14 -1.01 0.00 5.44 2.02 -1.26 -4.99 118.70 113.76 3gee s GLU 434 Ca 0.66 0.37 0.18 0.00 0.02 0.00 0.00 54.97 56.20 3gee s GLU 434 Cb -0.16 -1.58 -0.00 0.00 0.10 0.00 0.00 34.13 32.49 3gee s GLU 434 CO 0.56 -3.67 0.95 -2.37 0.02 0.00 0.00 175.26 170.75 3gee n THR 435 N -4.81 0.00 -0.11 3.63 5.66 -1.26 -4.27 114.28 113.12 3gee n THR 435 Ca 0.08 -0.31 -0.12 0.00 -3.05 0.00 0.00 64.05 60.64 3gee n THR 435 Cb 0.58 1.22 -0.15 0.00 -1.55 0.00 0.00 70.33 70.43 3gee n THR 435 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 3gee n GLU 436 N -0.04 0.69 0.17 1.09 0.28 -1.26 -4.37 120.64 117.20 3gee n GLU 436 Ca 0.08 0.03 0.12 0.00 -0.16 0.00 0.00 57.16 57.23 3gee n GLU 436 Cb 0.39 -1.52 0.28 0.00 1.43 0.00 0.00 31.44 32.02 3gee n GLU 436 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3gee h LEU 437 N 0.00 0.00 -0.47 -1.84 3.38 -1.99 -3.22 115.31 111.18 3gee h LEU 437 Ca -0.56 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.24 3gee h LEU 437 Cb 2.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.90 3gee h LEU 437 CO -0.00 0.00 -0.62 -0.29 0.09 0.00 0.00 178.44 177.62 3gee h ILE 438 N 0.00 1.34 0.00 1.22 -0.00 -1.77 -3.01 117.51 115.29 3gee h ILE 438 Ca 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 64.86 62.94 3gee h ILE 438 Cb 0.88 1.90 0.00 0.00 -0.00 0.00 0.00 36.82 39.60 3gee h ILE 438 CO 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 178.15 178.74 3gee h ALA 439 N 0.94 1.00 -0.20 0.18 0.00 -1.75 -2.86 119.26 116.57 3gee h ALA 439 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3gee h ALA 439 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gee h ALA 439 CO 0.11 0.00 -0.46 0.35 0.00 0.00 0.00 179.25 179.26 3gee h PHE 440 N 0.00 0.84 -0.24 0.00 3.04 -1.60 -2.99 116.94 115.98 3gee h PHE 440 Ca 0.00 -0.32 -0.16 0.00 3.98 0.00 0.00 57.97 61.48 3gee h PHE 440 Cb 0.50 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 3gee h PHE 440 CO 0.00 1.09 -0.49 0.93 -2.02 0.00 0.00 178.31 177.82 3gee h GLU 441 N 0.35 0.67 -0.46 1.11 4.39 -1.52 -2.08 114.58 117.03 3gee h GLU 441 Ca -0.00 -0.39 -0.13 0.00 0.34 0.00 0.00 59.36 59.18 3gee h GLU 441 Cb 1.06 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 3gee h GLU 441 CO 0.10 1.01 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.68 3gee h LEU 442 N 0.53 0.99 -1.30 1.33 3.38 -1.61 -1.96 115.31 116.65 3gee h LEU 442 Ca 0.02 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3gee h LEU 442 Cb 1.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3gee h LEU 442 CO 0.10 1.16 -0.31 0.03 0.09 0.00 0.00 178.44 179.52 3gee h ARG 443 N 0.81 0.00 -0.38 1.13 3.08 -1.52 -2.48 114.38 115.02 3gee h ARG 443 Ca 0.11 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 3gee h ARG 443 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3gee h ARG 443 CO 0.06 0.31 -0.35 0.00 -1.07 0.00 0.00 179.97 178.92 3gee h ALA 444 N 1.69 0.65 -0.09 0.04 0.00 -0.99 -1.62 119.26 118.95 3gee h ALA 444 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3gee h ALA 444 Cb 0.67 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gee h ALA 444 CO 0.04 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.92 3gee h ALA 445 N 0.86 0.13 -0.28 0.00 0.00 -1.17 -1.39 119.26 117.42 3gee h ALA 445 Ca 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3gee h ALA 445 Cb 0.92 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3gee h ALA 445 CO 0.09 -0.10 0.14 1.25 0.00 0.00 0.00 179.25 180.62 3gee h LEU 446 N -0.17 0.33 -0.65 0.00 6.46 -1.51 0.24 115.31 120.01 3gee h LEU 446 Ca 0.02 -0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 3gee h LEU 446 Cb 0.50 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 3gee h LEU 446 CO 0.01 0.28 -0.21 -0.78 -0.62 0.00 0.00 178.44 177.13 3gee h ASP 447 N 0.38 0.84 0.00 1.25 1.82 -1.14 -2.08 116.42 117.49 3gee h ASP 447 Ca 0.10 -0.30 -0.15 0.00 -0.39 0.00 0.00 57.03 56.28 3gee h ASP 447 Cb 0.04 -0.23 0.01 0.00 0.68 0.00 0.00 39.33 39.83 3gee h ASP 447 CO -0.01 1.03 -0.59 1.88 -1.61 0.00 0.00 179.24 179.93 3gee h TYR 448 N 0.73 0.59 -0.66 0.28 0.05 -0.35 -2.43 116.97 115.18 3gee h TYR 448 Ca 0.10 -0.32 -0.04 0.00 0.05 0.00 0.00 58.73 58.52 3gee h TYR 448 Cb 0.74 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 3gee h TYR 448 CO 0.04 1.14 0.27 0.28 -1.05 0.00 0.00 178.16 178.84 3gee h VAL 449 N -0.13 1.23 0.00 -2.88 2.07 -1.06 -2.83 116.25 112.65 3gee h VAL 449 Ca -0.07 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 3gee h VAL 449 Cb 1.31 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3gee h VAL 449 CO 0.12 0.28 -0.47 1.23 0.02 0.00 0.00 177.57 178.75 3gee h GLY 450 N 1.03 0.00 1.90 2.17 0.00 -1.40 -3.16 103.07 103.61 3gee h GLY 450 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 3gee h GLY 450 CO -0.02 0.00 -0.20 1.46 0.00 0.00 0.00 176.54 177.78 3gee h GLN 451 N 0.00 0.12 0.00 4.80 4.20 -1.17 0.28 115.11 123.34 3gee h GLN 451 Ca -0.00 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 3gee h GLN 451 Cb 0.90 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3gee h GLN 451 CO 0.06 0.32 -0.36 -0.84 -0.67 0.00 0.00 178.83 177.34 3gee h ILE 452 N 0.11 0.79 -0.01 2.54 3.07 -1.60 -2.97 117.51 119.43 3gee h ILE 452 Ca 0.02 -1.57 0.00 0.00 1.55 0.00 0.00 64.86 64.86 3gee h ILE 452 Cb 0.43 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 3gee h ILE 452 CO 0.03 0.36 -0.55 0.35 -1.05 0.00 0.00 178.15 177.29 3gee n THR 453 N -3.42 0.00 -0.30 0.16 -2.24 -1.05 -4.02 114.28 103.40 3gee n THR 453 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3gee n THR 453 Cb 0.54 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 3gee n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gee n GLY 454 N 1.43 0.84 0.30 3.38 0.00 -0.79 -2.20 105.19 108.16 3gee n GLY 454 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 3gee n GLY 454 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gee h LYS 455 N 3.15 0.81 -4.33 1.61 1.79 -1.23 -3.28 116.57 115.10 3gee h LYS 455 Ca 0.00 -0.05 -0.73 0.00 -2.18 0.00 0.00 60.65 57.69 3gee h LYS 455 Cb 0.00 -0.18 -0.27 0.00 -1.58 0.00 0.00 32.23 30.20 3gee h LYS 455 CO 0.00 0.53 -0.39 0.08 -1.08 0.00 0.00 179.45 178.59 3gee s VAL 456 N -6.05 4.48 -0.01 0.50 1.01 -1.25 -5.00 120.40 114.10 3gee s VAL 456 Ca -0.12 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.04 3gee s VAL 456 Cb 0.19 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3gee s VAL 456 CO 0.78 -0.66 1.19 0.68 0.00 0.00 0.00 175.10 177.09 3gee s VAL 457 N 1.45 4.19 -0.71 2.92 -7.23 -1.24 -4.73 120.40 115.05 3gee s VAL 457 Ca 0.04 1.54 0.19 0.00 -1.81 0.00 0.00 61.98 61.95 3gee s VAL 457 Cb -0.25 -3.99 -0.23 0.00 0.56 0.00 0.00 36.38 32.47 3gee s VAL 457 CO 0.02 0.05 0.73 0.59 -0.31 0.00 0.00 175.10 176.18 3gee n ASN 458 N 4.64 0.81 -1.65 4.85 3.02 -1.26 -4.98 115.26 120.70 3gee n ASN 458 Ca 0.10 -0.74 -0.08 0.00 -0.03 0.00 0.00 54.58 53.83 3gee n ASN 458 Cb 0.46 1.20 -0.02 0.00 -0.61 0.00 0.00 39.78 40.81 3gee n ASN 458 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3gee n GLU 459 N -1.61 -1.62 0.00 3.52 2.13 -1.26 -4.23 120.64 117.57 3gee n GLU 459 Ca 0.02 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.28 3gee n GLU 459 Cb 0.35 -4.73 0.00 0.00 0.27 0.00 0.00 31.44 27.32 3gee n GLU 459 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3gee n GLU 460 N -1.92 0.00 -0.18 5.31 2.13 -1.26 -4.50 120.64 120.22 3gee n GLU 460 Ca -0.08 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.65 3gee n GLU 460 Cb 0.37 -0.34 0.01 0.00 0.27 0.00 0.00 31.44 31.75 3gee n GLU 460 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3gee h VAL 461 N 0.00 1.23 -0.61 6.31 2.07 -1.98 -2.77 116.25 120.50 3gee h VAL 461 Ca 0.00 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3gee h VAL 461 Cb 0.00 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3gee h VAL 461 CO 0.00 0.28 0.27 -0.07 0.02 0.00 0.00 177.57 178.06 3gee h LEU 462 N 0.70 0.82 -0.35 2.57 3.38 -1.87 -2.72 115.31 117.85 3gee h LEU 462 Ca 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3gee h LEU 462 Cb 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3gee h LEU 462 CO -0.01 0.75 0.16 0.78 0.09 0.00 0.00 178.44 180.21 3gee h ASN 463 N 0.84 0.47 0.28 -0.43 4.21 -1.78 0.39 115.58 119.56 3gee h ASN 463 Ca 0.21 -0.14 -0.05 0.00 1.21 0.00 0.00 56.30 57.52 3gee h ASN 463 Cb 0.17 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 3gee h ASN 463 CO -0.02 0.48 -0.22 0.71 -1.29 0.00 0.00 177.43 177.09 3gee h THR 464 N 0.42 1.04 -0.00 2.81 1.35 -1.47 -0.09 112.91 116.97 3gee h THR 464 Ca 0.12 -0.79 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 3gee h THR 464 Cb 0.15 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3gee h THR 464 CO -0.01 0.22 -0.06 0.40 -0.25 0.00 0.00 175.52 175.82 3gee h ILE 465 N 0.00 1.57 0.00 6.82 2.04 -1.10 -3.34 117.51 123.49 3gee h ILE 465 Ca -0.00 -1.76 -0.14 0.00 1.00 0.00 0.00 64.86 63.96 3gee h ILE 465 Cb 0.42 2.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 3gee h ILE 465 CO 0.03 0.46 -0.99 -0.26 0.00 0.00 0.00 178.15 177.39 3gee h PHE 466 N -0.66 0.00 0.00 1.37 0.04 -0.81 -3.09 116.94 113.79 3gee h PHE 466 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3gee h PHE 466 Cb 0.79 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 3gee h PHE 466 CO 0.18 0.57 -0.01 -0.44 -0.60 0.00 0.00 178.31 178.01 3gee h ASP 467 N 0.00 0.00 0.65 2.17 3.45 -1.20 -0.29 116.42 121.20 3gee h ASP 467 Ca -0.08 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 3gee h ASP 467 Cb 1.51 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.27 3gee h ASP 467 CO 0.06 0.01 -0.22 0.50 -1.57 0.00 0.00 179.24 178.01 3gee h LYS 468 N 0.00 0.00 -7.44 3.56 3.64 -1.66 -3.44 116.57 111.22 3gee h LYS 468 Ca -0.00 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.90 3gee h LYS 468 Cb 0.01 0.00 0.11 0.00 -0.41 0.00 0.00 32.23 31.94 3gee h LYS 468 CO 0.00 0.22 0.34 -0.06 -2.27 0.00 0.00 179.45 177.69 3gee s PHE 469 N -3.89 2.84 0.15 1.91 0.40 -0.12 -5.06 117.98 114.20 3gee s PHE 469 Ca -0.01 1.06 0.05 0.00 -0.60 0.00 0.00 56.93 57.43 3gee s PHE 469 Cb 0.12 -3.18 -0.04 0.00 0.51 0.00 0.00 43.02 40.43 3gee s PHE 469 CO 0.63 -1.80 0.11 0.00 0.70 0.00 0.00 175.22 174.86 3gee n ILE 471 N -0.18 0.57 0.00 0.00 5.41 -1.26 -2.28 119.36 121.63 3gee n ILE 471 Ca -0.09 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.56 3gee n ILE 471 Cb 0.54 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 3gee n ILE 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gee n GLY 472 N 4.36 1.34 0.20 7.39 0.00 -1.26 -4.79 105.19 112.43 3gee n GLY 472 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 3gee n GLY 472 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49