#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gei s ASP 5 N 0.00 6.16 -0.22 -3.46 1.11 -1.26 -4.97 116.67 114.04 3gei s ASP 5 Ca 0.00 0.01 0.17 0.00 0.18 0.00 0.00 52.55 52.91 3gei s ASP 5 Cb 0.00 -2.18 0.47 0.00 1.07 0.00 0.00 42.92 42.28 3gei s ASP 5 CO 0.00 -0.21 1.16 0.18 1.18 0.00 0.00 175.17 177.48 3gei n LEU 6 N 5.27 2.71 -3.79 1.23 4.77 -1.26 -5.01 117.00 120.93 3gei n LEU 6 Ca -0.10 -3.53 -0.27 0.00 -0.03 0.00 0.00 56.01 52.07 3gei n LEU 6 Cb 0.51 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3gei n LEU 6 CO 0.37 1.34 -0.14 1.41 -1.33 0.00 0.00 177.39 179.05 3gei n HIS 7 N -0.53 -1.81 -2.64 -1.77 8.25 -1.26 -4.92 115.22 110.54 3gei n HIS 7 Ca 0.20 0.63 -0.42 0.00 -0.26 0.00 0.00 57.72 57.88 3gei n HIS 7 Cb 0.90 -3.72 -0.03 0.00 1.12 0.00 0.00 29.99 28.25 3gei n HIS 7 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3gei s LEU 8 N -6.69 4.40 0.15 2.41 2.01 -1.26 -4.98 118.68 114.72 3gei s LEU 8 Ca 0.21 1.78 -0.34 0.00 0.01 0.00 0.00 54.13 55.80 3gei s LEU 8 Cb -0.07 -3.58 -0.14 0.00 0.01 0.00 0.00 46.19 42.41 3gei s LEU 8 CO 0.86 -0.27 1.59 -0.81 1.01 0.00 0.00 176.35 178.73 3gei n PRO 9 N 3.62 2.14 -1.59 1.29 -0.04 -1.26 -4.81 135.00 134.34 3gei n PRO 9 Ca 0.06 0.77 -0.47 0.00 -0.04 0.00 0.00 63.50 63.81 3gei n PRO 9 Cb 0.49 -2.54 -0.05 0.00 -0.04 0.00 0.00 33.50 31.36 3gei n PRO 9 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3gei n VAL 10 N 3.47 0.42 -2.43 0.52 0.24 -1.26 -4.91 118.33 114.37 3gei n VAL 10 Ca 0.17 -0.24 -0.39 0.00 -2.04 0.00 0.00 64.34 61.84 3gei n VAL 10 Cb 0.29 -2.01 -0.04 0.00 -1.47 0.00 0.00 33.84 30.61 3gei n VAL 10 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3gei s PRO 11 N 5.30 4.36 1.04 7.34 0.04 -1.26 -5.04 135.00 146.78 3gei s PRO 11 Ca 0.99 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 63.62 3gei s PRO 11 Cb -0.63 -2.89 0.22 0.00 0.04 0.00 0.00 34.50 31.24 3gei s PRO 11 CO 0.46 -0.03 1.20 0.20 0.04 0.00 0.00 177.00 178.88 3gei s GLY 12 N -1.11 1.66 0.28 0.56 0.00 -1.26 -4.56 107.32 102.90 3gei s GLY 12 Ca 0.51 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.97 3gei s GLY 12 CO 0.37 -0.19 1.36 1.57 0.00 0.00 0.00 173.10 176.21 3gei n HIS 13 N -4.15 2.21 -1.68 1.90 -0.00 -1.26 -1.98 115.22 110.27 3gei n HIS 13 Ca 0.13 0.48 -0.45 0.00 0.46 0.00 0.00 57.72 58.33 3gei n HIS 13 Cb 0.59 -2.44 -0.04 0.00 -0.12 0.00 0.00 29.99 27.98 3gei n HIS 13 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3gei n PRO 14 N 1.45 2.43 -4.43 1.57 -0.04 -1.26 -4.68 135.00 130.04 3gei n PRO 14 Ca 0.09 0.89 -0.25 0.00 -0.04 0.00 0.00 63.50 64.18 3gei n PRO 14 Cb 0.33 -2.74 -0.10 0.00 -0.04 0.00 0.00 33.50 30.95 3gei n PRO 14 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3gei s ILE 15 N 3.07 2.56 -0.01 0.52 -4.36 0.03 -1.45 121.20 121.55 3gei s ILE 15 Ca 0.86 -2.18 -0.03 0.00 -0.26 0.00 0.00 60.65 59.04 3gei s ILE 15 Cb -0.60 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 40.81 3gei s ILE 15 CO 0.44 -0.28 0.07 0.00 0.24 0.00 0.00 174.94 175.41 3gei s ALA 16 N -2.14 -0.17 0.10 2.27 0.00 -0.62 -1.94 121.76 119.26 3gei s ALA 16 Ca 0.26 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 3gei s ALA 16 Cb -0.06 -0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.11 3gei s ALA 16 CO 0.13 -0.10 0.69 0.00 0.00 0.00 0.00 175.76 176.49 3gei s ALA 17 N -0.55 -1.67 -0.24 0.00 0.00 -0.93 -1.28 121.76 117.08 3gei s ALA 17 Ca -0.06 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.31 3gei s ALA 17 Cb -0.04 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3gei s ALA 17 CO 0.00 -0.73 0.93 0.42 0.00 0.00 0.00 175.76 176.39 3gei s ILE 18 N -3.45 4.75 -0.22 0.00 1.01 -1.26 -1.27 121.20 120.76 3gei s ILE 18 Ca 0.02 1.77 0.22 0.00 0.00 0.00 0.00 60.65 62.65 3gei s ILE 18 Cb -0.01 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 3gei s ILE 18 CO -0.11 -0.14 1.03 0.00 0.00 0.00 0.00 174.94 175.73 3gei h ALA 19 N 7.60 0.54 -2.39 9.38 0.00 -0.95 -3.43 119.26 130.01 3gei h ALA 19 Ca -0.21 -0.14 -0.51 0.00 0.00 0.00 0.00 54.91 54.05 3gei h ALA 19 Cb 1.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3gei h ALA 19 CO 0.93 0.15 -0.24 0.95 0.00 0.00 0.00 179.25 181.03 3gei s THR 20 N -3.29 5.13 0.96 0.00 -4.23 -1.21 -4.96 115.64 108.04 3gei s THR 20 Ca -0.01 -0.32 -0.12 0.00 -1.18 0.00 0.00 61.69 60.06 3gei s THR 20 Cb 0.09 -3.78 0.08 0.00 1.34 0.00 0.00 72.50 70.23 3gei s THR 20 CO 0.79 -0.34 0.59 -2.65 -0.54 0.00 0.00 174.62 172.47 3gei n PRO 21 N -1.12 -0.48 -2.97 3.99 -0.02 -1.26 -4.92 135.00 128.22 3gei n PRO 21 Ca -0.04 -0.09 -0.40 0.00 -2.02 0.00 0.00 63.50 60.95 3gei n PRO 21 Cb 0.55 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 3gei n PRO 21 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gei s VAL 22 N -2.45 4.42 -3.80 -1.45 -7.23 -1.26 -4.95 120.40 103.68 3gei s VAL 22 Ca 0.60 1.72 0.00 0.00 -1.81 0.00 0.00 61.98 62.48 3gei s VAL 22 Cb -0.21 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.58 3gei s VAL 22 CO 0.65 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 176.54 3gei n GLY 23 N 1.73 0.84 3.87 2.32 0.00 -1.26 -5.09 105.19 107.59 3gei n GLY 23 Ca -0.05 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 3gei n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gei s VAL 24 N -1.44 5.15 0.08 1.61 -7.23 -1.26 -4.31 120.40 113.00 3gei s VAL 24 Ca 0.00 0.42 -0.27 0.00 -1.81 0.00 0.00 61.98 60.32 3gei s VAL 24 Cb 0.00 -3.63 0.09 0.00 0.56 0.00 0.00 36.38 33.41 3gei s VAL 24 CO 0.00 0.36 1.13 -0.83 -0.31 0.00 0.00 175.10 175.45 3gei s GLY 25 N -1.63 -0.24 0.17 2.32 0.00 -0.81 -5.05 107.32 102.09 3gei s GLY 25 Ca 0.30 0.26 -0.13 0.00 0.00 0.00 0.00 44.72 45.14 3gei s GLY 25 CO 0.16 0.97 1.80 0.00 0.00 0.00 0.00 173.10 176.03 3gei h ALA 26 N 2.00 0.71 -2.51 3.20 0.00 -1.97 -3.10 119.26 117.59 3gei h ALA 26 Ca -0.27 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.30 3gei h ALA 26 Cb 1.21 -0.22 -0.17 0.00 0.00 0.00 0.00 17.79 18.62 3gei h ALA 26 CO 0.29 0.20 -0.71 -0.51 0.00 0.00 0.00 179.25 178.52 3gei s LEU 27 N -10.02 2.44 0.03 0.00 1.43 -1.26 -1.69 118.68 109.62 3gei s LEU 27 Ca -0.13 -0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 52.06 3gei s LEU 27 Cb 0.12 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.16 3gei s LEU 27 CO 0.76 -0.36 0.02 0.00 0.23 0.00 0.00 176.35 177.00 3gei s ALA 28 N -2.94 0.10 -0.13 4.21 0.00 0.86 -4.36 121.76 119.51 3gei s ALA 28 Ca 0.07 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3gei s ALA 28 Cb 0.01 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3gei s ALA 28 CO -0.02 -0.25 -0.16 0.42 0.00 0.00 0.00 175.76 175.75 3gei s ILE 29 N -2.24 2.73 -0.18 0.00 1.01 -1.26 -0.09 121.20 121.18 3gei s ILE 29 Ca -0.08 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 3gei s ILE 29 Cb -0.04 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 3gei s ILE 29 CO -0.03 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.70 3gei s VAL 30 N 0.49 3.70 0.06 2.92 1.01 -0.57 -0.28 120.40 127.73 3gei s VAL 30 Ca -0.11 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.54 3gei s VAL 30 Cb -0.16 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3gei s VAL 30 CO 0.05 0.47 -0.23 0.00 0.00 0.00 0.00 175.10 175.38 3gei s ARG 31 N 0.74 1.53 0.03 2.72 1.70 -0.40 -1.20 118.95 124.07 3gei s ARG 31 Ca -0.02 -1.06 0.04 0.00 -0.47 0.00 0.00 55.73 54.23 3gei s ARG 31 Cb -0.15 -1.71 -0.02 0.00 -0.57 0.00 0.00 34.95 32.51 3gei s ARG 31 CO 0.02 0.43 -0.12 0.96 -1.08 0.00 0.00 175.30 175.51 3gei s ILE 32 N -0.85 0.96 -0.02 4.99 -4.36 -0.47 -2.18 121.20 119.27 3gei s ILE 32 Ca 0.10 -0.90 -0.16 0.00 -0.26 0.00 0.00 60.65 59.43 3gei s ILE 32 Cb -0.09 -0.88 0.03 0.00 1.25 0.00 0.00 42.46 42.76 3gei s ILE 32 CO 0.02 -0.01 0.33 -0.55 0.24 0.00 0.00 174.94 174.98 3gei s SER 33 N -1.03 -0.22 0.00 4.36 0.15 -0.82 -1.54 113.70 114.60 3gei s SER 33 Ca 0.00 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.80 3gei s SER 33 Cb -0.07 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 3gei s SER 33 CO 0.01 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.61 3gei n GLY 34 N 1.30 0.79 3.68 9.45 0.00 -1.02 -0.79 105.19 118.60 3gei n GLY 34 Ca -0.21 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 3gei n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gei s ALA 35 N -1.04 3.47 -1.43 4.61 0.00 -0.84 -3.97 121.76 122.56 3gei s ALA 35 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 3gei s ALA 35 Cb 0.00 -2.98 0.04 0.00 0.00 0.00 0.00 23.12 20.18 3gei s ALA 35 CO 0.00 -0.38 1.10 0.41 0.00 0.00 0.00 175.76 176.89 3gei n GLY 36 N 3.47 -0.53 0.15 0.00 0.00 -1.26 -4.57 105.19 102.45 3gei n GLY 36 Ca -0.01 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3gei n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gei h VAL 37 N -2.45 1.33 0.00 1.61 2.07 -1.85 -2.70 116.25 114.26 3gei h VAL 37 Ca -0.57 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 65.63 3gei h VAL 37 Cb 1.37 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3gei h VAL 37 CO 0.61 0.40 0.00 0.17 0.02 0.00 0.00 177.57 178.76 3gei h LEU 38 N 0.10 0.00 -0.70 2.57 8.10 -1.91 0.55 115.31 124.01 3gei h LEU 38 Ca 0.03 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.92 3gei h LEU 38 Cb 0.70 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.90 3gei h LEU 38 CO 0.04 0.00 -0.05 0.44 -4.11 0.00 0.00 178.44 174.77 3gei h ASP 39 N 0.00 0.94 -0.30 0.17 3.32 -1.92 -0.72 116.42 117.90 3gei h ASP 39 Ca 0.00 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.68 3gei h ASP 39 Cb 0.67 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3gei h ASP 39 CO 0.00 1.02 -0.18 0.25 -1.72 0.00 0.00 179.24 178.61 3gei h LEU 40 N 0.87 0.67 -0.80 1.55 6.46 -1.03 -3.07 115.31 119.96 3gei h LEU 40 Ca 0.15 -0.42 -0.02 0.00 -0.12 0.00 0.00 57.88 57.47 3gei h LEU 40 Cb 0.57 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 3gei h LEU 40 CO 0.03 0.95 0.44 0.00 -0.62 0.00 0.00 178.44 179.24 3gei h ALA 41 N 0.74 1.03 -0.42 1.25 0.00 -0.85 -2.07 119.26 118.93 3gei h ALA 41 Ca 0.06 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3gei h ALA 41 Cb 0.71 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3gei h ALA 41 CO 0.05 0.54 0.38 -0.44 0.00 0.00 0.00 179.25 179.78 3gei h ASP 42 N 1.11 0.00 0.54 0.00 3.32 -1.03 0.03 116.42 120.39 3gei h ASP 42 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3gei h ASP 42 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3gei h ASP 42 CO -0.04 0.00 -0.11 0.54 -1.72 0.00 0.00 179.24 177.90 3gei n ARG 43 N -3.98 0.42 0.00 3.56 1.74 -0.78 -3.90 116.66 113.72 3gei n ARG 43 Ca 0.07 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3gei n ARG 43 Cb 0.57 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 3gei n ARG 43 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3gei n VAL 44 N -1.19 0.00 -3.83 1.55 0.24 -0.52 -4.94 118.33 109.64 3gei n VAL 44 Ca 0.12 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.34 61.99 3gei n VAL 44 Cb 0.29 0.50 -0.10 0.00 -1.47 0.00 0.00 33.84 33.06 3gei n VAL 44 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3gei s PHE 45 N -1.40 3.26 -0.30 6.34 5.36 -0.12 0.11 117.98 131.25 3gei s PHE 45 Ca 0.00 0.08 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 3gei s PHE 45 Cb 0.00 -2.18 0.04 0.00 -0.34 0.00 0.00 43.02 40.54 3gei s PHE 45 CO 0.00 0.06 0.03 1.03 -1.46 0.00 0.00 175.22 174.88 3gei s ARG 46 N 0.79 2.68 0.31 10.12 0.52 -0.06 -4.76 118.95 128.54 3gei s ARG 46 Ca 0.05 -1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 53.86 3gei s ARG 46 Cb -0.13 -3.24 -0.10 0.00 0.52 0.00 0.00 34.95 32.00 3gei s ARG 46 CO 0.02 -0.55 1.26 0.21 0.02 0.00 0.00 175.30 176.26 3gei s LYS 47 N 1.35 4.42 0.04 3.54 2.20 -1.26 -2.08 119.74 127.94 3gei s LYS 47 Ca -0.02 2.11 -0.26 0.00 -0.36 0.00 0.00 55.97 57.44 3gei s LYS 47 Cb -0.19 -3.11 -0.17 0.00 -1.51 0.00 0.00 37.83 32.85 3gei s LYS 47 CO -0.00 -0.10 1.45 -0.24 -0.36 0.00 0.00 175.35 176.09 3gei h VAL 48 N 3.12 0.78 0.00 4.02 3.04 -1.94 -3.42 116.25 121.84 3gei h VAL 48 Ca -0.48 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 3gei h VAL 48 Cb 1.22 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 3gei h VAL 48 CO 0.67 0.08 0.00 1.41 -1.01 0.00 0.00 177.57 178.72 3gei n HIS 49 N -5.16 0.00 0.00 3.17 8.25 -1.26 -4.97 115.22 115.25 3gei n HIS 49 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3gei n HIS 49 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3gei n HIS 49 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gei n GLY 50 N 1.31 0.36 2.70 -1.41 0.00 -1.26 -5.07 105.19 101.82 3gei n GLY 50 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3gei n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gei n SER 51 N 0.00 -1.94 -4.55 1.61 3.41 -1.26 -4.85 113.62 106.04 3gei n SER 51 Ca 0.00 -2.68 -0.31 0.00 -0.26 0.00 0.00 58.87 55.61 3gei n SER 51 Cb 0.00 1.24 -0.04 0.00 -0.26 0.00 0.00 64.21 65.15 3gei n SER 51 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gei s GLY 52 N -1.12 -0.15 0.22 5.00 0.00 -1.26 -4.91 107.32 105.10 3gei s GLY 52 Ca 0.21 -0.67 -0.32 0.00 0.00 0.00 0.00 44.72 43.94 3gei s GLY 52 CO -0.08 3.77 1.49 0.28 0.00 0.00 0.00 173.10 178.56 3gei n LYS 53 N 9.01 2.16 0.11 2.90 4.76 -1.26 -4.88 118.16 130.97 3gei n LYS 53 Ca 0.33 0.77 0.03 0.00 -2.87 0.00 0.00 58.31 56.57 3gei n LYS 53 Cb 0.50 -2.48 0.40 0.00 -1.84 0.00 0.00 35.03 31.61 3gei n LYS 53 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3gei h LEU 54 N 4.86 0.24 -0.58 -0.35 5.85 -1.91 -2.70 115.31 120.71 3gei h LEU 54 Ca -0.45 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 3gei h LEU 54 Cb 1.26 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3gei h LEU 54 CO 0.81 0.37 0.06 0.00 -0.34 0.00 0.00 178.44 179.33 3gei h ALA 55 N 1.66 0.78 -0.37 1.25 0.00 -1.90 -2.86 119.26 117.82 3gei h ALA 55 Ca 0.05 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3gei h ALA 55 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3gei h ALA 55 CO 0.02 0.57 0.06 -0.85 0.00 0.00 0.00 179.25 179.05 3gei n GLU 56 N -4.27 3.02 -3.18 0.00 0.28 -1.02 -4.92 120.64 110.55 3gei n GLU 56 Ca 0.03 -1.81 -0.26 0.00 -0.16 0.00 0.00 57.16 54.95 3gei n GLU 56 Cb 0.30 -1.91 -0.02 0.00 1.43 0.00 0.00 31.44 31.25 3gei n GLU 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3gei s ALA 57 N -2.00 3.60 0.74 -1.84 0.00 -1.08 -4.97 121.76 116.20 3gei s ALA 57 Ca 0.32 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 3gei s ALA 57 Cb 0.25 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 21.10 3gei s ALA 57 CO 0.09 -0.00 1.09 0.00 0.00 0.00 0.00 175.76 176.93 3gei s ALA 58 N -2.33 2.61 0.59 0.00 0.00 -1.26 -5.03 121.76 116.33 3gei s ALA 58 Ca 0.43 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 3gei s ALA 58 Cb -0.10 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3gei s ALA 58 CO 0.36 -1.38 1.09 0.20 0.00 0.00 0.00 175.76 176.04 3gei s GLY 59 N -4.10 2.33 -1.48 0.00 0.00 -1.26 -3.84 107.32 98.97 3gei s GLY 59 Ca 0.59 0.60 -0.12 0.00 0.00 0.00 0.00 44.72 45.79 3gei s GLY 59 CO 0.53 0.94 1.03 -1.72 0.00 0.00 0.00 173.10 173.88 3gei n TYR 60 N -1.82 -2.44 -4.73 1.90 4.02 0.90 -4.97 117.16 110.02 3gei n TYR 60 Ca 0.10 0.93 -0.31 0.00 -0.01 0.00 0.00 57.90 58.62 3gei n TYR 60 Cb 0.52 -4.28 -0.17 0.00 -0.02 0.00 0.00 39.34 35.39 3gei n TYR 60 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3gei s THR 61 N -3.32 1.86 0.29 -0.72 -4.23 -1.24 -4.97 115.64 103.32 3gei s THR 61 Ca 0.61 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 60.11 3gei s THR 61 Cb -0.30 -1.65 -0.08 0.00 1.34 0.00 0.00 72.50 71.81 3gei s THR 61 CO 0.80 0.51 0.69 0.00 -0.54 0.00 0.00 174.62 176.08 3gei s ALA 62 N 0.75 3.39 -0.05 3.99 0.00 -1.26 -2.29 121.76 126.29 3gei s ALA 62 Ca -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 3gei s ALA 62 Cb -0.16 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.31 3gei s ALA 62 CO 0.01 0.38 0.01 -1.01 0.00 0.00 0.00 175.76 175.14 3gei s HIS 63 N -1.91 0.44 -0.07 0.00 3.76 0.49 -4.95 115.29 113.05 3gei s HIS 63 Ca 0.52 -0.04 -0.20 0.00 -0.15 0.00 0.00 55.06 55.20 3gei s HIS 63 Cb -0.11 -0.59 -0.05 0.00 1.11 0.00 0.00 32.58 32.95 3gei s HIS 63 CO 0.18 -0.22 0.55 0.12 -0.85 0.00 0.00 174.74 174.52 3gei s PHE 64 N 1.56 3.59 0.00 1.40 5.36 -1.26 -0.15 117.98 128.48 3gei s PHE 64 Ca -0.02 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 57.00 3gei s PHE 64 Cb -0.13 -2.60 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 3gei s PHE 64 CO -0.03 0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.38 3gei n GLY 65 N 2.90 1.29 3.12 13.12 0.00 -0.45 -3.46 105.19 121.72 3gei n GLY 65 Ca -0.06 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 3gei n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gei s ARG 66 N 1.56 0.82 -0.13 1.61 0.52 -0.89 -0.50 118.95 121.95 3gei s ARG 66 Ca 0.00 -0.75 -0.16 0.00 -0.52 0.00 0.00 55.73 54.30 3gei s ARG 66 Cb 0.00 -0.79 -0.04 0.00 0.52 0.00 0.00 34.95 34.63 3gei s ARG 66 CO 0.00 0.19 0.39 -0.51 0.02 0.00 0.00 175.30 175.39 3gei s LEU 67 N -1.23 4.28 -0.05 2.53 1.43 -0.53 -0.88 118.68 124.22 3gei s LEU 67 Ca -0.01 0.69 0.06 0.00 -1.03 0.00 0.00 54.13 53.85 3gei s LEU 67 Cb -0.08 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 3gei s LEU 67 CO 0.01 0.07 -0.25 -0.31 0.23 0.00 0.00 176.35 176.11 3gei s TYR 68 N 0.41 2.39 -1.03 0.29 1.51 0.12 -0.32 117.35 120.72 3gei s TYR 68 Ca 0.22 -0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 3gei s TYR 68 Cb -0.14 -1.56 0.30 0.00 -0.11 0.00 0.00 41.96 40.44 3gei s TYR 68 CO 0.08 -0.20 1.35 -3.47 -1.11 0.00 0.00 175.55 172.19 3gei n ASP 69 N 2.92 5.98 0.00 2.29 2.03 0.11 -4.68 116.55 125.20 3gei n ASP 69 Ca -0.17 -3.38 0.00 0.00 0.52 0.00 0.00 54.79 51.76 3gei n ASP 69 Cb 0.52 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 3gei n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gei n GLY 70 N 1.41 1.57 0.07 0.27 0.00 -1.26 -3.02 105.19 104.23 3gei n GLY 70 Ca 0.26 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3gei n GLY 70 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gei h GLU 71 N 0.00 0.03 -6.61 1.61 4.39 -2.02 -3.46 114.58 108.52 3gei h GLU 71 Ca 0.00 -0.06 -0.51 0.00 0.34 0.00 0.00 59.36 59.13 3gei h GLU 71 Cb 0.00 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3gei h GLU 71 CO 0.00 0.87 0.36 -2.00 -1.16 0.00 0.00 179.01 177.09 3gei s GLU 72 N -2.67 4.73 0.30 2.33 2.12 -1.17 -5.05 118.70 119.30 3gei s GLU 72 Ca -0.02 1.47 -0.27 0.00 0.36 0.00 0.00 54.97 56.51 3gei s GLU 72 Cb 0.09 -3.35 -0.10 0.00 0.26 0.00 0.00 34.13 31.03 3gei s GLU 72 CO 0.83 0.27 0.95 1.41 -0.54 0.00 0.00 175.26 178.18 3gei s MET 73 N -0.27 4.65 -0.19 4.30 -2.45 -1.26 -0.71 119.30 123.37 3gei s MET 73 Ca 0.46 1.37 -0.09 0.00 -1.25 0.00 0.00 55.69 56.19 3gei s MET 73 Cb -0.24 -2.92 -0.08 0.00 1.25 0.00 0.00 34.83 32.83 3gei s MET 73 CO 0.31 0.34 -0.24 0.28 1.05 0.00 0.00 175.02 176.76 3gei n VAL 74 N 0.80 1.03 -3.69 10.11 0.31 0.56 -4.85 118.33 122.60 3gei n VAL 74 Ca 0.01 -0.27 -0.02 0.00 -0.01 0.00 0.00 64.34 64.04 3gei n VAL 74 Cb 0.49 -1.70 -0.01 0.00 -0.91 0.00 0.00 33.84 31.71 3gei n VAL 74 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gei s ASP 75 N -6.62 -0.16 -0.26 4.52 2.15 -1.23 -4.97 116.67 110.11 3gei s ASP 75 Ca -0.26 -0.28 -0.12 0.00 0.43 0.00 0.00 52.55 52.32 3gei s ASP 75 Cb 0.10 0.37 -0.05 0.00 -0.30 0.00 0.00 42.92 43.04 3gei s ASP 75 CO 0.34 -0.68 0.25 -0.70 -0.17 0.00 0.00 175.17 174.21 3gei s GLU 76 N -2.99 4.02 0.15 4.34 2.12 -1.26 -1.46 118.70 123.63 3gei s GLU 76 Ca 0.12 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.32 3gei s GLU 76 Cb 0.00 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 3gei s GLU 76 CO -0.01 -0.13 -0.08 0.14 -0.54 0.00 0.00 175.26 174.65 3gei s VAL 77 N 1.61 1.06 -0.16 3.70 -7.23 0.35 -4.42 120.40 115.31 3gei s VAL 77 Ca 0.10 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.18 3gei s VAL 77 Cb -0.15 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 3gei s VAL 77 CO 0.09 -0.69 0.03 -0.63 -0.31 0.00 0.00 175.10 173.59 3gei s ILE 78 N -3.40 4.52 -0.22 -0.62 1.09 -0.68 -1.34 121.20 120.56 3gei s ILE 78 Ca 0.18 -0.14 -0.04 0.00 -1.10 0.00 0.00 60.65 59.56 3gei s ILE 78 Cb 0.04 -3.00 -0.01 0.00 -1.06 0.00 0.00 42.46 38.43 3gei s ILE 78 CO 0.01 0.50 -0.05 0.00 -0.10 0.00 0.00 174.94 175.30 3gei s ALA 79 N 0.13 2.79 -0.20 9.38 0.00 0.78 -1.09 121.76 133.55 3gei s ALA 79 Ca 0.03 -1.16 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 3gei s ALA 79 Cb -0.13 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 3gei s ALA 79 CO 0.01 -0.41 0.13 -1.17 0.00 0.00 0.00 175.76 174.32 3gei s LEU 80 N 1.44 4.19 -0.27 0.00 2.96 -0.88 -0.38 118.68 125.74 3gei s LEU 80 Ca 0.05 0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 3gei s LEU 80 Cb -0.14 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 3gei s LEU 80 CO -0.04 0.18 0.09 -0.69 -1.32 0.00 0.00 176.35 174.58 3gei s VAL 81 N 0.38 4.39 -0.12 1.68 1.01 -0.97 -2.20 120.40 124.56 3gei s VAL 81 Ca 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 3gei s VAL 81 Cb -0.11 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3gei s VAL 81 CO -0.02 0.26 0.03 -0.36 0.00 0.00 0.00 175.10 175.01 3gei s PHE 82 N 1.61 3.23 0.00 5.22 0.40 -0.22 -0.07 117.98 128.15 3gei s PHE 82 Ca 0.06 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 3gei s PHE 82 Cb -0.16 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.47 3gei s PHE 82 CO 0.04 0.36 0.00 -2.13 0.70 0.00 0.00 175.22 174.20 3gei n ARG 83 N 2.65 0.00 0.00 0.44 0.63 -1.25 -2.75 116.66 116.38 3gei n ARG 83 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 3gei n ARG 83 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 3gei n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gei n ALA 84 N -3.00 0.00 1.12 5.13 0.00 -1.26 -3.56 120.51 118.94 3gei n ALA 84 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3gei n ALA 84 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 3gei n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gei n PRO 85 N 0.00 1.94 -2.69 0.00 -0.04 -1.26 -4.18 135.00 128.77 3gei n PRO 85 Ca 0.00 -1.39 -0.43 0.00 -0.04 0.00 0.00 63.50 61.63 3gei n PRO 85 Cb 0.00 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 3gei n PRO 85 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gei n ARG 86 N 0.64 3.50 -3.71 0.54 1.74 -1.26 -4.26 116.66 113.84 3gei n ARG 86 Ca 0.17 -3.73 -0.04 0.00 -0.77 0.00 0.00 57.85 53.49 3gei n ARG 86 Cb 0.43 -2.98 -0.01 0.00 -1.02 0.00 0.00 32.46 28.88 3gei n ARG 86 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gei s SER 87 N 1.89 -0.19 0.17 0.55 1.04 -1.26 -3.76 113.70 112.15 3gei s SER 87 Ca 0.41 -0.33 -0.15 0.00 0.48 0.00 0.00 55.95 56.36 3gei s SER 87 Cb 0.03 0.45 0.14 0.00 0.10 0.00 0.00 66.02 66.73 3gei s SER 87 CO 0.00 -0.82 1.70 0.15 0.98 0.00 0.00 173.24 175.26 3gei h PHE 88 N 2.00 0.02 -0.15 5.02 3.57 -1.89 -1.88 116.94 123.63 3gei h PHE 88 Ca -0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.29 3gei h PHE 88 Cb 1.23 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3gei h PHE 88 CO 0.36 -0.07 0.00 0.25 -2.23 0.00 0.00 178.31 176.63 3gei n THR 89 N -5.18 0.18 -0.25 4.41 -2.24 -1.26 -4.40 114.28 105.54 3gei n THR 89 Ca 0.04 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3gei n THR 89 Cb 0.22 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3gei n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gei n ALA 90 N 0.40 0.00 -1.98 6.98 0.00 -0.71 -4.40 120.51 120.81 3gei n ALA 90 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 3gei n ALA 90 Cb 0.36 -0.72 0.05 0.00 0.00 0.00 0.00 19.45 19.14 3gei n ALA 90 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gei s GLU 91 N -0.48 2.36 0.14 0.00 2.02 -1.26 -4.06 118.70 117.42 3gei s GLU 91 Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.83 3gei s GLU 91 Cb 0.00 -2.45 -0.07 0.00 0.10 0.00 0.00 34.13 31.71 3gei s GLU 91 CO 0.00 -0.88 1.15 1.14 0.02 0.00 0.00 175.26 176.69 3gei s GLN 92 N -4.85 4.52 0.09 1.61 -2.07 -1.23 -4.68 119.66 113.06 3gei s GLN 92 Ca 0.59 1.76 -0.01 0.00 -1.82 0.00 0.00 55.36 55.88 3gei s GLN 92 Cb -0.09 -3.29 -0.04 0.00 -1.09 0.00 0.00 33.01 28.50 3gei s GLN 92 CO 0.40 -0.06 0.03 0.00 -1.32 0.00 0.00 175.29 174.34 3gei s MET 93 N 0.07 0.78 -0.01 9.60 0.23 -1.11 -2.44 119.30 126.42 3gei s MET 93 Ca 0.53 -1.32 0.01 0.00 -1.03 0.00 0.00 55.69 53.88 3gei s MET 93 Cb -0.30 0.23 0.00 0.00 -1.53 0.00 0.00 34.83 33.24 3gei s MET 93 CO 0.34 -0.20 -0.04 0.54 -2.03 0.00 0.00 175.02 173.63 3gei s VAL 94 N -3.98 0.38 -0.28 5.16 0.11 -0.59 -1.06 120.40 120.14 3gei s VAL 94 Ca 0.15 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.01 3gei s VAL 94 Cb 0.08 -0.35 0.04 0.00 -1.53 0.00 0.00 36.38 34.62 3gei s VAL 94 CO -0.04 0.12 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.21 3gei s GLU 95 N 0.07 2.52 -0.41 1.54 2.02 -0.94 -1.37 118.70 122.13 3gei s GLU 95 Ca -0.00 -1.19 -0.27 0.00 0.02 0.00 0.00 54.97 53.53 3gei s GLU 95 Cb -0.04 -3.10 0.02 0.00 0.10 0.00 0.00 34.13 31.11 3gei s GLU 95 CO -0.00 -0.55 0.99 -0.06 0.02 0.00 0.00 175.26 175.65 3gei s PHE 96 N 1.26 2.98 -0.24 1.61 0.08 -0.34 -2.07 117.98 121.26 3gei s PHE 96 Ca -0.04 0.69 -0.18 0.00 0.12 0.00 0.00 56.93 57.51 3gei s PHE 96 Cb -0.19 -3.92 -0.03 0.00 -0.57 0.00 0.00 43.02 38.31 3gei s PHE 96 CO -0.02 -1.00 0.52 -0.08 -0.10 0.00 0.00 175.22 174.54 3gei s THR 97 N 3.79 5.08 0.20 0.64 -1.32 -0.25 -1.51 115.64 122.27 3gei s THR 97 Ca 0.41 0.93 0.03 0.00 -1.21 0.00 0.00 61.69 61.84 3gei s THR 97 Cb -0.10 -3.84 -0.01 0.00 -1.51 0.00 0.00 72.50 67.04 3gei s THR 97 CO 0.23 0.12 0.10 0.00 -2.21 0.00 0.00 174.62 172.86 3gei s HIS 99 N -2.46 3.13 0.00 0.00 3.76 -1.26 -0.10 115.29 118.36 3gei s HIS 99 Ca 0.14 1.13 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 3gei s HIS 99 Cb 0.01 -3.72 0.00 0.00 1.11 0.00 0.00 32.58 29.98 3gei s HIS 99 CO 0.10 -2.28 1.31 0.41 -0.85 0.00 0.00 174.74 173.43 3gei n GLY 100 N 2.20 1.93 3.69 -2.22 0.00 -0.68 -4.30 105.19 105.81 3gei n GLY 100 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3gei n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gei s GLY 101 N 1.61 1.97 0.24 -0.02 0.00 -1.26 -1.92 107.32 107.94 3gei s GLY 101 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 3gei s GLY 101 CO 0.00 0.02 1.60 -2.55 0.00 0.00 0.00 173.10 172.17 3gei h PRO 102 N 6.49 -0.00 -0.43 2.90 0.11 -1.89 0.41 132.00 139.57 3gei h PRO 102 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3gei h PRO 102 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3gei h PRO 102 CO 0.71 -0.00 0.27 -0.39 -0.21 0.00 0.00 178.00 178.37 3gei h VAL 103 N -0.00 1.13 0.26 3.15 -1.51 -1.97 -0.88 116.25 116.43 3gei h VAL 103 Ca 0.37 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 65.55 3gei h VAL 103 Cb 0.57 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 3gei h VAL 103 CO -0.81 0.13 -0.13 0.58 -1.23 0.00 0.00 177.57 176.11 3gei h VAL 104 N 0.58 0.74 -0.86 7.19 2.07 -1.45 -1.56 116.25 122.95 3gei h VAL 104 Ca 0.16 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.96 3gei h VAL 104 Cb -0.02 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3gei h VAL 104 CO -0.03 0.14 0.57 1.62 0.02 0.00 0.00 177.57 179.89 3gei h VAL 105 N -0.78 1.18 -0.58 2.57 3.04 -0.32 0.14 116.25 121.50 3gei h VAL 105 Ca -0.04 -0.38 -0.02 0.00 -1.01 0.00 0.00 66.70 65.25 3gei h VAL 105 Cb 0.51 -0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 29.73 3gei h VAL 105 CO 0.06 0.20 0.28 1.23 -1.01 0.00 0.00 177.57 178.33 3gei h GLY 106 N 1.11 0.90 1.99 3.17 0.00 -1.15 -1.43 103.07 107.66 3gei h GLY 106 Ca 0.33 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 3gei h GLY 106 CO -0.09 0.42 -0.46 -0.09 0.00 0.00 0.00 176.54 176.33 3gei h ARG 107 N 0.79 0.01 -0.35 4.80 9.65 -0.21 -2.42 114.38 126.65 3gei h ARG 107 Ca 0.20 -0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.95 3gei h ARG 107 Cb 0.12 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3gei h ARG 107 CO -0.03 0.47 -0.28 0.28 2.80 0.00 0.00 179.97 183.21 3gei h VAL 108 N 0.01 1.29 -0.25 0.20 2.07 -0.42 -2.71 116.25 116.43 3gei h VAL 108 Ca -0.00 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 3gei h VAL 108 Cb 0.82 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3gei h VAL 108 CO 0.06 0.47 0.13 0.25 0.02 0.00 0.00 177.57 178.51 3gei h LEU 109 N 0.59 0.31 -1.56 2.57 5.85 -1.03 -2.64 115.31 119.40 3gei h LEU 109 Ca 0.06 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3gei h LEU 109 Cb 0.85 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3gei h LEU 109 CO 0.07 0.32 0.04 -0.09 -0.34 0.00 0.00 178.44 178.44 3gei h ARG 110 N 0.29 0.33 -0.85 1.25 2.43 -1.47 -0.78 114.38 115.57 3gei h ARG 110 Ca 0.09 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3gei h ARG 110 Cb 0.07 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3gei h ARG 110 CO -0.01 0.32 0.53 1.25 -1.51 0.00 0.00 179.97 180.55 3gei h LEU 111 N 0.32 1.01 -0.26 3.80 5.85 -1.14 0.46 115.31 125.35 3gei h LEU 111 Ca 0.08 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3gei h LEU 111 Cb 0.15 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3gei h LEU 111 CO -0.00 0.76 -0.15 0.24 -0.34 0.00 0.00 178.44 178.95 3gei h MET 112 N 1.16 0.56 -0.30 1.25 2.86 -1.13 -2.78 114.93 116.55 3gei h MET 112 Ca 0.31 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3gei h MET 112 Cb -0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3gei h MET 112 CO -0.06 0.82 0.10 -0.07 1.06 0.00 0.00 176.91 178.76 3gei h LEU 113 N 0.28 0.44 -1.54 1.22 3.38 -0.81 -2.24 115.31 116.04 3gei h LEU 113 Ca 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3gei h LEU 113 Cb 0.67 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3gei h LEU 113 CO 0.04 0.52 0.00 0.44 0.09 0.00 0.00 178.44 179.53 3gei h ASP 114 N 0.33 0.00 -0.48 -0.43 3.32 -0.14 -3.01 116.42 116.01 3gei h ASP 114 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3gei h ASP 114 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3gei h ASP 114 CO -0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3gei n ASN 115 N -2.67 4.06 0.00 6.45 3.02 -0.89 -4.93 115.26 120.30 3gei n ASN 115 Ca -0.00 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 3gei n ASN 115 Cb 0.18 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 3gei n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gei n GLY 116 N 0.60 1.22 3.75 7.41 0.00 -1.14 -4.98 105.19 112.06 3gei n GLY 116 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3gei n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gei s ARG 118 N -0.23 4.21 0.17 0.00 3.52 -0.53 -4.31 118.95 121.78 3gei s ARG 118 Ca 0.38 0.83 -0.31 0.00 -0.13 0.00 0.00 55.73 56.49 3gei s ARG 118 Cb -0.21 -2.83 -0.10 0.00 -1.56 0.00 0.00 34.95 30.25 3gei s ARG 118 CO 0.23 0.37 1.51 -1.17 -0.81 0.00 0.00 175.30 175.43 3gei s LEU 119 N -2.09 4.37 0.59 -0.88 2.96 -1.26 -1.59 118.68 120.78 3gei s LEU 119 Ca 0.44 2.56 -0.20 0.00 -0.22 0.00 0.00 54.13 56.71 3gei s LEU 119 Cb -0.16 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 3gei s LEU 119 CO 0.20 -0.77 1.32 0.00 -1.32 0.00 0.00 176.35 175.78 3gei s ALA 120 N 0.97 2.63 0.36 5.97 0.00 -0.41 -4.78 121.76 126.51 3gei s ALA 120 Ca 0.67 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.89 3gei s ALA 120 Cb -0.42 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 3gei s ALA 120 CO 0.33 -1.43 0.57 -1.21 0.00 0.00 0.00 175.76 174.02 3gei s GLU 121 N -3.12 3.41 -0.44 0.00 2.02 -1.26 -4.81 118.70 114.51 3gei s GLU 121 Ca 0.76 -0.37 -0.45 0.00 0.02 0.00 0.00 54.97 54.94 3gei s GLU 121 Cb -0.38 -2.65 -0.19 0.00 0.10 0.00 0.00 34.13 31.01 3gei s GLU 121 CO 0.43 0.08 1.68 -2.30 0.02 0.00 0.00 175.26 175.17 3gei n PRO 122 N -1.83 0.31 0.00 0.39 -0.02 -1.26 -1.15 135.00 131.43 3gei n PRO 122 Ca -0.04 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3gei n PRO 122 Cb 0.56 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3gei n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gei n GLY 123 N 4.32 2.13 0.29 -1.23 0.00 -1.22 -4.56 105.19 104.92 3gei n GLY 123 Ca 0.32 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.58 3gei n GLY 123 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gei n GLU 124 N -1.90 -0.06 0.23 1.61 2.13 -0.30 -0.15 120.64 122.21 3gei n GLU 124 Ca 0.00 1.26 -0.15 0.00 0.66 0.00 0.00 57.16 58.92 3gei n GLU 124 Cb 0.00 -2.19 -0.08 0.00 0.27 0.00 0.00 31.44 29.44 3gei n GLU 124 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 3gei h PHE 125 N 0.00 -0.50 -0.43 4.31 0.04 -1.90 -1.07 116.94 117.39 3gei h PHE 125 Ca 0.70 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 61.38 3gei h PHE 125 Cb 1.79 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 40.08 3gei h PHE 125 CO -0.12 -0.30 -0.09 1.15 -0.60 0.00 0.00 178.31 178.36 3gei h THR 126 N -0.56 1.25 -0.49 -1.55 2.02 -0.80 -2.21 112.91 110.57 3gei h THR 126 Ca -0.05 -1.12 0.04 0.00 0.77 0.00 0.00 66.41 66.05 3gei h THR 126 Cb 0.43 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3gei h THR 126 CO 0.09 0.38 0.24 -0.09 0.37 0.00 0.00 175.52 176.51 3gei h ARG 127 N 0.69 0.45 -0.09 6.66 2.43 -1.03 -1.59 114.38 121.90 3gei h ARG 127 Ca 0.12 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3gei h ARG 127 Cb 0.55 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3gei h ARG 127 CO 0.03 0.30 -0.16 0.00 -1.51 0.00 0.00 179.97 178.63 3gei h ARG 128 N 0.47 0.14 -0.38 0.20 3.08 -0.86 0.20 114.38 117.24 3gei h ARG 128 Ca 0.22 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3gei h ARG 128 Cb 0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3gei h ARG 128 CO -0.16 0.31 0.20 0.00 -1.07 0.00 0.00 179.97 179.25 3gei h ALA 129 N 1.71 0.49 -0.05 0.04 0.00 -0.75 -1.21 119.26 119.48 3gei h ALA 129 Ca 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3gei h ALA 129 Cb 0.37 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3gei h ALA 129 CO 0.02 0.02 -0.04 0.35 0.00 0.00 0.00 179.25 179.61 3gei h PHE 130 N 0.48 0.14 -0.43 0.00 3.57 -0.37 -2.34 116.94 117.98 3gei h PHE 130 Ca 0.13 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3gei h PHE 130 Cb 0.06 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3gei h PHE 130 CO -0.02 0.53 0.29 -0.07 -2.23 0.00 0.00 178.31 176.80 3gei h LEU 131 N -0.29 0.48 -1.02 0.59 4.07 -0.60 -1.37 115.31 117.16 3gei h LEU 131 Ca 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3gei h LEU 131 Cb 0.50 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3gei h LEU 131 CO 0.01 0.35 0.00 0.59 -1.08 0.00 0.00 178.44 178.31 3gei n ASN 132 N -4.47 1.57 0.00 -0.43 3.02 -0.46 -4.95 115.26 109.54 3gei n ASN 132 Ca 0.04 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 3gei n ASN 132 Cb 0.07 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3gei n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gei n GLY 133 N 1.16 0.50 0.17 7.41 0.00 -0.52 -4.91 105.19 109.00 3gei n GLY 133 Ca 0.18 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.81 3gei n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gei h ARG 134 N 0.72 0.00 -4.35 1.61 2.43 -1.65 -3.45 114.38 109.68 3gei h ARG 134 Ca 0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 3gei h ARG 134 Cb 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 29.32 3gei h ARG 134 CO 0.00 0.35 -0.73 -1.50 -1.51 0.00 0.00 179.97 176.59 3gei s ILE 135 N -3.10 0.40 0.54 1.20 1.10 -1.14 -5.02 121.20 115.18 3gei s ILE 135 Ca 0.04 -0.85 0.02 0.00 -0.51 0.00 0.00 60.65 59.35 3gei s ILE 135 Cb 0.07 -0.46 0.03 0.00 0.15 0.00 0.00 42.46 42.25 3gei s ILE 135 CO 0.71 -0.31 0.75 1.51 -2.11 0.00 0.00 174.94 175.50 3gei s ASP 136 N -1.24 5.32 0.47 4.50 1.47 -1.26 -4.19 116.67 121.74 3gei s ASP 136 Ca -0.09 -0.06 0.14 0.00 1.18 0.00 0.00 52.55 53.73 3gei s ASP 136 Cb -0.08 -0.85 1.10 0.00 -0.34 0.00 0.00 42.92 42.75 3gei s ASP 136 CO -0.00 -1.10 2.06 0.25 0.68 0.00 0.00 175.17 177.06 3gei h LEU 137 N 0.13 0.04 -0.21 2.11 5.85 -1.83 0.07 115.31 121.47 3gei h LEU 137 Ca -0.42 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 3gei h LEU 137 Cb 1.29 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3gei h LEU 137 CO 0.51 0.12 0.01 -0.07 -0.34 0.00 0.00 178.44 178.68 3gei h LEU 138 N 0.05 0.35 -0.65 2.25 3.38 -1.82 -1.39 115.31 117.48 3gei h LEU 138 Ca 0.01 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 3gei h LEU 138 Cb 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3gei h LEU 138 CO 0.01 0.56 0.01 1.56 0.09 0.00 0.00 178.44 180.67 3gei h GLN 139 N 0.13 1.07 -0.18 1.13 4.20 -1.53 0.17 115.11 120.10 3gei h GLN 139 Ca 0.06 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 3gei h GLN 139 Cb 0.37 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3gei h GLN 139 CO 0.01 1.03 -0.07 0.00 -0.67 0.00 0.00 178.83 179.13 3gei h ALA 140 N 1.02 1.56 -0.20 3.87 0.00 -0.99 -1.49 119.26 123.03 3gei h ALA 140 Ca 0.17 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 3gei h ALA 140 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gei h ALA 140 CO 0.03 0.32 -0.66 0.93 0.00 0.00 0.00 179.25 179.87 3gei h GLU 141 N 0.26 0.75 -0.53 0.00 5.08 -0.66 -3.30 114.58 116.18 3gei h GLU 141 Ca 0.06 -0.54 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 3gei h GLU 141 Cb 0.29 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3gei h GLU 141 CO 0.01 1.16 0.10 0.00 -1.00 0.00 0.00 179.01 179.28 3gei h ALA 142 N 0.70 1.18 0.03 3.43 0.00 -0.34 -1.99 119.26 122.27 3gei h ALA 142 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3gei h ALA 142 Cb 1.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3gei h ALA 142 CO 0.14 0.55 -0.09 0.82 0.00 0.00 0.00 179.25 180.67 3gei h ILE 143 N 0.79 0.78 -0.77 0.00 2.04 -1.37 0.97 117.51 119.95 3gei h ILE 143 Ca 0.17 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 3gei h ILE 143 Cb 0.34 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3gei h ILE 143 CO 0.00 0.00 0.37 1.23 0.00 0.00 0.00 178.15 179.75 3gei h GLY 144 N -0.17 1.18 1.26 5.37 0.00 -1.61 -2.59 103.07 106.51 3gei h GLY 144 Ca 0.03 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 3gei h GLY 144 CO -0.07 0.54 -0.03 0.83 0.00 0.00 0.00 176.54 177.81 3gei h GLU 145 N 1.09 0.89 -0.50 4.80 5.08 -0.99 -2.35 114.58 122.60 3gei h GLU 145 Ca 0.27 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3gei h GLU 145 Cb 0.11 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3gei h GLU 145 CO -0.03 0.91 -0.07 1.98 -1.00 0.00 0.00 179.01 180.80 3gei h MET 146 N 0.82 0.94 0.21 2.33 4.05 -0.55 -0.18 114.93 122.53 3gei h MET 146 Ca 0.15 -0.33 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 3gei h MET 146 Cb 0.53 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 3gei h MET 146 CO 0.03 0.99 -0.10 0.82 0.23 0.00 0.00 176.91 178.88 3gei h ILE 147 N 0.80 0.86 -0.00 1.77 2.04 -1.39 -3.21 117.51 118.37 3gei h ILE 147 Ca 0.13 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3gei h ILE 147 Cb 0.61 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3gei h ILE 147 CO 0.04 0.08 -0.05 1.41 0.00 0.00 0.00 178.15 179.62 3gei n HIS 148 N -5.14 0.00 -1.51 1.37 8.25 -0.89 -4.92 115.22 112.38 3gei n HIS 148 Ca -0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.99 3gei n HIS 148 Cb 0.19 -0.25 0.04 0.00 1.12 0.00 0.00 29.99 31.10 3gei n HIS 148 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gei n ALA 149 N -1.17 -0.71 -0.75 -1.41 0.00 -0.08 -4.96 120.51 111.43 3gei n ALA 149 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3gei n ALA 149 Cb 0.26 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3gei n ALA 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gei n ARG 150 N -0.44 0.81 -4.03 0.00 1.74 -1.26 -4.95 116.66 108.52 3gei n ARG 150 Ca 0.12 -0.78 -0.08 0.00 -0.77 0.00 0.00 57.85 56.34 3gei n ARG 150 Cb 0.48 -0.64 -0.11 0.00 -1.02 0.00 0.00 32.46 31.17 3gei n ARG 150 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gei s THR 151 N -0.28 0.16 0.15 0.55 2.01 -1.26 -5.01 115.64 111.96 3gei s THR 151 Ca 0.00 -1.34 -0.17 0.00 0.31 0.00 0.00 61.69 60.49 3gei s THR 151 Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.64 3gei s THR 151 CO 0.00 -0.74 1.75 -0.08 -0.69 0.00 0.00 174.62 174.86 3gei h GLU 152 N 3.92 0.24 -0.01 4.92 4.57 -1.99 -0.33 114.58 125.91 3gei h GLU 152 Ca -0.33 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.84 3gei h GLU 152 Cb 1.18 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3gei h GLU 152 CO 0.53 0.16 0.00 0.66 -1.18 0.00 0.00 179.01 179.18 3gei h SER 153 N 0.25 0.01 -0.28 1.04 4.64 -1.96 0.31 113.55 117.56 3gei h SER 153 Ca 0.14 -0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 3gei h SER 153 Cb 0.11 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 3gei h SER 153 CO -0.15 0.11 -0.09 0.00 -0.87 0.00 0.00 176.83 175.84 3gei h ALA 154 N 0.89 0.16 -0.15 5.18 0.00 -1.70 0.05 119.26 123.71 3gei h ALA 154 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gei h ALA 154 Cb 0.11 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3gei h ALA 154 CO -0.00 -0.48 0.05 -0.92 0.00 0.00 0.00 179.25 177.90 3gei h TYR 155 N -0.03 0.09 -0.85 0.00 3.20 -1.01 -2.41 116.97 115.96 3gei h TYR 155 Ca 0.14 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3gei h TYR 155 Cb 0.24 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3gei h TYR 155 CO -0.29 0.05 0.54 0.00 -1.64 0.00 0.00 178.16 176.82 3gei h ARG 156 N 0.12 1.13 -0.40 1.82 2.47 -0.33 -1.78 114.38 117.41 3gei h ARG 156 Ca 0.06 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 58.59 3gei h ARG 156 Cb 0.03 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.09 3gei h ARG 156 CO -0.06 0.76 -0.18 1.15 0.56 0.00 0.00 179.97 182.20 3gei h THR 157 N 1.16 1.28 -0.87 2.04 2.02 -0.92 -2.16 112.91 115.46 3gei h THR 157 Ca 0.31 -1.31 0.03 0.00 0.77 0.00 0.00 66.41 66.21 3gei h THR 157 Cb -0.10 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 3gei h THR 157 CO -0.06 0.44 0.56 0.00 0.37 0.00 0.00 175.52 176.83 3gei h ALA 158 N 0.82 1.14 0.01 6.16 0.00 -1.04 -1.64 119.26 124.71 3gei h ALA 158 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gei h ALA 158 Cb 0.73 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gei h ALA 158 CO 0.06 0.42 -0.01 0.28 0.00 0.00 0.00 179.25 180.00 3gei h VAL 159 N 1.10 0.99 -1.00 0.00 2.07 -1.13 0.24 116.25 118.52 3gei h VAL 159 Ca 0.34 -0.02 0.14 0.00 0.82 0.00 0.00 66.70 67.98 3gei h VAL 159 Cb -0.01 1.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 3gei h VAL 159 CO -0.11 0.00 0.62 -1.28 0.02 0.00 0.00 177.57 176.83 3gei h SER 160 N -0.02 0.89 0.68 0.57 0.87 -1.08 -0.81 113.55 114.65 3gei h SER 160 Ca -0.00 0.06 -0.27 0.00 -1.23 0.00 0.00 61.79 60.35 3gei h SER 160 Cb 0.02 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3gei h SER 160 CO 0.00 0.44 -1.23 -0.61 -0.53 0.00 0.00 176.83 174.90 3gei h GLN 161 N 0.94 0.22 -0.02 2.24 4.15 -0.93 -1.37 115.11 120.32 3gei h GLN 161 Ca 0.51 -0.37 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 3gei h GLN 161 Cb 0.58 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 3gei h GLN 161 CO -0.29 1.16 -0.45 1.98 -1.93 0.00 0.00 178.83 179.30 3gei h MET 162 N 0.06 0.05 -0.45 1.69 4.05 -0.10 -0.40 114.93 119.83 3gei h MET 162 Ca -0.12 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.23 3gei h MET 162 Cb 1.94 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.72 3gei h MET 162 CO 0.19 0.49 0.09 0.87 0.23 0.00 0.00 176.91 178.78 3gei h LYS 163 N 0.05 0.68 -0.00 0.39 1.57 -1.18 -3.47 116.57 114.60 3gei h LYS 163 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3gei h LYS 163 Cb 0.81 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3gei h LYS 163 CO 0.06 0.63 0.00 0.41 -0.57 0.00 0.00 179.45 179.99 3gei n GLY 164 N -0.92 1.84 0.16 3.86 0.00 -0.16 -5.01 105.19 104.95 3gei n GLY 164 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3gei n GLY 164 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gei h ASP 165 N 0.00 0.40 -0.80 1.61 3.32 -1.43 0.12 116.42 119.63 3gei h ASP 165 Ca 0.00 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3gei h ASP 165 Cb 0.04 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3gei h ASP 165 CO 0.00 0.30 0.32 0.25 -1.72 0.00 0.00 179.24 178.39 3gei h LEU 166 N 0.46 1.10 -0.72 1.55 6.46 -1.87 -2.87 115.31 119.42 3gei h LEU 166 Ca 0.12 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 3gei h LEU 166 Cb -0.04 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.57 3gei h LEU 166 CO -0.03 0.97 0.40 0.28 -0.62 0.00 0.00 178.44 179.45 3gei h SER 167 N 1.16 0.89 -0.14 1.25 0.02 -1.65 0.11 113.55 115.19 3gei h SER 167 Ca 0.27 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3gei h SER 167 Cb 0.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3gei h SER 167 CO -0.02 0.72 -0.28 0.58 -1.14 0.00 0.00 176.83 176.69 3gei h VAL 168 N 0.99 1.28 -0.52 2.27 2.07 -1.04 -0.99 116.25 120.31 3gei h VAL 168 Ca 0.25 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3gei h VAL 168 Cb 0.02 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3gei h VAL 168 CO -0.04 0.45 0.13 -0.09 0.02 0.00 0.00 177.57 178.03 3gei h ARG 169 N 0.53 0.79 0.01 1.57 9.65 -1.13 -2.34 114.38 123.47 3gei h ARG 169 Ca 0.07 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3gei h ARG 169 Cb 0.76 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3gei h ARG 169 CO 0.06 0.71 -0.00 -0.07 2.80 0.00 0.00 179.97 183.47 3gei h LEU 170 N 0.77 -0.01 -1.72 3.80 3.38 -0.64 -3.16 115.31 117.73 3gei h LEU 170 Ca 0.17 -0.80 0.10 0.00 0.09 0.00 0.00 57.88 57.44 3gei h LEU 170 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3gei h LEU 170 CO -0.00 0.82 0.55 1.23 0.09 0.00 0.00 178.44 181.12 3gei h GLY 171 N -0.86 0.00 0.91 0.83 0.00 -1.19 0.65 103.07 103.42 3gei h GLY 171 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3gei h GLY 171 CO 0.00 0.00 -0.26 -1.33 0.00 0.00 0.00 176.54 174.96 3gei h GLY 172 N 0.00 0.66 1.39 4.60 0.00 -1.40 -2.63 103.07 105.70 3gei h GLY 172 Ca 0.16 -0.69 -0.20 0.00 0.00 0.00 0.00 47.33 46.60 3gei h GLY 172 CO -0.00 0.62 -0.75 1.41 0.00 0.00 0.00 176.54 177.82 3gei h LEU 173 N 0.32 0.71 -0.43 3.11 3.38 0.08 -2.66 115.31 119.81 3gei h LEU 173 Ca 0.04 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.63 3gei h LEU 173 Cb 0.82 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 3gei h LEU 173 CO 0.06 1.23 0.01 0.03 0.09 0.00 0.00 178.44 179.86 3gei h ARG 174 N 0.41 0.12 0.00 1.13 3.08 -0.27 0.19 114.38 119.03 3gei h ARG 174 Ca -0.04 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3gei h ARG 174 Cb 1.35 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 3gei h ARG 174 CO 0.14 0.08 -0.23 1.05 -1.07 0.00 0.00 179.97 179.94 3gei h GLU 175 N 0.12 0.00 -0.24 0.04 4.11 -1.52 -1.55 114.58 115.54 3gei h GLU 175 Ca 0.22 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.51 3gei h GLU 175 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3gei h GLU 175 CO -0.35 0.23 -0.39 1.96 0.07 0.00 0.00 179.01 180.53 3gei h GLN 176 N 0.00 0.69 -0.38 1.06 4.20 -0.97 -2.04 115.11 117.67 3gei h GLN 176 Ca -0.00 -0.42 -0.04 0.00 0.06 0.00 0.00 58.65 58.24 3gei h GLN 176 Cb 1.04 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 3gei h GLN 176 CO 0.03 1.04 0.06 -0.07 -0.67 0.00 0.00 178.83 179.22 3gei h LEU 177 N 0.41 0.60 -1.08 1.46 3.38 -0.61 -0.10 115.31 119.37 3gei h LEU 177 Ca 0.02 -0.26 0.13 0.00 0.09 0.00 0.00 57.88 57.86 3gei h LEU 177 Cb 0.99 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 3gei h LEU 177 CO 0.09 0.70 0.62 0.40 0.09 0.00 0.00 178.44 180.34 3gei h ILE 178 N 0.47 0.87 -0.14 1.22 1.08 -1.29 1.22 117.51 120.94 3gei h ILE 178 Ca 0.11 -0.31 -0.14 0.00 -0.39 0.00 0.00 64.86 64.14 3gei h ILE 178 Cb 0.36 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.01 3gei h ILE 178 CO 0.01 0.16 -0.45 -0.09 -0.69 0.00 0.00 178.15 177.09 3gei h ARG 179 N 0.90 0.55 -0.12 2.37 2.43 -1.13 -2.27 114.38 117.11 3gei h ARG 179 Ca 0.50 -0.41 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 3gei h ARG 179 Cb 0.60 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3gei h ARG 179 CO -0.27 1.03 -0.63 1.03 -1.51 0.00 0.00 179.97 179.62 3gei h SER 180 N 0.19 0.51 -0.11 -3.80 0.87 -0.41 -3.00 113.55 107.80 3gei h SER 180 Ca -0.02 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 3gei h SER 180 Cb 1.07 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 3gei h SER 180 CO 0.10 1.01 0.03 0.00 -0.53 0.00 0.00 176.83 177.44 3gei n ALA 182 N -2.24 1.75 -0.03 0.00 0.00 -0.85 -2.37 120.51 116.76 3gei n ALA 182 Ca -0.06 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 3gei n ALA 182 Cb 0.15 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 3gei n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gei h LEU 183 N 0.00 0.15 -0.44 0.00 6.46 -1.42 -2.99 115.31 117.07 3gei h LEU 183 Ca 0.00 -0.72 -0.17 0.00 -0.12 0.00 0.00 57.88 56.87 3gei h LEU 183 Cb 0.29 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3gei h LEU 183 CO 0.00 0.85 -0.57 0.40 -0.62 0.00 0.00 178.44 178.49 3gei h ILE 184 N -0.53 1.31 0.00 4.05 2.04 -1.62 -2.78 117.51 119.98 3gei h ILE 184 Ca -0.01 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.03 3gei h ILE 184 Cb 0.86 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3gei h ILE 184 CO 0.03 0.57 0.00 -0.62 0.00 0.00 0.00 178.15 178.13 3gei n GLU 185 N -3.96 0.08 -0.02 2.37 -0.58 -1.00 -0.72 120.64 116.82 3gei n GLU 185 Ca -0.04 0.49 -0.11 0.00 -0.42 0.00 0.00 57.16 57.08 3gei n GLU 185 Cb 0.62 -1.72 -0.14 0.00 -0.57 0.00 0.00 31.44 29.63 3gei n GLU 185 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gei n LEU 186 N -1.88 1.25 0.21 -4.62 4.77 -1.07 -3.60 117.00 112.07 3gei n LEU 186 Ca 0.01 0.36 0.06 0.00 -0.03 0.00 0.00 56.01 56.40 3gei n LEU 186 Cb 0.08 -0.11 0.48 0.00 -2.33 0.00 0.00 43.42 41.54 3gei n LEU 186 CO 0.09 0.50 0.83 -0.08 -1.33 0.00 0.00 177.39 177.39 3gei h GLU 187 N 0.02 0.00 -0.12 3.23 4.81 -0.72 -2.75 114.58 119.05 3gei h GLU 187 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3gei h GLU 187 Cb 2.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.40 3gei h GLU 187 CO 0.08 0.26 0.00 1.28 -0.73 0.00 0.00 179.01 179.90 3gei n LEU 188 N -4.02 1.98 -0.09 1.64 4.77 -0.30 -3.65 117.00 117.33 3gei n LEU 188 Ca -0.02 -0.76 -0.20 0.00 -0.03 0.00 0.00 56.01 55.00 3gei n LEU 188 Cb 0.33 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 3gei n LEU 188 CO 0.36 0.38 -0.36 -2.24 -1.33 0.00 0.00 177.39 174.20 3gei h ASP 189 N 2.83 0.03 0.00 -1.43 -0.00 -1.55 -3.48 116.42 112.83 3gei h ASP 189 Ca 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 57.03 56.40 3gei h ASP 189 Cb 0.61 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.93 3gei h ASP 189 CO 0.00 1.42 0.00 0.49 -0.00 0.00 0.00 179.24 181.15 3gei n PHE 190 N -4.41 0.00 0.00 4.15 3.01 -1.14 -4.88 117.46 114.20 3gei n PHE 190 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.18 3gei n PHE 190 Cb 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 3gei n PHE 190 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3gei n SER 191 N 1.06 0.00 0.00 4.37 7.64 -1.26 -4.16 113.62 121.26 3gei n SER 191 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3gei n SER 191 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3gei n SER 191 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3gei n GLU 192 N -1.78 0.00 -2.44 1.43 -0.00 -1.26 -5.11 120.64 111.48 3gei n GLU 192 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.73 3gei n GLU 192 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3gei n GLU 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3gei n GLU 193 N 0.00 3.16 -3.65 3.44 1.02 -1.26 -4.88 120.64 118.46 3gei n GLU 193 Ca 0.00 -3.20 -0.38 0.00 -0.02 0.00 0.00 57.16 53.56 3gei n GLU 193 Cb 0.00 -3.41 -0.08 0.00 -0.02 0.00 0.00 31.44 27.93 3gei n GLU 193 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gei s ASP 194 N 3.83 5.49 -0.70 1.62 1.01 -1.26 -4.90 116.67 121.77 3gei s ASP 194 Ca 0.51 -2.85 -0.03 0.00 0.71 0.00 0.00 52.55 50.90 3gei s ASP 194 Cb 0.06 -1.91 0.23 0.00 1.01 0.00 0.00 42.92 42.31 3gei s ASP 194 CO 0.04 -0.40 2.32 0.52 0.21 0.00 0.00 175.17 177.86 3gei n VAL 195 N 3.54 3.51 -0.05 -1.27 0.31 -1.26 -5.02 118.33 118.09 3gei n VAL 195 Ca 0.09 -3.79 0.00 0.00 -0.01 0.00 0.00 64.34 60.63 3gei n VAL 195 Cb 0.39 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 3gei n VAL 195 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3gei n GLU 196 N 0.03 0.00 -3.72 5.55 -0.00 -1.26 -4.81 120.64 116.43 3gei n GLU 196 Ca 0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 57.59 3gei n GLU 196 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.80 3gei n GLU 196 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 3gei n PHE 197 N 14.00 -0.26 -0.56 -1.84 -0.00 -1.26 -4.48 117.46 123.06 3gei n PHE 197 Ca 0.00 0.02 -0.20 0.00 -0.00 0.00 0.00 57.45 57.27 3gei n PHE 197 Cb 0.00 -0.51 -0.02 0.00 -0.00 0.00 0.00 39.48 38.96 3gei n PHE 197 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3gei n GLN 198 N -1.65 0.00 0.07 3.97 3.00 -1.26 -4.96 117.38 116.55 3gei n GLN 198 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.74 3gei n GLN 198 Cb 0.10 -0.43 -0.15 0.00 0.00 0.00 0.00 30.24 29.77 3gei n GLN 198 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 3gei h SER 199 N 0.52 0.59 -0.36 1.08 0.02 -1.99 -3.35 113.55 110.05 3gei h SER 199 Ca -0.13 -0.92 -0.09 0.00 -0.84 0.00 0.00 61.79 59.82 3gei h SER 199 Cb 0.57 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3gei h SER 199 CO 0.23 1.70 -0.13 0.03 -1.14 0.00 0.00 176.83 177.52 3gei h ARG 200 N -0.04 0.73 -0.01 3.45 2.47 -1.98 -2.50 114.38 116.50 3gei h ARG 200 Ca -0.30 -0.30 -0.01 0.00 -1.26 0.00 0.00 59.98 58.11 3gei h ARG 200 Cb 1.98 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 30.27 3gei h ARG 200 CO 0.16 0.90 -0.02 -0.44 0.56 0.00 0.00 179.97 181.13 3gei h ASP 201 N 0.52 0.04 -0.45 7.04 5.19 -1.99 -2.65 116.42 124.13 3gei h ASP 201 Ca 0.09 -0.54 0.09 0.00 -0.62 0.00 0.00 57.03 56.05 3gei h ASP 201 Cb 0.66 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 3gei h ASP 201 CO 0.04 0.57 0.31 -0.08 -3.12 0.00 0.00 179.24 176.97 3gei h GLU 202 N -0.49 0.21 0.13 3.56 4.81 -1.70 -3.09 114.58 118.02 3gei h GLU 202 Ca 0.00 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 58.90 3gei h GLU 202 Cb 0.57 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 3gei h GLU 202 CO 0.00 0.14 -1.66 1.25 -0.73 0.00 0.00 179.01 178.02 3gei h LEU 203 N 0.22 0.44 -1.21 1.64 6.46 -1.49 -3.06 115.31 118.30 3gei h LEU 203 Ca 0.21 -0.88 0.18 0.00 -0.12 0.00 0.00 57.88 57.27 3gei h LEU 203 Cb 0.54 -0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 40.24 3gei h LEU 203 CO -0.04 1.73 0.61 0.74 -0.62 0.00 0.00 178.44 180.85 3gei h THR 204 N -0.13 0.74 -0.15 1.05 2.02 -1.39 0.79 112.91 115.84 3gei h THR 204 Ca -0.35 -0.23 -0.18 0.00 0.77 0.00 0.00 66.41 66.42 3gei h THR 204 Cb 1.90 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3gei h THR 204 CO 0.08 0.12 -0.61 0.24 0.37 0.00 0.00 175.52 175.72 3gei h MET 205 N 0.66 0.68 -0.93 6.66 2.86 -1.69 -2.23 114.93 120.94 3gei h MET 205 Ca 0.52 -0.53 0.11 0.00 -2.06 0.00 0.00 59.70 57.74 3gei h MET 205 Cb 0.92 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.61 3gei h MET 205 CO -0.28 1.15 0.60 1.96 1.06 0.00 0.00 176.91 181.40 3gei h GLN 206 N 0.36 0.88 -0.33 1.72 4.20 -0.94 0.35 115.11 121.35 3gei h GLN 206 Ca -0.04 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.46 3gei h GLN 206 Cb 1.25 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 3gei h GLN 206 CO 0.13 0.58 -0.42 0.82 -0.67 0.00 0.00 178.83 179.27 3gei h ILE 207 N 0.91 1.28 -0.43 2.54 1.08 -0.93 -2.70 117.51 119.26 3gei h ILE 207 Ca 0.45 -1.60 -0.14 0.00 -0.39 0.00 0.00 64.86 63.18 3gei h ILE 207 Cb 0.47 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.73 3gei h ILE 207 CO -0.21 0.53 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.18 3gei h GLU 208 N 0.66 0.91 0.16 2.37 5.08 -0.60 0.23 114.58 123.38 3gei h GLU 208 Ca 0.04 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3gei h GLU 208 Cb 1.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3gei h GLU 208 CO 0.10 1.06 -0.17 1.15 -1.00 0.00 0.00 179.01 180.15 3gei h THR 209 N 0.77 0.62 0.00 1.13 2.02 -0.43 -2.47 112.91 114.56 3gei h THR 209 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3gei h THR 209 Cb 0.83 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3gei h THR 209 CO 0.07 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.89 3gei h LEU 210 N -0.36 0.00 0.12 2.58 4.07 -1.27 -2.30 115.31 118.14 3gei h LEU 210 Ca 0.01 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.76 3gei h LEU 210 Cb 0.35 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.10 3gei h LEU 210 CO -0.05 0.00 -1.01 -0.09 -1.08 0.00 0.00 178.44 176.21 3gei h ARG 211 N 0.00 0.24 0.00 1.13 2.43 -0.50 -2.55 114.38 115.12 3gei h ARG 211 Ca 0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3gei h ARG 211 Cb 0.18 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3gei h ARG 211 CO 0.00 1.20 0.00 0.66 -1.51 0.00 0.00 179.97 180.32 3gei h SER 212 N -0.42 0.00 0.21 -3.80 4.64 -1.45 0.15 113.55 112.89 3gei h SER 212 Ca -0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3gei h SER 212 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 3gei h SER 212 CO 0.09 0.00 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.62 3gei h GLU 213 N 0.00 -0.28 -0.19 4.77 4.39 -1.48 -2.57 114.58 119.23 3gei h GLU 213 Ca 0.00 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 3gei h GLU 213 Cb 0.68 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3gei h GLU 213 CO 0.00 -0.05 -0.29 0.28 -1.16 0.00 0.00 179.01 177.79 3gei h VAL 214 N -0.46 1.34 -0.94 3.13 2.07 -1.18 -3.20 116.25 117.00 3gei h VAL 214 Ca -0.03 -1.51 0.06 0.00 0.82 0.00 0.00 66.70 66.04 3gei h VAL 214 Cb 0.35 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 3gei h VAL 214 CO 0.05 0.46 0.61 0.78 0.02 0.00 0.00 177.57 179.49 3gei h ASN 215 N 0.20 0.96 -0.36 0.57 2.35 -0.79 -1.29 115.58 117.21 3gei h ASN 215 Ca 0.02 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3gei h ASN 215 Cb 0.87 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.99 3gei h ASN 215 CO 0.07 0.62 0.06 -0.09 -1.65 0.00 0.00 177.43 176.44 3gei h ARG 216 N 1.09 0.18 -0.14 0.81 2.43 -1.48 -1.94 114.38 115.33 3gei h ARG 216 Ca 0.40 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3gei h ARG 216 Cb 0.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3gei h ARG 216 CO -0.15 0.12 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.23 3gei h LEU 217 N 0.18 0.20 -1.01 3.80 3.38 -1.32 -2.33 115.31 118.21 3gei h LEU 217 Ca 0.17 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3gei h LEU 217 Cb 0.20 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3gei h LEU 217 CO -0.23 0.36 -0.14 0.40 0.09 0.00 0.00 178.44 178.92 3gei h ILE 218 N 0.21 1.24 0.00 1.22 2.04 -0.54 -2.75 117.51 118.92 3gei h ILE 218 Ca 0.04 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 3gei h ILE 218 Cb 0.37 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3gei h ILE 218 CO 0.02 0.36 -0.26 0.44 0.00 0.00 0.00 178.15 178.71 3gei h ASP 219 N 0.50 0.00 -0.94 1.72 3.32 -0.84 -3.11 116.42 117.06 3gei h ASP 219 Ca 0.09 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3gei h ASP 219 Cb 0.54 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.04 3gei h ASP 219 CO 0.03 0.26 0.62 0.28 -1.72 0.00 0.00 179.24 178.71 3gei h SER 220 N 0.00 1.07 -0.81 6.45 0.02 -1.29 -2.92 113.55 116.06 3gei h SER 220 Ca -0.00 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3gei h SER 220 Cb 0.76 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 3gei h SER 220 CO 0.03 0.76 0.48 0.22 -1.14 0.00 0.00 176.83 177.19 3gei h TYR 221 N 1.26 0.89 -0.89 3.45 5.03 -1.64 0.52 116.97 125.58 3gei h TYR 221 Ca 0.35 0.03 0.20 0.00 2.58 0.00 0.00 58.73 61.89 3gei h TYR 221 Cb -0.11 -0.28 -0.17 0.00 1.55 0.00 0.00 36.73 37.72 3gei h TYR 221 CO -0.00 0.42 -0.16 0.94 -1.32 0.00 0.00 178.16 178.04 3gei n GLN 222 N -4.69 -0.08 -0.10 1.82 -0.06 -1.10 -1.07 117.38 112.10 3gei n GLN 222 Ca 0.12 1.38 -0.21 0.00 -2.00 0.00 0.00 57.00 56.29 3gei n GLN 222 Cb 0.20 -2.10 -0.12 0.00 -4.06 0.00 0.00 30.24 24.17 3gei n GLN 222 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 3gei h HIS 223 N 0.00 0.00 -0.48 3.69 2.76 -1.25 -3.40 115.15 116.47 3gei h HIS 223 Ca 0.46 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.77 3gei h HIS 223 Cb 0.77 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 3gei h HIS 223 CO -0.63 1.42 0.37 0.78 -1.30 0.00 0.00 177.93 178.57 3gei h GLY 224 N -0.99 0.00 0.96 5.26 0.00 0.32 -1.22 103.07 107.40 3gei h GLY 224 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3gei h GLY 224 CO -0.18 0.00 0.19 -0.09 0.00 0.00 0.00 176.54 176.46 3gei h ARG 225 N 0.00 0.67 -0.53 4.80 2.43 -1.28 0.02 114.38 120.49 3gei h ARG 225 Ca 0.23 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3gei h ARG 225 Cb 0.97 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 3gei h ARG 225 CO -0.00 0.60 0.18 0.82 -1.51 0.00 0.00 179.97 180.06 3gei h ILE 226 N 0.59 1.20 -0.47 1.20 2.04 -1.40 -0.06 117.51 120.61 3gei h ILE 226 Ca 0.15 -0.67 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 3gei h ILE 226 Cb 0.17 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3gei h ILE 226 CO -0.01 0.26 -0.12 0.58 0.00 0.00 0.00 178.15 178.85 3gei h VAL 227 N 0.76 1.26 0.15 1.67 2.07 -1.19 -0.46 116.25 120.52 3gei h VAL 227 Ca 0.18 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 3gei h VAL 227 Cb 0.19 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3gei h VAL 227 CO -0.01 0.42 -0.07 -1.28 0.02 0.00 0.00 177.57 176.65 3gei h SER 228 N 0.78 -0.18 0.00 0.57 0.87 -0.47 -3.38 113.55 111.74 3gei h SER 228 Ca 0.12 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3gei h SER 228 Cb 0.64 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3gei h SER 228 CO 0.04 0.39 -0.04 -1.84 -0.53 0.00 0.00 176.83 174.85 3gei n GLU 229 N -4.91 1.68 -0.99 2.24 0.28 -0.08 -4.97 120.64 113.89 3gei n GLU 229 Ca -0.08 -1.38 0.00 0.00 -0.16 0.00 0.00 57.16 55.54 3gei n GLU 229 Cb 0.26 -0.91 0.00 0.00 1.43 0.00 0.00 31.44 32.22 3gei n GLU 229 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3gei n GLY 230 N -0.49 0.01 0.28 -1.84 0.00 -0.18 -4.98 105.19 98.00 3gei n GLY 230 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3gei n GLY 230 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gei n SER 403 N -0.58 0.00 -4.74 1.61 2.88 -1.26 -4.25 113.62 107.28 3gei n SER 403 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 3gei n SER 403 Cb 0.25 -0.85 -0.02 0.00 -0.75 0.00 0.00 64.21 62.84 3gei n SER 403 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3gei s VAL 404 N -2.42 2.72 0.19 2.46 1.01 -1.26 -5.04 120.40 118.06 3gei s VAL 404 Ca 0.00 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.63 3gei s VAL 404 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3gei s VAL 404 CO 0.00 0.09 0.22 -0.76 0.00 0.00 0.00 175.10 174.65 3gei s LEU 405 N -0.33 4.01 -0.19 3.92 1.43 -1.26 -4.90 118.68 121.36 3gei s LEU 405 Ca 0.59 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.62 3gei s LEU 405 Cb -0.41 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.23 3gei s LEU 405 CO 0.43 0.02 -0.14 0.68 0.23 0.00 0.00 176.35 177.57 3gei s VAL 406 N -1.88 2.65 0.51 -1.59 -7.23 -1.26 -4.96 120.40 106.64 3gei s VAL 406 Ca 0.33 -0.75 -0.07 0.00 -1.81 0.00 0.00 61.98 59.68 3gei s VAL 406 Cb -0.10 -2.15 0.11 0.00 0.56 0.00 0.00 36.38 34.81 3gei s VAL 406 CO 0.26 0.49 0.69 0.41 -0.31 0.00 0.00 175.10 176.64 3gei n THR 407 N 4.54 0.00 -0.34 5.32 -1.04 -1.26 -3.90 114.28 117.60 3gei n THR 407 Ca -0.20 -0.62 -0.11 0.00 -2.04 0.00 0.00 64.05 61.08 3gei n THR 407 Cb 0.51 -1.59 -0.01 0.00 -1.82 0.00 0.00 70.33 67.42 3gei n THR 407 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3gei n SER 408 N -3.35 -0.41 -4.55 8.00 7.64 -1.26 -4.52 113.62 115.16 3gei n SER 408 Ca 0.09 0.26 -0.34 0.00 1.01 0.00 0.00 58.87 59.89 3gei n SER 408 Cb 0.32 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 3gei n SER 408 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3gei s LEU 409 N 0.82 3.34 0.06 -3.43 0.05 -1.26 -3.72 118.68 114.55 3gei s LEU 409 Ca 0.16 0.88 0.00 0.00 0.05 0.00 0.00 54.13 55.22 3gei s LEU 409 Cb -0.21 -2.51 0.00 0.00 -2.05 0.00 0.00 46.19 41.42 3gei s LEU 409 CO 0.14 -2.94 0.00 -1.14 -0.55 0.00 0.00 176.35 171.86 3gei n ARG 410 N 9.01 0.00 0.03 1.48 0.63 -1.26 -4.73 116.66 121.82 3gei n ARG 410 Ca 0.36 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.19 3gei n ARG 410 Cb 0.53 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.40 3gei n ARG 410 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3gei h HIS 411 N 0.00 -0.65 0.13 -0.14 3.86 -1.84 0.96 115.15 117.48 3gei h HIS 411 Ca 0.00 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3gei h HIS 411 Cb 0.00 0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 3gei h HIS 411 CO 0.00 -0.33 -0.41 -0.92 0.86 0.00 0.00 177.93 177.13 3gei h TYR 412 N -0.35 -1.14 -0.84 2.45 3.20 -1.79 -0.12 116.97 118.38 3gei h TYR 412 Ca 0.08 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3gei h TYR 412 Cb 0.46 0.48 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 3gei h TYR 412 CO -0.31 -0.51 0.42 0.93 -1.64 0.00 0.00 178.16 177.05 3gei h GLU 413 N -0.65 1.19 0.00 1.82 5.08 -1.82 -1.12 114.58 119.07 3gei h GLU 413 Ca 0.02 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3gei h GLU 413 Cb 0.67 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3gei h GLU 413 CO -0.23 0.90 -0.30 0.00 -1.00 0.00 0.00 179.01 178.38 3gei h ALA 414 N 1.27 1.01 0.00 3.43 0.00 -0.68 -2.60 119.26 121.70 3gei h ALA 414 Ca 0.29 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3gei h ALA 414 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3gei h ALA 414 CO -0.04 0.38 -0.70 -0.07 0.00 0.00 0.00 179.25 178.82 3gei h LEU 415 N 0.00 0.00 0.39 0.00 3.38 0.01 -2.00 115.31 117.10 3gei h LEU 415 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gei h LEU 415 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3gei h LEU 415 CO 0.04 0.70 -0.19 0.03 0.09 0.00 0.00 178.44 179.11 3gei h ARG 416 N 0.00 -0.51 -0.97 1.13 2.47 -0.98 -1.52 114.38 113.99 3gei h ARG 416 Ca -0.01 0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.85 3gei h ARG 416 Cb 1.29 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 29.65 3gei h ARG 416 CO 0.09 -0.22 0.62 -0.91 0.56 0.00 0.00 179.97 180.11 3gei h ASN 417 N -0.76 0.93 -0.96 7.04 2.35 -1.52 0.90 115.58 123.55 3gei h ASN 417 Ca -0.05 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3gei h ASN 417 Cb 0.52 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 3gei h ASN 417 CO 0.09 0.54 0.63 0.00 -1.65 0.00 0.00 177.43 177.04 3gei h ALA 418 N 1.52 1.22 -0.16 -0.83 0.00 -1.29 -1.83 119.26 117.89 3gei h ALA 418 Ca 0.46 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 3gei h ALA 418 Cb 0.37 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gei h ALA 418 CO -0.21 0.62 -0.28 1.03 0.00 0.00 0.00 179.25 180.41 3gei h SER 419 N 1.31 0.52 -0.15 0.00 0.87 -0.00 -1.89 113.55 114.20 3gei h SER 419 Ca 0.35 -0.54 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 3gei h SER 419 Cb -0.14 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.62 3gei h SER 419 CO -0.08 0.96 -0.15 0.44 -0.53 0.00 0.00 176.83 177.48 3gei h ASP 420 N 0.10 -0.46 -0.81 6.23 3.32 -0.79 0.14 116.42 124.14 3gei h ASP 420 Ca 0.01 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3gei h ASP 420 Cb 0.86 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 3gei h ASP 420 CO 0.06 -0.19 0.34 0.00 -1.72 0.00 0.00 179.24 177.73 3gei h ALA 421 N 0.91 1.06 -0.87 3.45 0.00 -1.37 0.75 119.26 123.19 3gei h ALA 421 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gei h ALA 421 Cb 0.32 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3gei h ALA 421 CO -0.25 0.67 0.56 -0.07 0.00 0.00 0.00 179.25 180.16 3gei h LEU 422 N 1.18 1.02 0.00 0.00 4.07 -0.91 -0.46 115.31 120.21 3gei h LEU 422 Ca 0.27 -0.04 -0.16 0.00 0.08 0.00 0.00 57.88 58.03 3gei h LEU 422 Cb 0.20 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 3gei h LEU 422 CO -0.02 0.76 -0.80 -0.61 -1.08 0.00 0.00 178.44 176.69 3gei h GLN 423 N 1.19 0.00 -0.23 1.13 -0.00 -0.12 -0.98 115.11 116.10 3gei h GLN 423 Ca 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.96 3gei h GLN 423 Cb -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.37 3gei h GLN 423 CO -0.07 0.67 0.13 -0.91 0.00 0.00 0.00 178.83 178.66 3gei h ASN 424 N 0.00 0.29 -0.23 -0.69 4.21 0.72 -1.77 115.58 118.11 3gei h ASN 424 Ca -0.03 -0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.33 3gei h ASN 424 Cb 1.57 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 38.68 3gei h ASN 424 CO 0.09 0.28 -0.09 0.00 -1.29 0.00 0.00 177.43 176.42 3gei h ALA 425 N 1.01 1.18 -0.20 -0.83 0.00 -1.00 -1.09 119.26 118.34 3gei h ALA 425 Ca 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3gei h ALA 425 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gei h ALA 425 CO -0.01 0.53 0.02 1.25 0.00 0.00 0.00 179.25 181.04 3gei h LEU 426 N 0.56 0.32 -0.76 0.00 5.85 -1.07 -2.91 115.31 117.31 3gei h LEU 426 Ca 0.10 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 3gei h LEU 426 Cb 0.49 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3gei h LEU 426 CO 0.03 0.52 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.16 3gei h GLU 427 N 0.12 0.46 0.00 1.25 4.81 -1.25 -3.10 114.58 116.87 3gei h GLU 427 Ca 0.06 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3gei h GLU 427 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3gei h GLU 427 CO 0.01 0.79 -0.18 1.25 -0.73 0.00 0.00 179.01 180.14 3gei h LEU 428 N 0.38 0.00 -0.02 1.64 6.46 -1.10 -1.36 115.31 121.31 3gei h LEU 428 Ca 0.03 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.63 3gei h LEU 428 Cb 0.88 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.82 3gei h LEU 428 CO 0.07 0.18 -0.62 0.40 -0.62 0.00 0.00 178.44 177.86 3gei h ILE 429 N 0.00 1.40 -0.03 4.05 2.04 -1.44 -2.17 117.51 121.37 3gei h ILE 429 Ca -0.00 -2.04 0.01 0.00 1.00 0.00 0.00 64.86 63.82 3gei h ILE 429 Cb 0.34 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3gei h ILE 429 CO 0.02 0.60 0.02 0.00 0.00 0.00 0.00 178.15 178.80 3gei h ALA 430 N 0.36 2.03 -0.26 1.87 0.00 -1.42 -0.23 119.26 121.60 3gei h ALA 430 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gei h ALA 430 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3gei h ALA 430 CO 0.12 -0.04 0.00 0.72 0.00 0.00 0.00 179.25 180.06 3gei n HIS 431 N -4.53 0.34 -3.79 0.00 8.25 -0.56 -4.98 115.22 109.95 3gei n HIS 431 Ca -0.02 -0.17 -0.27 0.00 -0.26 0.00 0.00 57.72 56.99 3gei n HIS 431 Cb 0.12 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.28 3gei n HIS 431 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3gei n GLU 432 N 0.61 -6.33 -2.40 -0.41 1.02 -0.10 -5.00 120.64 108.03 3gei n GLU 432 Ca 0.16 0.68 -0.24 0.00 -0.02 0.00 0.00 57.16 57.74 3gei n GLU 432 Cb 0.38 -5.61 0.06 0.00 -0.02 0.00 0.00 31.44 26.25 3gei n GLU 432 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3gei s SER 433 N -3.39 4.90 0.47 1.62 0.01 -0.83 -5.03 113.70 111.44 3gei s SER 433 Ca 0.59 0.19 -0.23 0.00 1.31 0.00 0.00 55.95 57.81 3gei s SER 433 Cb -0.28 -0.89 -0.09 0.00 0.21 0.00 0.00 66.02 64.97 3gei s SER 433 CO 0.79 -1.48 1.00 -0.62 0.41 0.00 0.00 173.24 173.35 3gei n GLU 434 N -2.71 1.27 -0.04 12.44 4.71 -1.26 -4.88 120.64 130.17 3gei n GLU 434 Ca 0.09 0.46 0.01 0.00 -0.01 0.00 0.00 57.16 57.71 3gei n GLU 434 Cb 0.60 -2.09 0.33 0.00 -1.01 0.00 0.00 31.44 29.27 3gei n GLU 434 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 3gei h THR 435 N 1.31 1.17 -0.84 2.62 1.35 -1.97 -2.71 112.91 113.83 3gei h THR 435 Ca -0.46 -0.51 0.10 0.00 -0.55 0.00 0.00 66.41 64.99 3gei h THR 435 Cb 1.34 0.64 -0.07 0.00 -1.73 0.00 0.00 68.15 68.33 3gei h THR 435 CO 0.55 0.20 0.49 -0.33 -0.25 0.00 0.00 175.52 176.18 3gei h GLU 436 N 0.62 0.79 -0.10 4.72 5.08 -1.95 0.20 114.58 123.94 3gei h GLU 436 Ca 0.15 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 3gei h GLU 436 Cb 0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3gei h GLU 436 CO -0.02 0.52 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.82 3gei h LEU 437 N 0.81 0.40 -0.04 1.33 3.38 -1.85 -2.70 115.31 116.63 3gei h LEU 437 Ca 0.41 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3gei h LEU 437 Cb 0.37 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3gei h LEU 437 CO -0.25 0.92 -0.24 0.40 0.09 0.00 0.00 178.44 179.37 3gei h ILE 438 N 0.25 1.46 0.00 1.22 2.04 -1.28 -3.08 117.51 118.13 3gei h ILE 438 Ca -0.01 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.13 3gei h ILE 438 Cb 1.16 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3gei h ILE 438 CO 0.10 0.48 -0.05 0.00 0.00 0.00 0.00 178.15 178.69 3gei h ALA 439 N 0.39 1.17 0.00 1.87 0.00 -1.05 -2.47 119.26 119.16 3gei h ALA 439 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gei h ALA 439 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gei h ALA 439 CO 0.05 0.06 -0.24 0.35 0.00 0.00 0.00 179.25 179.46 3gei h PHE 440 N 0.00 0.00 0.10 0.00 3.04 -1.40 -2.62 116.94 116.05 3gei h PHE 440 Ca -0.00 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.62 3gei h PHE 440 Cb 0.22 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 3gei h PHE 440 CO 0.00 0.00 -1.75 0.93 -2.02 0.00 0.00 178.31 175.47 3gei h GLU 441 N 0.00 0.21 -0.60 1.11 4.39 -1.36 -3.16 114.58 115.16 3gei h GLU 441 Ca 0.00 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 3gei h GLU 441 Cb 0.77 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 3gei h GLU 441 CO 0.00 1.02 0.13 -0.07 -1.16 0.00 0.00 179.01 178.93 3gei h LEU 442 N 0.06 0.89 -0.61 1.33 3.38 -1.55 0.53 115.31 119.34 3gei h LEU 442 Ca -0.32 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3gei h LEU 442 Cb 2.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 3gei h LEU 442 CO 0.12 0.87 0.38 0.03 0.09 0.00 0.00 178.44 179.94 3gei h ARG 443 N 0.90 0.82 -0.43 1.13 3.08 -1.60 -1.65 114.38 116.62 3gei h ARG 443 Ca 0.19 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 3gei h ARG 443 Cb 0.34 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3gei h ARG 443 CO 0.00 0.57 -0.10 0.00 -1.07 0.00 0.00 179.97 179.37 3gei h ALA 444 N 1.20 1.01 0.09 0.04 0.00 -1.36 -1.60 119.26 118.64 3gei h ALA 444 Ca 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gei h ALA 444 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gei h ALA 444 CO -0.04 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.76 3gei h ALA 445 N 1.19 -0.12 -0.86 0.00 0.00 -0.74 -2.48 119.26 116.24 3gei h ALA 445 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3gei h ALA 445 Cb 0.57 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3gei h ALA 445 CO 0.04 -0.46 0.53 1.25 0.00 0.00 0.00 179.25 180.60 3gei h LEU 446 N -0.33 0.83 -1.37 0.00 6.46 -1.21 -1.75 115.31 117.94 3gei h LEU 446 Ca -0.01 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.71 3gei h LEU 446 Cb 0.28 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 3gei h LEU 446 CO 0.02 0.53 -0.18 -0.78 -0.62 0.00 0.00 178.44 177.40 3gei h ASP 447 N 0.96 0.18 -0.14 1.25 3.58 -1.21 -0.77 116.42 120.27 3gei h ASP 447 Ca 0.38 -0.04 -0.20 0.00 0.42 0.00 0.00 57.03 57.59 3gei h ASP 447 Cb 0.19 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.20 3gei h ASP 447 CO -0.18 0.38 -0.68 1.88 -2.88 0.00 0.00 179.24 177.76 3gei h TYR 448 N 0.18 0.95 -0.42 0.28 0.05 -0.89 -1.94 116.97 115.18 3gei h TYR 448 Ca 0.03 -0.42 -0.03 0.00 0.05 0.00 0.00 58.73 58.36 3gei h TYR 448 Cb 0.44 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 3gei h TYR 448 CO 0.01 1.24 0.13 0.28 -1.05 0.00 0.00 178.16 178.76 3gei h VAL 449 N 0.39 1.22 0.00 -2.88 2.07 -1.06 -2.46 116.25 113.53 3gei h VAL 449 Ca -0.05 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 3gei h VAL 449 Cb 1.32 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3gei h VAL 449 CO 0.14 0.26 -0.18 1.23 0.02 0.00 0.00 177.57 179.04 3gei h GLY 450 N 0.54 0.00 0.85 2.17 0.00 -1.21 -2.74 103.07 102.68 3gei h GLY 450 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.56 3gei h GLY 450 CO -0.00 0.00 0.51 -1.61 0.00 0.00 0.00 176.54 175.44 3gei h GLN 451 N 0.00 0.70 0.00 4.80 4.15 -0.85 0.60 115.11 124.52 3gei h GLN 451 Ca -0.00 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 3gei h GLN 451 Cb 0.32 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 3gei h GLN 451 CO 0.02 0.46 -0.85 -0.84 -1.93 0.00 0.00 178.83 175.70 3gei h ILE 452 N 0.72 1.49 -0.43 2.39 3.07 -1.47 -3.07 117.51 120.21 3gei h ILE 452 Ca 0.36 -3.04 0.00 0.00 1.55 0.00 0.00 64.86 63.73 3gei h ILE 452 Cb 0.44 2.69 0.00 0.00 -0.27 0.00 0.00 36.82 39.68 3gei h ILE 452 CO -0.14 0.83 0.00 0.35 -1.05 0.00 0.00 178.15 178.15 3gei n THR 453 N -3.35 0.94 -0.81 0.16 -2.24 -1.12 -4.23 114.28 103.63 3gei n THR 453 Ca 0.00 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3gei n THR 453 Cb 0.87 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3gei n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gei n GLY 454 N 0.99 0.94 0.37 3.38 0.00 -1.08 -3.04 105.19 106.74 3gei n GLY 454 Ca 0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.34 3gei n GLY 454 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gei h LYS 455 N 2.31 0.63 -4.51 1.61 1.79 -1.13 -3.02 116.57 114.24 3gei h LYS 455 Ca 0.00 -0.04 -0.71 0.00 -2.18 0.00 0.00 60.65 57.72 3gei h LYS 455 Cb 0.00 -0.14 -0.26 0.00 -1.58 0.00 0.00 32.23 30.25 3gei h LYS 455 CO 0.00 0.42 -0.48 0.08 -1.08 0.00 0.00 179.45 178.38 3gei s VAL 456 N -5.74 4.44 0.60 0.50 1.01 -1.15 -4.96 120.40 115.09 3gei s VAL 456 Ca -0.10 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.59 3gei s VAL 456 Cb 0.25 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3gei s VAL 456 CO 0.80 -0.38 1.07 0.68 0.00 0.00 0.00 175.10 177.27 3gei s VAL 457 N 1.50 3.62 0.00 2.92 -7.23 -1.15 -4.66 120.40 115.40 3gei s VAL 457 Ca 0.02 0.80 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 3gei s VAL 457 Cb -0.21 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.42 3gei s VAL 457 CO 0.05 -0.42 0.00 -3.20 -0.31 0.00 0.00 175.10 171.22 3gei n ASN 458 N -1.98 3.65 -1.63 4.85 2.85 -1.26 -5.02 115.26 116.72 3gei n ASN 458 Ca 0.09 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.38 3gei n ASN 458 Cb 0.52 0.20 -0.07 0.00 1.24 0.00 0.00 39.78 41.67 3gei n ASN 458 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 3gei n GLU 459 N -2.02 -1.45 0.00 1.20 2.13 -1.26 -4.52 120.64 114.72 3gei n GLU 459 Ca 0.00 1.08 0.00 0.00 0.66 0.00 0.00 57.16 58.90 3gei n GLU 459 Cb 0.41 -5.46 0.00 0.00 0.27 0.00 0.00 31.44 26.66 3gei n GLU 459 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3gei n GLU 460 N -2.31 1.26 -0.09 5.31 2.13 -1.26 -4.55 120.64 121.14 3gei n GLU 460 Ca -0.19 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.50 3gei n GLU 460 Cb 0.62 -0.63 -0.05 0.00 0.27 0.00 0.00 31.44 31.65 3gei n GLU 460 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3gei h VAL 461 N 0.00 1.31 -0.71 6.31 2.07 -1.99 -2.74 116.25 120.50 3gei h VAL 461 Ca 0.00 -1.42 0.14 0.00 0.82 0.00 0.00 66.70 66.25 3gei h VAL 461 Cb 0.24 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3gei h VAL 461 CO 0.00 0.45 0.48 -0.07 0.02 0.00 0.00 177.57 178.45 3gei h LEU 462 N 0.36 0.34 -0.01 2.57 3.38 -1.89 -2.01 115.31 118.05 3gei h LEU 462 Ca 0.04 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3gei h LEU 462 Cb 0.81 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3gei h LEU 462 CO 0.06 0.18 -0.21 0.78 0.09 0.00 0.00 178.44 179.35 3gei h ASN 463 N 0.36 0.20 0.53 -0.43 2.35 -1.78 -2.04 115.58 114.77 3gei h ASN 463 Ca 0.35 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3gei h ASN 463 Cb 0.84 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3gei h ASN 463 CO -0.10 0.92 0.00 0.71 -1.65 0.00 0.00 177.43 177.31 3gei h THR 464 N -0.51 0.00 0.00 2.81 1.35 -1.18 0.64 112.91 116.02 3gei h THR 464 Ca -0.02 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3gei h THR 464 Cb 0.95 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3gei h THR 464 CO 0.04 0.00 -0.01 0.40 -0.25 0.00 0.00 175.52 175.70 3gei h ILE 465 N 0.00 0.10 -0.00 6.82 2.04 -1.41 -3.40 117.51 121.66 3gei h ILE 465 Ca 0.00 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.78 3gei h ILE 465 Cb 0.26 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3gei h ILE 465 CO 0.00 0.03 -0.00 0.49 0.00 0.00 0.00 178.15 178.67 3gei n PHE 466 N -4.77 0.00 0.15 1.37 3.72 -0.77 -2.69 117.46 114.48 3gei n PHE 466 Ca -0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 3gei n PHE 466 Cb 0.03 -0.13 0.05 0.00 -0.94 0.00 0.00 39.48 38.49 3gei n PHE 466 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3gei h ASP 467 N 0.03 0.00 1.06 4.37 3.32 -1.08 -3.14 116.42 120.98 3gei h ASP 467 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gei h ASP 467 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3gei h ASP 467 CO 0.00 0.43 0.00 0.29 -1.72 0.00 0.00 179.24 178.24 3gei n LYS 468 N -3.21 0.18 -2.78 3.56 4.76 -1.09 -4.85 118.16 114.72 3gei n LYS 468 Ca 0.02 0.26 -0.39 0.00 -2.87 0.00 0.00 58.31 55.33 3gei n LYS 468 Cb 0.70 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 32.07 3gei n LYS 468 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3gei s PHE 469 N -3.15 3.87 0.49 2.13 0.40 -1.19 -5.03 117.98 115.49 3gei s PHE 469 Ca 0.09 1.84 -0.22 0.00 -0.60 0.00 0.00 56.93 58.04 3gei s PHE 469 Cb 0.12 -2.94 -0.07 0.00 0.51 0.00 0.00 43.02 40.64 3gei s PHE 469 CO 0.49 0.37 1.15 0.00 0.70 0.00 0.00 175.22 177.92 3gei s ILE 471 N -1.62 3.09 0.00 0.00 1.01 -1.26 -3.18 121.20 119.25 3gei s ILE 471 Ca 0.66 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.39 3gei s ILE 471 Cb -0.27 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3gei s ILE 471 CO 0.32 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.73 3gei n GLY 472 N 5.83 0.81 1.59 6.18 0.00 -1.26 -4.56 105.19 113.78 3gei n GLY 472 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3gei n GLY 472 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49