#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itw s THR 3 N 0.00 4.22 0.11 6.66 2.01 -1.26 -4.96 115.64 122.41 1itw s THR 3 Ca 0.00 1.78 -0.36 0.00 0.31 0.00 0.00 61.69 63.42 1itw s THR 3 Cb 0.00 -4.14 -0.17 0.00 0.01 0.00 0.00 72.50 68.20 1itw s THR 3 CO 0.00 0.24 1.22 -2.65 -0.69 0.00 0.00 174.62 172.74 1itw n PRO 4 N 2.98 0.97 -4.50 4.92 -0.02 -1.26 -4.75 135.00 133.33 1itw n PRO 4 Ca 0.04 0.35 -0.22 0.00 -2.02 0.00 0.00 63.50 61.65 1itw n PRO 4 Cb 0.48 -1.90 -0.16 0.00 -0.02 0.00 0.00 33.50 31.90 1itw n PRO 4 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1itw s LYS 5 N 0.08 1.25 -0.13 -0.52 2.20 -1.26 0.08 119.74 121.44 1itw s LYS 5 Ca 0.81 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 1itw s LYS 5 Cb -0.96 -1.12 -0.00 0.00 -1.51 0.00 0.00 37.83 34.24 1itw s LYS 5 CO 0.50 0.11 -0.18 0.42 -0.36 0.00 0.00 175.35 175.84 1itw s ILE 6 N 0.29 2.48 -0.24 5.43 1.01 0.51 -4.46 121.20 126.23 1itw s ILE 6 Ca -0.06 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 1itw s ILE 6 Cb -0.11 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1itw s ILE 6 CO 0.01 0.53 0.36 -0.63 0.00 0.00 0.00 174.94 175.22 1itw s ILE 7 N 0.59 5.20 -0.22 2.92 -1.09 0.20 -1.30 121.20 127.50 1itw s ILE 7 Ca -0.10 0.59 -0.07 0.00 -2.23 0.00 0.00 60.65 58.84 1itw s ILE 7 Cb -0.16 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 1itw s ILE 7 CO 0.03 0.21 0.05 -0.47 -1.23 0.00 0.00 174.94 173.53 1itw s TYR 8 N 1.69 3.11 0.04 3.97 5.04 0.13 -0.76 117.35 130.57 1itw s TYR 8 Ca 0.16 -0.29 -0.26 0.00 -2.44 0.00 0.00 57.07 54.24 1itw s TYR 8 Cb -0.15 -2.15 -0.05 0.00 0.35 0.00 0.00 41.96 39.96 1itw s TYR 8 CO 0.09 -0.18 0.82 0.95 -1.34 0.00 0.00 175.55 175.88 1itw s THR 9 N 1.09 4.75 -0.25 4.34 -4.23 -1.00 -2.30 115.64 118.04 1itw s THR 9 Ca 0.04 1.73 -0.17 0.00 -1.18 0.00 0.00 61.69 62.10 1itw s THR 9 Cb -0.14 -4.17 -0.03 0.00 1.34 0.00 0.00 72.50 69.50 1itw s THR 9 CO 0.03 0.32 0.49 -0.76 -0.54 0.00 0.00 174.62 174.15 1itw s LEU 10 N 0.18 4.07 0.00 4.79 1.02 0.14 -4.64 118.68 124.24 1itw s LEU 10 Ca 0.41 0.51 0.00 0.00 0.02 0.00 0.00 54.13 55.07 1itw s LEU 10 Cb -0.21 -2.62 0.00 0.00 0.02 0.00 0.00 46.19 43.38 1itw s LEU 10 CO 0.24 -0.24 0.00 0.35 0.02 0.00 0.00 176.35 176.72 1itw n THR 11 N 5.02 0.00 -4.50 5.49 -2.24 -1.26 -1.54 114.28 115.25 1itw n THR 11 Ca -0.05 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.49 1itw n THR 11 Cb 0.50 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 1itw n THR 11 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1itw s ASP 12 N 0.52 3.26 0.00 3.42 1.01 -1.26 -4.40 116.67 119.22 1itw s ASP 12 Ca 0.00 -1.23 0.00 0.00 0.71 0.00 0.00 52.55 52.03 1itw s ASP 12 Cb 0.00 -0.26 0.00 0.00 1.01 0.00 0.00 42.92 43.67 1itw s ASP 12 CO 0.00 -0.31 0.00 -0.62 0.21 0.00 0.00 175.17 174.45 1itw n GLU 13 N -0.72 0.00 -0.01 8.23 1.02 -1.26 -2.46 120.64 125.44 1itw n GLU 13 Ca -0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.99 1itw n GLU 13 Cb 0.64 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.02 1itw n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1itw h ALA 14 N 0.00 -0.32 -0.96 0.62 0.00 -1.49 -1.63 119.26 115.49 1itw h ALA 14 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1itw h ALA 14 Cb 0.00 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1itw h ALA 14 CO 0.00 -0.77 0.62 -1.35 0.00 0.00 0.00 179.25 177.75 1itw h PRO 15 N -0.36 1.05 -0.53 0.00 0.11 -1.70 -1.04 132.00 129.51 1itw h PRO 15 Ca 0.10 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 1itw h PRO 15 Cb 0.52 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1itw h PRO 15 CO -0.35 0.69 0.25 0.00 -0.21 0.00 0.00 178.00 178.38 1itw h ALA 16 N 1.49 0.69 -0.02 -0.75 0.00 -1.11 -1.31 119.26 118.25 1itw h ALA 16 Ca 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1itw h ALA 16 Cb 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1itw h ALA 16 CO -0.17 0.27 0.01 -0.07 0.00 0.00 0.00 179.25 179.29 1itw h LEU 17 N 0.72 0.03 -1.38 0.00 3.38 -0.60 -2.68 115.31 114.79 1itw h LEU 17 Ca 0.18 -0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.13 1itw h LEU 17 Cb 0.14 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1itw h LEU 17 CO -0.02 0.20 0.55 0.00 0.09 0.00 0.00 178.44 179.26 1itw h ALA 18 N 0.84 1.92 -0.05 1.53 0.00 -1.05 -0.89 119.26 121.56 1itw h ALA 18 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1itw h ALA 18 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1itw h ALA 18 CO -0.00 -0.15 -0.15 1.15 0.00 0.00 0.00 179.25 180.10 1itw h THR 19 N 0.61 1.14 0.00 0.00 2.02 -0.89 -1.38 112.91 114.40 1itw h THR 19 Ca 0.42 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1itw h THR 19 Cb 0.76 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1itw h THR 19 CO -0.18 0.18 -0.09 1.88 0.37 0.00 0.00 175.52 177.68 1itw h TYR 20 N 0.07 0.00 0.06 3.16 -1.99 -1.08 -0.94 116.97 116.25 1itw h TYR 20 Ca 0.01 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.40 1itw h TYR 20 Cb 0.31 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.00 1itw h TYR 20 CO 0.00 0.09 -1.92 0.45 -0.00 0.00 0.00 178.16 176.78 1itw n SER 21 N -3.97 2.02 -0.02 3.88 2.88 -0.73 -4.50 113.62 113.18 1itw n SER 21 Ca -0.02 0.23 -0.15 0.00 -1.33 0.00 0.00 58.87 57.59 1itw n SER 21 Cb 0.18 -0.82 -0.11 0.00 -0.75 0.00 0.00 64.21 62.71 1itw n SER 21 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1itw h LEU 22 N -0.32 0.31 -0.58 2.46 5.85 -1.20 -3.34 115.31 118.48 1itw h LEU 22 Ca -0.45 -0.71 0.12 0.00 0.84 0.00 0.00 57.88 57.67 1itw h LEU 22 Cb 1.78 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.61 1itw h LEU 22 CO -0.06 0.98 -0.10 0.25 -0.34 0.00 0.00 178.44 179.17 1itw h LEU 23 N -0.33 -0.45 -1.00 2.25 6.46 -1.42 0.10 115.31 120.93 1itw h LEU 23 Ca -0.03 0.17 0.12 0.00 -0.12 0.00 0.00 57.88 58.02 1itw h LEU 23 Cb 1.00 0.33 -0.08 0.00 -0.73 0.00 0.00 40.66 41.17 1itw h LEU 23 CO 0.06 -0.17 0.62 -0.65 -0.62 0.00 0.00 178.44 177.69 1itw h PRO 24 N 0.04 0.95 -0.39 5.25 0.11 -1.77 0.42 132.00 136.60 1itw h PRO 24 Ca 0.29 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.27 1itw h PRO 24 Cb 0.45 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1itw h PRO 24 CO -0.57 0.63 -0.02 0.82 -0.21 0.00 0.00 178.00 178.65 1itw h ILE 25 N 0.98 1.26 -0.78 4.15 2.04 -1.02 -1.35 117.51 122.80 1itw h ILE 25 Ca 0.50 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 65.31 1itw h ILE 25 Cb 0.49 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1itw h ILE 25 CO -0.27 0.35 0.51 0.40 0.00 0.00 0.00 178.15 179.15 1itw h ILE 26 N 0.52 1.20 -0.44 -0.67 2.04 0.30 -0.72 117.51 119.74 1itw h ILE 26 Ca 0.11 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 1itw h ILE 26 Cb 0.51 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1itw h ILE 26 CO 0.02 0.19 -0.16 0.11 0.00 0.00 0.00 178.15 178.31 1itw h LYS 27 N 1.05 0.84 -0.54 2.37 1.57 -0.82 -2.30 116.57 118.75 1itw h LYS 27 Ca 0.28 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1itw h LYS 27 Cb -0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1itw h LYS 27 CO -0.06 0.94 -0.01 0.00 -0.57 0.00 0.00 179.45 179.75 1itw h ALA 28 N 1.07 0.73 0.00 3.86 0.00 -0.64 -0.70 119.26 123.57 1itw h ALA 28 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1itw h ALA 28 Cb 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1itw h ALA 28 CO 0.05 0.56 -0.06 0.74 0.00 0.00 0.00 179.25 180.53 1itw h PHE 29 N 0.83 0.00 0.00 0.00 -1.00 -1.11 -3.31 116.94 112.35 1itw h PHE 29 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1itw h PHE 29 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1itw h PHE 29 CO 0.04 0.00 -0.92 0.25 -1.61 0.00 0.00 178.31 176.07 1itw n THR 30 N -3.04 0.00 0.01 -1.55 -2.24 -0.87 -4.69 114.28 101.90 1itw n THR 30 Ca 0.04 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 1itw n THR 30 Cb 0.53 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.56 1itw n THR 30 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1itw h GLY 31 N 3.94 -1.12 2.00 3.38 0.00 -1.21 -2.46 103.07 107.59 1itw h GLY 31 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1itw h GLY 31 CO 0.00 -0.22 0.00 -1.14 0.00 0.00 0.00 176.54 175.18 1itw n SER 32 N -5.34 0.34 -0.96 0.19 3.41 -1.26 -2.75 113.62 107.25 1itw n SER 32 Ca -0.06 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.18 1itw n SER 32 Cb 0.37 -0.67 0.16 0.00 -0.26 0.00 0.00 64.21 63.81 1itw n SER 32 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1itw n SER 33 N -1.89 2.65 -3.23 4.04 7.64 -0.93 -4.89 113.62 117.01 1itw n SER 33 Ca 0.02 -2.30 -0.19 0.00 1.01 0.00 0.00 58.87 57.41 1itw n SER 33 Cb 0.16 -0.49 0.07 0.00 -1.01 0.00 0.00 64.21 62.94 1itw n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1itw n GLY 34 N 0.42 -0.35 3.15 0.23 0.00 -1.11 -4.67 105.19 102.86 1itw n GLY 34 Ca 0.11 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1itw n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1itw s ILE 35 N -3.30 1.56 -0.22 -0.61 1.01 -1.23 -4.20 121.20 114.22 1itw s ILE 35 Ca 0.36 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 1itw s ILE 35 Cb -0.16 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1itw s ILE 35 CO 0.65 0.45 0.08 0.00 0.00 0.00 0.00 174.94 176.12 1itw s ALA 36 N 0.15 3.32 -0.29 9.38 0.00 0.11 -4.54 121.76 129.90 1itw s ALA 36 Ca -0.08 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1itw s ALA 36 Cb -0.13 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.95 1itw s ALA 36 CO 0.04 -0.18 0.06 0.08 0.00 0.00 0.00 175.76 175.76 1itw s VAL 37 N 1.04 3.72 0.32 0.00 1.01 -1.26 -0.36 120.40 124.86 1itw s VAL 37 Ca 0.05 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.26 1itw s VAL 37 Cb -0.14 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1itw s VAL 37 CO 0.03 0.05 0.09 -1.61 0.00 0.00 0.00 175.10 173.66 1itw s GLU 38 N 1.44 2.33 0.24 2.72 2.02 -0.42 -4.97 118.70 122.06 1itw s GLU 38 Ca 0.01 -1.52 0.11 0.00 0.02 0.00 0.00 54.97 53.59 1itw s GLU 38 Cb -0.18 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 31.86 1itw s GLU 38 CO 0.01 0.20 -0.13 0.95 0.02 0.00 0.00 175.26 176.31 1itw s THR 39 N -2.40 2.88 -0.04 3.63 -4.23 -1.26 0.22 115.64 114.44 1itw s THR 39 Ca 0.35 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1itw s THR 39 Cb -0.03 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.35 1itw s THR 39 CO 0.22 -0.29 0.08 -0.13 -0.54 0.00 0.00 174.62 173.96 1itw s ARG 40 N -3.28 0.02 -0.57 3.99 1.81 -0.97 -4.89 118.95 115.05 1itw s ARG 40 Ca 0.28 0.26 -0.22 0.00 -1.72 0.00 0.00 55.73 54.33 1itw s ARG 40 Cb -0.07 -0.20 0.06 0.00 -0.45 0.00 0.00 34.95 34.29 1itw s ARG 40 CO 0.16 -0.15 0.84 0.34 -0.68 0.00 0.00 175.30 175.80 1itw s ASP 41 N 1.03 6.25 -0.19 0.23 3.68 -1.26 -0.68 116.67 125.73 1itw s ASP 41 Ca -0.08 -0.78 0.16 0.00 2.13 0.00 0.00 52.55 53.97 1itw s ASP 41 Cb -0.11 -2.38 0.48 0.00 -1.45 0.00 0.00 42.92 39.45 1itw s ASP 41 CO -0.04 -1.18 1.37 2.30 0.13 0.00 0.00 175.17 177.75 1itw n ILE 42 N 5.90 2.26 -1.17 4.11 -5.35 -0.59 -4.52 119.36 119.99 1itw n ILE 42 Ca -0.03 -2.16 -0.31 0.00 -0.27 0.00 0.00 62.75 59.98 1itw n ILE 42 Cb 0.46 -0.27 0.10 0.00 -1.74 0.00 0.00 39.64 38.20 1itw n ILE 42 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1itw s SER 43 N -2.27 4.22 0.12 7.28 1.04 -1.11 -4.77 113.70 118.21 1itw s SER 43 Ca 0.41 1.91 -0.23 0.00 0.48 0.00 0.00 55.95 58.51 1itw s SER 43 Cb 0.34 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 1itw s SER 43 CO 0.06 -2.23 1.67 0.25 0.98 0.00 0.00 173.24 173.97 1itw h LEU 44 N -1.22 -0.46 -0.90 2.42 6.46 -1.88 0.13 115.31 119.87 1itw h LEU 44 Ca -0.44 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.37 1itw h LEU 44 Cb 1.24 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 41.33 1itw h LEU 44 CO 0.50 -0.21 0.47 0.00 -0.62 0.00 0.00 178.44 178.58 1itw h ALA 45 N 0.74 1.15 -0.71 1.25 0.00 -1.93 -1.54 119.26 118.22 1itw h ALA 45 Ca 0.06 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1itw h ALA 45 Cb 0.32 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1itw h ALA 45 CO -0.18 0.67 0.16 0.78 0.00 0.00 0.00 179.25 180.68 1itw h GLY 46 N 1.26 1.23 2.00 0.00 0.00 -1.74 -0.62 103.07 105.19 1itw h GLY 46 Ca 0.31 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1itw h GLY 46 CO -0.05 0.72 -0.50 3.21 0.00 0.00 0.00 176.54 179.93 1itw h ARG 47 N 1.08 0.00 -0.21 4.80 3.08 -0.70 -2.21 114.38 120.22 1itw h ARG 47 Ca 0.22 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.08 1itw h ARG 47 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1itw h ARG 47 CO 0.00 0.50 -0.60 -0.07 -1.07 0.00 0.00 179.97 178.73 1itw h LEU 48 N 0.00 0.90 -0.45 3.04 3.38 -0.90 -2.97 115.31 118.31 1itw h LEU 48 Ca -0.00 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 1itw h LEU 48 Cb 0.93 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1itw h LEU 48 CO 0.06 1.32 0.15 0.40 0.09 0.00 0.00 178.44 180.46 1itw h ILE 49 N 0.52 1.22 0.00 1.22 2.04 -0.94 -2.87 117.51 118.70 1itw h ILE 49 Ca -0.02 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1itw h ILE 49 Cb 1.22 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1itw h ILE 49 CO 0.13 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.54 1itw h ALA 50 N 1.00 1.00 0.00 1.87 0.00 -1.45 -3.15 119.26 118.54 1itw h ALA 50 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1itw h ALA 50 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1itw h ALA 50 CO -0.01 0.00 -0.58 1.15 0.00 0.00 0.00 179.25 179.81 1itw h THR 51 N 0.00 0.17 -1.97 0.00 2.02 -1.33 -3.39 112.91 108.41 1itw h THR 51 Ca 0.00 -1.28 -0.55 0.00 0.77 0.00 0.00 66.41 65.35 1itw h THR 51 Cb 0.47 1.88 -0.41 0.00 -1.74 0.00 0.00 68.15 68.35 1itw h THR 51 CO 0.00 0.10 -0.82 0.49 0.37 0.00 0.00 175.52 175.66 1itw n PHE 52 N -2.94 2.91 -0.20 3.16 3.01 -1.19 -4.91 117.46 117.30 1itw n PHE 52 Ca 0.01 -3.69 0.09 0.00 1.01 0.00 0.00 57.45 54.87 1itw n PHE 52 Cb 0.60 -0.38 0.38 0.00 -0.01 0.00 0.00 39.48 40.07 1itw n PHE 52 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1itw h PRO 53 N 2.91 0.66 0.00 -1.08 0.11 -1.76 -2.33 132.00 130.51 1itw h PRO 53 Ca 0.14 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1itw h PRO 53 Cb 0.73 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 1itw h PRO 53 CO 0.74 0.44 -0.02 1.05 -0.21 0.00 0.00 178.00 180.00 1itw h GLU 54 N 0.68 0.00 -0.04 1.05 9.09 -1.94 -1.34 114.58 122.08 1itw h GLU 54 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 1itw h GLU 54 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 1itw h GLU 54 CO -0.13 0.02 0.00 0.66 0.05 0.00 0.00 179.01 179.61 1itw n TYR 55 N -4.05 0.04 -4.34 2.06 4.02 -0.88 -4.94 117.16 109.07 1itw n TYR 55 Ca -0.03 -0.02 -0.25 0.00 -0.01 0.00 0.00 57.90 57.59 1itw n TYR 55 Cb 0.10 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.34 1itw n TYR 55 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1itw s LEU 56 N -1.91 2.93 0.75 7.72 1.43 -0.51 -4.07 118.68 125.03 1itw s LEU 56 Ca 0.38 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1itw s LEU 56 Cb 0.20 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.95 1itw s LEU 56 CO 0.32 0.05 1.12 0.42 0.23 0.00 0.00 176.35 178.49 1itw s THR 57 N -2.11 3.04 0.41 5.49 -4.23 -1.26 -4.88 115.64 112.09 1itw s THR 57 Ca 0.28 0.34 0.32 0.00 -1.18 0.00 0.00 61.69 61.44 1itw s THR 57 Cb -0.07 -3.28 0.34 0.00 1.34 0.00 0.00 72.50 70.83 1itw s THR 57 CO 0.16 -0.44 2.12 0.44 -0.54 0.00 0.00 174.62 176.36 1itw h ASP 58 N -0.85 0.00 1.74 3.99 3.32 -1.96 -1.93 116.42 120.73 1itw h ASP 58 Ca -0.46 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 1itw h ASP 58 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1itw h ASP 58 CO 0.63 0.08 -0.26 0.74 -1.72 0.00 0.00 179.24 178.71 1itw h THR 59 N 0.00 0.44 0.00 0.35 2.02 -2.03 -3.30 112.91 110.39 1itw h THR 59 Ca -0.00 -1.62 -0.16 0.00 0.77 0.00 0.00 66.41 65.40 1itw h THR 59 Cb 0.30 2.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1itw h THR 59 CO 0.01 0.25 -1.31 1.56 0.37 0.00 0.00 175.52 176.40 1itw h GLN 60 N 0.00 0.00 -6.99 6.66 4.20 -1.72 -3.47 115.11 113.79 1itw h GLN 60 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1itw h GLN 60 Cb 1.20 0.00 0.11 0.00 0.30 0.00 0.00 27.48 29.09 1itw h GLN 60 CO 0.03 0.32 0.68 0.15 -0.67 0.00 0.00 178.83 179.34 1itw s LYS 61 N -2.92 3.67 0.04 1.46 1.02 -1.03 -4.97 119.74 117.01 1itw s LYS 61 Ca -0.02 2.35 0.00 0.00 0.02 0.00 0.00 55.97 58.33 1itw s LYS 61 Cb 0.09 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 1itw s LYS 61 CO 0.80 -0.80 -0.04 0.96 -0.92 0.00 0.00 175.35 175.35 1itw s ILE 62 N -1.23 0.30 0.49 2.17 -4.36 -1.26 -5.05 121.20 112.25 1itw s ILE 62 Ca 0.61 -1.32 -0.22 0.00 -0.26 0.00 0.00 60.65 59.46 1itw s ILE 62 Cb -0.42 -0.85 -0.07 0.00 1.25 0.00 0.00 42.46 42.37 1itw s ILE 62 CO 0.54 -0.66 1.21 -0.94 0.24 0.00 0.00 174.94 175.33 1itw s SER 63 N -2.09 5.92 -1.22 4.36 1.04 -1.26 -4.53 113.70 115.93 1itw s SER 63 Ca -0.05 2.41 -0.21 0.00 0.48 0.00 0.00 55.95 58.59 1itw s SER 63 Cb -0.03 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.48 1itw s SER 63 CO -0.04 -1.09 1.81 -0.62 0.98 0.00 0.00 173.24 174.28 1itw s ASP 64 N -1.28 6.01 0.45 7.02 2.15 -1.26 -4.80 116.67 124.95 1itw s ASP 64 Ca 0.66 -1.98 0.17 0.00 0.43 0.00 0.00 52.55 51.83 1itw s ASP 64 Cb -0.31 -2.58 1.05 0.00 -0.30 0.00 0.00 42.92 40.77 1itw s ASP 64 CO 0.37 -2.04 1.97 0.44 -0.17 0.00 0.00 175.17 175.74 1itw h ASP 65 N 8.76 0.00 -0.24 -0.34 3.32 -1.91 -2.41 116.42 123.61 1itw h ASP 65 Ca 0.32 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 1itw h ASP 65 Cb 0.91 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1itw h ASP 65 CO 1.35 0.21 0.03 0.25 -1.72 0.00 0.00 179.24 179.37 1itw h LEU 66 N 0.00 0.39 -1.01 1.55 7.12 -1.87 0.10 115.31 121.59 1itw h LEU 66 Ca -0.00 -0.27 -0.06 0.00 0.13 0.00 0.00 57.88 57.68 1itw h LEU 66 Cb 0.41 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.42 1itw h LEU 66 CO 0.03 0.56 0.09 0.00 -0.13 0.00 0.00 178.44 178.98 1itw h ALA 67 N 0.84 1.19 -0.51 1.25 0.00 -1.94 -2.12 119.26 117.98 1itw h ALA 67 Ca 0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1itw h ALA 67 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1itw h ALA 67 CO 0.01 0.54 -0.05 1.49 0.00 0.00 0.00 179.25 181.24 1itw h GLU 68 N 0.77 0.93 -0.59 0.00 4.81 -1.15 -2.76 114.58 116.59 1itw h GLU 68 Ca 0.16 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1itw h GLU 68 Cb 0.34 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1itw h GLU 68 CO 0.00 0.97 0.22 -0.07 -0.73 0.00 0.00 179.01 179.41 1itw h LEU 69 N 0.79 0.78 -0.72 1.64 3.38 -0.44 -0.78 115.31 119.97 1itw h LEU 69 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1itw h LEU 69 Cb 0.59 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1itw h LEU 69 CO 0.04 0.71 0.41 1.23 0.09 0.00 0.00 178.44 180.92 1itw h GLY 70 N 0.97 1.05 0.73 0.83 0.00 -1.15 0.21 103.07 105.71 1itw h GLY 70 Ca 0.20 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1itw h GLY 70 CO -0.02 0.44 -0.01 0.50 0.00 0.00 0.00 176.54 177.46 1itw h LYS 71 N 0.98 0.17 -0.73 4.80 1.79 -1.18 -3.00 116.57 119.41 1itw h LYS 71 Ca 0.26 -0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.77 1itw h LYS 71 Cb -0.00 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.56 1itw h LYS 71 CO -0.04 0.45 0.36 1.25 -1.08 0.00 0.00 179.45 180.39 1itw h LEU 72 N -0.13 0.47 -0.24 2.94 6.46 -0.83 0.33 115.31 124.31 1itw h LEU 72 Ca 0.03 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1itw h LEU 72 Cb 0.38 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1itw h LEU 72 CO 0.01 0.26 0.00 0.00 -0.62 0.00 0.00 178.44 178.09 1itw n ALA 73 N -2.41 1.20 -0.45 1.25 0.00 0.71 -1.29 120.51 119.51 1itw n ALA 73 Ca 0.12 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1itw n ALA 73 Cb 0.29 -1.12 0.33 0.00 0.00 0.00 0.00 19.45 18.95 1itw n ALA 73 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1itw n THR 74 N -1.65 1.28 -4.45 0.00 5.66 0.10 -4.67 114.28 110.55 1itw n THR 74 Ca 0.01 -1.07 -0.25 0.00 -3.05 0.00 0.00 64.05 59.69 1itw n THR 74 Cb 0.06 0.38 -0.11 0.00 -1.55 0.00 0.00 70.33 69.11 1itw n THR 74 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1itw s THR 75 N -1.28 2.43 0.25 1.09 -4.23 -0.41 -4.80 115.64 108.69 1itw s THR 75 Ca 0.49 -2.26 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1itw s THR 75 Cb 0.28 -2.23 0.26 0.00 1.34 0.00 0.00 72.50 72.14 1itw s THR 75 CO 0.30 -0.29 1.92 -0.65 -0.54 0.00 0.00 174.62 175.36 1itw h PRO 76 N 2.64 1.27 0.00 3.99 0.11 -1.85 -2.94 132.00 135.22 1itw h PRO 76 Ca -0.42 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1itw h PRO 76 Cb 1.24 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1itw h PRO 76 CO 0.55 0.84 0.00 -0.25 -0.21 0.00 0.00 178.00 178.93 1itw n ASP 77 N -4.42 0.00 -4.71 -2.05 10.43 -1.26 -2.82 116.55 111.71 1itw n ASP 77 Ca 0.13 -1.21 -0.42 0.00 2.57 0.00 0.00 54.79 55.86 1itw n ASP 77 Cb 0.06 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.99 1itw n ASP 77 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1itw s ALA 78 N -2.00 3.91 -0.31 2.24 0.00 -1.11 -4.86 121.76 119.62 1itw s ALA 78 Ca 0.29 1.56 0.01 0.00 0.00 0.00 0.00 51.96 53.82 1itw s ALA 78 Cb 0.13 -3.71 0.14 0.00 0.00 0.00 0.00 23.12 19.69 1itw s ALA 78 CO 0.22 -0.98 0.33 1.21 0.00 0.00 0.00 175.76 176.54 1itw s ASN 79 N 1.46 1.43 -0.06 0.00 3.84 -1.24 0.53 114.94 120.90 1itw s ASN 79 Ca 0.76 -0.98 0.05 0.00 0.21 0.00 0.00 52.86 52.91 1itw s ASN 79 Cb -0.49 0.57 -0.01 0.00 -0.55 0.00 0.00 41.25 40.77 1itw s ASN 79 CO 0.33 -0.35 -0.23 -0.63 -2.79 0.00 0.00 177.10 173.43 1itw s ILE 80 N 2.10 1.91 -0.33 -5.21 1.01 0.82 -0.63 121.20 120.87 1itw s ILE 80 Ca 0.12 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 1itw s ILE 80 Cb -0.14 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1itw s ILE 80 CO -0.24 0.53 0.11 -0.63 0.00 0.00 0.00 174.94 174.71 1itw s ILE 81 N -0.06 3.98 -0.27 2.92 1.01 0.06 0.27 121.20 129.11 1itw s ILE 81 Ca -0.05 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1itw s ILE 81 Cb -0.14 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1itw s ILE 81 CO 0.04 -0.08 0.09 -0.75 0.00 0.00 0.00 174.94 174.24 1itw s LYS 82 N 1.47 3.46 0.35 2.79 2.47 -0.22 -2.37 119.74 127.69 1itw s LYS 82 Ca 0.01 -0.61 -0.01 0.00 -1.56 0.00 0.00 55.97 53.80 1itw s LYS 82 Cb -0.18 -3.39 -0.04 0.00 -1.46 0.00 0.00 37.83 32.76 1itw s LYS 82 CO 0.03 -0.29 0.57 -0.51 0.16 0.00 0.00 175.35 175.31 1itw s LEU 83 N 1.59 3.99 0.37 5.43 1.02 -1.26 -0.74 118.68 129.08 1itw s LEU 83 Ca 0.05 0.53 -0.27 0.00 0.02 0.00 0.00 54.13 54.46 1itw s LEU 83 Cb -0.16 -3.39 -0.11 0.00 0.02 0.00 0.00 46.19 42.55 1itw s LEU 83 CO 0.04 -0.30 1.31 -2.65 0.02 0.00 0.00 176.35 174.77 1itw n PRO 84 N -1.69 2.14 -4.33 1.29 -0.02 -1.26 -4.94 135.00 126.19 1itw n PRO 84 Ca -0.04 0.75 -0.19 0.00 -2.02 0.00 0.00 63.50 62.01 1itw n PRO 84 Cb 0.56 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1itw n PRO 84 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1itw s ASN 85 N -0.35 1.51 0.02 2.55 4.22 -1.26 -4.30 114.94 117.34 1itw s ASN 85 Ca 0.57 -1.57 -0.26 0.00 -2.14 0.00 0.00 52.86 49.46 1itw s ASN 85 Cb -0.54 0.41 -0.05 0.00 1.28 0.00 0.00 41.25 42.35 1itw s ASN 85 CO 0.61 -0.91 0.79 -0.63 -2.04 0.00 0.00 177.10 174.93 1itw s ILE 86 N -3.61 4.79 -0.88 0.54 1.01 -1.26 -4.52 121.20 117.28 1itw s ILE 86 Ca 0.36 1.68 -0.06 0.00 0.00 0.00 0.00 60.65 62.63 1itw s ILE 86 Cb 0.05 -4.14 0.22 0.00 0.01 0.00 0.00 42.46 38.60 1itw s ILE 86 CO 0.18 0.32 0.78 -0.44 0.00 0.00 0.00 174.94 175.78 1itw s SER 87 N 0.24 6.26 0.10 3.58 0.01 -1.26 -4.85 113.70 117.77 1itw s SER 87 Ca 0.41 -3.36 -0.36 0.00 1.31 0.00 0.00 55.95 53.94 1itw s SER 87 Cb -0.20 -2.01 -0.17 0.00 0.21 0.00 0.00 66.02 63.85 1itw s SER 87 CO 0.23 -0.30 1.31 0.00 0.41 0.00 0.00 173.24 174.89 1itw n ALA 88 N 2.90 -0.97 -1.98 1.44 0.00 -1.23 -4.39 120.51 116.29 1itw n ALA 88 Ca 0.18 0.51 -0.21 0.00 0.00 0.00 0.00 53.44 53.92 1itw n ALA 88 Cb 0.39 -2.07 0.04 0.00 0.00 0.00 0.00 19.45 17.82 1itw n ALA 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1itw s SER 89 N 0.41 5.22 0.16 0.00 1.04 -1.26 -0.45 113.70 118.80 1itw s SER 89 Ca 0.83 -0.07 -0.16 0.00 0.48 0.00 0.00 55.95 57.03 1itw s SER 89 Cb -0.94 -0.78 0.05 0.00 0.10 0.00 0.00 66.02 64.44 1itw s SER 89 CO 0.48 -1.19 1.79 0.58 0.98 0.00 0.00 173.24 175.87 1itw h VAL 90 N 0.05 1.00 -0.71 5.02 2.07 -1.99 -0.20 116.25 121.49 1itw h VAL 90 Ca -0.41 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1itw h VAL 90 Cb 1.29 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 1itw h VAL 90 CO 0.51 0.08 0.36 -0.65 0.02 0.00 0.00 177.57 177.89 1itw h PRO 91 N 0.43 0.60 -0.55 1.57 0.11 -2.00 -0.27 132.00 131.90 1itw h PRO 91 Ca 0.16 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 1itw h PRO 91 Cb 0.05 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 1itw h PRO 91 CO -0.10 0.40 -0.06 1.96 -0.21 0.00 0.00 178.00 179.99 1itw h GLN 92 N 0.62 0.98 -0.53 1.05 4.20 -1.79 -1.61 115.11 118.03 1itw h GLN 92 Ca 0.35 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1itw h GLN 92 Cb 0.35 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1itw h GLN 92 CO -0.26 1.00 0.20 1.25 -0.67 0.00 0.00 178.83 180.36 1itw h LEU 93 N 0.89 0.73 -0.44 1.46 5.85 -0.21 -1.24 115.31 122.36 1itw h LEU 93 Ca 0.15 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1itw h LEU 93 Cb 0.60 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1itw h LEU 93 CO 0.04 0.71 -0.01 0.11 -0.34 0.00 0.00 178.44 178.94 1itw h LYS 94 N 0.71 0.79 -0.77 1.25 1.57 -0.95 -0.57 116.57 118.61 1itw h LYS 94 Ca 0.18 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1itw h LYS 94 Cb 0.21 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1itw h LYS 94 CO -0.01 0.86 0.39 0.00 -0.57 0.00 0.00 179.45 180.12 1itw h ALA 95 N 0.90 1.23 -0.28 3.86 0.00 -1.13 0.71 119.26 124.54 1itw h ALA 95 Ca 0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1itw h ALA 95 Cb 0.52 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1itw h ALA 95 CO 0.03 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.57 1itw h ALA 96 N 1.34 0.42 -0.18 0.00 0.00 -1.05 -1.54 119.26 118.24 1itw h ALA 96 Ca 0.27 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1itw h ALA 96 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1itw h ALA 96 CO -0.04 0.45 0.12 0.82 0.00 0.00 0.00 179.25 180.60 1itw h ILE 97 N 0.45 1.06 -0.84 0.00 2.04 -0.69 -2.05 117.51 117.48 1itw h ILE 97 Ca 0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1itw h ILE 97 Cb 0.88 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1itw h ILE 97 CO 0.07 0.06 0.47 0.50 0.00 0.00 0.00 178.15 179.25 1itw h LYS 98 N 0.23 1.16 -0.50 2.37 3.64 -0.82 -0.20 116.57 122.45 1itw h LYS 98 Ca 0.07 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1itw h LYS 98 Cb 0.00 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1itw h LYS 98 CO -0.01 0.85 0.27 1.49 -2.27 0.00 0.00 179.45 179.78 1itw h GLU 99 N 1.16 0.70 -0.61 1.90 4.81 -1.07 -1.32 114.58 120.14 1itw h GLU 99 Ca 0.30 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1itw h GLU 99 Cb 0.01 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1itw h GLU 99 CO -0.05 0.55 0.07 -0.07 -0.73 0.00 0.00 179.01 178.78 1itw h LEU 100 N 0.66 0.97 -0.77 1.64 3.38 -1.01 -2.39 115.31 117.78 1itw h LEU 100 Ca 0.18 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1itw h LEU 100 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1itw h LEU 100 CO -0.03 0.99 0.30 1.56 0.09 0.00 0.00 178.44 181.35 1itw h GLN 101 N 0.94 1.16 0.00 1.13 4.20 -0.70 -0.54 115.11 121.30 1itw h GLN 101 Ca 0.18 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1itw h GLN 101 Cb 0.45 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1itw h GLN 101 CO 0.02 0.95 -0.07 1.96 -0.67 0.00 0.00 178.83 181.01 1itw h GLN 102 N 1.12 0.00 -0.19 1.46 4.20 -0.98 -2.06 115.11 118.65 1itw h GLN 102 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1itw h GLN 102 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1itw h GLN 102 CO -0.02 0.07 0.00 1.04 -0.67 0.00 0.00 178.83 179.25 1itw n GLN 103 N -3.28 1.82 0.00 1.46 6.02 -0.69 -4.91 117.38 117.80 1itw n GLN 103 Ca -0.01 -1.23 0.00 0.00 -0.01 0.00 0.00 57.00 55.75 1itw n GLN 103 Cb 0.28 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1itw n GLN 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1itw n GLY 104 N 1.17 0.50 3.61 1.08 0.00 -0.78 -5.06 105.19 105.72 1itw n GLY 104 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1itw n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1itw s TYR 105 N -2.00 3.03 -0.09 1.61 1.51 -0.30 -4.92 117.35 116.20 1itw s TYR 105 Ca 0.00 0.85 -0.06 0.00 -1.01 0.00 0.00 57.07 56.85 1itw s TYR 105 Cb 0.00 -3.85 -0.26 0.00 -0.11 0.00 0.00 41.96 37.74 1itw s TYR 105 CO 0.00 -0.92 3.59 1.63 -1.11 0.00 0.00 175.55 178.73 1itw n LYS 106 N 7.05 2.09 -2.45 -0.62 5.02 -1.26 -3.46 118.16 124.53 1itw n LYS 106 Ca 0.09 -1.06 -0.36 0.00 -2.02 0.00 0.00 58.31 54.96 1itw n LYS 106 Cb 0.48 -2.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 1itw n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1itw s LEU 107 N 0.01 4.00 0.61 -0.35 1.43 -1.26 -4.83 118.68 118.28 1itw s LEU 107 Ca 0.67 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.69 1itw s LEU 107 Cb 0.31 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1itw s LEU 107 CO -0.00 -0.73 1.08 -2.16 0.23 0.00 0.00 176.35 174.76 1itw s PRO 108 N -2.81 3.17 0.76 1.29 0.04 -1.26 -4.95 135.00 131.23 1itw s PRO 108 Ca 0.63 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1itw s PRO 108 Cb -0.22 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1itw s PRO 108 CO 0.27 -0.94 1.10 -0.51 0.04 0.00 0.00 177.00 176.96 1itw s ASP 109 N -2.66 4.53 -0.39 6.66 1.01 -1.26 -4.96 116.67 119.61 1itw s ASP 109 Ca 0.65 1.89 -0.25 0.00 0.71 0.00 0.00 52.55 55.55 1itw s ASP 109 Cb -0.18 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.24 1itw s ASP 109 CO 0.37 -2.02 0.89 -0.47 0.21 0.00 0.00 175.17 174.16 1itw s TYR 110 N -2.76 3.05 -0.59 4.23 5.04 -1.26 -4.89 117.35 120.17 1itw s TYR 110 Ca 0.63 0.63 -0.24 0.00 -2.44 0.00 0.00 57.07 55.65 1itw s TYR 110 Cb -0.18 -3.66 0.05 0.00 0.35 0.00 0.00 41.96 38.52 1itw s TYR 110 CO 0.53 -0.86 0.96 -1.25 -1.34 0.00 0.00 175.55 173.59 1itw s PRO 111 N 3.44 3.26 0.27 4.97 0.04 -1.26 -4.90 135.00 140.82 1itw s PRO 111 Ca 0.36 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1itw s PRO 111 Cb -0.12 -4.11 0.37 0.00 0.04 0.00 0.00 34.50 30.68 1itw s PRO 111 CO 0.20 -1.62 1.73 0.93 0.04 0.00 0.00 177.00 178.28 1itw h GLU 112 N 9.42 0.63 -2.39 4.56 5.08 -1.96 -3.34 114.58 126.60 1itw h GLU 112 Ca -0.27 -0.21 -0.59 0.00 -1.00 0.00 0.00 59.36 57.29 1itw h GLU 112 Cb 1.07 -0.05 -0.41 0.00 0.50 0.00 0.00 28.75 29.86 1itw h GLU 112 CO 1.12 0.76 -0.78 0.39 -1.00 0.00 0.00 179.01 179.50 1itw n GLU 113 N -4.16 1.53 -1.69 2.33 1.02 -1.26 -5.11 120.64 113.31 1itw n GLU 113 Ca 0.01 -4.03 -0.44 0.00 -0.02 0.00 0.00 57.16 52.68 1itw n GLU 113 Cb 0.36 -1.91 -0.02 0.00 -0.02 0.00 0.00 31.44 29.85 1itw n GLU 113 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1itw n PRO 114 N 1.58 2.14 0.00 3.49 -0.02 -1.25 -4.91 135.00 136.02 1itw n PRO 114 Ca 0.25 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1itw n PRO 114 Cb 0.44 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1itw n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1itw n LYS 115 N 1.68 -0.32 -4.22 -0.52 4.76 -1.26 -4.91 118.16 113.37 1itw n LYS 115 Ca 0.09 -0.30 -0.14 0.00 -2.87 0.00 0.00 58.31 55.09 1itw n LYS 115 Cb 0.33 -0.74 -0.10 0.00 -1.84 0.00 0.00 35.03 32.68 1itw n LYS 115 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1itw s THR 116 N -0.04 1.08 0.25 -0.18 -4.23 -1.26 -5.05 115.64 106.21 1itw s THR 116 Ca 0.00 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1itw s THR 116 Cb 0.00 -1.63 0.22 0.00 1.34 0.00 0.00 72.50 72.44 1itw s THR 116 CO 0.00 -0.65 1.84 0.44 -0.54 0.00 0.00 174.62 175.71 1itw h ASP 117 N 3.16 0.79 -0.31 3.99 3.45 -1.99 -0.99 116.42 124.52 1itw h ASP 117 Ca -0.37 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.11 1itw h ASP 117 Cb 1.19 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.82 1itw h ASP 117 CO 0.58 0.48 0.15 0.74 -1.57 0.00 0.00 179.24 179.62 1itw h THR 118 N 0.91 1.16 -0.63 0.35 2.02 -1.99 -1.45 112.91 113.29 1itw h THR 118 Ca 0.40 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1itw h THR 118 Cb 0.27 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1itw h THR 118 CO -0.21 0.17 0.18 -0.33 0.37 0.00 0.00 175.52 175.70 1itw h GLU 119 N 0.37 0.96 -0.52 6.66 5.08 -1.85 -0.99 114.58 124.28 1itw h GLU 119 Ca 0.11 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1itw h GLU 119 Cb 0.13 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1itw h GLU 119 CO -0.01 0.83 0.00 0.87 -1.00 0.00 0.00 179.01 179.70 1itw h LYS 120 N 0.92 0.92 -0.40 2.33 1.57 -0.96 0.53 116.57 121.48 1itw h LYS 120 Ca 0.20 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 1itw h LYS 120 Cb 0.28 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1itw h LYS 120 CO -0.01 0.94 -0.35 0.22 -0.57 0.00 0.00 179.45 179.68 1itw h ASP 121 N 0.79 0.98 -0.27 0.86 1.82 -1.06 -1.95 116.42 117.58 1itw h ASP 121 Ca 0.15 -0.43 -0.03 0.00 -0.39 0.00 0.00 57.03 56.33 1itw h ASP 121 Cb 0.52 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 1itw h ASP 121 CO 0.03 1.22 0.04 0.58 -1.61 0.00 0.00 179.24 179.50 1itw h VAL 122 N 0.77 1.23 -0.93 2.25 2.07 -1.05 -1.57 116.25 119.02 1itw h VAL 122 Ca 0.07 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1itw h VAL 122 Cb 0.93 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1itw h VAL 122 CO 0.09 0.25 0.59 0.50 0.02 0.00 0.00 177.57 179.02 1itw h LYS 123 N 0.27 1.24 -0.75 1.57 3.64 -0.86 -0.53 116.57 121.14 1itw h LYS 123 Ca 0.08 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1itw h LYS 123 Cb 0.34 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1itw h LYS 123 CO 0.01 0.85 0.35 0.00 -2.27 0.00 0.00 179.45 178.38 1itw h ALA 124 N 1.32 0.97 0.22 5.00 0.00 -1.17 0.59 119.26 126.19 1itw h ALA 124 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1itw h ALA 124 Cb -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1itw h ALA 124 CO -0.07 0.55 -0.11 0.00 0.00 0.00 0.00 179.25 179.62 1itw h ARG 125 N 1.06 -0.29 -0.96 0.00 2.47 -0.64 -3.09 114.38 112.93 1itw h ARG 125 Ca 0.26 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1itw h ARG 125 Cb 0.13 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.47 1itw h ARG 125 CO -0.03 -0.10 0.61 1.88 0.56 0.00 0.00 179.97 182.89 1itw h TYR 126 N -0.42 1.23 0.00 3.04 0.99 -0.93 -2.61 116.97 118.27 1itw h TYR 126 Ca -0.03 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1itw h TYR 126 Cb 0.32 -0.41 -0.00 0.00 1.00 0.00 0.00 36.73 37.64 1itw h TYR 126 CO -0.03 0.79 -0.02 -0.44 -0.00 0.00 0.00 178.16 178.46 1itw h ASP 127 N 1.31 0.00 1.44 3.88 3.32 -0.81 0.70 116.42 126.27 1itw h ASP 127 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1itw h ASP 127 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1itw h ASP 127 CO -0.07 0.02 -0.05 0.29 -1.72 0.00 0.00 179.24 177.71 1itw n LYS 128 N -3.40 0.27 -0.05 3.56 5.02 -0.98 -3.62 118.16 118.96 1itw n LYS 128 Ca -0.02 0.21 -0.11 0.00 -2.02 0.00 0.00 58.31 56.37 1itw n LYS 128 Cb 0.13 -1.81 -0.15 0.00 -0.02 0.00 0.00 35.03 33.19 1itw n LYS 128 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1itw n ILE 129 N -2.28 1.55 -1.90 -0.18 2.08 0.19 -4.87 119.36 113.96 1itw n ILE 129 Ca 0.05 -0.79 -0.30 0.00 0.56 0.00 0.00 62.75 62.27 1itw n ILE 129 Cb 0.43 -0.94 0.06 0.00 -0.75 0.00 0.00 39.64 38.45 1itw n ILE 129 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1itw s LYS 130 N -2.56 2.47 1.39 0.38 -2.85 -0.88 -4.68 119.74 113.01 1itw s LYS 130 Ca -0.09 0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.18 1itw s LYS 130 Cb 0.07 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 1itw s LYS 130 CO 0.81 -1.27 0.00 0.41 0.10 0.00 0.00 175.35 175.40 1itw n GLY 131 N -3.14 -1.86 3.56 0.59 0.00 0.40 -4.44 105.19 100.31 1itw n GLY 131 Ca 0.07 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1itw n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1itw n SER 132 N 0.58 4.78 0.05 1.61 2.88 -1.26 -3.54 113.62 118.71 1itw n SER 132 Ca 0.00 -2.90 0.10 0.00 -1.33 0.00 0.00 58.87 54.74 1itw n SER 132 Cb 0.00 -1.75 -0.08 0.00 -0.75 0.00 0.00 64.21 61.63 1itw n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1itw n ALA 133 N 8.80 2.59 -0.07 -1.46 0.00 -1.26 -4.59 120.51 124.52 1itw n ALA 133 Ca 0.49 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1itw n ALA 133 Cb 0.46 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 1itw n ALA 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1itw h VAL 134 N 0.00 0.87 -0.86 0.00 2.07 -1.92 -3.39 116.25 113.03 1itw h VAL 134 Ca -0.02 -1.76 0.17 0.00 0.82 0.00 0.00 66.70 65.91 1itw h VAL 134 Cb 1.05 1.75 -0.10 0.00 -1.52 0.00 0.00 31.29 32.47 1itw h VAL 134 CO 0.00 0.29 0.42 0.78 0.02 0.00 0.00 177.57 179.08 1itw h ASN 135 N -1.00 0.45 -0.35 0.57 2.35 -1.98 -1.14 115.58 114.48 1itw h ASN 135 Ca -0.08 0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1itw h ASN 135 Cb 0.73 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 1itw h ASN 135 CO -0.05 0.15 0.24 -0.65 -1.65 0.00 0.00 177.43 175.47 1itw h PRO 136 N 0.55 0.24 0.14 0.81 0.11 -1.81 -0.78 132.00 131.26 1itw h PRO 136 Ca 0.49 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 66.27 1itw h PRO 136 Cb 0.77 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1itw h PRO 136 CO -0.41 0.16 -1.52 0.28 -0.21 0.00 0.00 178.00 176.30 1itw h VAL 137 N 0.25 1.18 0.00 3.15 2.07 -1.41 -3.38 116.25 118.11 1itw h VAL 137 Ca 0.15 -2.79 -0.20 0.00 0.82 0.00 0.00 66.70 64.68 1itw h VAL 137 Cb 0.30 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 1itw h VAL 137 CO -0.03 0.83 -1.18 -0.07 0.02 0.00 0.00 177.57 177.14 1itw h LEU 138 N 0.08 0.00 -6.06 2.57 3.38 -1.20 -3.42 115.31 110.66 1itw h LEU 138 Ca -0.24 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.04 1itw h LEU 138 Cb 2.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1itw h LEU 138 CO 0.18 0.83 2.95 0.54 0.09 0.00 0.00 178.44 183.02 1itw n ARG 139 N -3.16 2.52 -1.50 1.13 1.74 -0.32 -4.67 116.66 112.41 1itw n ARG 139 Ca -0.06 -2.35 -0.33 0.00 -0.77 0.00 0.00 57.85 54.34 1itw n ARG 139 Cb 0.91 -3.14 0.04 0.00 -1.02 0.00 0.00 32.46 29.25 1itw n ARG 139 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1itw n GLU 140 N 6.15 2.55 -3.91 5.56 -0.58 -1.26 -2.84 120.64 126.31 1itw n GLU 140 Ca 0.53 -3.00 -0.01 0.00 -0.42 0.00 0.00 57.16 54.26 1itw n GLU 140 Cb 0.38 -2.17 0.02 0.00 -0.57 0.00 0.00 31.44 29.09 1itw n GLU 140 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1itw s GLY 141 N -0.97 0.01 0.61 0.62 0.00 -1.26 -2.09 107.32 104.23 1itw s GLY 141 Ca 0.55 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 45.14 1itw s GLY 141 CO -0.18 3.47 0.84 -1.31 0.00 0.00 0.00 173.10 175.91 1itw s ASN 142 N -3.53 4.91 -0.17 1.64 0.01 -1.26 -2.47 114.94 114.08 1itw s ASN 142 Ca 0.24 -0.39 -0.06 0.00 -0.71 0.00 0.00 52.86 51.94 1itw s ASN 142 Cb -0.02 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.37 1itw s ASN 142 CO 0.03 -1.43 0.02 -0.55 -1.51 0.00 0.00 177.10 173.66 1itw s SER 143 N -4.60 5.31 -0.63 -1.22 0.15 0.30 -3.71 113.70 109.31 1itw s SER 143 Ca 0.62 0.00 0.05 0.00 0.70 0.00 0.00 55.95 57.32 1itw s SER 143 Cb -0.07 -1.89 0.16 0.00 -1.71 0.00 0.00 66.02 62.50 1itw s SER 143 CO 0.40 0.17 0.41 -0.62 1.20 0.00 0.00 173.24 174.80 1itw s ASP 144 N 0.35 4.54 -0.15 5.45 2.15 0.05 -0.90 116.67 128.15 1itw s ASP 144 Ca 0.00 -3.53 -0.05 0.00 0.43 0.00 0.00 52.55 49.40 1itw s ASP 144 Cb -0.13 -1.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.87 1itw s ASP 144 CO 0.01 -0.14 0.03 -0.13 -0.17 0.00 0.00 175.17 174.77 1itw s ARG 145 N -0.99 3.70 -0.23 4.34 0.52 -0.97 -1.93 118.95 123.38 1itw s ARG 145 Ca 0.22 -0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.74 1itw s ARG 145 Cb -0.12 -3.05 0.16 0.00 0.52 0.00 0.00 34.95 32.46 1itw s ARG 145 CO -0.11 0.36 1.21 -0.98 0.02 0.00 0.00 175.30 175.80 1itw s ARG 146 N 0.08 0.29 0.38 3.54 1.70 -0.86 -2.05 118.95 122.02 1itw s ARG 146 Ca 0.03 0.05 -0.24 0.00 -0.47 0.00 0.00 55.73 55.11 1itw s ARG 146 Cb -0.13 0.13 -0.10 0.00 -0.57 0.00 0.00 34.95 34.29 1itw s ARG 146 CO 0.01 -0.09 0.98 0.00 -1.08 0.00 0.00 175.30 175.13 1itw s ALA 147 N -1.16 3.12 0.62 7.88 0.00 -1.26 -0.97 121.76 129.99 1itw s ALA 147 Ca 0.05 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 1itw s ALA 147 Cb -0.01 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1itw s ALA 147 CO -0.04 0.02 1.15 -2.14 0.00 0.00 0.00 175.76 174.74 1itw s PRO 148 N -2.48 2.92 0.37 0.00 0.02 -1.26 -4.83 135.00 129.74 1itw s PRO 148 Ca 0.56 1.59 0.08 0.00 0.02 0.00 0.00 61.00 63.25 1itw s PRO 148 Cb -0.18 -1.95 0.82 0.00 0.02 0.00 0.00 34.50 33.21 1itw s PRO 148 CO 0.23 -1.19 1.92 1.25 -0.33 0.00 0.00 177.00 178.87 1itw h LEU 149 N 0.52 0.62 -1.06 -5.54 5.85 -1.99 -0.46 115.31 113.24 1itw h LEU 149 Ca -0.49 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1itw h LEU 149 Cb 1.27 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1itw h LEU 149 CO 0.55 0.36 0.63 0.77 -0.34 0.00 0.00 178.44 180.41 1itw h SER 150 N 0.68 1.07 0.04 1.25 4.64 -1.99 -0.50 113.55 118.74 1itw h SER 150 Ca 0.38 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.47 1itw h SER 150 Cb 0.53 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1itw h SER 150 CO -0.15 0.75 -0.78 0.58 -0.87 0.00 0.00 176.83 176.36 1itw h VAL 151 N 1.25 1.32 -0.15 0.95 2.07 -1.47 -2.25 116.25 117.97 1itw h VAL 151 Ca 0.37 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 1itw h VAL 151 Cb -0.06 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1itw h VAL 151 CO -0.10 0.64 0.04 0.50 0.02 0.00 0.00 177.57 178.68 1itw h LYS 152 N 0.42 0.23 -0.78 1.57 1.63 -0.91 -2.23 116.57 116.49 1itw h LYS 152 Ca -0.05 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1itw h LYS 152 Cb 1.40 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.96 1itw h LYS 152 CO 0.15 0.37 0.38 -0.91 -3.45 0.00 0.00 179.45 175.99 1itw h ASN 153 N 0.05 1.01 -0.17 4.20 2.35 -1.13 -0.32 115.58 121.57 1itw h ASN 153 Ca 0.05 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1itw h ASN 153 Cb 0.24 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1itw h ASN 153 CO -0.00 0.85 0.09 0.22 -1.65 0.00 0.00 177.43 176.94 1itw h TYR 154 N 1.11 0.24 -0.66 1.19 3.20 -1.29 -1.75 116.97 119.01 1itw h TYR 154 Ca 0.27 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1itw h TYR 154 Cb 0.10 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1itw h TYR 154 CO 0.01 0.25 0.39 0.00 -1.64 0.00 0.00 178.16 177.17 1itw h ALA 155 N 0.97 0.85 -0.79 1.82 0.00 -1.11 0.30 119.26 121.30 1itw h ALA 155 Ca 0.06 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1itw h ALA 155 Cb 0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1itw h ALA 155 CO -0.01 0.34 0.51 -0.09 0.00 0.00 0.00 179.25 180.00 1itw h ARG 156 N 0.91 0.78 0.00 0.00 2.43 -0.75 -1.63 114.38 116.12 1itw h ARG 156 Ca 0.24 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1itw h ARG 156 Cb -0.00 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1itw h ARG 156 CO -0.04 0.52 -1.04 1.63 -1.51 0.00 0.00 179.97 179.53 1itw n LYS 157 N -4.49 0.51 -3.27 0.20 5.02 -0.69 -4.40 118.16 111.05 1itw n LYS 157 Ca 0.12 0.07 -0.26 0.00 -2.02 0.00 0.00 58.31 56.22 1itw n LYS 157 Cb 0.26 -1.74 -0.07 0.00 -0.02 0.00 0.00 35.03 33.46 1itw n LYS 157 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1itw n HIS 158 N -2.44 2.48 -1.64 2.13 8.25 0.10 -5.09 115.22 119.01 1itw n HIS 158 Ca 0.00 -3.96 -0.51 0.00 -0.26 0.00 0.00 57.72 52.99 1itw n HIS 158 Cb 0.52 -0.49 -0.06 0.00 1.12 0.00 0.00 29.99 31.08 1itw n HIS 158 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1itw n PRO 159 N 0.77 1.47 -2.36 -0.41 -0.02 -0.75 -4.63 135.00 129.07 1itw n PRO 159 Ca 0.28 0.53 -0.27 0.00 -2.02 0.00 0.00 63.50 62.01 1itw n PRO 159 Cb 0.45 -2.23 0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1itw n PRO 159 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1itw s HIS 160 N 1.45 3.36 0.29 6.00 -3.43 -1.26 -5.02 115.29 116.68 1itw s HIS 160 Ca 0.86 0.77 -0.29 0.00 -0.80 0.00 0.00 55.06 55.60 1itw s HIS 160 Cb -0.89 -2.67 -0.10 0.00 -1.43 0.00 0.00 32.58 27.49 1itw s HIS 160 CO 0.49 -0.73 1.27 0.15 -2.00 0.00 0.00 174.74 173.92 1itw s LYS 161 N -4.99 4.42 -0.16 -0.38 1.02 -1.26 -4.95 119.74 113.45 1itw s LYS 161 Ca 0.53 2.10 -0.01 0.00 0.02 0.00 0.00 55.97 58.61 1itw s LYS 161 Cb -0.11 -3.12 0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1itw s LYS 161 CO 0.46 -0.13 -0.03 -1.64 -0.92 0.00 0.00 175.35 173.10 1itw s MET 162 N -1.32 1.15 0.24 1.68 -1.94 -1.26 -5.02 119.30 112.83 1itw s MET 162 Ca 0.50 -0.41 -0.31 0.00 -1.71 0.00 0.00 55.69 53.76 1itw s MET 162 Cb -0.38 -1.89 -0.14 0.00 2.01 0.00 0.00 34.83 34.44 1itw s MET 162 CO 0.47 -0.46 1.30 0.41 -0.01 0.00 0.00 175.02 176.73 1itw n GLY 163 N 4.95 0.47 3.77 -0.03 0.00 -0.63 -4.91 105.19 108.81 1itw n GLY 163 Ca -0.11 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 1itw n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itw s ALA 164 N -0.29 3.46 -0.12 4.61 0.00 -1.26 -4.11 121.76 124.04 1itw s ALA 164 Ca 0.67 1.19 -0.03 0.00 0.00 0.00 0.00 51.96 53.80 1itw s ALA 164 Cb -0.70 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 18.94 1itw s ALA 164 CO 0.53 -0.57 -0.00 -1.58 0.00 0.00 0.00 175.76 174.13 1itw s TRP 165 N -1.16 3.13 -0.07 0.00 0.52 -1.26 -4.47 118.94 115.63 1itw s TRP 165 Ca 0.49 0.05 -0.01 0.00 0.02 0.00 0.00 56.10 56.65 1itw s TRP 165 Cb -0.38 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.04 1itw s TRP 165 CO 0.50 0.29 -0.01 0.45 0.02 0.00 0.00 176.95 178.21 1itw s SER 166 N -0.40 5.13 0.37 2.95 0.15 -1.26 -4.75 113.70 115.89 1itw s SER 166 Ca 0.07 0.10 0.27 0.00 0.70 0.00 0.00 55.95 57.10 1itw s SER 166 Cb -0.12 -1.41 1.21 0.00 -1.71 0.00 0.00 66.02 63.99 1itw s SER 166 CO 0.02 0.36 1.82 0.00 1.20 0.00 0.00 173.24 176.64 1itw h ALA 167 N 5.06 1.00 -0.06 5.45 0.00 -1.90 -1.91 119.26 126.90 1itw h ALA 167 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1itw h ALA 167 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1itw h ALA 167 CO 0.54 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 1itw n ASP 168 N -2.51 1.72 -4.57 0.00 3.85 -1.26 -4.96 116.55 108.81 1itw n ASP 168 Ca 0.01 -1.60 -0.46 0.00 -0.71 0.00 0.00 54.79 52.03 1itw n ASP 168 Cb 0.21 -0.03 -0.02 0.00 -1.35 0.00 0.00 41.12 39.93 1itw n ASP 168 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 1itw n SER 169 N 0.34 1.14 -0.38 -1.12 2.88 -0.72 -4.89 113.62 110.87 1itw n SER 169 Ca 0.18 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 59.00 1itw n SER 169 Cb 0.38 -1.25 0.12 0.00 -0.75 0.00 0.00 64.21 62.71 1itw n SER 169 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1itw n LYS 170 N 0.96 1.00 -2.05 -1.46 5.02 -1.26 -4.97 118.16 115.39 1itw n LYS 170 Ca 0.11 -0.76 -0.39 0.00 -2.02 0.00 0.00 58.31 55.25 1itw n LYS 170 Cb 0.30 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1itw n LYS 170 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1itw s SER 171 N -2.53 6.24 0.10 4.39 0.01 -1.26 -4.74 113.70 115.91 1itw s SER 171 Ca 0.20 2.64 -0.26 0.00 1.31 0.00 0.00 55.95 59.83 1itw s SER 171 Cb 0.18 -2.64 0.08 0.00 0.21 0.00 0.00 66.02 63.86 1itw s SER 171 CO 0.57 -0.90 1.01 -1.38 0.41 0.00 0.00 173.24 172.95 1itw s HIS 172 N -1.28 -0.14 -0.14 2.43 -3.43 -0.86 -4.97 115.29 106.90 1itw s HIS 172 Ca 0.58 -0.11 -0.09 0.00 -0.80 0.00 0.00 55.06 54.65 1itw s HIS 172 Cb -0.38 0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 31.34 1itw s HIS 172 CO 0.48 -0.70 0.16 0.08 -2.00 0.00 0.00 174.74 172.76 1itw s VAL 173 N -3.12 5.44 -0.20 -5.38 1.01 -1.26 -0.25 120.40 116.64 1itw s VAL 173 Ca 0.12 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1itw s VAL 173 Cb -0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1itw s VAL 173 CO -0.00 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 1itw s ALA 174 N -0.48 2.85 0.17 5.51 0.00 0.41 -4.89 121.76 125.34 1itw s ALA 174 Ca 0.13 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1itw s ALA 174 Cb -0.12 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1itw s ALA 174 CO 0.02 -0.23 -0.02 -3.38 0.00 0.00 0.00 175.76 172.16 1itw s HIS 175 N 1.13 1.22 0.76 0.00 -3.43 -1.25 -0.96 115.29 112.76 1itw s HIS 175 Ca 0.02 -0.97 -0.11 0.00 -0.80 0.00 0.00 55.06 53.20 1itw s HIS 175 Cb -0.15 -0.69 0.05 0.00 -1.43 0.00 0.00 32.58 30.36 1itw s HIS 175 CO -0.00 -0.16 1.08 -1.64 -2.00 0.00 0.00 174.74 172.02 1itw s MET 176 N -3.88 2.41 -0.00 -0.38 -1.94 0.36 -4.97 119.30 110.90 1itw s MET 176 Ca 0.22 1.12 0.15 0.00 -1.71 0.00 0.00 55.69 55.47 1itw s MET 176 Cb 0.06 -1.92 -0.17 0.00 2.01 0.00 0.00 34.83 34.81 1itw s MET 176 CO 0.03 -1.52 0.58 -0.25 -0.01 0.00 0.00 175.02 173.85 1itw n ASP 177 N -3.44 0.81 -3.63 3.03 8.00 -1.26 -4.70 116.55 115.36 1itw n ASP 177 Ca 0.09 -0.72 0.01 0.00 0.71 0.00 0.00 54.79 54.87 1itw n ASP 177 Cb 0.53 1.10 -0.01 0.00 -0.02 0.00 0.00 41.12 42.72 1itw n ASP 177 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1itw s ASN 178 N -2.57 -0.07 -0.47 -2.24 4.22 -1.26 -5.00 114.94 107.56 1itw s ASN 178 Ca 0.04 -0.15 0.00 0.00 -2.14 0.00 0.00 52.86 50.60 1itw s ASN 178 Cb 0.11 0.19 0.00 0.00 1.28 0.00 0.00 41.25 42.83 1itw s ASN 178 CO 0.60 -0.35 0.00 0.61 -2.04 0.00 0.00 177.10 175.92 1itw n GLY 179 N -0.47 0.71 3.91 0.45 0.00 -1.26 -4.86 105.19 103.66 1itw n GLY 179 Ca -0.08 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1itw n GLY 179 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1itw s ASP 180 N -2.62 4.63 0.15 1.61 -4.77 -1.26 0.25 116.67 114.67 1itw s ASP 180 Ca 0.00 -1.25 -0.16 0.00 -3.30 0.00 0.00 52.55 47.84 1itw s ASP 180 Cb 0.00 0.44 0.02 0.00 -1.09 0.00 0.00 42.92 42.29 1itw s ASP 180 CO 0.00 -1.12 1.80 -0.26 0.70 0.00 0.00 175.17 176.29 1itw h PHE 181 N 0.73 0.46 -0.55 2.11 -1.00 -1.92 -2.83 116.94 113.94 1itw h PHE 181 Ca -0.37 0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.54 1itw h PHE 181 Cb 1.30 -0.15 -0.09 0.00 3.61 0.00 0.00 35.95 40.62 1itw h PHE 181 CO 0.98 0.28 0.00 -0.92 -1.61 0.00 0.00 178.31 177.04 1itw h TYR 182 N 0.49 -0.03 0.00 -0.55 3.20 -1.96 -1.92 116.97 116.20 1itw h TYR 182 Ca 0.15 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1itw h TYR 182 Cb -0.03 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1itw h TYR 182 CO -0.06 -0.13 0.00 0.41 -1.64 0.00 0.00 178.16 176.74 1itw n GLY 183 N -1.34 -1.36 0.07 1.82 0.00 -1.09 -3.67 105.19 99.62 1itw n GLY 183 Ca 0.07 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1itw n GLY 183 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1itw n SER 184 N -1.49 1.89 -4.73 1.61 3.41 -0.82 -4.94 113.62 108.55 1itw n SER 184 Ca 0.06 -1.80 -0.42 0.00 -0.26 0.00 0.00 58.87 56.46 1itw n SER 184 Cb 0.29 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1itw n SER 184 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1itw s GLU 185 N -0.81 4.20 -0.03 4.33 2.12 -0.79 -4.44 118.70 123.29 1itw s GLU 185 Ca 0.02 2.42 0.01 0.00 0.36 0.00 0.00 54.97 57.79 1itw s GLU 185 Cb 0.01 -3.10 0.02 0.00 0.26 0.00 0.00 34.13 31.32 1itw s GLU 185 CO 0.02 -0.58 -0.03 0.15 -0.54 0.00 0.00 175.26 174.28 1itw s LYS 186 N 0.38 0.57 0.26 4.30 1.02 -0.00 -4.44 119.74 121.82 1itw s LYS 186 Ca 0.66 -0.07 0.11 0.00 0.02 0.00 0.00 55.97 56.70 1itw s LYS 186 Cb -0.45 -0.62 -0.05 0.00 -0.52 0.00 0.00 37.83 36.19 1itw s LYS 186 CO 0.38 -0.05 -0.20 0.00 -0.92 0.00 0.00 175.35 174.56 1itw s ALA 187 N 0.70 2.62 -0.10 5.17 0.00 -1.26 -0.93 121.76 127.96 1itw s ALA 187 Ca -0.08 -1.81 -0.09 0.00 0.00 0.00 0.00 51.96 49.97 1itw s ALA 187 Cb -0.11 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1itw s ALA 187 CO -0.00 0.28 0.27 0.00 0.00 0.00 0.00 175.76 176.30 1itw s ALA 188 N -2.43 -0.66 -0.36 0.00 0.00 0.19 -4.99 121.76 113.51 1itw s ALA 188 Ca 0.28 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 1itw s ALA 188 Cb -0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1itw s ALA 188 CO 0.13 -0.13 0.35 -1.17 0.00 0.00 0.00 175.76 174.94 1itw s LEU 189 N 0.15 4.60 0.32 0.00 2.96 -1.26 -1.88 118.68 123.56 1itw s LEU 189 Ca -0.00 -0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.21 1itw s LEU 189 Cb -0.02 -2.29 -0.11 0.00 0.50 0.00 0.00 46.19 44.27 1itw s LEU 189 CO 0.00 -0.37 1.48 -0.63 -1.32 0.00 0.00 176.35 175.51 1itw s ILE 190 N 1.95 2.30 -0.18 6.68 -1.09 -0.22 -4.91 121.20 125.73 1itw s ILE 190 Ca 0.10 0.27 0.08 0.00 -2.23 0.00 0.00 60.65 58.87 1itw s ILE 190 Cb -0.17 -3.17 -0.22 0.00 -1.58 0.00 0.00 42.46 37.31 1itw s ILE 190 CO 0.12 0.05 0.10 0.61 -1.23 0.00 0.00 174.94 174.59 1itw n GLY 191 N 1.36 -0.70 3.15 6.18 0.00 -1.26 -0.64 105.19 113.27 1itw n GLY 191 Ca 0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1itw n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itw s ALA 192 N -2.53 0.00 0.65 4.61 0.00 -1.26 -4.47 121.76 118.76 1itw s ALA 192 Ca -0.20 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1itw s ALA 192 Cb 0.07 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1itw s ALA 192 CO 0.74 -0.41 1.18 -2.30 0.00 0.00 0.00 175.76 174.97 1itw n PRO 193 N 0.27 0.99 0.00 0.00 -0.02 -1.26 -4.38 135.00 130.59 1itw n PRO 193 Ca -0.16 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1itw n PRO 193 Cb 0.61 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1itw n PRO 193 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1itw n GLY 194 N 1.03 -0.53 3.42 -1.23 0.00 -0.64 -4.98 105.19 102.26 1itw n GLY 194 Ca 0.15 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 1itw n GLY 194 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1itw s SER 195 N -4.00 -0.50 0.23 1.61 1.04 -1.26 -0.54 113.70 110.28 1itw s SER 195 Ca 0.00 0.77 0.06 0.00 0.48 0.00 0.00 55.95 57.25 1itw s SER 195 Cb 0.00 0.78 -0.03 0.00 0.10 0.00 0.00 66.02 66.87 1itw s SER 195 CO 0.00 -0.36 0.27 0.68 0.98 0.00 0.00 173.24 174.81 1itw s VAL 196 N -0.46 4.87 -0.09 5.02 -7.23 -0.48 -2.39 120.40 119.65 1itw s VAL 196 Ca -0.06 -1.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1itw s VAL 196 Cb -0.03 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.28 1itw s VAL 196 CO 0.04 -0.29 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.62 1itw s LYS 197 N -3.77 2.93 -0.29 4.82 2.20 0.38 -2.23 119.74 123.78 1itw s LYS 197 Ca 0.33 -0.74 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1itw s LYS 197 Cb -0.09 -2.45 0.04 0.00 -1.51 0.00 0.00 37.83 33.83 1itw s LYS 197 CO 0.27 0.38 -0.01 0.42 -0.36 0.00 0.00 175.35 176.04 1itw s ILE 198 N -0.10 2.98 0.03 5.43 1.01 -0.83 -1.44 121.20 128.28 1itw s ILE 198 Ca -0.03 -1.28 0.01 0.00 0.00 0.00 0.00 60.65 59.35 1itw s ILE 198 Cb -0.14 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1itw s ILE 198 CO 0.04 -0.03 -0.05 -1.83 0.00 0.00 0.00 174.94 173.07 1itw s GLU 199 N 1.28 0.39 -0.23 2.79 -1.05 -0.83 -0.43 118.70 120.62 1itw s GLU 199 Ca -0.04 -0.66 -0.11 0.00 -0.15 0.00 0.00 54.97 54.01 1itw s GLU 199 Cb -0.19 -0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.39 1itw s GLU 199 CO -0.02 -0.01 0.20 -1.17 0.95 0.00 0.00 175.26 175.21 1itw s LEU 200 N -1.47 4.13 -0.42 1.83 1.98 0.16 -1.15 118.68 123.75 1itw s LEU 200 Ca -0.13 0.20 -0.09 0.00 -2.89 0.00 0.00 54.13 51.22 1itw s LEU 200 Cb -0.10 -2.18 0.08 0.00 0.66 0.00 0.00 46.19 44.65 1itw s LEU 200 CO -0.00 0.06 0.26 -0.63 -1.89 0.00 0.00 176.35 174.14 1itw s ILE 201 N 1.01 4.20 0.85 6.68 -1.09 -0.14 0.49 121.20 133.21 1itw s ILE 201 Ca 0.10 -1.41 -0.11 0.00 -2.23 0.00 0.00 60.65 56.99 1itw s ILE 201 Cb -0.13 -3.57 0.10 0.00 -1.58 0.00 0.00 42.46 37.28 1itw s ILE 201 CO 0.04 -0.51 1.09 0.00 -1.23 0.00 0.00 174.94 174.34 1itw s ALA 202 N 1.42 1.81 0.16 9.38 0.00 0.12 -1.62 121.76 133.02 1itw s ALA 202 Ca 0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 1itw s ALA 202 Cb -0.23 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 19.76 1itw s ALA 202 CO 0.02 -2.13 1.66 0.87 0.00 0.00 0.00 175.76 176.18 1itw h LYS 203 N -1.39 -0.06 -0.63 0.00 1.79 -1.86 -0.92 116.57 113.51 1itw h LYS 203 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1itw h LYS 203 Cb 1.27 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1itw h LYS 203 CO 0.55 -0.04 0.00 -0.40 -1.08 0.00 0.00 179.45 178.48 1itw n ASP 204 N -5.31 0.65 0.00 0.86 5.68 -1.26 -4.71 116.55 112.46 1itw n ASP 204 Ca 0.01 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.21 1itw n ASP 204 Cb 0.23 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1itw n ASP 204 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1itw n GLY 205 N 0.27 2.81 3.42 6.12 0.00 -0.35 -5.00 105.19 112.47 1itw n GLY 205 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1itw n GLY 205 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1itw n SER 206 N 0.00 -1.78 -3.80 1.61 2.88 -1.23 -4.64 113.62 106.66 1itw n SER 206 Ca 0.00 0.46 -0.16 0.00 -1.33 0.00 0.00 58.87 57.84 1itw n SER 206 Cb 0.00 -1.19 -0.16 0.00 -0.75 0.00 0.00 64.21 62.11 1itw n SER 206 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1itw s SER 207 N -1.68 0.26 -0.22 -3.46 0.15 -1.26 0.13 113.70 107.62 1itw s SER 207 Ca 0.61 0.00 -0.01 0.00 0.70 0.00 0.00 55.95 57.25 1itw s SER 207 Cb -0.28 -0.15 0.06 0.00 -1.71 0.00 0.00 66.02 63.94 1itw s SER 207 CO 0.63 -0.11 0.01 -0.89 1.20 0.00 0.00 173.24 174.08 1itw s THR 208 N 0.99 0.97 -0.12 6.45 2.01 0.18 -4.95 115.64 121.17 1itw s THR 208 Ca -0.09 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.71 1itw s THR 208 Cb -0.13 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1itw s THR 208 CO -0.02 -0.21 1.58 -0.69 -0.69 0.00 0.00 174.62 174.59 1itw s VAL 209 N 1.64 3.72 -0.08 3.82 1.01 -1.26 0.39 120.40 129.64 1itw s VAL 209 Ca -0.02 0.86 -0.13 0.00 0.00 0.00 0.00 61.98 62.69 1itw s VAL 209 Cb -0.18 -3.61 -0.28 0.00 0.00 0.00 0.00 36.38 32.31 1itw s VAL 209 CO -0.09 -0.13 0.58 -0.07 0.00 0.00 0.00 175.10 175.39 1itw h LEU 210 N 10.57 0.48 -6.42 3.92 3.38 -1.09 -3.45 115.31 122.70 1itw h LEU 210 Ca -0.36 -0.90 -0.23 0.00 0.09 0.00 0.00 57.88 56.49 1itw h LEU 210 Cb 1.16 -0.16 -0.30 0.00 0.09 0.00 0.00 40.66 41.45 1itw h LEU 210 CO 0.97 1.71 -0.56 -0.75 0.09 0.00 0.00 178.44 179.90 1itw s LYS 211 N -2.52 0.36 0.13 1.13 2.20 -0.52 -5.03 119.74 115.49 1itw s LYS 211 Ca -0.19 0.11 -0.32 0.00 -0.36 0.00 0.00 55.97 55.21 1itw s LYS 211 Cb 0.05 -0.48 -0.10 0.00 -1.51 0.00 0.00 37.83 35.79 1itw s LYS 211 CO 0.80 -0.95 1.55 0.00 -0.36 0.00 0.00 175.35 176.39 1itw h ALA 212 N 8.20 -0.75 -3.89 3.13 0.00 -1.88 -2.21 119.26 121.87 1itw h ALA 212 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.38 1itw h ALA 212 Cb 1.11 1.10 -0.27 0.00 0.00 0.00 0.00 17.79 19.73 1itw h ALA 212 CO 0.29 -1.04 -0.78 0.21 0.00 0.00 0.00 179.25 177.93 1itw s LYS 213 N -5.67 0.82 -0.28 0.00 2.20 -1.26 -4.34 119.74 111.21 1itw s LYS 213 Ca -0.14 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1itw s LYS 213 Cb 0.09 -0.78 0.13 0.00 -1.51 0.00 0.00 37.83 35.75 1itw s LYS 213 CO 0.62 0.20 0.27 0.99 -0.36 0.00 0.00 175.35 177.08 1itw s THR 214 N -0.53 -0.37 0.25 3.43 2.01 -0.95 -4.96 115.64 114.53 1itw s THR 214 Ca 0.02 -0.46 -0.31 0.00 0.31 0.00 0.00 61.69 61.25 1itw s THR 214 Cb -0.06 -0.95 -0.13 0.00 0.01 0.00 0.00 72.50 71.37 1itw s THR 214 CO 0.00 -0.46 1.40 -1.20 -0.69 0.00 0.00 174.62 173.68 1itw n SER 215 N 5.31 2.78 -4.16 3.53 7.64 -1.26 -1.38 113.62 126.08 1itw n SER 215 Ca -0.03 1.15 -0.20 0.00 1.01 0.00 0.00 58.87 60.80 1itw n SER 215 Cb 0.46 -1.44 -0.13 0.00 -1.01 0.00 0.00 64.21 62.10 1itw n SER 215 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1itw s VAL 216 N -0.15 1.16 0.38 0.44 -7.23 0.30 -4.89 120.40 110.42 1itw s VAL 216 Ca 0.67 -1.14 0.08 0.00 -1.81 0.00 0.00 61.98 59.77 1itw s VAL 216 Cb -0.64 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1itw s VAL 216 CO 0.51 -0.07 0.40 -1.10 -0.31 0.00 0.00 175.10 174.52 1itw s GLN 217 N -1.39 2.71 0.24 4.82 -0.21 -1.26 -1.62 119.66 122.94 1itw s GLN 217 Ca 0.01 -1.36 -0.30 0.00 0.02 0.00 0.00 55.36 53.74 1itw s GLN 217 Cb -0.09 -2.52 -0.09 0.00 1.00 0.00 0.00 33.01 31.31 1itw s GLN 217 CO 0.02 -0.09 1.13 0.00 -2.12 0.00 0.00 175.29 174.22 1itw s ALA 218 N -2.37 3.41 0.00 6.09 0.00 -1.26 -2.78 121.76 124.85 1itw s ALA 218 Ca 0.47 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1itw s ALA 218 Cb -0.06 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1itw s ALA 218 CO 0.29 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1itw n GLY 219 N 1.55 1.89 3.76 0.00 0.00 0.19 -4.76 105.19 107.81 1itw n GLY 219 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1itw n GLY 219 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1itw s GLU 220 N -0.01 4.48 -0.20 1.61 2.12 -1.12 -4.31 118.70 121.28 1itw s GLU 220 Ca 0.00 1.86 -0.11 0.00 0.36 0.00 0.00 54.97 57.08 1itw s GLU 220 Cb 0.00 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.29 1itw s GLU 220 CO 0.00 0.05 0.18 0.42 -0.54 0.00 0.00 175.26 175.37 1itw s ILE 221 N -1.23 5.37 0.04 -3.70 1.01 0.52 -1.05 121.20 122.16 1itw s ILE 221 Ca 0.48 0.29 0.06 0.00 0.00 0.00 0.00 60.65 61.48 1itw s ILE 221 Cb -0.32 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1itw s ILE 221 CO 0.42 0.41 -0.18 0.27 0.00 0.00 0.00 174.94 175.86 1itw s ILE 222 N 0.52 1.44 -0.11 2.92 -4.36 -0.79 -0.89 121.20 119.93 1itw s ILE 222 Ca 0.10 -1.12 -0.17 0.00 -0.26 0.00 0.00 60.65 59.20 1itw s ILE 222 Cb -0.12 -1.27 0.04 0.00 1.25 0.00 0.00 42.46 42.36 1itw s ILE 222 CO 0.01 0.12 0.44 1.51 0.24 0.00 0.00 174.94 177.25 1itw s ASP 223 N -1.17 -0.41 0.22 4.36 1.47 -1.02 -0.64 116.67 119.48 1itw s ASP 223 Ca 0.05 0.65 0.09 0.00 1.18 0.00 0.00 52.55 54.52 1itw s ASP 223 Cb -0.08 0.70 -0.04 0.00 -0.34 0.00 0.00 42.92 43.16 1itw s ASP 223 CO 0.02 -0.29 -0.02 -0.94 0.68 0.00 0.00 175.17 174.61 1itw s SER 224 N -0.37 4.55 0.19 2.11 1.04 -0.10 -0.86 113.70 120.25 1itw s SER 224 Ca -0.05 -0.56 -0.22 0.00 0.48 0.00 0.00 55.95 55.60 1itw s SER 224 Cb -0.03 -0.87 0.06 0.00 0.10 0.00 0.00 66.02 65.27 1itw s SER 224 CO 0.03 0.05 0.63 -0.94 0.98 0.00 0.00 173.24 173.98 1itw s SER 225 N -3.28 -0.48 -0.06 7.02 1.04 -0.56 -0.82 113.70 116.56 1itw s SER 225 Ca 0.29 -0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 1itw s SER 225 Cb -0.08 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.69 1itw s SER 225 CO 0.18 -1.06 0.19 0.54 0.98 0.00 0.00 173.24 174.07 1itw s VAL 226 N -3.80 0.01 -0.32 5.02 0.11 -1.26 -1.43 120.40 118.74 1itw s VAL 226 Ca 0.04 -0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 58.89 1itw s VAL 226 Cb -0.02 -0.30 -0.00 0.00 -1.53 0.00 0.00 36.38 34.52 1itw s VAL 226 CO -0.08 -0.05 0.17 -0.32 -3.33 0.00 0.00 175.10 171.50 1itw s MET 227 N -0.10 3.30 -0.07 1.54 1.75 -0.37 -3.04 119.30 122.32 1itw s MET 227 Ca -0.02 -0.75 -0.30 0.00 -1.25 0.00 0.00 55.69 53.37 1itw s MET 227 Cb -0.02 -3.62 -0.04 0.00 2.84 0.00 0.00 34.83 33.99 1itw s MET 227 CO 0.01 -0.45 1.32 0.45 -0.65 0.00 0.00 175.02 175.69 1itw s SER 228 N 1.62 6.93 0.15 1.11 0.15 0.14 -2.08 113.70 121.72 1itw s SER 228 Ca 0.05 1.91 -0.16 0.00 0.70 0.00 0.00 55.95 58.45 1itw s SER 228 Cb -0.17 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.60 1itw s SER 228 CO 0.07 -0.70 1.78 0.50 1.20 0.00 0.00 173.24 176.09 1itw h LYS 229 N 7.95 0.57 -0.46 5.44 3.64 -1.88 0.15 116.57 131.97 1itw h LYS 229 Ca -0.34 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1itw h LYS 229 Cb 1.15 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1itw h LYS 229 CO 0.92 0.42 0.17 -0.91 -2.27 0.00 0.00 179.45 177.78 1itw h ASN 230 N 0.55 0.65 -0.61 4.20 2.35 -1.92 0.51 115.58 121.31 1itw h ASN 230 Ca 0.15 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1itw h ASN 230 Cb 0.00 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1itw h ASN 230 CO -0.03 0.66 0.06 0.00 -1.65 0.00 0.00 177.43 176.46 1itw h ALA 231 N 1.02 0.81 -0.47 -0.83 0.00 -1.83 -1.24 119.26 116.72 1itw h ALA 231 Ca 0.15 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1itw h ALA 231 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1itw h ALA 231 CO -0.01 0.60 0.07 1.25 0.00 0.00 0.00 179.25 181.16 1itw h LEU 232 N 0.93 0.75 -0.06 0.00 5.85 -0.45 -1.14 115.31 121.19 1itw h LEU 232 Ca 0.18 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1itw h LEU 232 Cb 0.48 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1itw h LEU 232 CO 0.02 0.82 0.03 -0.09 -0.34 0.00 0.00 178.44 178.88 1itw h ARG 233 N 0.65 0.09 -0.96 1.25 2.43 -0.73 0.23 114.38 117.33 1itw h ARG 233 Ca 0.14 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1itw h ARG 233 Cb 0.40 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 1itw h ARG 233 CO 0.01 0.16 0.62 -0.91 -1.51 0.00 0.00 179.97 178.34 1itw h ASN 234 N -0.01 0.99 -0.27 -3.80 -0.26 -1.15 -1.31 115.58 109.77 1itw h ASN 234 Ca 0.02 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 1itw h ASN 234 Cb 0.11 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1itw h ASN 234 CO -0.00 0.64 0.03 0.15 -1.06 0.00 0.00 177.43 177.19 1itw h PHE 235 N 1.13 0.49 -0.40 1.19 3.04 -0.85 -1.97 116.94 119.58 1itw h PHE 235 Ca 0.41 -0.07 0.01 0.00 3.98 0.00 0.00 57.97 62.30 1itw h PHE 235 Cb 0.14 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 1itw h PHE 235 CO -0.01 0.57 0.25 0.82 -2.02 0.00 0.00 178.31 177.92 1itw h ILE 236 N 0.26 1.08 -0.38 1.41 2.04 -0.47 -0.24 117.51 121.22 1itw h ILE 236 Ca 0.08 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1itw h ILE 236 Cb 0.35 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1itw h ILE 236 CO 0.01 0.09 0.22 0.00 0.00 0.00 0.00 178.15 178.47 1itw h ALA 237 N 1.16 0.47 -0.55 1.87 0.00 -1.19 0.04 119.26 121.07 1itw h ALA 237 Ca 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1itw h ALA 237 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1itw h ALA 237 CO -0.05 -0.13 0.28 0.00 0.00 0.00 0.00 179.25 179.35 1itw h ALA 238 N 1.17 0.70 -0.31 0.00 0.00 -1.02 -2.53 119.26 117.28 1itw h ALA 238 Ca 0.15 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1itw h ALA 238 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1itw h ALA 238 CO -0.07 0.25 -0.35 0.93 0.00 0.00 0.00 179.25 180.00 1itw h GLU 239 N 0.73 0.69 -0.23 0.00 4.39 -0.73 -1.46 114.58 117.97 1itw h GLU 239 Ca 0.19 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1itw h GLU 239 Cb 0.09 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1itw h GLU 239 CO -0.03 0.94 0.15 0.82 -1.16 0.00 0.00 179.01 179.73 1itw h ILE 240 N 0.58 1.07 -0.20 3.13 2.04 -0.85 -0.31 117.51 122.96 1itw h ILE 240 Ca 0.06 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1itw h ILE 240 Cb 0.87 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1itw h ILE 240 CO 0.08 0.07 -0.22 -0.33 0.00 0.00 0.00 178.15 177.74 1itw h GLU 241 N 0.31 0.36 -0.14 2.37 4.39 -1.33 -2.40 114.58 118.13 1itw h GLU 241 Ca 0.08 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 1itw h GLU 241 Cb -0.02 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1itw h GLU 241 CO -0.02 0.57 -0.61 0.22 -1.16 0.00 0.00 179.01 178.01 1itw h ASP 242 N 0.33 0.56 -0.48 1.42 1.82 -0.90 -1.38 116.42 117.78 1itw h ASP 242 Ca 0.05 -0.32 -0.05 0.00 -0.39 0.00 0.00 57.03 56.33 1itw h ASP 242 Cb 0.58 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 1itw h ASP 242 CO 0.04 1.04 0.14 0.00 -1.61 0.00 0.00 179.24 178.84 1itw h ALA 243 N 0.97 1.24 -0.29 -0.78 0.00 -0.79 -0.30 119.26 119.30 1itw h ALA 243 Ca -0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1itw h ALA 243 Cb 1.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1itw h ALA 243 CO 0.11 0.53 -0.28 -0.22 0.00 0.00 0.00 179.25 179.39 1itw h LYS 244 N 0.79 0.71 -0.31 0.00 3.64 -1.25 -0.54 116.57 119.61 1itw h LYS 244 Ca 0.18 -0.37 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1itw h LYS 244 Cb 0.28 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1itw h LYS 244 CO -0.00 0.98 0.19 0.87 -2.27 0.00 0.00 179.45 179.22 1itw h LYS 245 N 0.45 0.41 0.00 1.90 1.57 -0.70 -2.72 116.57 117.48 1itw h LYS 245 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1itw h LYS 245 Cb 0.85 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1itw h LYS 245 CO 0.07 0.31 0.00 1.04 -0.57 0.00 0.00 179.45 180.30 1itw n GLN 246 N -4.85 0.25 -3.02 3.15 6.02 -0.17 -4.94 117.38 113.82 1itw n GLN 246 Ca -0.01 0.25 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1itw n GLN 246 Cb 0.04 -1.82 0.04 0.00 1.02 0.00 0.00 30.24 29.53 1itw n GLN 246 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1itw n GLY 247 N 1.07 0.23 3.59 1.08 0.00 -0.29 -5.04 105.19 105.83 1itw n GLY 247 Ca 0.05 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1itw n GLY 247 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1itw s VAL 248 N -3.15 3.21 0.30 1.61 -7.23 -0.69 -4.94 120.40 109.51 1itw s VAL 248 Ca 0.28 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 1itw s VAL 248 Cb -0.12 -2.66 -0.10 0.00 0.56 0.00 0.00 36.38 34.06 1itw s VAL 248 CO 0.35 -0.26 1.17 -0.76 -0.31 0.00 0.00 175.10 175.29 1itw s LEU 249 N -3.27 4.50 -0.25 1.32 1.43 -0.61 -4.48 118.68 117.31 1itw s LEU 249 Ca 0.28 2.41 -0.15 0.00 -1.03 0.00 0.00 54.13 55.64 1itw s LEU 249 Cb -0.07 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1itw s LEU 249 CO 0.17 -0.29 0.38 -0.22 0.23 0.00 0.00 176.35 176.62 1itw s LEU 250 N -1.60 4.06 0.20 1.79 2.96 0.45 -0.86 118.68 125.69 1itw s LEU 250 Ca 0.46 0.34 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 1itw s LEU 250 Cb -0.34 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 1itw s LEU 250 CO 0.45 -0.16 -0.16 -0.94 -1.32 0.00 0.00 176.35 174.22 1itw s SER 251 N 1.49 2.66 -0.06 3.68 1.04 -0.93 -1.31 113.70 120.27 1itw s SER 251 Ca 0.16 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.63 1itw s SER 251 Cb -0.15 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.83 1itw s SER 251 CO 0.09 -0.11 -0.08 -0.69 0.98 0.00 0.00 173.24 173.43 1itw s VAL 252 N -2.64 0.82 -0.33 5.02 1.01 -1.26 -0.56 120.40 122.46 1itw s VAL 252 Ca 0.21 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1itw s VAL 252 Cb -0.03 -0.80 0.10 0.00 0.00 0.00 0.00 36.38 35.66 1itw s VAL 252 CO 0.07 0.29 0.06 -1.00 0.00 0.00 0.00 175.10 174.52 1itw s HIS 253 N 0.88 3.14 0.32 5.22 3.76 -0.62 -4.89 115.29 123.10 1itw s HIS 253 Ca -0.11 -2.61 0.01 0.00 -0.15 0.00 0.00 55.06 52.20 1itw s HIS 253 Cb -0.15 -2.54 -0.00 0.00 1.11 0.00 0.00 32.58 31.00 1itw s HIS 253 CO 0.01 -0.93 0.03 1.28 -0.85 0.00 0.00 174.74 174.29 1itw n LEU 254 N 4.43 0.00 -3.04 0.89 4.77 -1.26 -4.64 117.00 118.16 1itw n LEU 254 Ca 0.02 -2.12 -0.24 0.00 -0.03 0.00 0.00 56.01 53.64 1itw n LEU 254 Cb 0.42 0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.87 1itw n LEU 254 CO 0.19 -0.31 0.01 1.17 -1.33 0.00 0.00 177.39 177.12 1itw n LYS 255 N -0.77 2.43 -0.20 3.23 3.00 -1.26 -0.72 118.16 123.87 1itw n LYS 255 Ca -0.11 -4.34 -0.01 0.00 -0.00 0.00 0.00 58.31 53.86 1itw n LYS 255 Cb 0.42 -2.05 0.10 0.00 0.00 0.00 0.00 35.03 33.50 1itw n LYS 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1itw h ALA 256 N 3.01 0.76 -0.22 3.14 0.00 -1.84 -0.33 119.26 123.79 1itw h ALA 256 Ca 0.12 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1itw h ALA 256 Cb 0.67 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1itw h ALA 256 CO 0.71 -0.17 0.05 1.15 0.00 0.00 0.00 179.25 180.98 1itw h THR 257 N 0.43 1.21 0.02 0.00 2.02 -1.92 -3.17 112.91 111.49 1itw h THR 257 Ca 0.29 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1itw h THR 257 Cb 0.33 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1itw h THR 257 CO -0.28 0.22 -0.21 -0.03 0.37 0.00 0.00 175.52 175.59 1itw h MET 258 N 0.17 0.11 -2.91 6.66 -1.53 -1.97 -3.32 114.93 112.14 1itw h MET 258 Ca 0.07 -0.14 -0.71 0.00 -3.44 0.00 0.00 59.70 55.47 1itw h MET 258 Cb 0.28 0.05 -0.06 0.00 -0.55 0.00 0.00 31.60 31.32 1itw h MET 258 CO 0.00 0.96 3.03 -1.33 0.14 0.00 0.00 176.91 179.71 1itw n MET 259 N -4.52 4.07 0.27 0.39 2.81 -0.14 -4.78 117.12 115.22 1itw n MET 259 Ca -0.10 -2.90 0.12 0.00 -1.81 0.00 0.00 57.70 53.00 1itw n MET 259 Cb 0.52 -2.76 0.62 0.00 -0.71 0.00 0.00 33.22 30.89 1itw n MET 259 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1itw h LYS 260 N 4.92 0.00 0.00 0.03 2.10 -1.65 -2.78 116.57 119.19 1itw h LYS 260 Ca 0.75 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 59.07 1itw h LYS 260 Cb 0.33 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.61 1itw h LYS 260 CO 1.64 0.00 -2.07 0.28 -2.00 0.00 0.00 179.45 177.30 1itw n VAL 261 N -2.54 1.23 0.07 0.07 0.31 -1.26 -4.59 118.33 111.62 1itw n VAL 261 Ca -0.02 -0.25 -0.12 0.00 -0.01 0.00 0.00 64.34 63.94 1itw n VAL 261 Cb 0.36 -1.84 -0.08 0.00 -0.91 0.00 0.00 33.84 31.37 1itw n VAL 261 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1itw h SER 262 N -0.79 -0.19 -0.57 4.52 4.64 -1.94 -3.28 113.55 115.94 1itw h SER 262 Ca -0.50 -0.33 -0.08 0.00 -0.47 0.00 0.00 61.79 60.41 1itw h SER 262 Cb 1.41 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.53 1itw h SER 262 CO -0.30 0.28 0.03 0.44 -0.87 0.00 0.00 176.83 176.41 1itw h ASP 263 N -0.73 0.97 -0.33 4.97 5.19 -1.81 -1.70 116.42 122.99 1itw h ASP 263 Ca -0.02 -0.29 -0.02 0.00 -0.62 0.00 0.00 57.03 56.08 1itw h ASP 263 Cb 0.51 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1itw h ASP 263 CO 0.04 1.02 0.16 -0.65 -3.12 0.00 0.00 179.24 176.68 1itw h PRO 264 N 0.88 0.52 -0.36 3.56 0.11 -1.72 0.40 132.00 135.39 1itw h PRO 264 Ca 0.17 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 1itw h PRO 264 Cb 0.50 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1itw h PRO 264 CO 0.02 0.43 -0.07 0.82 -0.21 0.00 0.00 178.00 179.00 1itw h ILE 265 N 0.52 1.27 -0.54 4.15 2.04 -1.54 0.70 117.51 124.11 1itw h ILE 265 Ca 0.13 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 1itw h ILE 265 Cb 0.10 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1itw h ILE 265 CO -0.01 0.37 0.03 0.24 0.00 0.00 0.00 178.15 178.77 1itw h MET 266 N 0.48 0.95 -0.56 2.37 2.86 -0.60 -1.58 114.93 118.85 1itw h MET 266 Ca 0.09 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1itw h MET 266 Cb 0.57 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1itw h MET 266 CO 0.03 0.94 0.37 0.35 1.06 0.00 0.00 176.91 179.66 1itw h PHE 267 N 0.83 0.69 -0.71 -0.22 3.57 -0.08 -2.11 116.94 118.90 1itw h PHE 267 Ca 0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1itw h PHE 267 Cb 0.50 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1itw h PHE 267 CO 0.04 0.43 0.47 0.78 -2.23 0.00 0.00 178.31 177.80 1itw h GLY 268 N 0.75 1.00 1.44 2.40 0.00 -0.49 -1.18 103.07 106.99 1itw h GLY 268 Ca 0.21 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1itw h GLY 268 CO -0.05 0.35 -0.17 1.46 0.00 0.00 0.00 176.54 178.13 1itw h GLN 269 N 0.94 0.66 -0.37 4.80 4.20 -0.65 0.12 115.11 124.80 1itw h GLN 269 Ca 0.27 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1itw h GLN 269 Cb -0.07 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1itw h GLN 269 CO -0.06 0.79 -0.05 0.82 -0.67 0.00 0.00 178.83 179.66 1itw h ILE 270 N 0.59 1.27 -0.30 2.54 2.04 -0.81 -1.97 117.51 120.87 1itw h ILE 270 Ca 0.10 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1itw h ILE 270 Cb 0.62 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1itw h ILE 270 CO 0.04 0.36 0.17 0.58 0.00 0.00 0.00 178.15 179.31 1itw h VAL 271 N 0.50 1.12 -0.45 1.67 2.07 -1.02 -0.18 116.25 119.96 1itw h VAL 271 Ca 0.10 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1itw h VAL 271 Cb 0.54 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1itw h VAL 271 CO 0.03 0.12 0.14 0.28 0.02 0.00 0.00 177.57 178.16 1itw h SER 272 N 0.38 0.13 -0.15 0.57 0.02 -0.83 -1.57 113.55 112.09 1itw h SER 272 Ca 0.11 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 1itw h SER 272 Cb 0.04 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1itw h SER 272 CO -0.02 0.10 -0.33 -0.08 -1.14 0.00 0.00 176.83 175.36 1itw h GLU 273 N 0.30 0.49 0.08 3.45 4.57 -1.21 -1.45 114.58 120.82 1itw h GLU 273 Ca 0.21 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1itw h GLU 273 Cb 0.22 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 1itw h GLU 273 CO -0.23 0.94 -0.19 0.35 -1.18 0.00 0.00 179.01 178.70 1itw h PHE 274 N 0.11 -0.49 -0.46 0.92 3.57 -0.86 -2.90 116.94 116.83 1itw h PHE 274 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1itw h PHE 274 Cb 0.94 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1itw h PHE 274 CO 0.10 -0.27 0.00 0.66 -2.23 0.00 0.00 178.31 176.57 1itw n TYR 275 N -5.31 1.54 -0.31 0.41 4.02 -0.61 -4.70 117.16 112.20 1itw n TYR 275 Ca -0.06 -0.54 0.13 0.00 -0.01 0.00 0.00 57.90 57.41 1itw n TYR 275 Cb 0.23 -0.38 0.28 0.00 -0.02 0.00 0.00 39.34 39.45 1itw n TYR 275 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1itw h LYS 276 N 3.12 0.10 -0.08 -0.72 2.10 -1.04 -0.22 116.57 119.82 1itw h LYS 276 Ca 0.00 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.66 1itw h LYS 276 Cb 1.57 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.85 1itw h LYS 276 CO 0.35 0.07 -0.03 -0.44 -2.00 0.00 0.00 179.45 177.39 1itw h ASP 277 N 0.11 -0.12 -0.18 7.07 3.32 -1.86 -0.31 116.42 124.45 1itw h ASP 277 Ca 0.56 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.55 1itw h ASP 277 Cb 1.13 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1itw h ASP 277 CO -0.76 -0.05 -0.23 0.00 -1.72 0.00 0.00 179.24 176.48 1itw h ALA 278 N 1.06 0.27 -0.31 3.45 0.00 -1.59 -2.67 119.26 119.47 1itw h ALA 278 Ca 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1itw h ALA 278 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1itw h ALA 278 CO -0.10 0.22 -0.01 -0.07 0.00 0.00 0.00 179.25 179.29 1itw h LEU 279 N 0.12 0.45 0.07 0.00 3.38 -1.01 -2.25 115.31 116.07 1itw h LEU 279 Ca 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1itw h LEU 279 Cb 0.79 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1itw h LEU 279 CO 0.05 0.53 -0.03 0.74 0.09 0.00 0.00 178.44 179.82 1itw h THR 280 N 0.46 1.22 -0.94 0.22 2.02 -1.08 -2.21 112.91 112.60 1itw h THR 280 Ca 0.10 -1.27 0.14 0.00 0.77 0.00 0.00 66.41 66.15 1itw h THR 280 Cb 0.33 2.02 -0.09 0.00 -1.74 0.00 0.00 68.15 68.66 1itw h THR 280 CO 0.01 0.30 0.56 0.50 0.37 0.00 0.00 175.52 177.26 1itw h LYS 281 N -0.69 0.80 -0.63 6.66 3.64 -1.39 -2.17 116.57 122.78 1itw h LYS 281 Ca -0.01 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.08 1itw h LYS 281 Cb 0.57 -0.18 -0.14 0.00 -0.41 0.00 0.00 32.23 32.06 1itw h LYS 281 CO 0.02 0.53 0.23 0.72 -2.27 0.00 0.00 179.45 178.68 1itw n HIS 282 N -4.73 2.04 -0.12 1.91 8.25 -0.86 -4.74 115.22 116.97 1itw n HIS 282 Ca 0.19 -1.39 -0.05 0.00 -0.26 0.00 0.00 57.72 56.21 1itw n HIS 282 Cb 0.41 -0.64 0.02 0.00 1.12 0.00 0.00 29.99 30.89 1itw n HIS 282 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1itw h ALA 283 N 1.78 0.25 -0.05 -1.41 0.00 -0.73 -1.19 119.26 117.91 1itw h ALA 283 Ca 0.30 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.39 1itw h ALA 283 Cb 2.16 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 20.26 1itw h ALA 283 CO 0.66 -0.46 -0.08 0.93 0.00 0.00 0.00 179.25 180.29 1itw h GLU 284 N -0.02 -0.12 -0.10 0.00 5.08 -1.85 -0.52 114.58 117.05 1itw h GLU 284 Ca 0.20 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1itw h GLU 284 Cb 0.32 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1itw h GLU 284 CO -0.43 -0.08 -0.38 -0.24 -1.00 0.00 0.00 179.01 176.88 1itw h VAL 285 N -0.12 1.29 -0.05 3.13 3.04 -1.89 -2.73 116.25 118.92 1itw h VAL 285 Ca 0.05 -1.42 -0.12 0.00 -1.01 0.00 0.00 66.70 64.20 1itw h VAL 285 Cb 0.19 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 1itw h VAL 285 CO -0.12 0.42 -0.51 -0.07 -1.01 0.00 0.00 177.57 176.28 1itw h LEU 286 N 0.18 0.15 -0.55 3.16 3.38 -0.89 -2.64 115.31 118.10 1itw h LEU 286 Ca 0.02 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1itw h LEU 286 Cb 0.75 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1itw h LEU 286 CO 0.06 0.64 -0.32 0.50 0.09 0.00 0.00 178.44 179.40 1itw h LYS 287 N 0.11 0.82 -0.51 1.13 1.63 -0.85 -1.57 116.57 117.33 1itw h LYS 287 Ca 0.00 -0.39 -0.11 0.00 -0.85 0.00 0.00 60.65 59.30 1itw h LYS 287 Cb 0.94 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 1itw h LYS 287 CO 0.07 1.02 -0.12 1.96 -3.45 0.00 0.00 179.45 178.93 1itw h GLN 288 N 0.69 0.95 -0.01 1.90 4.20 -1.26 -2.64 115.11 118.94 1itw h GLN 288 Ca 0.07 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1itw h GLN 288 Cb 0.87 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1itw h GLN 288 CO 0.08 1.02 0.00 0.44 -0.67 0.00 0.00 178.83 179.69 1itw n ILE 289 N -4.14 0.02 -2.48 2.54 -5.35 -1.01 -4.90 119.36 104.03 1itw n ILE 289 Ca 0.01 -0.04 -0.10 0.00 -0.27 0.00 0.00 62.75 62.35 1itw n ILE 289 Cb 0.40 -0.27 0.01 0.00 -1.74 0.00 0.00 39.64 38.04 1itw n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1itw n GLY 290 N 0.94 0.07 3.68 3.28 0.00 -1.00 -4.92 105.19 107.23 1itw n GLY 290 Ca 0.19 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1itw n GLY 290 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1itw s PHE 291 N -2.73 1.82 -0.46 1.61 5.99 -0.60 -4.96 117.98 118.65 1itw s PHE 291 Ca 0.10 -0.18 -0.09 0.00 0.00 0.00 0.00 56.93 56.76 1itw s PHE 291 Cb -0.04 -4.20 0.11 0.00 0.00 0.00 0.00 43.02 38.90 1itw s PHE 291 CO 0.12 -5.10 0.33 0.34 -0.00 0.00 0.00 175.22 170.91 1itw s ASP 292 N 3.37 5.66 0.55 6.13 2.15 -1.26 -4.90 116.67 128.38 1itw s ASP 292 Ca 0.83 -1.88 0.26 0.00 0.43 0.00 0.00 52.55 52.19 1itw s ASP 292 Cb -0.44 -1.99 1.46 0.00 -0.30 0.00 0.00 42.92 41.64 1itw s ASP 292 CO 0.38 -0.67 2.00 1.62 -0.17 0.00 0.00 175.17 178.33 1itw h VAL 293 N 6.15 0.63 0.00 1.11 3.04 -1.93 0.63 116.25 125.88 1itw h VAL 293 Ca -0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1itw h VAL 293 Cb 1.07 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1itw h VAL 293 CO 0.84 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.99 1itw n ASN 294 N -4.17 0.37 -1.71 3.17 4.13 -1.26 -2.30 115.26 113.50 1itw n ASN 294 Ca 0.08 0.59 0.05 0.00 1.68 0.00 0.00 54.58 56.98 1itw n ASN 294 Cb 0.57 -0.67 0.36 0.00 -1.54 0.00 0.00 39.78 38.49 1itw n ASN 294 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1itw n ASN 295 N -1.91 5.16 -0.00 6.41 5.15 0.22 -4.58 115.26 125.70 1itw n ASN 295 Ca 0.03 -3.03 0.00 0.00 -0.60 0.00 0.00 54.58 50.98 1itw n ASN 295 Cb 0.20 -0.67 -0.00 0.00 -0.53 0.00 0.00 39.78 38.78 1itw n ASN 295 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1itw n GLY 296 N 0.21 -2.14 0.18 8.20 0.00 -0.97 -3.92 105.19 106.75 1itw n GLY 296 Ca 0.29 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.96 1itw n GLY 296 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1itw h ILE 297 N -0.00 0.00 0.00 -0.61 6.09 -1.12 -1.91 117.51 119.96 1itw h ILE 297 Ca -0.00 -0.24 -0.07 0.00 -1.37 0.00 0.00 64.86 63.19 1itw h ILE 297 Cb 0.00 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 38.27 1itw h ILE 297 CO 0.00 0.00 -0.32 1.23 -3.07 0.00 0.00 178.15 175.99 1itw h GLY 298 N 1.73 0.00 1.88 8.18 0.00 -1.38 -1.96 103.07 111.52 1itw h GLY 298 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1itw h GLY 298 CO 0.00 0.00 -0.20 -1.80 0.00 0.00 0.00 176.54 174.54 1itw h ASP 299 N 0.00 0.14 -0.10 0.19 1.82 -1.46 -2.31 116.42 114.70 1itw h ASP 299 Ca -0.00 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.54 1itw h ASP 299 Cb 0.60 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1itw h ASP 299 CO 0.04 0.35 -0.21 0.25 -1.61 0.00 0.00 179.24 178.07 1itw h LEU 300 N 0.14 0.35 -1.84 2.28 6.46 -1.49 -2.45 115.31 118.77 1itw h LEU 300 Ca 0.03 -0.56 -0.02 0.00 -0.12 0.00 0.00 57.88 57.20 1itw h LEU 300 Cb 0.44 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1itw h LEU 300 CO 0.03 0.85 -0.11 1.88 -0.62 0.00 0.00 178.44 180.48 1itw h TYR 301 N -0.13 0.00 -0.02 1.25 -1.99 -1.28 -1.37 116.97 113.43 1itw h TYR 301 Ca 0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.52 1itw h TYR 301 Cb 0.79 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.54 1itw h TYR 301 CO 0.11 0.11 -0.83 0.00 -0.00 0.00 0.00 178.16 177.55 1itw h ALA 302 N 1.89 0.13 0.00 3.88 0.00 -1.39 -3.35 119.26 120.42 1itw h ALA 302 Ca -0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 1itw h ALA 302 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1itw h ALA 302 CO 0.01 0.54 -0.59 0.00 0.00 0.00 0.00 179.25 179.21 1itw h ARG 303 N 0.21 0.00 0.00 0.00 3.08 -1.10 -3.29 114.38 113.28 1itw h ARG 303 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1itw h ARG 303 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.55 1itw h ARG 303 CO 0.16 0.58 0.00 0.44 -1.07 0.00 0.00 179.97 180.08 1itw n ILE 304 N -3.24 0.38 0.30 2.04 -5.35 -0.55 -3.02 119.36 109.91 1itw n ILE 304 Ca 0.02 0.09 0.18 0.00 -0.27 0.00 0.00 62.75 62.76 1itw n ILE 304 Cb 0.77 -0.75 0.74 0.00 -1.74 0.00 0.00 39.64 38.66 1itw n ILE 304 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1itw h LYS 305 N 0.00 0.00 -0.13 6.28 1.57 -1.73 -1.78 116.57 120.79 1itw h LYS 305 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1itw h LYS 305 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1itw h LYS 305 CO 0.00 0.00 0.00 -2.37 -0.57 0.00 0.00 179.45 176.51 1itw n THR 306 N -3.01 0.16 -3.74 -0.16 5.66 -1.17 -4.87 114.28 107.15 1itw n THR 306 Ca 0.00 -0.29 -0.21 0.00 -3.05 0.00 0.00 64.05 60.51 1itw n THR 306 Cb 0.27 0.28 -0.01 0.00 -1.55 0.00 0.00 70.33 69.31 1itw n THR 306 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1itw s LEU 307 N -1.61 4.18 0.54 1.09 1.43 -0.67 -5.06 118.68 118.57 1itw s LEU 307 Ca 0.32 0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.28 1itw s LEU 307 Cb 0.17 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.43 1itw s LEU 307 CO 0.26 -0.21 1.09 -2.65 0.23 0.00 0.00 176.35 175.08 1itw n PRO 308 N -1.54 1.25 -0.20 1.29 -0.02 -1.26 -4.75 135.00 129.77 1itw n PRO 308 Ca -0.06 0.47 0.01 0.00 -2.02 0.00 0.00 63.50 61.90 1itw n PRO 308 Cb 0.57 -2.26 0.11 0.00 -0.02 0.00 0.00 33.50 31.90 1itw n PRO 308 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1itw h GLU 309 N 1.03 0.16 -0.56 -0.52 4.39 -1.94 -1.51 114.58 115.62 1itw h GLU 309 Ca -0.48 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.28 1itw h GLU 309 Cb 1.34 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.89 1itw h GLU 309 CO 0.54 0.10 0.24 0.00 -1.16 0.00 0.00 179.01 178.73 1itw h ALA 310 N 1.54 0.72 -0.52 3.43 0.00 -2.00 -1.02 119.26 121.41 1itw h ALA 310 Ca 0.33 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1itw h ALA 310 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1itw h ALA 310 CO -0.49 -0.15 0.26 -0.22 0.00 0.00 0.00 179.25 178.65 1itw h LYS 311 N 0.45 0.74 -0.64 0.00 1.63 -1.65 -1.35 116.57 115.74 1itw h LYS 311 Ca 0.27 -0.10 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 1itw h LYS 311 Cb 0.27 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 1itw h LYS 311 CO -0.24 0.60 0.37 1.96 -3.45 0.00 0.00 179.45 178.69 1itw h GLN 312 N 0.70 0.69 -0.43 1.90 4.20 -0.73 0.42 115.11 121.86 1itw h GLN 312 Ca 0.18 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1itw h GLN 312 Cb 0.09 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1itw h GLN 312 CO -0.03 0.45 0.27 -0.22 -0.67 0.00 0.00 178.83 178.64 1itw h LYS 313 N 0.71 0.53 -0.46 1.46 3.64 -0.75 0.47 116.57 122.17 1itw h LYS 313 Ca 0.27 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1itw h LYS 313 Cb 0.10 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1itw h LYS 313 CO -0.14 0.35 0.16 1.49 -2.27 0.00 0.00 179.45 179.04 1itw h GLU 314 N 0.55 0.71 -0.03 1.90 4.81 -0.61 -0.53 114.58 121.38 1itw h GLU 314 Ca 0.16 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1itw h GLU 314 Cb -0.04 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1itw h GLU 314 CO -0.05 0.67 0.00 0.82 -0.73 0.00 0.00 179.01 179.72 1itw h ILE 315 N 0.61 1.23 -0.99 2.32 2.04 -0.67 -0.11 117.51 121.95 1itw h ILE 315 Ca 0.15 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.35 1itw h ILE 315 Cb 0.24 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 1itw h ILE 315 CO -0.01 0.19 0.64 -0.33 0.00 0.00 0.00 178.15 178.65 1itw h GLU 316 N -0.23 1.19 -0.48 2.37 5.08 -0.88 -1.22 114.58 120.41 1itw h GLU 316 Ca 0.01 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1itw h GLU 316 Cb 0.30 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1itw h GLU 316 CO 0.00 0.79 -0.07 0.00 -1.00 0.00 0.00 179.01 178.73 1itw h ALA 317 N 1.42 0.97 -0.02 3.43 0.00 -0.90 -2.27 119.26 121.88 1itw h ALA 317 Ca 0.40 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1itw h ALA 317 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1itw h ALA 317 CO -0.14 0.62 -0.58 -0.44 0.00 0.00 0.00 179.25 178.71 1itw h ASP 318 N 0.78 0.06 -0.08 0.00 3.32 -0.24 -2.38 116.42 117.88 1itw h ASP 318 Ca 0.14 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1itw h ASP 318 Cb 0.57 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1itw h ASP 318 CO 0.03 0.63 -0.48 0.40 -1.72 0.00 0.00 179.24 178.11 1itw h ILE 319 N 0.04 1.30 -0.16 0.35 2.04 -1.05 -2.40 117.51 117.63 1itw h ILE 319 Ca -0.01 -1.68 -0.06 0.00 1.00 0.00 0.00 64.86 64.11 1itw h ILE 319 Cb 1.03 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1itw h ILE 319 CO 0.08 0.53 -0.17 1.56 0.00 0.00 0.00 178.15 180.15 1itw h GLN 320 N 0.51 0.27 -0.09 2.37 1.08 -1.21 -1.53 115.11 116.50 1itw h GLN 320 Ca 0.03 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1itw h GLN 320 Cb 1.02 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1itw h GLN 320 CO 0.10 0.44 -0.37 0.00 -0.95 0.00 0.00 178.83 178.05 1itw h ALA 321 N 1.58 1.22 -0.37 3.87 0.00 -1.07 -2.58 119.26 121.90 1itw h ALA 321 Ca 0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1itw h ALA 321 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1itw h ALA 321 CO 0.03 0.54 -0.10 0.28 0.00 0.00 0.00 179.25 179.99 1itw h VAL 322 N 0.16 1.28 0.00 0.00 2.07 -0.81 -2.72 116.25 116.22 1itw h VAL 322 Ca 0.02 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1itw h VAL 322 Cb 0.73 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1itw h VAL 322 CO 0.05 0.39 -0.02 1.88 0.02 0.00 0.00 177.57 179.90 1itw h TYR 323 N 0.52 0.00 0.00 1.57 0.99 -1.09 -0.26 116.97 118.70 1itw h TYR 323 Ca 0.09 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.75 1itw h TYR 323 Cb 0.62 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.34 1itw h TYR 323 CO 0.05 0.02 -0.37 0.00 -0.00 0.00 0.00 178.16 177.86 1itw h ALA 324 N 1.98 0.91 0.00 3.88 0.00 -1.16 -3.26 119.26 121.61 1itw h ALA 324 Ca -0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1itw h ALA 324 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1itw h ALA 324 CO 0.00 0.46 -1.86 1.04 0.00 0.00 0.00 179.25 178.89 1itw n GLN 325 N -3.40 0.65 -2.96 0.00 1.13 -0.53 -4.99 117.38 107.29 1itw n GLN 325 Ca 0.01 -0.06 -0.22 0.00 -1.94 0.00 0.00 57.00 54.79 1itw n GLN 325 Cb 0.55 -1.60 0.02 0.00 0.11 0.00 0.00 30.24 29.32 1itw n GLN 325 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1itw s ARG 326 N -3.21 2.92 0.84 -1.09 3.00 -0.22 -5.08 118.95 116.11 1itw s ARG 326 Ca -0.07 -0.67 -0.11 0.00 0.00 0.00 0.00 55.73 54.88 1itw s ARG 326 Cb 0.11 -2.58 0.09 0.00 0.00 0.00 0.00 34.95 32.57 1itw s ARG 326 CO 0.86 -0.35 1.09 -1.25 0.00 0.00 0.00 175.30 175.66 1itw s PRO 327 N -4.55 1.73 0.46 3.54 0.04 -1.26 -4.90 135.00 130.06 1itw s PRO 327 Ca 0.51 0.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.25 1itw s PRO 327 Cb -0.10 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1itw s PRO 327 CO 0.37 -1.94 1.06 -0.65 0.04 0.00 0.00 177.00 175.88 1itw s GLN 328 N -4.95 3.87 0.11 4.56 -0.21 -1.26 -4.85 119.66 116.93 1itw s GLN 328 Ca 0.62 1.47 -0.03 0.00 0.02 0.00 0.00 55.36 57.44 1itw s GLN 328 Cb -0.17 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 1itw s GLN 328 CO 0.56 -0.39 0.32 -0.51 -2.12 0.00 0.00 175.29 173.15 1itw s LEU 329 N -3.20 4.30 0.48 2.90 1.43 -1.26 -0.41 118.68 122.91 1itw s LEU 329 Ca 0.64 0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 54.00 1itw s LEU 329 Cb -0.20 -3.18 -0.07 0.00 0.03 0.00 0.00 46.19 42.77 1itw s LEU 329 CO 0.24 0.10 1.23 0.00 0.23 0.00 0.00 176.35 178.15 1itw s ALA 330 N -1.60 2.96 -0.08 4.21 0.00 -0.43 -4.30 121.76 122.53 1itw s ALA 330 Ca 0.39 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1itw s ALA 330 Cb -0.12 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1itw s ALA 330 CO 0.25 -0.85 -0.06 -1.64 0.00 0.00 0.00 175.76 173.46 1itw s MET 331 N -2.70 2.84 0.03 0.00 1.00 0.18 -1.33 119.30 119.32 1itw s MET 331 Ca 0.65 -0.54 -0.01 0.00 0.00 0.00 0.00 55.69 55.79 1itw s MET 331 Cb -0.33 -2.63 -0.27 0.00 0.00 0.00 0.00 34.83 31.61 1itw s MET 331 CO 0.39 0.63 0.96 0.28 0.00 0.00 0.00 175.02 177.28 1itw h VAL 332 N 4.33 1.28 -1.42 -6.03 2.07 -1.12 -3.41 116.25 111.95 1itw h VAL 332 Ca -0.47 -2.93 -0.14 0.00 0.82 0.00 0.00 66.70 63.98 1itw h VAL 332 Cb 1.18 2.79 -0.25 0.00 -1.52 0.00 0.00 31.29 33.48 1itw h VAL 332 CO 0.53 0.83 -0.50 0.21 0.02 0.00 0.00 177.57 178.66 1itw s ASN 333 N -6.91 -0.39 0.32 0.57 3.84 -0.87 -5.02 114.94 106.48 1itw s ASN 333 Ca -0.06 -0.53 0.01 0.00 0.21 0.00 0.00 52.86 52.49 1itw s ASN 333 Cb 0.07 1.43 0.53 0.00 -0.55 0.00 0.00 41.25 42.74 1itw s ASN 333 CO 0.85 -0.29 1.90 0.77 -2.79 0.00 0.00 177.10 177.55 1itw h SER 334 N 7.69 0.69 -0.95 -4.21 4.64 -1.83 -0.22 113.55 119.36 1itw h SER 334 Ca -0.02 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1itw h SER 334 Cb 1.14 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.01 1itw h SER 334 CO 0.19 0.63 0.58 0.44 -0.87 0.00 0.00 176.83 177.80 1itw h ASP 335 N 0.75 1.14 -0.65 4.97 3.32 -1.95 -2.38 116.42 121.62 1itw h ASP 335 Ca 0.18 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1itw h ASP 335 Cb 0.16 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1itw h ASP 335 CO -0.02 0.87 0.00 0.29 -1.72 0.00 0.00 179.24 178.66 1itw n LYS 336 N -4.36 2.56 -2.30 3.56 5.02 -1.09 -4.94 118.16 116.61 1itw n LYS 336 Ca 0.11 -2.36 -0.20 0.00 -2.02 0.00 0.00 58.31 53.84 1itw n LYS 336 Cb 0.05 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 1itw n LYS 336 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1itw n GLY 337 N 1.52 -0.23 3.58 0.72 0.00 -0.76 -4.95 105.19 105.07 1itw n GLY 337 Ca 0.22 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1itw n GLY 337 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1itw s ILE 338 N -2.95 4.79 0.70 -0.61 -1.09 -0.17 -5.00 121.20 116.87 1itw s ILE 338 Ca 0.00 0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 59.16 1itw s ILE 338 Cb 0.00 -4.16 0.11 0.00 -1.58 0.00 0.00 42.46 36.83 1itw s ILE 338 CO 0.00 -0.40 0.97 0.42 -1.23 0.00 0.00 174.94 174.70 1itw s THR 339 N 2.96 2.21 0.32 2.92 -4.23 -1.26 -0.72 115.64 117.83 1itw s THR 339 Ca 0.29 -0.58 0.36 0.00 -1.18 0.00 0.00 61.69 60.58 1itw s THR 339 Cb -0.14 -2.63 0.39 0.00 1.34 0.00 0.00 72.50 71.47 1itw s THR 339 CO 0.16 0.00 2.11 -1.13 -0.54 0.00 0.00 174.62 175.23 1itw h ASN 340 N -0.48 0.00 -0.46 3.99 -0.00 -1.54 -2.62 115.58 114.47 1itw h ASN 340 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.92 1itw h ASN 340 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.59 1itw h ASN 340 CO 0.42 0.02 0.00 0.18 -0.00 0.00 0.00 177.43 178.06 1itw n LEU 341 N -3.16 3.40 -0.03 0.34 4.77 -1.26 -4.50 117.00 116.56 1itw n LEU 341 Ca -0.01 -1.54 -0.15 0.00 -0.03 0.00 0.00 56.01 54.29 1itw n LEU 341 Cb 0.23 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 1itw n LEU 341 CO 0.25 0.77 0.45 0.45 -1.33 0.00 0.00 177.39 177.98 1itw h HIS 342 N 4.18 0.26 -3.43 -1.77 3.86 -1.84 -1.06 115.15 115.34 1itw h HIS 342 Ca 0.00 -0.12 -0.43 0.00 -1.16 0.00 0.00 60.37 58.66 1itw h HIS 342 Cb 0.93 -0.04 -0.34 0.00 1.06 0.00 0.00 27.41 29.02 1itw h HIS 342 CO 0.30 0.86 -0.78 0.08 0.86 0.00 0.00 177.93 179.26 1itw s VAL 343 N -3.43 0.65 0.45 2.45 1.01 -1.26 -1.24 120.40 119.03 1itw s VAL 343 Ca -0.16 -0.18 0.14 0.00 0.00 0.00 0.00 61.98 61.79 1itw s VAL 343 Cb 0.02 -0.66 0.32 0.00 0.00 0.00 0.00 36.38 36.06 1itw s VAL 343 CO 0.74 0.25 2.00 -0.65 0.00 0.00 0.00 175.10 177.44 1itw h PRO 344 N 7.24 0.34 -0.00 2.72 0.11 -1.87 -2.59 132.00 137.95 1itw h PRO 344 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1itw h PRO 344 Cb 1.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1itw h PRO 344 CO 0.46 0.23 -0.23 -1.13 -0.21 0.00 0.00 178.00 177.11 1itw n SER 345 N -4.47 0.43 0.01 -2.05 3.41 -1.26 -4.29 113.62 105.41 1itw n SER 345 Ca 0.08 -0.25 -0.12 0.00 -0.26 0.00 0.00 58.87 58.32 1itw n SER 345 Cb 0.34 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.17 1itw n SER 345 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1itw h ASP 346 N 0.31 0.01 -3.65 4.04 3.32 -1.84 -3.41 116.42 115.22 1itw h ASP 346 Ca 0.00 -0.23 -0.69 0.00 0.02 0.00 0.00 57.03 56.14 1itw h ASP 346 Cb 0.46 -0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.80 1itw h ASP 346 CO 0.00 0.24 -0.49 -0.69 -1.72 0.00 0.00 179.24 176.58 1itw s VAL 347 N -5.29 5.07 -0.31 -1.35 1.01 -1.26 -5.06 120.40 113.21 1itw s VAL 347 Ca -0.14 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1itw s VAL 347 Cb 0.04 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1itw s VAL 347 CO 0.67 -0.08 0.07 -0.63 0.00 0.00 0.00 175.10 175.13 1itw s ILE 348 N 1.68 3.71 0.25 2.22 1.01 -1.26 -4.12 121.20 124.67 1itw s ILE 348 Ca 0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 1itw s ILE 348 Cb -0.18 -3.02 0.38 0.00 0.01 0.00 0.00 42.46 39.66 1itw s ILE 348 CO 0.09 -0.05 1.33 0.55 0.00 0.00 0.00 174.94 176.86 1itw n VAL 349 N 4.80 -0.36 0.19 2.92 3.14 0.10 -0.39 118.33 128.74 1itw n VAL 349 Ca -0.14 1.92 0.12 0.00 -2.96 0.00 0.00 64.34 63.29 1itw n VAL 349 Cb 0.46 -2.70 0.69 0.00 -1.06 0.00 0.00 33.84 31.22 1itw n VAL 349 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1itw h ASP 350 N 0.00 0.00 0.00 6.55 -0.00 -1.92 -2.66 116.42 118.39 1itw h ASP 350 Ca 0.44 0.00 -0.35 0.00 -0.00 0.00 0.00 57.03 57.13 1itw h ASP 350 Cb 0.77 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.03 1itw h ASP 350 CO -0.85 0.00 -2.32 0.00 -0.00 0.00 0.00 179.24 176.07 1itw n ALA 351 N -2.54 1.51 -0.07 4.15 0.00 0.48 -4.49 120.51 119.54 1itw n ALA 351 Ca 0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 53.44 52.31 1itw n ALA 351 Cb 0.25 -0.07 0.08 0.00 0.00 0.00 0.00 19.45 19.71 1itw n ALA 351 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1itw h SER 352 N 0.00 0.76 -0.17 0.00 4.64 -0.81 -2.53 113.55 115.44 1itw h SER 352 Ca -0.52 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 60.46 1itw h SER 352 Cb 1.89 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.77 1itw h SER 352 CO -0.05 1.00 -0.09 0.24 -0.87 0.00 0.00 176.83 177.05 1itw h MET 353 N 0.63 0.36 -0.48 4.77 2.86 -1.71 -1.15 114.93 120.21 1itw h MET 353 Ca 0.08 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1itw h MET 353 Cb 0.79 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1itw h MET 353 CO 0.07 0.68 0.03 -1.35 1.06 0.00 0.00 176.91 177.39 1itw h PRO 354 N 0.04 0.78 -0.60 -0.22 0.11 -1.78 0.13 132.00 130.46 1itw h PRO 354 Ca 0.04 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 1itw h PRO 354 Cb 0.57 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 1itw h PRO 354 CO 0.03 0.77 0.29 0.00 -0.21 0.00 0.00 178.00 178.88 1itw h ALA 355 N 1.30 0.78 -0.18 -0.75 0.00 -1.39 0.31 119.26 119.33 1itw h ALA 355 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1itw h ALA 355 Cb 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1itw h ALA 355 CO 0.01 0.34 -0.02 1.98 0.00 0.00 0.00 179.25 181.56 1itw h MET 356 N 0.82 0.33 -0.48 0.00 1.85 -0.75 -2.18 114.93 114.53 1itw h MET 356 Ca 0.21 -0.11 0.02 0.00 -0.61 0.00 0.00 59.70 59.20 1itw h MET 356 Cb 0.11 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.09 1itw h MET 356 CO -0.03 0.57 0.28 0.82 -0.40 0.00 0.00 176.91 178.15 1itw h ILE 357 N 0.06 1.05 -0.93 1.77 2.04 -0.50 0.51 117.51 121.51 1itw h ILE 357 Ca 0.05 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1itw h ILE 357 Cb 0.43 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1itw h ILE 357 CO 0.01 0.10 0.54 -0.09 0.00 0.00 0.00 178.15 178.72 1itw h ARG 358 N 0.56 1.27 -2.17 2.37 2.43 -0.91 -3.12 114.38 114.82 1itw h ARG 358 Ca 0.19 -0.13 -0.40 0.00 -0.81 0.00 0.00 59.98 58.83 1itw h ARG 358 Cb 0.02 -0.26 -0.10 0.00 -0.42 0.00 0.00 29.97 29.21 1itw h ARG 358 CO -0.09 0.90 0.60 -3.47 -1.51 0.00 0.00 179.97 176.41 1itw n ASP 359 N -4.35 6.31 -0.78 -3.80 -0.08 -0.82 -1.60 116.55 111.44 1itw n ASP 359 Ca 0.10 -2.80 -0.10 0.00 -1.51 0.00 0.00 54.79 50.48 1itw n ASP 359 Cb 0.07 -1.36 -0.04 0.00 2.34 0.00 0.00 41.12 42.12 1itw n ASP 359 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1itw n SER 360 N 1.98 -5.40 -0.50 1.67 7.64 -1.20 -1.75 113.62 116.06 1itw n SER 360 Ca 0.51 0.25 -0.05 0.00 1.01 0.00 0.00 58.87 60.59 1itw n SER 360 Cb 0.65 -3.79 -0.01 0.00 -1.01 0.00 0.00 64.21 60.05 1itw n SER 360 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1itw n GLY 361 N -0.18 0.33 3.51 0.23 0.00 0.12 -4.84 105.19 104.36 1itw n GLY 361 Ca -0.10 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 1itw n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itw s LYS 362 N -3.73 1.81 0.23 1.61 1.02 -0.72 -3.86 119.74 116.09 1itw s LYS 362 Ca 0.00 -1.73 0.02 0.00 0.02 0.00 0.00 55.97 54.28 1itw s LYS 362 Cb 0.00 -1.83 -0.05 0.00 -0.52 0.00 0.00 37.83 35.43 1itw s LYS 362 CO 0.00 0.31 0.06 -1.64 -0.92 0.00 0.00 175.35 173.16 1itw s MET 363 N -3.55 1.30 0.15 1.68 -1.94 -0.68 -4.60 119.30 111.65 1itw s MET 363 Ca 0.31 -1.67 -0.30 0.00 -1.71 0.00 0.00 55.69 52.31 1itw s MET 363 Cb -0.04 -0.28 -0.07 0.00 2.01 0.00 0.00 34.83 36.44 1itw s MET 363 CO 0.16 -0.22 1.22 -1.58 -0.01 0.00 0.00 175.02 174.58 1itw s TRP 364 N -3.70 3.41 0.48 -0.03 0.52 -1.26 -1.61 118.94 116.74 1itw s TRP 364 Ca 0.32 1.35 0.08 0.00 0.02 0.00 0.00 56.10 57.87 1itw s TRP 364 Cb 0.07 -3.45 0.03 0.00 -1.15 0.00 0.00 33.47 28.97 1itw s TRP 364 CO 0.10 -1.33 0.60 0.20 0.02 0.00 0.00 176.95 176.53 1itw s GLY 365 N 0.46 1.94 0.52 0.98 0.00 0.18 0.48 107.32 111.87 1itw s GLY 365 Ca 0.55 -1.83 0.25 0.00 0.00 0.00 0.00 44.72 43.70 1itw s GLY 365 CO 0.34 -1.61 1.97 -2.55 0.00 0.00 0.00 173.10 171.25 1itw h PRO 366 N 0.56 0.06 0.00 2.90 0.11 -1.88 0.47 132.00 134.22 1itw h PRO 366 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1itw h PRO 366 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1itw h PRO 366 CO 0.46 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.89 1itw n ASP 367 N -4.38 0.00 0.00 -2.05 5.68 -1.26 -4.86 116.55 109.68 1itw n ASP 367 Ca 0.12 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1itw n ASP 367 Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1itw n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1itw n GLY 368 N 0.91 0.46 3.54 6.12 0.00 0.15 -5.04 105.19 111.34 1itw n GLY 368 Ca 0.22 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1itw n GLY 368 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itw s LYS 369 N -0.86 1.87 0.31 1.61 -0.14 -1.26 -4.85 119.74 116.42 1itw s LYS 369 Ca 0.00 -1.77 -0.27 0.00 -1.36 0.00 0.00 55.97 52.58 1itw s LYS 369 Cb 0.00 -1.83 -0.10 0.00 -1.68 0.00 0.00 37.83 34.22 1itw s LYS 369 CO 0.00 0.25 0.95 -0.51 -0.76 0.00 0.00 175.35 175.28 1itw s LEU 370 N -3.59 4.38 0.10 3.17 1.43 -1.26 -0.64 118.68 122.26 1itw s LEU 370 Ca 0.32 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 55.16 1itw s LEU 370 Cb -0.02 -3.96 0.02 0.00 0.03 0.00 0.00 46.19 42.25 1itw s LEU 370 CO 0.17 -0.05 0.29 -1.00 0.23 0.00 0.00 176.35 175.99 1itw s HIS 371 N -1.55 -0.02 0.70 0.29 3.76 -0.63 -4.91 115.29 112.92 1itw s HIS 371 Ca 0.49 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.92 1itw s HIS 371 Cb -0.20 0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.60 1itw s HIS 371 CO 0.25 -0.60 1.20 -0.51 -0.85 0.00 0.00 174.74 174.23 1itw s ASP 372 N -2.72 4.48 0.03 1.40 1.01 -1.26 -1.68 116.67 117.93 1itw s ASP 372 Ca 0.03 2.32 -0.04 0.00 0.71 0.00 0.00 52.55 55.56 1itw s ASP 372 Cb 0.03 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 1itw s ASP 372 CO -0.10 -2.07 0.07 0.28 0.21 0.00 0.00 175.17 173.56 1itw s THR 373 N -1.96 0.13 -0.52 -1.27 -1.32 -1.25 -1.57 115.64 107.88 1itw s THR 373 Ca 0.74 -1.10 -0.17 0.00 -1.21 0.00 0.00 61.69 59.95 1itw s THR 373 Cb -0.28 -0.82 0.09 0.00 -1.51 0.00 0.00 72.50 69.99 1itw s THR 373 CO 0.43 -0.61 0.52 -0.75 -2.21 0.00 0.00 174.62 172.00 1itw s LYS 374 N -2.45 3.02 -0.51 7.08 2.20 -0.04 -2.02 119.74 127.02 1itw s LYS 374 Ca -0.06 -1.38 -0.27 0.00 -0.36 0.00 0.00 55.97 53.89 1itw s LYS 374 Cb -0.02 -4.20 0.03 0.00 -1.51 0.00 0.00 37.83 32.12 1itw s LYS 374 CO -0.04 -1.25 1.06 0.00 -0.36 0.00 0.00 175.35 174.76 1itw s ALA 375 N 1.97 3.14 -0.23 3.13 0.00 0.65 -2.19 121.76 128.24 1itw s ALA 375 Ca 0.07 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1itw s ALA 375 Cb -0.25 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.05 1itw s ALA 375 CO 0.06 -2.31 1.02 0.08 0.00 0.00 0.00 175.76 174.62 1itw s VAL 376 N 4.28 4.70 -0.35 0.00 1.01 0.27 -0.44 120.40 129.86 1itw s VAL 376 Ca 0.41 1.98 -0.00 0.00 0.00 0.00 0.00 61.98 64.37 1itw s VAL 376 Cb -0.09 -4.29 0.13 0.00 0.00 0.00 0.00 36.38 32.13 1itw s VAL 376 CO 0.27 -0.17 0.20 -0.63 0.00 0.00 0.00 175.10 174.76 1itw s ILE 377 N 3.17 0.38 0.19 2.22 1.01 -0.14 -1.59 121.20 126.43 1itw s ILE 377 Ca 0.43 -1.69 -0.22 0.00 0.00 0.00 0.00 60.65 59.17 1itw s ILE 377 Cb -0.15 -1.28 0.11 0.00 0.01 0.00 0.00 42.46 41.15 1itw s ILE 377 CO 0.06 -0.91 1.58 -0.65 0.00 0.00 0.00 174.94 175.01 1itw h PRO 378 N 7.25 -0.15 -6.56 2.79 0.11 -1.91 -3.34 132.00 130.19 1itw h PRO 378 Ca -0.01 0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.60 1itw h PRO 378 Cb 0.97 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1itw h PRO 378 CO 0.34 -0.10 0.28 0.34 -0.21 0.00 0.00 178.00 178.65 1itw s ASP 379 N -5.19 7.47 0.22 -2.05 -1.08 -1.26 -0.48 116.67 114.29 1itw s ASP 379 Ca -0.14 1.75 0.23 0.00 -0.52 0.00 0.00 52.55 53.87 1itw s ASP 379 Cb 0.16 -2.55 0.93 0.00 -1.46 0.00 0.00 42.92 39.99 1itw s ASP 379 CO 0.69 0.08 1.71 0.54 0.52 0.00 0.00 175.17 178.70 1itw n ARG 380 N 2.13 0.19 -0.20 4.34 1.74 -1.26 -3.70 116.66 119.90 1itw n ARG 380 Ca -0.02 0.36 -0.02 0.00 -0.77 0.00 0.00 57.85 57.40 1itw n ARG 380 Cb 0.49 -1.82 0.05 0.00 -1.02 0.00 0.00 32.46 30.16 1itw n ARG 380 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1itw n TYR 382 N -5.42 0.00 -0.32 0.00 4.02 -1.26 -4.70 117.16 109.49 1itw n TYR 382 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1itw n TYR 382 Cb 0.32 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.82 1itw n TYR 382 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1itw h ALA 383 N 0.00 1.39 -0.71 -0.72 0.00 -1.64 -2.68 119.26 114.90 1itw h ALA 383 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1itw h ALA 383 Cb 0.05 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 1itw h ALA 383 CO 0.00 0.54 0.38 0.78 0.00 0.00 0.00 179.25 180.95 1itw h GLY 384 N 1.19 1.07 0.28 0.00 0.00 -1.84 -2.33 103.07 101.43 1itw h GLY 384 Ca 0.35 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.49 1itw h GLY 384 CO -0.09 0.10 -0.19 -2.08 0.00 0.00 0.00 176.54 174.28 1itw h VAL 385 N 0.66 0.49 -0.75 4.60 2.07 -1.80 -0.98 116.25 120.55 1itw h VAL 385 Ca 0.34 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.83 1itw h VAL 385 Cb 0.30 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1itw h VAL 385 CO -0.24 0.00 0.36 1.88 0.02 0.00 0.00 177.57 179.59 1itw h TYR 386 N -0.20 1.06 -0.90 1.57 0.99 -1.54 -2.35 116.97 115.60 1itw h TYR 386 Ca 0.13 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1itw h TYR 386 Cb 0.39 -0.33 -0.04 0.00 1.00 0.00 0.00 36.73 37.75 1itw h TYR 386 CO -0.34 0.77 0.51 0.37 -0.00 0.00 0.00 178.16 179.47 1itw h GLN 387 N 1.06 1.24 -0.36 4.88 5.75 -0.85 -0.89 115.11 125.94 1itw h GLN 387 Ca 0.26 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1itw h GLN 387 Cb 0.11 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1itw h GLN 387 CO -0.03 0.89 0.17 0.28 -2.65 0.00 0.00 178.83 177.49 1itw h VAL 388 N 1.25 1.16 -0.80 2.39 2.07 -0.69 -1.06 116.25 120.57 1itw h VAL 388 Ca 0.32 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1itw h VAL 388 Cb -0.01 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1itw h VAL 388 CO -0.06 0.17 0.39 0.58 0.02 0.00 0.00 177.57 178.68 1itw h VAL 389 N 0.44 1.25 0.08 2.57 2.07 -1.01 0.37 116.25 122.02 1itw h VAL 389 Ca 0.12 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1itw h VAL 389 Cb 0.11 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1itw h VAL 389 CO -0.02 0.29 -0.04 0.40 0.02 0.00 0.00 177.57 178.22 1itw h ILE 390 N 1.13 1.05 0.00 4.57 2.04 -0.87 -1.93 117.51 123.50 1itw h ILE 390 Ca 0.28 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1itw h ILE 390 Cb 0.09 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1itw h ILE 390 CO -0.04 0.12 -0.17 -0.33 0.00 0.00 0.00 178.15 177.73 1itw h GLU 391 N -0.33 0.00 -0.40 2.37 5.08 -1.03 -1.23 114.58 119.05 1itw h GLU 391 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1itw h GLU 391 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1itw h GLU 391 CO 0.02 0.17 -0.26 0.22 -1.00 0.00 0.00 179.01 178.16 1itw h ASP 392 N 0.00 0.87 0.72 1.42 3.58 -0.65 -2.03 116.42 120.33 1itw h ASP 392 Ca -0.00 -0.34 -0.18 0.00 0.42 0.00 0.00 57.03 56.93 1itw h ASP 392 Cb 0.33 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1itw h ASP 392 CO 0.02 1.09 -0.82 0.00 -2.88 0.00 0.00 179.24 176.65 1itw h LYS 394 N 0.04 1.03 0.17 0.00 1.57 -1.11 0.29 116.57 118.55 1itw h LYS 394 Ca -0.02 -0.40 -0.26 0.00 -1.87 0.00 0.00 60.65 58.10 1itw h LYS 394 Cb 1.43 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 33.71 1itw h LYS 394 CO 0.11 1.09 -1.18 0.37 -0.57 0.00 0.00 179.45 179.27 1itw h GLN 395 N 0.91 0.36 -0.19 3.15 4.15 -1.34 -3.30 115.11 118.85 1itw h GLN 395 Ca 0.13 -0.61 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1itw h GLN 395 Cb 0.72 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1itw h GLN 395 CO 0.06 1.29 0.00 0.72 -1.93 0.00 0.00 178.83 178.97 1itw n HIS 396 N -3.94 0.24 -0.35 3.99 8.25 0.56 -5.05 115.22 118.92 1itw n HIS 396 Ca -0.18 -0.18 0.05 0.00 -0.26 0.00 0.00 57.72 57.15 1itw n HIS 396 Cb 0.93 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 32.02 1itw n HIS 396 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1itw n GLY 397 N 0.94 -1.63 3.65 -1.41 0.00 0.10 -4.91 105.19 101.93 1itw n GLY 397 Ca 0.12 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 1itw n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itw n ALA 398 N -1.73 -0.29 -1.77 4.61 0.00 -1.26 -4.50 120.51 115.57 1itw n ALA 398 Ca -0.00 -0.31 -0.38 0.00 0.00 0.00 0.00 53.44 52.75 1itw n ALA 398 Cb 0.16 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 1itw n ALA 398 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1itw s PHE 399 N -2.05 3.23 -0.46 0.00 0.40 -1.26 -5.00 117.98 112.83 1itw s PHE 399 Ca 0.72 1.62 -0.14 0.00 -0.60 0.00 0.00 56.93 58.53 1itw s PHE 399 Cb -0.30 -3.25 0.07 0.00 0.51 0.00 0.00 43.02 40.06 1itw s PHE 399 CO 0.52 -0.87 0.37 0.34 0.70 0.00 0.00 175.22 176.28 1itw s ASP 400 N -1.32 6.07 0.50 1.36 -1.08 -1.26 -4.95 116.67 115.99 1itw s ASP 400 Ca 0.56 -1.35 0.20 0.00 -0.52 0.00 0.00 52.55 51.44 1itw s ASP 400 Cb -0.26 -2.15 1.27 0.00 -1.46 0.00 0.00 42.92 40.31 1itw s ASP 400 CO 0.33 -0.63 2.02 -0.65 0.52 0.00 0.00 175.17 176.76 1itw h PRO 401 N 8.70 0.11 0.00 4.34 0.11 -1.89 0.33 132.00 143.71 1itw h PRO 401 Ca -0.28 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1itw h PRO 401 Cb 1.11 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1itw h PRO 401 CO 0.86 0.07 -0.36 1.79 -0.21 0.00 0.00 178.00 180.15 1itw h THR 402 N 0.12 0.89 0.00 -1.15 1.35 -1.87 -3.36 112.91 108.88 1itw h THR 402 Ca 0.21 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1itw h THR 402 Cb 0.69 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1itw h THR 402 CO -0.02 0.35 -0.49 0.35 -0.25 0.00 0.00 175.52 175.46 1itw n THR 403 N -3.58 0.00 -2.07 6.82 -2.24 -0.89 -4.96 114.28 107.36 1itw n THR 403 Ca -0.00 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 1itw n THR 403 Cb 0.48 0.73 0.02 0.00 -2.10 0.00 0.00 70.33 69.47 1itw n THR 403 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1itw s MET 404 N -1.43 3.07 0.00 -0.78 0.23 0.06 -3.73 119.30 116.71 1itw s MET 404 Ca 0.00 1.72 0.00 0.00 -1.03 0.00 0.00 55.69 56.38 1itw s MET 404 Cb 0.00 -1.95 0.00 0.00 -1.53 0.00 0.00 34.83 31.35 1itw s MET 404 CO 0.00 -1.10 0.00 0.41 -2.03 0.00 0.00 175.02 172.30 1itw n GLY 405 N 0.32 0.01 3.12 3.16 0.00 0.14 -4.81 105.19 107.13 1itw n GLY 405 Ca 0.13 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1itw n GLY 405 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1itw s SER 406 N -1.00 1.11 -0.48 1.61 0.01 -1.25 -4.95 113.70 108.75 1itw s SER 406 Ca 0.00 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 56.55 1itw s SER 406 Cb 0.00 0.04 0.15 0.00 0.21 0.00 0.00 66.02 66.42 1itw s SER 406 CO 0.00 -0.28 0.30 -0.69 0.41 0.00 0.00 173.24 172.98 1itw s VAL 407 N -2.21 1.47 1.10 3.43 1.01 -1.26 -1.34 120.40 122.60 1itw s VAL 407 Ca -0.00 -2.86 -0.16 0.00 0.00 0.00 0.00 61.98 58.97 1itw s VAL 407 Cb -0.04 -2.01 0.24 0.00 0.00 0.00 0.00 36.38 34.56 1itw s VAL 407 CO -0.01 -0.97 1.10 -2.84 0.00 0.00 0.00 175.10 172.38 1itw s PRO 408 N 0.00 -0.38 0.00 2.72 0.02 -1.22 -4.77 135.00 131.37 1itw s PRO 408 Ca 0.21 0.22 0.01 0.00 0.02 0.00 0.00 61.00 61.47 1itw s PRO 408 Cb -0.16 -1.67 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 1itw s PRO 408 CO -0.06 -3.21 -0.04 1.21 -0.33 0.00 0.00 177.00 174.57 1itw s ASN 409 N -3.67 0.47 -0.31 2.53 3.84 -0.87 -1.44 114.94 115.48 1itw s ASN 409 Ca 0.68 -0.13 0.03 0.00 0.21 0.00 0.00 52.86 53.65 1itw s ASN 409 Cb -0.14 -0.03 0.09 0.00 -0.55 0.00 0.00 41.25 40.61 1itw s ASN 409 CO 0.57 0.01 -0.00 -0.69 -2.79 0.00 0.00 177.10 174.19 1itw s VAL 410 N -0.27 2.29 -0.03 -5.21 1.01 0.01 -2.30 120.40 115.91 1itw s VAL 410 Ca -0.00 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 59.91 1itw s VAL 410 Cb -0.03 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1itw s VAL 410 CO -0.00 -0.39 -0.01 -0.83 0.00 0.00 0.00 175.10 173.87 1itw s GLY 411 N 1.01 1.85 -0.27 4.51 0.00 -0.08 -1.82 107.32 112.52 1itw s GLY 411 Ca 0.04 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 43.60 1itw s GLY 411 CO -0.07 -0.73 0.86 -2.27 0.00 0.00 0.00 173.10 170.89 1itw s LEU 412 N -1.29 4.07 0.00 0.66 2.96 -0.42 -0.54 118.68 124.12 1itw s LEU 412 Ca 0.17 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 1itw s LEU 412 Cb -0.11 -3.22 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1itw s LEU 412 CO 0.07 -0.60 0.00 1.15 -1.32 0.00 0.00 176.35 175.66 1itw n MET 413 N 6.18 0.00 -1.67 1.98 0.00 -1.26 -1.67 117.12 120.68 1itw n MET 413 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 57.70 57.30 1itw n MET 413 Cb 0.48 -0.12 -0.04 0.00 0.00 0.00 0.00 33.22 33.54 1itw n MET 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1itw n ALA 414 N 0.00 1.13 -3.39 3.17 0.00 -1.03 -3.08 120.51 117.31 1itw n ALA 414 Ca 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 53.44 53.70 1itw n ALA 414 Cb 0.15 -2.30 0.08 0.00 0.00 0.00 0.00 19.45 17.38 1itw n ALA 414 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1itw n GLN 415 N 2.69 -4.80 -4.03 0.00 6.02 -1.13 -3.29 117.38 112.84 1itw n GLN 415 Ca 0.14 0.83 -0.28 0.00 -0.01 0.00 0.00 57.00 57.68 1itw n GLN 415 Cb 0.30 -5.76 -0.04 0.00 1.02 0.00 0.00 30.24 25.76 1itw n GLN 415 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1itw n LYS 416 N -3.83 -2.49 -2.05 -1.09 5.02 -1.18 -4.87 118.16 107.68 1itw n LYS 416 Ca -0.21 0.32 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 1itw n LYS 416 Cb 0.65 -4.20 0.01 0.00 -0.02 0.00 0.00 35.03 31.47 1itw n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1itw s ALA 417 N -4.02 2.98 0.00 7.82 0.00 -1.21 -2.72 121.76 124.61 1itw s ALA 417 Ca 0.04 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1itw s ALA 417 Cb -0.02 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1itw s ALA 417 CO 0.92 -0.94 0.00 0.39 0.00 0.00 0.00 175.76 176.12 1itw n GLU 418 N -0.54 0.00 -0.34 0.00 1.02 0.57 -2.81 120.64 118.55 1itw n GLU 418 Ca 0.08 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.41 1itw n GLU 418 Cb 0.46 0.00 0.43 0.00 -0.02 0.00 0.00 31.44 32.31 1itw n GLU 418 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1itw h GLU 419 N 0.00 0.49 -0.07 3.49 3.07 -1.89 -1.57 114.58 118.11 1itw h GLU 419 Ca 0.00 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1itw h GLU 419 Cb 0.00 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1itw h GLU 419 CO 0.00 0.32 0.22 1.88 -1.40 0.00 0.00 179.01 180.04 1itw h TYR 420 N 0.51 0.00 -0.13 4.33 -1.99 -1.78 -1.44 116.97 116.47 1itw h TYR 420 Ca 0.64 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.37 1itw h TYR 420 Cb 1.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.09 1itw h TYR 420 CO -0.01 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.56 1itw n GLY 421 N -1.24 3.68 0.00 3.88 0.00 -0.59 -4.66 105.19 106.27 1itw n GLY 421 Ca -0.01 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.52 1itw n GLY 421 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1itw n SER 422 N -0.53 0.28 -0.13 1.61 3.41 -0.54 -4.41 113.62 113.32 1itw n SER 422 Ca 0.12 0.07 -0.04 0.00 -0.26 0.00 0.00 58.87 58.75 1itw n SER 422 Cb 0.54 -0.09 0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1itw n SER 422 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1itw h HIS 423 N 0.02 -0.25 0.00 7.33 3.86 -1.83 -0.51 115.15 123.77 1itw h HIS 423 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1itw h HIS 423 Cb 0.50 0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1itw h HIS 423 CO 0.00 -0.20 0.00 -0.40 0.86 0.00 0.00 177.93 178.19 1itw n ASP 424 N -5.33 0.00 -0.58 2.45 5.68 -1.26 -2.48 116.55 115.02 1itw n ASP 424 Ca 0.03 -0.88 0.06 0.00 -0.50 0.00 0.00 54.79 53.50 1itw n ASP 424 Cb 0.24 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.37 1itw n ASP 424 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1itw n LYS 425 N -0.92 1.20 -4.37 0.11 5.02 -0.23 -4.99 118.16 113.97 1itw n LYS 425 Ca 0.15 -2.81 -0.32 0.00 -2.02 0.00 0.00 58.31 53.31 1itw n LYS 425 Cb 0.07 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 33.62 1itw n LYS 425 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1itw s THR 426 N -2.51 1.98 0.02 -0.18 2.01 -1.03 -2.31 115.64 113.64 1itw s THR 426 Ca 0.34 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1itw s THR 426 Cb 0.33 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1itw s THR 426 CO -0.05 0.53 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.97 1itw s PHE 427 N 1.08 0.64 -0.36 4.92 0.40 -0.57 -4.99 117.98 119.11 1itw s PHE 427 Ca -0.01 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 55.76 1itw s PHE 427 Cb -0.14 -0.39 0.01 0.00 0.51 0.00 0.00 43.02 43.00 1itw s PHE 427 CO -0.07 -0.04 0.75 -1.14 0.70 0.00 0.00 175.22 175.41 1itw s GLN 428 N -0.99 3.75 0.03 0.44 0.74 -1.26 -1.28 119.66 121.09 1itw s GLN 428 Ca -0.04 0.27 -0.36 0.00 0.05 0.00 0.00 55.36 55.28 1itw s GLN 428 Cb -0.07 -3.80 -0.15 0.00 1.10 0.00 0.00 33.01 30.09 1itw s GLN 428 CO 0.00 -0.81 1.54 -0.89 -0.55 0.00 0.00 175.29 174.58 1itw n ILE 429 N 5.72 0.12 0.11 -2.34 2.08 0.81 -4.79 119.36 121.06 1itw n ILE 429 Ca 0.02 -0.02 -0.18 0.00 0.56 0.00 0.00 62.75 63.13 1itw n ILE 429 Cb 0.48 -1.22 -0.13 0.00 -0.75 0.00 0.00 39.64 38.03 1itw n ILE 429 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1itw h PRO 430 N 5.92 0.37 -3.54 0.38 0.11 -1.90 0.37 132.00 133.71 1itw h PRO 430 Ca -0.47 -0.58 -0.07 0.00 0.11 0.00 0.00 66.00 64.99 1itw h PRO 430 Cb 1.30 0.21 -0.14 0.00 0.11 0.00 0.00 31.00 32.48 1itw h PRO 430 CO 0.86 1.26 -0.21 0.00 -0.21 0.00 0.00 178.00 179.70 1itw s ALA 431 N -2.76 -0.62 0.59 -0.75 0.00 -1.26 -4.72 121.76 112.23 1itw s ALA 431 Ca -0.06 -0.26 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 1itw s ALA 431 Cb 0.07 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1itw s ALA 431 CO 0.90 -0.56 1.28 -0.51 0.00 0.00 0.00 175.76 176.87 1itw s ASP 432 N -2.71 5.07 0.00 0.00 1.11 -1.26 -4.23 116.67 114.65 1itw s ASP 432 Ca 0.02 2.58 0.00 0.00 0.18 0.00 0.00 52.55 55.33 1itw s ASP 432 Cb 0.03 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1itw s ASP 432 CO -0.10 -1.69 0.00 0.61 1.18 0.00 0.00 175.17 175.17 1itw n GLY 433 N 0.71 -0.14 2.97 0.21 0.00 -0.65 -3.26 105.19 105.02 1itw n GLY 433 Ca 0.13 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 1itw n GLY 433 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1itw s VAL 434 N -4.00 0.59 -0.24 1.61 -7.23 -0.64 -0.30 120.40 110.19 1itw s VAL 434 Ca 0.00 -0.27 -0.17 0.00 -1.81 0.00 0.00 61.98 59.73 1itw s VAL 434 Cb 0.00 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 1itw s VAL 434 CO 0.00 0.19 0.45 -0.69 -0.31 0.00 0.00 175.10 174.74 1itw s VAL 435 N 0.11 5.14 -0.06 1.32 1.01 0.30 -0.96 120.40 127.26 1itw s VAL 435 Ca -0.01 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1itw s VAL 435 Cb -0.06 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1itw s VAL 435 CO -0.00 0.16 -0.11 -0.13 0.00 0.00 0.00 175.10 175.02 1itw s ARG 436 N 1.86 2.68 -0.25 2.72 0.52 -0.30 -1.87 118.95 124.31 1itw s ARG 436 Ca 0.20 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 1itw s ARG 436 Cb -0.15 -2.49 0.05 0.00 0.52 0.00 0.00 34.95 32.87 1itw s ARG 436 CO 0.09 0.61 -0.11 0.08 0.02 0.00 0.00 175.30 176.00 1itw s VAL 437 N -0.69 2.35 0.08 3.52 1.01 0.14 -1.97 120.40 124.84 1itw s VAL 437 Ca 0.10 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.77 1itw s VAL 437 Cb -0.11 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1itw s VAL 437 CO 0.01 0.10 -0.20 0.42 0.00 0.00 0.00 175.10 175.43 1itw s THR 438 N 1.19 1.61 0.83 3.92 -4.23 -0.52 -0.96 115.64 117.47 1itw s THR 438 Ca -0.05 -1.40 -0.13 0.00 -1.18 0.00 0.00 61.69 58.93 1itw s THR 438 Cb -0.18 -1.46 0.19 0.00 1.34 0.00 0.00 72.50 72.39 1itw s THR 438 CO -0.06 -0.00 1.12 -0.90 -0.54 0.00 0.00 174.62 174.24 1itw n ASP 439 N 1.34 0.22 0.31 3.99 3.85 -0.67 0.14 116.55 125.73 1itw n ASP 439 Ca -0.19 -1.49 0.20 0.00 -0.71 0.00 0.00 54.79 52.60 1itw n ASP 439 Cb 0.54 -0.85 1.00 0.00 -1.35 0.00 0.00 41.12 40.46 1itw n ASP 439 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1itw h GLU 440 N 0.00 0.00 -0.00 0.11 5.08 -1.83 -1.03 114.58 116.91 1itw h GLU 440 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1itw h GLU 440 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1itw h GLU 440 CO 0.27 0.01 -0.23 -1.13 -1.00 0.00 0.00 179.01 176.93 1itw n SER 441 N -3.17 0.37 0.00 1.42 3.41 -1.26 -4.91 113.62 109.48 1itw n SER 441 Ca -0.02 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1itw n SER 441 Cb 0.16 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1itw n SER 441 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1itw n GLY 442 N 1.43 0.74 3.76 5.00 0.00 -0.39 -5.06 105.19 110.67 1itw n GLY 442 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1itw n GLY 442 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1itw s LYS 443 N -0.70 4.61 -0.26 1.61 2.20 -1.26 -4.79 119.74 121.16 1itw s LYS 443 Ca 0.00 1.83 -0.19 0.00 -0.36 0.00 0.00 55.97 57.25 1itw s LYS 443 Cb 0.00 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1itw s LYS 443 CO 0.00 0.17 0.59 -1.17 -0.36 0.00 0.00 175.35 174.58 1itw s LEU 444 N -1.35 4.06 -0.22 5.43 2.96 -1.26 -1.67 118.68 126.62 1itw s LEU 444 Ca 0.45 0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 54.98 1itw s LEU 444 Cb -0.32 -2.79 -0.13 0.00 0.50 0.00 0.00 46.19 43.45 1itw s LEU 444 CO 0.41 -0.35 -0.22 0.18 -1.32 0.00 0.00 176.35 175.05 1itw n LEU 445 N 5.66 2.64 -3.99 -0.68 4.32 -0.13 -5.00 117.00 119.81 1itw n LEU 445 Ca -0.02 -0.01 -0.22 0.00 -0.02 0.00 0.00 56.01 55.74 1itw n LEU 445 Cb 0.49 -0.75 -0.16 0.00 -1.62 0.00 0.00 43.42 41.38 1itw n LEU 445 CO 0.42 0.77 -0.45 -0.76 -1.22 0.00 0.00 177.39 176.16 1itw s LEU 446 N -6.54 1.65 -0.03 2.23 1.02 -1.12 -4.83 118.68 111.06 1itw s LEU 446 Ca -0.30 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 53.62 1itw s LEU 446 Cb 0.09 -0.64 0.03 0.00 0.02 0.00 0.00 46.19 45.69 1itw s LEU 446 CO 0.48 0.04 0.03 -0.70 0.02 0.00 0.00 176.35 176.21 1itw s GLU 447 N 0.48 0.09 -0.03 1.70 2.12 -1.26 -0.69 118.70 121.12 1itw s GLU 447 Ca -0.09 0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1itw s GLU 447 Cb -0.12 -0.42 0.03 0.00 0.26 0.00 0.00 34.13 33.87 1itw s GLU 447 CO 0.02 -0.21 0.03 -1.14 -0.54 0.00 0.00 175.26 173.41 1itw s GLN 448 N 1.38 0.09 0.25 4.30 2.00 -0.78 -4.97 119.66 121.93 1itw s GLN 448 Ca -0.05 0.19 -0.30 0.00 -2.00 0.00 0.00 55.36 53.20 1itw s GLN 448 Cb -0.13 -0.40 -0.09 0.00 0.80 0.00 0.00 33.01 33.19 1itw s GLN 448 CO -0.03 -0.20 1.18 -1.12 -0.50 0.00 0.00 175.29 174.63 1itw s SER 449 N 1.31 7.09 0.06 6.67 0.01 -1.26 -0.54 113.70 127.05 1itw s SER 449 Ca -0.06 2.34 -0.01 0.00 1.31 0.00 0.00 55.95 59.53 1itw s SER 449 Cb -0.13 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 1itw s SER 449 CO -0.03 -0.31 -0.01 0.68 0.41 0.00 0.00 173.24 173.98 1itw s VAL 450 N -0.72 0.20 0.16 3.43 -7.23 0.59 -4.91 120.40 111.91 1itw s VAL 450 Ca 0.49 -1.81 0.10 0.00 -1.81 0.00 0.00 61.98 58.95 1itw s VAL 450 Cb -0.34 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1itw s VAL 450 CO 0.42 -0.90 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.48 1itw s GLU 451 N -3.94 1.36 0.22 4.82 2.02 -1.26 -1.64 118.70 120.27 1itw s GLU 451 Ca 0.10 -1.40 -0.32 0.00 0.02 0.00 0.00 54.97 53.37 1itw s GLU 451 Cb 0.08 -1.63 -0.14 0.00 0.10 0.00 0.00 34.13 32.54 1itw s GLU 451 CO -0.08 0.36 1.34 0.00 0.02 0.00 0.00 175.26 176.89 1itw n ALA 452 N 0.53 0.55 0.00 5.21 0.00 -1.26 -1.16 120.51 124.37 1itw n ALA 452 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1itw n ALA 452 Cb 0.55 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1itw n ALA 452 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itw n GLY 453 N 2.12 1.77 3.70 0.00 0.00 0.13 -4.89 105.19 108.03 1itw n GLY 453 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1itw n GLY 453 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1itw s ASP 454 N -2.20 3.26 -0.34 1.61 -0.00 -0.31 -4.55 116.67 114.14 1itw s ASP 454 Ca 0.00 1.45 -0.00 0.00 -0.00 0.00 0.00 52.55 54.00 1itw s ASP 454 Cb 0.00 -2.13 0.08 0.00 -0.00 0.00 0.00 42.92 40.87 1itw s ASP 454 CO 0.00 -2.77 0.06 -0.63 -0.00 0.00 0.00 175.17 171.83 1itw s ILE 455 N -2.92 2.83 -0.03 0.77 1.01 -0.88 -0.14 121.20 121.83 1itw s ILE 455 Ca 0.64 -1.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.39 1itw s ILE 455 Cb -0.18 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1itw s ILE 455 CO 0.57 -0.38 0.24 0.86 0.00 0.00 0.00 174.94 176.23 1itw s TRP 456 N 1.12 3.60 -0.03 3.97 -0.00 -0.40 -1.23 118.94 125.97 1itw s TRP 456 Ca 0.02 0.58 -0.13 0.00 -0.00 0.00 0.00 56.10 56.58 1itw s TRP 456 Cb -0.21 -1.99 0.02 0.00 -0.00 0.00 0.00 33.47 31.29 1itw s TRP 456 CO -0.04 0.65 0.28 -0.98 -0.00 0.00 0.00 176.95 176.86 1itw s ARG 457 N -1.51 0.58 -0.05 5.86 1.70 -0.51 -1.51 118.95 123.52 1itw s ARG 457 Ca 0.24 -0.13 0.04 0.00 -0.47 0.00 0.00 55.73 55.40 1itw s ARG 457 Cb -0.13 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 1itw s ARG 457 CO 0.13 -0.15 -0.16 1.41 -1.08 0.00 0.00 175.30 175.45 1itw s MET 458 N -1.10 1.73 0.29 3.89 1.75 -0.98 -1.50 119.30 123.39 1itw s MET 458 Ca -0.12 -0.55 0.10 0.00 -1.25 0.00 0.00 55.69 53.87 1itw s MET 458 Cb -0.05 -1.48 -0.05 0.00 2.84 0.00 0.00 34.83 36.09 1itw s MET 458 CO 0.03 0.19 -0.01 0.00 -0.65 0.00 0.00 175.02 174.58 1itw s GLN 460 N -3.68 0.82 -0.20 0.00 -0.21 -1.26 -2.42 119.66 112.70 1itw s GLN 460 Ca 0.33 -0.27 -0.03 0.00 0.02 0.00 0.00 55.36 55.41 1itw s GLN 460 Cb -0.04 -0.78 0.06 0.00 1.00 0.00 0.00 33.01 33.24 1itw s GLN 460 CO 0.19 0.11 0.03 0.00 -2.12 0.00 0.00 175.29 173.50 1itw s ALA 461 N 0.15 1.06 0.42 6.09 0.00 -0.07 -0.31 121.76 129.10 1itw s ALA 461 Ca -0.02 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 1itw s ALA 461 Cb -0.07 -1.20 -0.09 0.00 0.00 0.00 0.00 23.12 21.75 1itw s ALA 461 CO 0.00 -1.19 0.89 0.15 0.00 0.00 0.00 175.76 175.60 1itw s LYS 462 N 1.83 4.07 0.14 0.00 1.02 -1.26 -0.36 119.74 125.18 1itw s LYS 462 Ca -0.01 0.91 -0.13 0.00 0.02 0.00 0.00 55.97 56.76 1itw s LYS 462 Cb -0.17 -2.25 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1itw s LYS 462 CO -0.08 -0.03 1.58 0.22 -0.92 0.00 0.00 175.35 176.12 1itw h ASP 463 N 1.74 0.78 0.12 2.83 1.82 -1.86 -2.89 116.42 118.95 1itw h ASP 463 Ca -0.48 -0.31 0.02 0.00 -0.39 0.00 0.00 57.03 55.86 1itw h ASP 463 Cb 1.18 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.95 1itw h ASP 463 CO 0.62 0.90 -0.24 0.00 -1.61 0.00 0.00 179.24 178.91 1itw h ALA 464 N 0.90 -0.40 -0.74 -0.78 0.00 -1.95 -0.65 119.26 115.65 1itw h ALA 464 Ca 0.12 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1itw h ALA 464 Cb 0.51 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 1itw h ALA 464 CO 0.02 -0.77 0.32 -1.35 0.00 0.00 0.00 179.25 177.48 1itw h PRO 465 N -0.44 0.48 -0.43 0.00 0.11 -1.89 -1.20 132.00 128.63 1itw h PRO 465 Ca 0.03 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1itw h PRO 465 Cb 0.46 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1itw h PRO 465 CO -0.14 0.32 0.20 0.82 -0.21 0.00 0.00 178.00 179.00 1itw h ILE 466 N 0.50 1.18 -0.68 4.15 2.04 -1.21 0.81 117.51 124.30 1itw h ILE 466 Ca 0.40 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1itw h ILE 466 Cb 0.55 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1itw h ILE 466 CO -0.36 0.20 0.38 1.56 0.00 0.00 0.00 178.15 179.93 1itw h GLN 467 N 0.56 0.95 -0.60 2.37 4.20 -0.42 -1.00 115.11 121.16 1itw h GLN 467 Ca 0.15 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1itw h GLN 467 Cb 0.13 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1itw h GLN 467 CO -0.02 0.70 0.18 0.22 -0.67 0.00 0.00 178.83 179.25 1itw h ASP 468 N 0.93 0.83 -0.62 1.46 1.82 -0.93 -1.59 116.42 118.33 1itw h ASP 468 Ca 0.24 -0.14 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 1itw h ASP 468 Cb 0.03 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 39.80 1itw h ASP 468 CO -0.04 0.79 0.23 -0.25 -1.61 0.00 0.00 179.24 178.36 1itw h TRP 469 N 0.87 0.95 -0.56 0.28 7.01 -0.20 -0.86 115.95 123.45 1itw h TRP 469 Ca 0.20 -0.08 -0.09 0.00 2.11 0.00 0.00 58.89 61.03 1itw h TRP 469 Cb 0.25 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1itw h TRP 469 CO 0.02 0.76 -0.01 0.28 -2.79 0.00 0.00 178.44 176.70 1itw h VAL 470 N 0.87 1.27 -0.67 2.65 2.07 -0.79 -1.85 116.25 119.79 1itw h VAL 470 Ca 0.20 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1itw h VAL 470 Cb 0.23 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1itw h VAL 470 CO -0.01 0.41 0.42 0.50 0.02 0.00 0.00 177.57 178.90 1itw h LYS 471 N 0.87 0.90 -0.41 1.57 3.64 -0.96 -1.73 116.57 120.45 1itw h LYS 471 Ca 0.16 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1itw h LYS 471 Cb 0.55 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1itw h LYS 471 CO 0.03 0.62 -0.04 1.25 -2.27 0.00 0.00 179.45 179.05 1itw h LEU 472 N 0.91 0.64 -0.32 5.20 5.85 -0.99 -0.90 115.31 125.70 1itw h LEU 472 Ca 0.24 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1itw h LEU 472 Cb -0.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1itw h LEU 472 CO -0.05 0.74 0.13 0.00 -0.34 0.00 0.00 178.44 178.92 1itw h ALA 473 N 1.33 0.41 -0.49 1.25 0.00 -0.65 -1.17 119.26 119.95 1itw h ALA 473 Ca 0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1itw h ALA 473 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1itw h ALA 473 CO 0.02 0.01 -0.12 0.28 0.00 0.00 0.00 179.25 179.44 1itw h VAL 474 N 0.37 1.27 -0.06 0.00 2.07 -1.15 -1.76 116.25 116.99 1itw h VAL 474 Ca 0.11 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.40 1itw h VAL 474 Cb 0.18 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1itw h VAL 474 CO -0.01 0.44 -0.19 -1.13 0.02 0.00 0.00 177.57 176.70 1itw h ASN 475 N 0.80 -0.56 -0.67 0.57 -0.73 -0.95 -0.32 115.58 113.72 1itw h ASN 475 Ca 0.12 0.09 -0.06 0.00 1.87 0.00 0.00 56.30 58.33 1itw h ASN 475 Cb 0.68 0.25 -0.03 0.00 0.27 0.00 0.00 38.32 39.48 1itw h ASN 475 CO 0.05 -0.25 0.20 0.03 -0.37 0.00 0.00 177.43 177.09 1itw h ARG 476 N -0.28 1.07 -0.30 6.67 2.47 -1.16 -0.06 114.38 122.79 1itw h ARG 476 Ca 0.07 -0.23 0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1itw h ARG 476 Cb 0.38 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1itw h ARG 476 CO -0.22 0.92 0.17 0.00 0.56 0.00 0.00 179.97 181.41 1itw h ALA 477 N 1.19 0.37 -0.07 0.04 0.00 -0.78 -2.35 119.26 117.66 1itw h ALA 477 Ca 0.22 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1itw h ALA 477 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1itw h ALA 477 CO -0.01 -0.20 -0.79 -0.09 0.00 0.00 0.00 179.25 178.17 1itw h ARG 478 N 0.36 0.49 0.00 0.00 2.43 -0.89 0.27 114.38 117.04 1itw h ARG 478 Ca 0.12 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 1itw h ARG 478 Cb 0.00 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1itw h ARG 478 CO -0.06 1.06 -0.13 0.00 -1.51 0.00 0.00 179.97 179.34 1itw h ALA 479 N 0.81 1.40 -0.00 2.80 0.00 -0.83 -3.13 119.26 120.32 1itw h ALA 479 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1itw h ALA 479 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1itw h ALA 479 CO 0.14 0.16 -0.05 0.25 0.00 0.00 0.00 179.25 179.75 1itw n THR 480 N -3.82 0.00 -3.65 0.00 -2.24 -0.90 -5.01 114.28 98.66 1itw n THR 480 Ca -0.02 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 61.05 1itw n THR 480 Cb 0.23 1.01 0.06 0.00 -2.10 0.00 0.00 70.33 69.53 1itw n THR 480 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1itw n ASN 481 N -0.79 -4.13 -4.37 3.42 5.15 0.92 -4.99 115.26 110.46 1itw n ASN 481 Ca 0.00 -0.66 -0.31 0.00 -0.60 0.00 0.00 54.58 53.01 1itw n ASN 481 Cb 0.03 -4.63 -0.15 0.00 -0.53 0.00 0.00 39.78 34.50 1itw n ASN 481 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1itw s THR 482 N -3.38 2.40 0.39 -0.44 2.01 -0.97 -5.05 115.64 110.61 1itw s THR 482 Ca 0.37 -1.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.04 1itw s THR 482 Cb -0.17 -1.90 -0.10 0.00 0.01 0.00 0.00 72.50 70.34 1itw s THR 482 CO 0.77 0.53 1.44 -2.84 -0.69 0.00 0.00 174.62 173.83 1itw s PRO 483 N -0.82 4.01 -0.04 4.92 0.02 -1.26 -4.62 135.00 137.21 1itw s PRO 483 Ca 0.11 2.48 0.06 0.00 0.02 0.00 0.00 61.00 63.67 1itw s PRO 483 Cb -0.10 -2.88 -0.02 0.00 0.02 0.00 0.00 34.50 31.52 1itw s PRO 483 CO 0.00 -0.58 -0.23 0.00 -0.33 0.00 0.00 177.00 175.87 1itw s ALA 484 N -1.15 2.30 -0.08 -1.55 0.00 0.18 -1.25 121.76 120.21 1itw s ALA 484 Ca 0.55 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.46 1itw s ALA 484 Cb -0.45 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.00 1itw s ALA 484 CO 0.60 0.52 -0.14 0.08 0.00 0.00 0.00 175.76 176.82 1itw s VAL 485 N -0.56 1.31 -0.21 0.00 1.01 -0.22 -1.67 120.40 120.06 1itw s VAL 485 Ca 0.08 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1itw s VAL 485 Cb -0.11 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1itw s VAL 485 CO 0.00 0.40 0.65 -0.36 0.00 0.00 0.00 175.10 175.79 1itw s PHE 486 N 0.82 3.35 -0.77 5.22 0.40 0.74 -0.84 117.98 126.91 1itw s PHE 486 Ca -0.11 0.93 -0.21 0.00 -0.60 0.00 0.00 56.93 56.94 1itw s PHE 486 Cb -0.15 -2.83 0.09 0.00 0.51 0.00 0.00 43.02 40.63 1itw s PHE 486 CO 0.02 -0.22 1.03 -1.58 0.70 0.00 0.00 175.22 175.17 1itw s TRP 487 N 2.10 2.84 -0.03 0.36 0.52 -0.39 -0.36 118.94 123.97 1itw s TRP 487 Ca 0.29 -0.88 -0.01 0.00 0.02 0.00 0.00 56.10 55.52 1itw s TRP 487 Cb -0.16 -4.30 0.03 0.00 -1.15 0.00 0.00 33.47 27.89 1itw s TRP 487 CO 0.10 -1.59 0.05 -0.51 0.02 0.00 0.00 176.95 175.02 1itw s LEU 488 N 3.56 1.11 -0.39 2.99 1.43 0.37 -4.64 118.68 123.10 1itw s LEU 488 Ca 0.27 0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.30 1itw s LEU 488 Cb -0.12 0.04 0.01 0.00 0.03 0.00 0.00 46.19 46.15 1itw s LEU 488 CO 0.02 -0.12 0.38 -0.62 0.23 0.00 0.00 176.35 176.24 1itw s ASP 489 N 0.96 6.17 0.56 2.29 3.68 -1.26 -2.90 116.67 126.16 1itw s ASP 489 Ca -0.08 -0.55 0.25 0.00 2.13 0.00 0.00 52.55 54.31 1itw s ASP 489 Cb -0.11 -2.20 1.49 0.00 -1.45 0.00 0.00 42.92 40.65 1itw s ASP 489 CO -0.03 -0.46 2.06 -0.65 0.13 0.00 0.00 175.17 176.22 1itw h PRO 490 N 8.61 0.00 0.00 4.34 0.11 -1.95 -0.03 132.00 143.08 1itw h PRO 490 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1itw h PRO 490 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1itw h PRO 490 CO 0.74 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.49 1itw h ALA 491 N 1.78 1.05 -2.79 -0.75 0.00 -1.98 -3.41 119.26 113.16 1itw h ALA 491 Ca 0.13 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.43 1itw h ALA 491 Cb 0.62 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1itw h ALA 491 CO -0.00 0.06 -0.03 1.03 0.00 0.00 0.00 179.25 180.30 1itw s ARG 492 N -3.87 4.35 0.18 0.00 0.52 -0.02 -4.97 118.95 115.14 1itw s ARG 492 Ca -0.01 0.67 -0.14 0.00 -0.52 0.00 0.00 55.73 55.73 1itw s ARG 492 Cb 0.11 -3.40 0.09 0.00 0.52 0.00 0.00 34.95 32.27 1itw s ARG 492 CO 0.53 0.22 1.82 0.00 0.02 0.00 0.00 175.30 177.89 1itw h ALA 493 N 6.31 0.66 0.58 2.13 0.00 -1.82 0.48 119.26 127.60 1itw h ALA 493 Ca -0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1itw h ALA 493 Cb 1.19 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1itw h ALA 493 CO 0.73 0.03 -0.28 1.25 0.00 0.00 0.00 179.25 180.98 1itw h HIS 494 N 0.63 -0.73 -0.94 0.00 -0.00 -1.89 -2.44 115.15 109.78 1itw h HIS 494 Ca 0.20 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.67 1itw h HIS 494 Cb 0.00 0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 27.58 1itw h HIS 494 CO -0.06 -0.44 0.60 -0.44 -0.00 0.00 0.00 177.93 177.59 1itw h ASP 495 N -0.81 0.82 -0.91 3.26 5.19 -1.75 -0.48 116.42 121.75 1itw h ASP 495 Ca -0.08 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1itw h ASP 495 Cb 0.61 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.95 1itw h ASP 495 CO 0.13 0.45 0.57 0.00 -3.12 0.00 0.00 179.24 177.27 1itw h ALA 496 N 1.56 1.15 -0.60 3.45 0.00 -0.72 0.23 119.26 124.33 1itw h ALA 496 Ca 0.46 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1itw h ALA 496 Cb 0.51 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1itw h ALA 496 CO -0.22 0.59 0.14 1.96 0.00 0.00 0.00 179.25 181.71 1itw h GLN 497 N 1.24 0.97 -0.25 0.00 1.08 -0.63 -2.14 115.11 115.38 1itw h GLN 497 Ca 0.33 -0.24 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 1itw h GLN 497 Cb -0.09 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 1itw h GLN 497 CO -0.07 0.89 -0.29 0.28 -0.95 0.00 0.00 178.83 178.70 1itw h VAL 498 N 0.88 1.28 -0.41 -0.54 2.07 -0.62 -2.61 116.25 116.30 1itw h VAL 498 Ca 0.19 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1itw h VAL 498 Cb 0.37 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1itw h VAL 498 CO 0.00 0.43 0.02 0.40 0.02 0.00 0.00 177.57 178.44 1itw h ILE 499 N 0.44 1.21 -0.18 4.57 2.04 -0.23 0.02 117.51 125.38 1itw h ILE 499 Ca 0.06 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1itw h ILE 499 Cb 0.73 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1itw h ILE 499 CO 0.06 0.30 0.05 0.00 0.00 0.00 0.00 178.15 178.55 1itw h ALA 500 N 1.42 0.24 -0.46 1.87 0.00 -1.03 -1.76 119.26 119.54 1itw h ALA 500 Ca 0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1itw h ALA 500 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1itw h ALA 500 CO 0.01 -0.13 0.09 0.87 0.00 0.00 0.00 179.25 180.08 1itw h LYS 501 N 0.11 0.75 0.22 0.00 1.57 -1.21 -2.55 116.57 115.46 1itw h LYS 501 Ca 0.06 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1itw h LYS 501 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1itw h LYS 501 CO -0.00 0.76 -0.14 0.28 -0.57 0.00 0.00 179.45 179.78 1itw h VAL 502 N 0.62 0.70 -0.71 0.50 2.07 -0.91 0.22 116.25 118.73 1itw h VAL 502 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.72 1itw h VAL 502 Cb 0.37 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1itw h VAL 502 CO 0.01 0.00 0.47 -0.33 0.02 0.00 0.00 177.57 177.73 1itw h GLU 503 N -0.35 0.72 -0.01 1.57 5.08 -1.33 -0.23 114.58 120.02 1itw h GLU 503 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1itw h GLU 503 Cb 0.30 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1itw h GLU 503 CO 0.01 0.47 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.37 1itw h ARG 504 N 0.74 0.05 0.00 2.33 9.65 -1.03 -3.31 114.38 122.81 1itw h ARG 504 Ca 0.31 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.13 1itw h ARG 504 Cb 0.26 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1itw h ARG 504 CO -0.10 0.67 -0.12 1.88 2.80 0.00 0.00 179.97 185.10 1itw h TYR 505 N -0.57 0.00 0.00 2.20 0.99 -0.30 -2.51 116.97 116.79 1itw h TYR 505 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1itw h TYR 505 Cb 0.68 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.41 1itw h TYR 505 CO 0.15 0.12 0.00 -0.07 -0.00 0.00 0.00 178.16 178.35 1itw h LEU 506 N 0.00 0.00 -0.87 3.88 3.38 -1.12 -1.94 115.31 118.63 1itw h LEU 506 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1itw h LEU 506 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1itw h LEU 506 CO 0.02 0.00 -0.30 0.11 0.09 0.00 0.00 178.44 178.36 1itw h LYS 507 N 0.00 0.00 0.00 1.13 1.57 -1.56 -2.79 116.57 114.92 1itw h LYS 507 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1itw h LYS 507 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1itw h LYS 507 CO 0.00 0.30 0.00 -0.25 -0.57 0.00 0.00 179.45 178.93 1itw n ASP 508 N -3.39 0.00 -4.50 0.86 8.00 -0.73 -4.78 116.55 112.01 1itw n ASP 508 Ca 0.00 0.14 -0.24 0.00 0.71 0.00 0.00 54.79 55.40 1itw n ASP 508 Cb 0.50 -0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 41.15 1itw n ASP 508 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1itw s TYR 509 N -2.69 2.25 -0.96 1.24 1.51 -1.05 -5.08 117.35 112.56 1itw s TYR 509 Ca 0.17 -0.51 -0.14 0.00 -1.01 0.00 0.00 57.07 55.58 1itw s TYR 509 Cb 0.14 -1.22 0.21 0.00 -0.11 0.00 0.00 41.96 40.98 1itw s TYR 509 CO 0.33 0.54 0.99 0.34 -1.11 0.00 0.00 175.55 176.64 1itw s ASP 510 N -3.54 6.92 0.00 2.29 2.15 -1.26 -4.85 116.67 118.38 1itw s ASP 510 Ca 0.31 -2.84 0.00 0.00 0.43 0.00 0.00 52.55 50.45 1itw s ASP 510 Cb 0.01 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1itw s ASP 510 CO 0.15 -0.61 0.86 0.35 -0.17 0.00 0.00 175.17 175.75 1itw n THR 511 N 3.99 0.00 -1.78 1.71 -2.24 -1.26 -4.87 114.28 109.83 1itw n THR 511 Ca 0.21 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.57 1itw n THR 511 Cb 0.45 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 1itw n THR 511 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1itw s SER 512 N -0.85 6.39 0.00 3.42 0.15 -1.26 -1.29 113.70 120.26 1itw s SER 512 Ca 0.00 2.90 0.00 0.00 0.70 0.00 0.00 55.95 59.55 1itw s SER 512 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1itw s SER 512 CO 0.00 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.13 1itw n GLY 513 N 2.72 1.01 3.78 9.45 0.00 -1.26 -5.02 105.19 115.87 1itw n GLY 513 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1itw n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1itw s LEU 514 N 0.00 3.50 -0.68 0.99 1.43 -0.41 -5.07 118.68 118.44 1itw s LEU 514 Ca 0.00 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1itw s LEU 514 Cb 0.00 -2.04 0.17 0.00 0.03 0.00 0.00 46.19 44.34 1itw s LEU 514 CO 0.00 -0.21 0.47 -0.62 0.23 0.00 0.00 176.35 176.22 1itw s ASP 515 N -3.87 4.87 -0.13 2.29 -1.08 -1.26 -5.06 116.67 112.43 1itw s ASP 515 Ca 0.37 -3.59 -0.03 0.00 -0.52 0.00 0.00 52.55 48.78 1itw s ASP 515 Cb -0.05 -1.68 -0.03 0.00 -1.46 0.00 0.00 42.92 39.69 1itw s ASP 515 CO 0.24 -0.15 -0.04 -0.63 0.52 0.00 0.00 175.17 175.12 1itw s ILE 516 N -1.10 3.91 0.13 4.11 1.01 -1.26 -0.65 121.20 127.35 1itw s ILE 516 Ca 0.23 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.42 1itw s ILE 516 Cb -0.11 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 1itw s ILE 516 CO -0.11 0.52 0.27 0.00 0.00 0.00 0.00 174.94 175.62 1itw s ARG 517 N 0.03 1.04 -0.12 2.79 1.70 -0.67 -4.99 118.95 118.72 1itw s ARG 517 Ca 0.00 -1.04 0.02 0.00 -0.47 0.00 0.00 55.73 54.25 1itw s ARG 517 Cb -0.13 0.38 -0.00 0.00 -0.57 0.00 0.00 34.95 34.62 1itw s ARG 517 CO 0.03 -0.37 -0.19 0.42 -1.08 0.00 0.00 175.30 174.11 1itw s ILE 518 N -3.91 2.48 0.03 4.99 1.01 -1.26 -0.18 121.20 124.35 1itw s ILE 518 Ca 0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1itw s ILE 518 Cb 0.04 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 1itw s ILE 518 CO -0.05 0.54 -0.00 -0.76 0.00 0.00 0.00 174.94 174.66 1itw s LEU 519 N 0.46 2.20 0.76 2.97 1.43 0.51 -4.91 118.68 122.10 1itw s LEU 519 Ca -0.13 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 1itw s LEU 519 Cb -0.17 0.22 0.05 0.00 0.03 0.00 0.00 46.19 46.33 1itw s LEU 519 CO 0.06 -0.40 1.14 -0.94 0.23 0.00 0.00 176.35 176.43 1itw s SER 520 N -1.89 4.27 0.20 2.29 1.04 -1.14 -0.48 113.70 117.98 1itw s SER 520 Ca -0.09 2.09 -0.16 0.00 0.48 0.00 0.00 55.95 58.28 1itw s SER 520 Cb -0.04 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.71 1itw s SER 520 CO -0.03 -2.20 1.63 -0.65 0.98 0.00 0.00 173.24 172.96 1itw h PRO 521 N -0.72 -0.04 -0.07 4.02 0.11 -1.85 0.34 132.00 133.79 1itw h PRO 521 Ca -0.45 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1itw h PRO 521 Cb 1.26 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1itw h PRO 521 CO 0.50 -0.03 -0.12 0.28 -0.21 0.00 0.00 178.00 178.42 1itw h VAL 522 N -0.04 0.67 -0.57 3.15 2.07 -1.91 0.98 116.25 120.61 1itw h VAL 522 Ca 0.27 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.69 1itw h VAL 522 Cb 0.45 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1itw h VAL 522 CO -0.60 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 176.62 1itw h GLU 523 N -0.17 1.02 -0.44 1.57 4.39 -1.75 -1.07 114.58 118.13 1itw h GLU 523 Ca 0.07 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 1itw h GLU 523 Cb 0.27 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1itw h GLU 523 CO -0.17 1.03 0.16 0.00 -1.16 0.00 0.00 179.01 178.87 1itw h ALA 524 N 1.01 1.46 -0.05 3.43 0.00 -0.04 -0.16 119.26 124.91 1itw h ALA 524 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1itw h ALA 524 Cb 0.59 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1itw h ALA 524 CO 0.04 0.41 -0.02 1.15 0.00 0.00 0.00 179.25 180.83 1itw h THR 525 N 0.63 1.31 -0.70 0.00 2.02 -0.28 -0.53 112.91 115.36 1itw h THR 525 Ca 0.15 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.39 1itw h THR 525 Cb 0.15 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 1itw h THR 525 CO -0.01 0.26 0.45 0.03 0.37 0.00 0.00 175.52 176.62 1itw h ARG 526 N -0.28 0.86 -0.26 6.66 3.08 -0.85 -0.66 114.38 122.94 1itw h ARG 526 Ca 0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1itw h ARG 526 Cb 0.43 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1itw h ARG 526 CO 0.01 0.57 0.08 0.35 -1.07 0.00 0.00 179.97 179.91 1itw h PHE 527 N 0.89 0.42 -0.58 3.04 3.57 -0.97 -1.74 116.94 121.57 1itw h PHE 527 Ca 0.28 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 1itw h PHE 527 Cb -0.02 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1itw h PHE 527 CO -0.04 0.46 0.11 0.77 -2.23 0.00 0.00 178.31 177.39 1itw h SER 528 N 0.26 0.91 -0.37 0.41 0.02 -0.81 -2.47 113.55 111.51 1itw h SER 528 Ca 0.08 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.68 1itw h SER 528 Cb 0.24 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1itw h SER 528 CO -0.00 0.92 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.39 1itw h LEU 529 N 0.85 0.83 -0.35 5.07 3.38 -1.10 0.27 115.31 124.26 1itw h LEU 529 Ca 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1itw h LEU 529 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1itw h LEU 529 CO 0.01 0.99 0.23 0.00 0.09 0.00 0.00 178.44 179.76 1itw h ALA 530 N 1.08 0.45 -0.25 1.53 0.00 -1.16 -1.67 119.26 119.24 1itw h ALA 530 Ca 0.11 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1itw h ALA 530 Cb 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1itw h ALA 530 CO 0.05 -0.09 -0.61 0.00 0.00 0.00 0.00 179.25 178.60 1itw h ARG 531 N 0.48 0.83 -0.79 0.00 3.08 -1.23 -2.89 114.38 113.86 1itw h ARG 531 Ca 0.13 -0.57 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 1itw h ARG 531 Cb -0.06 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1itw h ARG 531 CO -0.03 1.19 0.43 0.97 -1.07 0.00 0.00 179.97 181.47 1itw h ILE 532 N 0.62 1.23 0.00 2.04 2.10 -0.26 0.22 117.51 123.46 1itw h ILE 532 Ca -0.00 -0.58 -0.07 0.00 1.08 0.00 0.00 64.86 65.29 1itw h ILE 532 Cb 1.22 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 1itw h ILE 532 CO 0.13 0.26 -0.31 0.03 -1.08 0.00 0.00 178.15 177.18 1itw h ARG 533 N 1.10 0.00 -0.01 2.19 3.08 -1.32 0.41 114.38 119.83 1itw h ARG 533 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1itw h ARG 533 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1itw h ARG 533 CO -0.04 0.31 0.00 0.39 -1.07 0.00 0.00 179.97 179.56 1itw n GLU 534 N -3.47 1.13 -0.89 0.04 1.02 -0.44 -4.75 120.64 113.28 1itw n GLU 534 Ca -0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1itw n GLU 534 Cb 0.48 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1itw n GLU 534 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1itw n GLY 535 N 0.97 0.54 3.94 0.62 0.00 -0.69 -4.92 105.19 105.64 1itw n GLY 535 Ca 0.20 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1itw n GLY 535 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itw s LYS 536 N -0.35 3.45 0.23 1.61 1.02 0.66 -4.12 119.74 122.24 1itw s LYS 536 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.49 1itw s LYS 536 Cb 0.00 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1itw s LYS 536 CO 0.00 0.53 0.38 -0.51 -0.92 0.00 0.00 175.35 174.83 1itw s ASP 537 N -3.03 6.33 -0.16 2.83 1.01 -1.26 -3.25 116.67 119.14 1itw s ASP 537 Ca 0.35 0.23 -0.08 0.00 0.71 0.00 0.00 52.55 53.77 1itw s ASP 537 Cb -0.12 -1.93 0.06 0.00 1.01 0.00 0.00 42.92 41.94 1itw s ASP 537 CO 0.28 -0.08 0.37 -0.89 0.21 0.00 0.00 175.17 175.06 1itw s THR 538 N -1.97 -0.15 -0.04 -1.27 2.01 -0.45 -4.57 115.64 109.20 1itw s THR 538 Ca 0.36 0.13 -0.22 0.00 0.31 0.00 0.00 61.69 62.27 1itw s THR 538 Cb -0.10 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1itw s THR 538 CO 0.30 0.05 0.66 -0.63 -0.69 0.00 0.00 174.62 174.32 1itw s ILE 539 N 1.64 4.99 -0.23 1.82 1.01 -0.38 -3.42 121.20 126.63 1itw s ILE 539 Ca -0.07 1.37 -0.09 0.00 0.00 0.00 0.00 60.65 61.85 1itw s ILE 539 Cb -0.10 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1itw s ILE 539 CO -0.12 0.31 0.12 -0.94 0.00 0.00 0.00 174.94 174.32 1itw s SER 540 N 0.46 5.81 -0.30 3.58 1.04 -0.52 -1.05 113.70 122.71 1itw s SER 540 Ca 0.35 0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 1itw s SER 540 Cb -0.18 -2.04 0.03 0.00 0.10 0.00 0.00 66.02 63.93 1itw s SER 540 CO 0.18 0.06 0.04 -0.69 0.98 0.00 0.00 173.24 173.81 1itw s VAL 541 N 1.06 3.48 0.33 5.02 1.01 -0.02 -0.80 120.40 130.47 1itw s VAL 541 Ca 0.06 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.05 1itw s VAL 541 Cb -0.14 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1itw s VAL 541 CO 0.04 -0.02 0.24 0.42 0.00 0.00 0.00 175.10 175.78 1itw s THR 542 N 1.38 0.10 0.85 3.92 -4.23 -0.75 -1.27 115.64 115.65 1itw s THR 542 Ca -0.01 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.36 1itw s THR 542 Cb -0.18 -2.48 0.20 0.00 1.34 0.00 0.00 72.50 71.38 1itw s THR 542 CO 0.00 0.00 1.00 0.61 -0.54 0.00 0.00 174.62 175.69 1itw n GLY 543 N -0.63 -1.89 0.13 3.99 0.00 -1.26 -1.30 105.19 104.23 1itw n GLY 543 Ca 0.05 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 1itw n GLY 543 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1itw h ASN 544 N -1.75 -0.25 -0.27 1.61 -0.73 -1.63 -1.25 115.58 111.31 1itw h ASN 544 Ca -0.34 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 57.85 1itw h ASN 544 Cb 0.97 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.66 1itw h ASN 544 CO 0.23 -0.12 0.07 0.58 -0.37 0.00 0.00 177.43 177.82 1itw h VAL 545 N -0.12 1.22 -0.15 2.57 2.07 -1.92 -2.47 116.25 117.45 1itw h VAL 545 Ca 0.05 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1itw h VAL 545 Cb 0.19 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1itw h VAL 545 CO -0.12 0.23 -0.08 -0.07 0.02 0.00 0.00 177.57 177.55 1itw h LEU 546 N 0.27 0.22 -0.14 2.57 3.38 -1.92 -0.33 115.31 119.35 1itw h LEU 546 Ca 0.09 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1itw h LEU 546 Cb 0.29 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1itw h LEU 546 CO 0.00 0.33 0.04 -0.09 0.09 0.00 0.00 178.44 178.81 1itw h ARG 547 N 0.23 0.11 0.29 1.13 2.43 -0.96 0.37 114.38 117.97 1itw h ARG 547 Ca 0.05 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1itw h ARG 547 Cb 0.29 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1itw h ARG 547 CO 0.01 0.07 -0.26 0.22 -1.51 0.00 0.00 179.97 178.50 1itw h ASP 548 N 0.11 -0.70 0.23 -3.80 -0.00 -0.86 -1.58 116.42 109.82 1itw h ASP 548 Ca 0.06 0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 57.14 1itw h ASP 548 Cb 0.04 0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.60 1itw h ASP 548 CO -0.07 -0.39 -0.11 1.88 -0.00 0.00 0.00 179.24 180.56 1itw h TYR 549 N -0.58 -0.29 0.00 0.28 0.99 -0.83 -3.20 116.97 113.36 1itw h TYR 549 Ca -0.01 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.65 1itw h TYR 549 Cb 0.52 0.09 -0.01 0.00 1.00 0.00 0.00 36.73 38.34 1itw h TYR 549 CO -0.16 -0.14 -0.30 -0.07 -0.00 0.00 0.00 178.16 177.49 1itw h LEU 550 N -0.35 0.00 0.00 3.88 3.38 -0.28 -1.60 115.31 120.33 1itw h LEU 550 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1itw h LEU 550 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1itw h LEU 550 CO 0.05 0.30 0.00 0.35 0.09 0.00 0.00 178.44 179.23 1itw n THR 551 N -3.82 0.00 -0.03 0.22 -2.24 -0.60 -2.78 114.28 105.03 1itw n THR 551 Ca -0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 1itw n THR 551 Cb 0.39 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1itw n THR 551 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1itw n ASP 552 N -0.97 2.84 0.23 3.42 2.03 -1.06 -4.55 116.55 118.48 1itw n ASP 552 Ca 0.21 -0.01 -0.14 0.00 0.52 0.00 0.00 54.79 55.38 1itw n ASP 552 Cb 0.10 -0.11 -0.08 0.00 -0.72 0.00 0.00 41.12 40.31 1itw n ASP 552 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1itw h LEU 553 N -0.05 -1.06 -0.60 -2.67 5.85 -1.29 -2.23 115.31 113.26 1itw h LEU 553 Ca -0.14 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1itw h LEU 553 Cb 1.19 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 1itw h LEU 553 CO -0.04 -0.52 0.15 -0.26 -0.34 0.00 0.00 178.44 177.44 1itw h PHE 554 N -0.78 1.00 -0.44 1.25 -1.00 -1.80 -2.47 116.94 112.69 1itw h PHE 554 Ca -0.05 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.60 1itw h PHE 554 Cb 0.68 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1itw h PHE 554 CO -0.20 0.84 0.20 -1.35 -1.61 0.00 0.00 178.31 176.19 1itw h PRO 555 N 0.87 0.61 -0.58 1.51 0.11 -1.78 0.26 132.00 132.99 1itw h PRO 555 Ca 0.19 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 1itw h PRO 555 Cb 0.34 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1itw h PRO 555 CO 0.00 0.49 0.06 0.82 -0.21 0.00 0.00 178.00 179.16 1itw h ILE 556 N 0.62 1.26 -0.17 4.15 1.08 -1.14 0.72 117.51 124.03 1itw h ILE 556 Ca 0.16 -1.04 -0.10 0.00 -0.39 0.00 0.00 64.86 63.49 1itw h ILE 556 Cb 0.08 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1itw h ILE 556 CO -0.02 0.38 -0.28 0.24 -0.69 0.00 0.00 178.15 177.78 1itw h MET 557 N 0.88 0.49 -0.06 2.37 2.86 -0.94 0.16 114.93 120.69 1itw h MET 557 Ca 0.17 -0.30 -0.21 0.00 -2.06 0.00 0.00 59.70 57.31 1itw h MET 557 Cb 0.46 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.17 1itw h MET 557 CO 0.02 0.90 -0.76 0.93 1.06 0.00 0.00 176.91 179.05 1itw h GLU 558 N 0.13 0.63 -0.00 1.72 5.08 -0.43 -3.39 114.58 118.32 1itw h GLU 558 Ca 0.01 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1itw h GLU 558 Cb 0.86 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1itw h GLU 558 CO 0.06 1.20 -0.15 1.28 -1.00 0.00 0.00 179.01 180.41 1itw n LEU 559 N -4.04 0.33 0.00 1.33 4.77 0.25 -4.76 117.00 114.89 1itw n LEU 559 Ca -0.09 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1itw n LEU 559 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1itw n LEU 559 CO 0.51 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1itw n GLY 560 N 0.96 0.56 3.52 -0.72 0.00 0.57 -4.86 105.19 105.21 1itw n GLY 560 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1itw n GLY 560 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1itw s THR 561 N -2.43 0.00 -0.17 2.61 -1.32 -1.22 -4.90 115.64 108.21 1itw s THR 561 Ca 0.00 -0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.62 1itw s THR 561 Cb 0.00 -0.97 0.36 0.00 -1.51 0.00 0.00 72.50 70.39 1itw s THR 561 CO 0.00 -0.02 1.25 -1.54 -2.21 0.00 0.00 174.62 172.10 1itw n SER 562 N 1.33 2.92 -0.99 8.08 3.41 -1.26 -3.97 113.62 123.14 1itw n SER 562 Ca -0.18 -2.97 0.12 0.00 -0.26 0.00 0.00 58.87 55.58 1itw n SER 562 Cb 0.57 -0.44 0.12 0.00 -0.26 0.00 0.00 64.21 64.19 1itw n SER 562 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itw n ALA 563 N -0.97 2.45 -3.82 7.33 0.00 -1.26 -4.60 120.51 119.64 1itw n ALA 563 Ca 0.17 -0.75 -0.30 0.00 0.00 0.00 0.00 53.44 52.56 1itw n ALA 563 Cb 0.71 -0.81 -0.13 0.00 0.00 0.00 0.00 19.45 19.21 1itw n ALA 563 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1itw s LYS 564 N -1.87 1.59 -0.03 0.00 1.02 -1.26 -4.61 119.74 114.58 1itw s LYS 564 Ca 0.30 -2.27 -0.30 0.00 0.02 0.00 0.00 55.97 53.71 1itw s LYS 564 Cb 0.20 -2.77 0.12 0.00 -0.52 0.00 0.00 37.83 34.86 1itw s LYS 564 CO 0.30 -1.14 1.31 0.00 -0.92 0.00 0.00 175.35 174.91 1itw s MET 565 N 0.08 0.33 0.17 1.68 0.23 -1.26 -4.61 119.30 115.92 1itw s MET 565 Ca 0.17 -0.19 -0.27 0.00 -1.03 0.00 0.00 55.69 54.38 1itw s MET 565 Cb -0.25 0.11 -0.08 0.00 -1.53 0.00 0.00 34.83 33.08 1itw s MET 565 CO 0.00 -0.15 0.83 -0.51 -2.03 0.00 0.00 175.02 173.16 1itw s LEU 566 N -3.13 4.60 -0.43 0.18 1.43 -0.14 -4.78 118.68 116.41 1itw s LEU 566 Ca 0.17 1.72 0.07 0.00 -1.03 0.00 0.00 54.13 55.06 1itw s LEU 566 Cb 0.04 -3.38 0.24 0.00 0.03 0.00 0.00 46.19 43.12 1itw s LEU 566 CO -0.04 0.17 0.52 -0.24 0.23 0.00 0.00 176.35 177.00 1itw n SER 567 N 1.69 0.53 -4.73 2.29 2.88 -1.24 -2.03 113.62 113.01 1itw n SER 567 Ca -0.04 -2.74 -0.41 0.00 -1.33 0.00 0.00 58.87 54.35 1itw n SER 567 Cb 0.48 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 63.27 1itw n SER 567 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1itw s ILE 568 N -1.16 4.75 -0.39 2.46 1.01 -0.81 -1.29 121.20 125.78 1itw s ILE 568 Ca 0.35 1.81 0.02 0.00 0.00 0.00 0.00 60.65 62.83 1itw s ILE 568 Cb 0.15 -4.20 0.11 0.00 0.01 0.00 0.00 42.46 38.53 1itw s ILE 568 CO -0.11 0.29 0.14 -0.69 0.00 0.00 0.00 174.94 174.57 1itw s VAL 569 N 0.33 1.79 -0.65 2.92 1.01 0.10 -0.77 120.40 125.13 1itw s VAL 569 Ca 0.43 -2.34 -0.26 0.00 0.00 0.00 0.00 61.98 59.82 1itw s VAL 569 Cb -0.21 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1itw s VAL 569 CO 0.25 -0.72 1.88 -2.84 0.00 0.00 0.00 175.10 173.66 1itw s PRO 570 N 0.74 2.61 0.31 2.72 0.02 -1.24 -1.65 135.00 138.51 1itw s PRO 570 Ca 0.13 0.49 -0.29 0.00 0.02 0.00 0.00 61.00 61.35 1itw s PRO 570 Cb -0.21 -4.48 -0.12 0.00 0.02 0.00 0.00 34.50 29.70 1itw s PRO 570 CO -0.09 -2.83 1.37 1.28 -0.33 0.00 0.00 177.00 176.40 1itw n LEU 571 N 12.94 3.56 0.28 -5.54 4.77 -0.80 -4.08 117.00 128.13 1itw n LEU 571 Ca 0.23 1.18 0.12 0.00 -0.03 0.00 0.00 56.01 57.51 1itw n LEU 571 Cb 0.51 -1.49 0.79 0.00 -2.33 0.00 0.00 43.42 40.91 1itw n LEU 571 CO 0.69 -0.39 1.08 0.24 -1.33 0.00 0.00 177.39 177.69 1itw h MET 572 N 3.34 0.00 0.00 3.23 2.86 -1.73 -0.51 114.93 122.12 1itw h MET 572 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1itw h MET 572 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1itw h MET 572 CO 0.69 0.02 0.00 0.43 1.06 0.00 0.00 176.91 179.11 1itw n SER 573 N -4.07 0.00 0.00 1.22 7.64 -1.26 -4.88 113.62 112.27 1itw n SER 573 Ca -0.03 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.37 1itw n SER 573 Cb 0.11 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1itw n SER 573 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1itw n GLY 574 N 0.98 2.75 0.00 0.23 0.00 -0.20 -3.41 105.19 105.53 1itw n GLY 574 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1itw n GLY 574 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itw n GLY 575 N -1.08 -1.54 2.98 -0.02 0.00 -1.13 -4.81 105.19 99.60 1itw n GLY 575 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 1itw n GLY 575 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1itw s GLY 576 N -2.37 -0.08 -0.12 -0.02 0.00 0.19 -1.90 107.32 103.01 1itw s GLY 576 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 44.72 45.21 1itw s GLY 576 CO 0.00 0.53 -0.21 -2.27 0.00 0.00 0.00 173.10 171.14 1itw s LEU 577 N 0.41 2.04 -0.27 0.66 2.96 -0.66 -0.13 118.68 123.70 1itw s LEU 577 Ca -0.03 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1itw s LEU 577 Cb -0.04 -1.37 0.07 0.00 0.50 0.00 0.00 46.19 45.35 1itw s LEU 577 CO -0.02 0.09 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.72 1itw s PHE 578 N 0.69 2.85 -0.18 5.38 0.40 0.14 0.03 117.98 127.29 1itw s PHE 578 Ca -0.11 -2.17 -0.26 0.00 -0.60 0.00 0.00 56.93 53.79 1itw s PHE 578 Cb -0.16 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 1itw s PHE 578 CO 0.02 -0.85 0.88 -1.21 0.70 0.00 0.00 175.22 174.75 1itw s GLU 579 N 1.24 4.29 0.45 0.44 2.02 -0.41 -1.06 118.70 125.66 1itw s GLU 579 Ca -0.02 1.09 0.24 0.00 0.02 0.00 0.00 54.97 56.30 1itw s GLU 579 Cb -0.19 -3.59 0.99 0.00 0.10 0.00 0.00 34.13 31.44 1itw s GLU 579 CO -0.08 -0.39 1.86 1.79 0.02 0.00 0.00 175.26 178.46 1itw h THR 580 N 5.25 0.58 -2.10 3.63 1.35 -1.18 -3.29 112.91 117.15 1itw h THR 580 Ca -0.27 -1.06 0.01 0.00 -0.55 0.00 0.00 66.41 64.55 1itw h THR 580 Cb 1.12 1.71 -0.18 0.00 -1.73 0.00 0.00 68.15 69.06 1itw h THR 580 CO 0.86 0.22 0.34 -0.83 -0.25 0.00 0.00 175.52 175.86 1itw s GLY 581 N -4.28 -0.48 0.00 5.82 0.00 -1.26 -4.32 107.32 102.80 1itw s GLY 581 Ca -0.00 1.32 0.24 0.00 0.00 0.00 0.00 44.72 46.27 1itw s GLY 581 CO 0.63 0.73 1.24 0.00 0.00 0.00 0.00 173.10 175.70 1itw n ALA 582 N 0.44 2.85 -1.62 3.20 0.00 -1.26 -4.52 120.51 119.59 1itw n ALA 582 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1itw n ALA 582 Cb 0.59 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1itw n ALA 582 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itw n GLY 583 N 1.36 0.90 1.99 0.00 0.00 -1.26 -5.12 105.19 103.06 1itw n GLY 583 Ca 0.13 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 1itw n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itw n GLY 584 N 5.00 0.21 1.00 -0.02 0.00 -1.26 -4.66 105.19 105.46 1itw n GLY 584 Ca 0.00 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 44.16 1itw n GLY 584 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1itw n SER 585 N -3.07 2.89 -3.44 1.61 3.41 -1.26 -4.83 113.62 108.92 1itw n SER 585 Ca 0.08 -2.20 -0.14 0.00 -0.26 0.00 0.00 58.87 56.36 1itw n SER 585 Cb 0.30 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1itw n SER 585 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itw n ALA 586 N 0.64 -2.67 -0.33 7.33 0.00 -1.26 -1.68 120.51 122.54 1itw n ALA 586 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1itw n ALA 586 Cb 0.53 -1.16 0.18 0.00 0.00 0.00 0.00 19.45 19.00 1itw n ALA 586 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1itw h PRO 587 N 0.16 0.96 0.00 0.00 0.11 -1.98 -1.50 132.00 129.74 1itw h PRO 587 Ca -0.34 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 1itw h PRO 587 Cb 1.22 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1itw h PRO 587 CO 0.33 0.64 -0.09 0.87 -0.21 0.00 0.00 178.00 179.53 1itw h LYS 588 N 0.99 0.00 -0.28 1.05 1.57 -2.00 -1.64 116.57 116.26 1itw h LYS 588 Ca 0.42 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.09 1itw h LYS 588 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1itw h LYS 588 CO -0.21 0.09 -0.25 0.45 -0.57 0.00 0.00 179.45 178.96 1itw h HIS 589 N 0.00 0.80 -0.66 -1.35 3.86 -1.62 -2.33 115.15 113.85 1itw h HIS 589 Ca -0.00 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 58.94 1itw h HIS 589 Cb 0.20 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1itw h HIS 589 CO 0.00 0.96 0.27 0.28 0.86 0.00 0.00 177.93 180.30 1itw h VAL 590 N 0.41 1.23 -0.15 2.45 2.07 -1.29 -1.90 116.25 119.07 1itw h VAL 590 Ca 0.05 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1itw h VAL 590 Cb 0.81 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1itw h VAL 590 CO 0.06 0.28 0.03 -0.61 0.02 0.00 0.00 177.57 177.36 1itw h GLN 591 N 0.95 0.09 -0.17 1.57 4.15 -1.11 -0.84 115.11 119.76 1itw h GLN 591 Ca 0.22 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 1itw h GLN 591 Cb 0.17 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1itw h GLN 591 CO -0.02 0.06 -0.05 0.37 -1.93 0.00 0.00 178.83 177.26 1itw h GLN 592 N 0.10 0.25 -0.36 1.69 4.15 -1.04 -1.37 115.11 118.53 1itw h GLN 592 Ca 0.07 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 1itw h GLN 592 Cb 0.06 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1itw h GLN 592 CO -0.09 0.32 -0.38 0.35 -1.93 0.00 0.00 178.83 177.10 1itw h PHE 593 N 0.25 1.08 0.00 3.99 3.57 -0.64 -0.57 116.94 124.61 1itw h PHE 593 Ca 0.06 -0.33 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 1itw h PHE 593 Cb 0.25 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1itw h PHE 593 CO 0.00 1.15 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.81 1itw h LEU 594 N 0.70 0.00 0.09 0.59 3.38 -0.89 0.74 115.31 119.92 1itw h LEU 594 Ca 0.05 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 1itw h LEU 594 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1itw h LEU 594 CO 0.09 0.36 -1.25 -0.33 0.09 0.00 0.00 178.44 177.40 1itw h GLU 595 N 0.00 0.20 0.00 1.13 5.08 -1.19 0.51 114.58 120.30 1itw h GLU 595 Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1itw h GLU 595 Cb 1.16 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1itw h GLU 595 CO 0.05 1.16 -0.29 -0.85 -1.00 0.00 0.00 179.01 178.08 1itw n GLU 596 N -4.04 0.54 -3.33 2.33 0.28 -0.23 -3.39 120.64 112.81 1itw n GLU 596 Ca -0.24 -1.58 -0.24 0.00 -0.16 0.00 0.00 57.16 54.94 1itw n GLU 596 Cb 0.84 -0.88 0.04 0.00 1.43 0.00 0.00 31.44 32.86 1itw n GLU 596 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1itw n GLY 597 N -0.55 -0.52 3.03 -1.84 0.00 0.25 0.58 105.19 106.15 1itw n GLY 597 Ca 0.06 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1itw n GLY 597 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1itw s TYR 598 N -3.19 1.80 -0.33 1.61 5.04 -1.22 -4.07 117.35 116.98 1itw s TYR 598 Ca 0.43 -0.81 -0.02 0.00 -2.44 0.00 0.00 57.07 54.23 1itw s TYR 598 Cb -0.20 -1.32 0.07 0.00 0.35 0.00 0.00 41.96 40.85 1itw s TYR 598 CO 0.53 -0.44 0.05 -1.17 -1.34 0.00 0.00 175.55 173.19 1itw s LEU 599 N 1.00 4.26 0.00 6.97 2.96 -1.26 -2.35 118.68 130.26 1itw s LEU 599 Ca -0.07 -1.49 0.11 0.00 -0.22 0.00 0.00 54.13 52.46 1itw s LEU 599 Cb -0.15 -1.74 0.37 0.00 0.50 0.00 0.00 46.19 45.17 1itw s LEU 599 CO -0.01 -0.33 1.28 -2.11 -1.32 0.00 0.00 176.35 173.86 1itw n ARG 600 N 4.60 1.60 -1.80 1.98 1.85 -1.26 0.05 116.66 123.68 1itw n ARG 600 Ca -0.10 -0.92 -0.42 0.00 -1.00 0.00 0.00 57.85 55.41 1itw n ARG 600 Cb 0.43 -1.24 -0.02 0.00 -1.05 0.00 0.00 32.46 30.58 1itw n ARG 600 CO 0.00 0.00 0.00 -0.46 -0.01 0.00 0.00 177.63 177.16 1itw s TRP 601 N -1.69 2.79 -0.35 2.89 -0.11 -1.26 -4.82 118.94 116.39 1itw s TRP 601 Ca 0.21 0.76 -0.16 0.00 1.22 0.00 0.00 56.10 58.13 1itw s TRP 601 Cb 0.11 -4.05 -0.01 0.00 -1.50 0.00 0.00 33.47 28.02 1itw s TRP 601 CO 0.15 -3.57 0.39 0.34 -4.62 0.00 0.00 176.95 169.64 1itw s ASP 602 N 0.55 6.20 -0.04 5.86 -1.08 -1.26 -4.39 116.67 122.51 1itw s ASP 602 Ca 0.64 -0.27 0.08 0.00 -0.52 0.00 0.00 52.55 52.48 1itw s ASP 602 Cb -0.47 -2.21 0.30 0.00 -1.46 0.00 0.00 42.92 39.08 1itw s ASP 602 CO 0.46 -0.39 1.14 -1.20 0.52 0.00 0.00 175.17 175.71 1itw n SER 603 N 5.45 2.20 -0.25 -0.34 7.64 -1.26 -4.36 113.62 122.70 1itw n SER 603 Ca -0.08 -2.16 0.03 0.00 1.01 0.00 0.00 58.87 57.67 1itw n SER 603 Cb 0.49 -0.36 0.16 0.00 -1.01 0.00 0.00 64.21 63.49 1itw n SER 603 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1itw h LEU 604 N 1.75 0.37 -1.43 -3.43 5.85 -1.92 -0.06 115.31 116.44 1itw h LEU 604 Ca 0.00 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1itw h LEU 604 Cb 0.71 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1itw h LEU 604 CO 0.09 0.18 0.45 1.23 -0.34 0.00 0.00 178.44 180.05 1itw h GLY 605 N 0.52 0.87 1.10 3.75 0.00 -1.76 -0.93 103.07 106.63 1itw h GLY 605 Ca 0.38 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 1itw h GLY 605 CO -0.33 0.21 -0.35 0.83 0.00 0.00 0.00 176.54 176.90 1itw h GLU 606 N 0.69 0.91 -0.43 4.80 5.08 -1.22 -1.57 114.58 122.84 1itw h GLU 606 Ca 0.29 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1itw h GLU 606 Cb 0.27 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1itw h GLU 606 CO -0.09 1.12 0.23 0.74 -1.00 0.00 0.00 179.01 180.00 1itw h PHE 607 N 0.73 0.60 -0.31 4.33 0.04 -0.57 -0.53 116.94 121.23 1itw h PHE 607 Ca 0.07 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1itw h PHE 607 Cb 0.94 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 1itw h PHE 607 CO 0.06 0.47 0.15 -0.07 -0.60 0.00 0.00 178.31 178.33 1itw h LEU 608 N 0.56 0.40 -0.65 1.54 3.38 -1.14 -2.27 115.31 117.13 1itw h LEU 608 Ca 0.15 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1itw h LEU 608 Cb 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1itw h LEU 608 CO -0.02 0.41 0.30 0.00 0.09 0.00 0.00 178.44 179.22 1itw h ALA 609 N 1.01 0.83 -0.61 1.53 0.00 -1.13 -2.29 119.26 118.61 1itw h ALA 609 Ca 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1itw h ALA 609 Cb 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1itw h ALA 609 CO -0.01 0.41 0.40 1.25 0.00 0.00 0.00 179.25 181.29 1itw h LEU 610 N 0.89 0.67 -0.23 0.00 5.85 -0.93 0.19 115.31 121.76 1itw h LEU 610 Ca 0.22 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1itw h LEU 610 Cb 0.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1itw h LEU 610 CO -0.03 0.48 0.12 0.00 -0.34 0.00 0.00 178.44 178.67 1itw h ALA 611 N 1.24 0.28 -0.88 1.25 0.00 -1.16 0.19 119.26 120.17 1itw h ALA 611 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1itw h ALA 611 Cb -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1itw h ALA 611 CO -0.07 -0.29 0.51 0.00 0.00 0.00 0.00 179.25 179.40 1itw h ALA 612 N 1.11 1.12 -0.33 0.00 0.00 -0.92 -1.09 119.26 119.15 1itw h ALA 612 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1itw h ALA 612 Cb 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1itw h ALA 612 CO -0.06 0.60 0.14 1.03 0.00 0.00 0.00 179.25 180.97 1itw h SER 613 N 1.22 0.44 -0.61 0.00 0.87 0.01 -0.93 113.55 114.54 1itw h SER 613 Ca 0.31 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1itw h SER 613 Cb -0.01 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1itw h SER 613 CO -0.05 0.47 0.27 -0.07 -0.53 0.00 0.00 176.83 176.92 1itw h LEU 614 N 0.39 0.82 -0.72 2.23 3.38 -0.29 -1.05 115.31 120.07 1itw h LEU 614 Ca 0.11 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1itw h LEU 614 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1itw h LEU 614 CO -0.01 0.74 -0.13 -0.08 0.09 0.00 0.00 178.44 179.05 1itw h GLU 615 N 0.84 0.84 -0.43 1.13 4.81 -1.08 0.62 114.58 121.31 1itw h GLU 615 Ca 0.21 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1itw h GLU 615 Cb 0.15 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1itw h GLU 615 CO -0.02 0.93 -0.04 1.25 -0.73 0.00 0.00 179.01 180.40 1itw h HIS 616 N 0.75 0.78 -0.21 0.92 2.76 -0.87 -1.21 115.15 118.07 1itw h HIS 616 Ca 0.12 -0.11 -0.17 0.00 -2.20 0.00 0.00 60.37 58.01 1itw h HIS 616 Cb 0.64 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1itw h HIS 616 CO 0.04 0.75 -0.53 1.25 -1.30 0.00 0.00 177.93 178.14 1itw h LEU 617 N 0.68 0.82 -0.21 0.26 6.46 -0.88 -1.92 115.31 120.52 1itw h LEU 617 Ca 0.13 -0.57 -0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1itw h LEU 617 Cb 0.47 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1itw h LEU 617 CO 0.02 1.24 0.12 1.23 -0.62 0.00 0.00 178.44 180.44 1itw h GLY 618 N 0.44 0.31 2.00 3.75 0.00 -0.60 -1.52 103.07 107.44 1itw h GLY 618 Ca -0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1itw h GLY 618 CO 0.11 0.12 -0.33 3.43 0.00 0.00 0.00 176.54 179.88 1itw h ASN 619 N 0.25 0.00 0.24 0.19 2.35 -1.28 0.43 115.58 117.77 1itw h ASN 619 Ca 0.07 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.57 1itw h ASN 619 Cb 0.03 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.41 1itw h ASN 619 CO -0.01 0.33 -1.04 0.00 -1.65 0.00 0.00 177.43 175.05 1itw h ALA 620 N 1.67 0.22 -0.12 -0.83 0.00 -1.04 -3.34 119.26 115.83 1itw h ALA 620 Ca -0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1itw h ALA 620 Cb 0.88 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1itw h ALA 620 CO 0.04 0.78 -0.00 0.66 0.00 0.00 0.00 179.25 180.73 1itw n TYR 621 N -3.76 0.45 -4.04 0.00 4.02 -0.60 -4.98 117.16 108.25 1itw n TYR 621 Ca -0.09 -0.94 -0.29 0.00 -0.01 0.00 0.00 57.90 56.56 1itw n TYR 621 Cb 0.89 -0.23 -0.02 0.00 -0.02 0.00 0.00 39.34 39.96 1itw n TYR 621 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1itw n LYS 622 N -1.00 -3.41 -3.22 -0.72 5.02 -0.27 -4.90 118.16 109.66 1itw n LYS 622 Ca 0.19 0.41 -0.45 0.00 -2.02 0.00 0.00 58.31 56.43 1itw n LYS 622 Cb 0.76 -4.79 -0.05 0.00 -0.02 0.00 0.00 35.03 30.93 1itw n LYS 622 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1itw s ASN 623 N -3.93 6.19 0.23 4.39 3.84 -0.02 -4.95 114.94 120.69 1itw s ASN 623 Ca 0.30 -1.45 -0.07 0.00 0.21 0.00 0.00 52.86 51.85 1itw s ASN 623 Cb -0.16 -2.26 0.30 0.00 -0.55 0.00 0.00 41.25 38.58 1itw s ASN 623 CO 0.90 -0.94 1.83 -0.65 -2.79 0.00 0.00 177.10 175.45 1itw h PRO 624 N 9.01 0.81 -0.56 0.43 0.11 -1.91 -2.78 132.00 137.11 1itw h PRO 624 Ca -0.29 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.77 1itw h PRO 624 Cb 1.10 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 1itw h PRO 624 CO 1.03 0.53 0.37 0.87 -0.21 0.00 0.00 178.00 180.59 1itw h LYS 625 N 0.83 0.73 -0.63 1.05 1.57 -1.92 -2.10 116.57 116.11 1itw h LYS 625 Ca 0.34 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 1itw h LYS 625 Cb 0.20 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1itw h LYS 625 CO -0.18 0.49 0.42 0.00 -0.57 0.00 0.00 179.45 179.60 1itw h ALA 626 N 1.20 1.72 -0.18 3.86 0.00 -1.77 0.30 119.26 124.39 1itw h ALA 626 Ca 0.20 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1itw h ALA 626 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1itw h ALA 626 CO -0.04 0.20 -0.50 -0.07 0.00 0.00 0.00 179.25 178.83 1itw h LEU 627 N 0.69 0.53 -0.38 0.00 3.38 -1.26 -1.58 115.31 116.69 1itw h LEU 627 Ca 0.26 -0.27 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1itw h LEU 627 Cb 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1itw h LEU 627 CO -0.08 0.94 -0.51 0.58 0.09 0.00 0.00 178.44 179.47 1itw h VAL 628 N 0.38 1.28 -0.86 1.22 2.07 -0.64 -1.52 116.25 118.19 1itw h VAL 628 Ca 0.02 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1itw h VAL 628 Cb 1.02 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 1itw h VAL 628 CO 0.09 0.55 0.51 -0.07 0.02 0.00 0.00 177.57 178.68 1itw h LEU 629 N 0.63 1.04 -0.44 2.57 3.38 -0.83 -1.29 115.31 120.37 1itw h LEU 629 Ca 0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1itw h LEU 629 Cb 1.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1itw h LEU 629 CO 0.11 0.81 -0.01 0.00 0.09 0.00 0.00 178.44 179.44 1itw h ALA 630 N 1.28 0.59 0.41 1.53 0.00 -1.10 -1.55 119.26 120.42 1itw h ALA 630 Ca 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1itw h ALA 630 Cb -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1itw h ALA 630 CO -0.06 0.40 -0.20 0.77 0.00 0.00 0.00 179.25 180.16 1itw h SER 631 N 0.62 -0.46 0.08 0.00 0.02 -0.92 -1.46 113.55 111.43 1itw h SER 631 Ca 0.12 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1itw h SER 631 Cb 0.51 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1itw h SER 631 CO 0.02 -0.25 -0.08 0.71 -1.14 0.00 0.00 176.83 176.10 1itw h THR 632 N -0.65 1.04 -0.34 -2.27 1.35 -1.28 -2.02 112.91 108.74 1itw h THR 632 Ca -0.06 -0.27 -0.17 0.00 -0.55 0.00 0.00 66.41 65.37 1itw h THR 632 Cb 0.48 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1itw h THR 632 CO 0.09 0.08 -0.43 0.25 -0.25 0.00 0.00 175.52 175.26 1itw h LEU 633 N 0.00 0.97 -0.59 3.87 5.85 -1.02 -0.92 115.31 123.48 1itw h LEU 633 Ca -0.00 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.25 1itw h LEU 633 Cb 0.14 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1itw h LEU 633 CO 0.01 1.27 0.36 0.44 -0.34 0.00 0.00 178.44 180.18 1itw h ASP 634 N 0.70 0.60 -0.38 1.25 3.32 -0.57 -0.07 116.42 121.27 1itw h ASP 634 Ca 0.04 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1itw h ASP 634 Cb 1.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1itw h ASP 634 CO 0.10 0.42 0.23 -0.61 -1.72 0.00 0.00 179.24 177.67 1itw h GLN 635 N 0.72 0.51 -0.91 3.56 4.15 -1.23 0.12 115.11 122.04 1itw h GLN 635 Ca 0.23 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 1itw h GLN 635 Cb 0.00 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 1itw h GLN 635 CO -0.09 0.37 0.50 0.00 -1.93 0.00 0.00 178.83 177.68 1itw h ALA 636 N 1.11 1.16 -0.69 3.38 0.00 -0.70 -1.19 119.26 122.34 1itw h ALA 636 Ca 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1itw h ALA 636 Cb -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1itw h ALA 636 CO -0.03 0.67 0.15 1.15 0.00 0.00 0.00 179.25 181.19 1itw h THR 637 N 1.27 1.26 -0.87 0.00 2.02 -0.58 -1.38 112.91 114.63 1itw h THR 637 Ca 0.32 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1itw h THR 637 Cb 0.03 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1itw h THR 637 CO -0.05 0.38 0.52 1.23 0.37 0.00 0.00 175.52 177.96 1itw h GLY 638 N 1.05 1.27 1.48 2.16 0.00 -0.25 -2.28 103.07 106.49 1itw h GLY 638 Ca 0.21 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1itw h GLY 638 CO 0.01 0.51 -0.24 0.50 0.00 0.00 0.00 176.54 177.33 1itw h LYS 639 N 1.20 0.60 -0.96 4.80 1.57 -0.71 0.14 116.57 123.22 1itw h LYS 639 Ca 0.31 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1itw h LYS 639 Cb -0.04 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 1itw h LYS 639 CO -0.06 0.79 0.62 0.82 -0.57 0.00 0.00 179.45 181.06 1itw h ILE 640 N 0.53 1.16 0.06 1.86 1.08 -0.71 0.46 117.51 121.95 1itw h ILE 640 Ca 0.08 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1itw h ILE 640 Cb 0.69 -0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1itw h ILE 640 CO 0.05 0.22 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.63 1itw h LEU 641 N 1.20 -0.07 0.05 1.44 3.38 -1.07 0.39 115.31 120.63 1itw h LEU 641 Ca 0.38 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1itw h LEU 641 Cb 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1itw h LEU 641 CO -0.13 0.47 -0.11 0.44 0.09 0.00 0.00 178.44 179.20 1itw h ASP 642 N -0.63 -0.30 -0.13 -0.43 3.32 -0.35 -2.39 116.42 115.50 1itw h ASP 642 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1itw h ASP 642 Cb 0.54 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1itw h ASP 642 CO 0.01 -0.16 0.00 0.59 -1.72 0.00 0.00 179.24 177.96 1itw n ASN 643 N -5.23 0.88 -3.58 6.45 3.02 0.16 -4.94 115.26 112.02 1itw n ASN 643 Ca -0.06 -1.81 -0.24 0.00 -0.03 0.00 0.00 54.58 52.44 1itw n ASN 643 Cb 0.15 -0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.26 1itw n ASN 643 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1itw n ASN 644 N -0.10 -5.74 -1.25 6.41 5.15 -0.74 -4.92 115.26 114.07 1itw n ASN 644 Ca 0.10 -0.82 0.08 0.00 -0.60 0.00 0.00 54.58 53.34 1itw n ASN 644 Cb 0.17 -3.39 0.30 0.00 -0.53 0.00 0.00 39.78 36.33 1itw n ASN 644 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1itw n LYS 645 N -3.36 3.55 -1.94 1.20 4.76 0.13 -5.00 118.16 117.50 1itw n LYS 645 Ca -0.12 -2.80 -0.31 0.00 -2.87 0.00 0.00 58.31 52.21 1itw n LYS 645 Cb 0.59 -1.85 0.01 0.00 -1.84 0.00 0.00 35.03 31.94 1itw n LYS 645 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1itw s SER 646 N -1.28 6.22 0.82 4.39 0.01 -1.26 -4.15 113.70 118.45 1itw s SER 646 Ca 0.44 1.37 -0.15 0.00 1.31 0.00 0.00 55.95 58.93 1itw s SER 646 Cb 0.32 -2.44 0.01 0.00 0.21 0.00 0.00 66.02 64.12 1itw s SER 646 CO 0.16 -0.85 0.59 -2.65 0.41 0.00 0.00 173.24 170.89 1itw n PRO 647 N -2.71 0.08 0.00 12.44 -0.02 -1.26 -4.91 135.00 138.61 1itw n PRO 647 Ca 0.06 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1itw n PRO 647 Cb 0.54 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1itw n PRO 647 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1itw n ALA 648 N -2.95 0.00 0.01 3.55 0.00 -0.95 -5.00 120.51 115.16 1itw n ALA 648 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1itw n ALA 648 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1itw n ALA 648 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1itw n ARG 649 N 0.00 0.00 -3.98 0.00 5.12 -1.26 -4.79 116.66 111.76 1itw n ARG 649 Ca 0.00 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.65 1itw n ARG 649 Cb 0.00 -0.35 -0.04 0.00 -1.16 0.00 0.00 32.46 30.91 1itw n ARG 649 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1itw s LYS 650 N -2.00 3.29 0.86 5.56 3.01 -1.26 -4.95 119.74 124.25 1itw s LYS 650 Ca 0.00 -0.63 -0.14 0.00 -1.01 0.00 0.00 55.97 54.18 1itw s LYS 650 Cb 0.00 -2.90 0.00 0.00 -1.01 0.00 0.00 37.83 33.93 1itw s LYS 650 CO 0.00 0.53 0.45 0.28 0.51 0.00 0.00 175.35 177.12 1itw n VAL 651 N -0.30 0.77 0.00 3.17 0.31 -1.26 -3.68 118.33 117.34 1itw n VAL 651 Ca -0.07 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1itw n VAL 651 Cb 0.53 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1itw n VAL 651 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1itw n GLY 652 N 1.58 2.82 3.96 2.92 0.00 -1.26 -5.02 105.19 110.19 1itw n GLY 652 Ca 0.08 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1itw n GLY 652 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1itw s GLU 653 N 0.00 0.87 0.27 1.61 -1.05 -1.24 -4.83 118.70 114.33 1itw s GLU 653 Ca 0.00 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 53.74 1itw s GLU 653 Cb 0.00 -2.02 -0.13 0.00 -0.44 0.00 0.00 34.13 31.54 1itw s GLU 653 CO 0.00 -2.15 1.37 -0.89 0.95 0.00 0.00 175.26 174.54 1itw n ILE 654 N -3.46 1.24 -3.82 1.83 5.41 -1.26 -4.93 119.36 114.36 1itw n ILE 654 Ca 0.16 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1itw n ILE 654 Cb 0.60 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 1itw n ILE 654 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1itw n ASP 655 N 1.79 1.84 -0.33 4.38 5.75 -1.26 -2.24 116.55 126.47 1itw n ASP 655 Ca 0.10 -0.82 0.17 0.00 -0.01 0.00 0.00 54.79 54.23 1itw n ASP 655 Cb 0.33 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.79 1itw n ASP 655 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1itw h ASN 656 N 0.00 0.54 -0.38 -1.12 -0.73 -0.59 0.52 115.58 113.82 1itw h ASN 656 Ca 0.00 0.15 -0.10 0.00 1.87 0.00 0.00 56.30 58.23 1itw h ASN 656 Cb 0.00 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 1itw h ASN 656 CO 0.00 0.03 -0.11 0.03 -0.37 0.00 0.00 177.43 177.01 1itw h ARG 657 N 0.48 0.82 -0.56 6.67 3.08 -1.92 -2.67 114.38 120.28 1itw h ARG 657 Ca 0.63 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 60.32 1itw h ARG 657 Cb 1.25 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1itw h ARG 657 CO -0.52 0.89 -0.00 0.78 -1.07 0.00 0.00 179.97 180.05 1itw h GLY 658 N 0.97 1.04 1.26 0.04 0.00 -1.27 -2.59 103.07 102.52 1itw h GLY 658 Ca 0.12 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 1itw h GLY 658 CO 0.04 0.68 0.13 1.48 0.00 0.00 0.00 176.54 178.87 1itw h SER 659 N 0.88 0.86 -0.44 0.19 4.64 -1.23 -2.20 113.55 116.26 1itw h SER 659 Ca 0.16 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1itw h SER 659 Cb 0.52 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1itw h SER 659 CO 0.03 0.85 0.14 0.45 -0.87 0.00 0.00 176.83 177.42 1itw h HIS 660 N 0.88 0.76 -0.03 4.77 -0.00 -1.20 -0.68 115.15 119.65 1itw h HIS 660 Ca 0.19 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1itw h HIS 660 Cb 0.34 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1itw h HIS 660 CO 0.02 0.63 0.01 0.35 -0.00 0.00 0.00 177.93 178.94 1itw h PHE 661 N 0.73 0.04 -0.39 2.45 3.57 -1.03 -1.38 116.94 120.92 1itw h PHE 661 Ca 0.17 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1itw h PHE 661 Cb 0.24 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1itw h PHE 661 CO 0.01 0.23 0.16 1.88 -2.23 0.00 0.00 178.31 178.36 1itw h TYR 662 N -0.16 0.55 -0.62 0.41 -1.99 -1.08 0.42 116.97 114.49 1itw h TYR 662 Ca 0.01 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 1itw h TYR 662 Cb 0.21 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 1itw h TYR 662 CO -0.01 0.43 0.25 1.25 -0.00 0.00 0.00 178.16 180.08 1itw h LEU 663 N 0.55 0.86 -0.17 3.88 5.85 -0.90 0.14 115.31 125.52 1itw h LEU 663 Ca 0.14 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1itw h LEU 663 Cb 0.11 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1itw h LEU 663 CO -0.01 0.80 0.05 0.00 -0.34 0.00 0.00 178.44 178.93 1itw h ALA 664 N 1.10 0.22 0.57 1.25 0.00 -0.04 0.57 119.26 122.92 1itw h ALA 664 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1itw h ALA 664 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1itw h ALA 664 CO -0.02 -0.15 -0.45 1.25 0.00 0.00 0.00 179.25 179.88 1itw h LEU 665 N 0.09 -1.18 -1.09 0.00 5.85 0.11 0.10 115.31 119.20 1itw h LEU 665 Ca 0.05 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1itw h LEU 665 Cb 0.23 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1itw h LEU 665 CO -0.00 -0.63 0.61 1.88 -0.34 0.00 0.00 178.44 179.96 1itw h TYR 666 N -0.98 1.12 -0.28 1.25 0.99 -0.75 -0.14 116.97 118.18 1itw h TYR 666 Ca -0.07 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.61 1itw h TYR 666 Cb 0.82 -0.37 -0.01 0.00 1.00 0.00 0.00 36.73 38.17 1itw h TYR 666 CO -0.16 0.61 -0.12 2.35 -0.00 0.00 0.00 178.16 180.84 1itw h TRP 667 N 1.12 0.66 -0.33 4.88 7.01 -0.74 -0.89 115.95 127.66 1itw h TRP 667 Ca 0.40 -0.16 -0.07 0.00 2.11 0.00 0.00 58.89 61.17 1itw h TRP 667 Cb 0.13 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 1itw h TRP 667 CO -0.00 0.80 -0.10 0.00 -2.79 0.00 0.00 178.44 176.36 1itw h ALA 668 N 0.76 1.21 -0.18 2.65 0.00 -0.35 -1.23 119.26 122.12 1itw h ALA 668 Ca 0.07 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1itw h ALA 668 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1itw h ALA 668 CO 0.04 0.51 -0.42 1.96 0.00 0.00 0.00 179.25 181.34 1itw h GLN 669 N 0.52 0.60 -0.87 0.00 4.20 -0.92 -1.63 115.11 117.01 1itw h GLN 669 Ca 0.10 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1itw h GLN 669 Cb 0.48 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1itw h GLN 669 CO 0.03 1.02 0.53 0.00 -0.67 0.00 0.00 178.83 179.74 1itw h ALA 670 N 0.57 1.10 -0.11 3.87 0.00 -0.97 0.13 119.26 123.86 1itw h ALA 670 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1itw h ALA 670 Cb 1.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1itw h ALA 670 CO 0.09 0.56 -0.34 -0.07 0.00 0.00 0.00 179.25 179.49 1itw h LEU 671 N 1.19 0.22 0.00 0.00 3.38 -1.17 -0.93 115.31 118.00 1itw h LEU 671 Ca 0.31 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1itw h LEU 671 Cb -0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1itw h LEU 671 CO -0.06 0.56 -0.23 0.00 0.09 0.00 0.00 178.44 178.80 1itw h ALA 672 N 1.46 0.87 0.08 1.53 0.00 -0.49 -3.31 119.26 119.41 1itw h ALA 672 Ca 0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.50 1itw h ALA 672 Cb 0.70 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1itw h ALA 672 CO 0.05 0.17 -1.64 0.00 0.00 0.00 0.00 179.25 177.83 1itw h ALA 673 N 1.87 0.44 -2.33 0.00 0.00 -0.40 -3.47 119.26 115.36 1itw h ALA 673 Ca -0.01 -1.25 -0.49 0.00 0.00 0.00 0.00 54.91 53.17 1itw h ALA 673 Cb 1.10 0.39 0.06 0.00 0.00 0.00 0.00 17.79 19.35 1itw h ALA 673 CO 0.02 1.30 0.38 1.14 0.00 0.00 0.00 179.25 182.08 1itw s GLN 674 N -2.61 3.35 0.00 0.00 1.03 -0.39 -4.98 119.66 116.07 1itw s GLN 674 Ca -0.10 1.16 0.00 0.00 0.04 0.00 0.00 55.36 56.46 1itw s GLN 674 Cb 0.07 -2.04 0.00 0.00 0.03 0.00 0.00 33.01 31.07 1itw s GLN 674 CO 0.83 -0.78 0.49 0.25 -2.54 0.00 0.00 175.29 173.53 1itw n THR 675 N -2.07 0.15 -0.30 3.63 -2.24 -1.26 -4.59 114.28 107.60 1itw n THR 675 Ca 0.08 -0.46 0.26 0.00 -2.27 0.00 0.00 64.05 61.66 1itw n THR 675 Cb 0.53 1.10 0.58 0.00 -2.10 0.00 0.00 70.33 70.45 1itw n THR 675 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1itw h GLU 676 N 0.00 0.26 -3.00 -0.78 4.39 -1.96 -3.14 114.58 110.35 1itw h GLU 676 Ca 0.00 -0.02 -0.58 0.00 0.34 0.00 0.00 59.36 59.11 1itw h GLU 676 Cb 0.21 -0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 28.40 1itw h GLU 676 CO 0.00 0.17 -0.78 0.34 -1.16 0.00 0.00 179.01 177.58 1itw s ASP 677 N -5.31 3.55 0.40 1.42 -1.08 -1.26 -5.00 116.67 109.40 1itw s ASP 677 Ca -0.07 -1.92 0.12 0.00 -0.52 0.00 0.00 52.55 50.15 1itw s ASP 677 Cb 0.24 -0.66 0.93 0.00 -1.46 0.00 0.00 42.92 41.98 1itw s ASP 677 CO 0.80 -0.36 1.95 0.11 0.52 0.00 0.00 175.17 178.18 1itw h LYS 678 N 7.58 0.52 0.00 4.34 1.57 -1.87 -0.80 116.57 127.91 1itw h LYS 678 Ca -0.07 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1itw h LYS 678 Cb 0.98 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1itw h LYS 678 CO 0.41 0.34 -0.03 0.93 -0.57 0.00 0.00 179.45 180.53 1itw h GLU 679 N 0.54 -0.06 -0.47 3.15 5.08 -1.94 0.20 114.58 121.08 1itw h GLU 679 Ca 0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1itw h GLU 679 Cb 0.56 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1itw h GLU 679 CO -0.11 -0.04 0.22 -0.07 -1.00 0.00 0.00 179.01 178.01 1itw h LEU 680 N -0.06 0.63 0.09 1.33 3.38 -1.70 -1.37 115.31 117.61 1itw h LEU 680 Ca 0.01 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1itw h LEU 680 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1itw h LEU 680 CO -0.03 0.59 -0.24 -0.61 0.09 0.00 0.00 178.44 178.24 1itw h GLN 681 N 0.62 -0.41 -0.81 1.13 4.15 -0.83 -0.56 115.11 118.40 1itw h GLN 681 Ca 0.16 0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.69 1itw h GLN 681 Cb 0.14 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 1itw h GLN 681 CO -0.02 -0.27 0.53 0.00 -1.93 0.00 0.00 178.83 177.14 1itw h ALA 682 N 0.36 1.67 -0.23 3.38 0.00 -0.45 -2.16 119.26 121.83 1itw h ALA 682 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1itw h ALA 682 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1itw h ALA 682 CO -0.15 0.19 -0.12 0.37 0.00 0.00 0.00 179.25 179.53 1itw h GLN 683 N 0.83 0.48 -0.25 0.00 4.15 -0.40 -3.19 115.11 116.73 1itw h GLN 683 Ca 0.36 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1itw h GLN 683 Cb 0.32 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1itw h GLN 683 CO -0.13 0.77 0.00 1.19 -1.93 0.00 0.00 178.83 178.72 1itw n PHE 684 N -4.50 0.33 0.20 3.99 3.01 -0.30 -4.18 117.46 116.01 1itw n PHE 684 Ca -0.04 -0.16 -0.14 0.00 1.01 0.00 0.00 57.45 58.12 1itw n PHE 684 Cb 0.35 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.74 1itw n PHE 684 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1itw h THR 685 N 1.71 0.56 -0.84 4.37 2.02 -1.38 0.16 112.91 119.50 1itw h THR 685 Ca 0.00 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1itw h THR 685 Cb 0.39 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1itw h THR 685 CO 0.00 0.09 0.40 1.23 0.37 0.00 0.00 175.52 177.61 1itw h GLY 686 N -0.84 1.28 0.89 2.16 0.00 -1.78 -1.49 103.07 103.30 1itw h GLY 686 Ca -0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1itw h GLY 686 CO 0.09 0.60 -0.07 -2.22 0.00 0.00 0.00 176.54 174.94 1itw h ILE 687 N 1.19 0.93 -0.55 2.60 1.08 -1.74 0.57 117.51 121.59 1itw h ILE 687 Ca 0.29 -0.24 0.08 0.00 -0.39 0.00 0.00 64.86 64.60 1itw h ILE 687 Cb 0.11 1.08 -0.06 0.00 -3.07 0.00 0.00 36.82 34.88 1itw h ILE 687 CO -0.04 0.06 0.20 0.00 -0.69 0.00 0.00 178.15 177.68 1itw h ALA 688 N 0.56 0.68 -0.30 1.87 0.00 -0.46 -1.15 119.26 120.46 1itw h ALA 688 Ca -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1itw h ALA 688 Cb 0.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1itw h ALA 688 CO 0.03 -0.20 0.07 -0.22 0.00 0.00 0.00 179.25 178.92 1itw h LYS 689 N 0.38 0.49 -0.34 0.00 3.64 -1.12 -0.64 116.57 118.97 1itw h LYS 689 Ca 0.27 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1itw h LYS 689 Cb 0.30 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 1itw h LYS 689 CO -0.27 0.57 -0.04 0.00 -2.27 0.00 0.00 179.45 177.44 1itw h ALA 690 N 0.90 0.27 -0.24 5.00 0.00 -0.30 -0.47 119.26 124.41 1itw h ALA 690 Ca 0.09 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1itw h ALA 690 Cb 0.31 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1itw h ALA 690 CO 0.00 -0.43 -0.41 -0.07 0.00 0.00 0.00 179.25 178.34 1itw h LEU 691 N 0.05 0.61 0.05 0.00 3.38 -1.16 -2.65 115.31 115.59 1itw h LEU 691 Ca 0.16 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1itw h LEU 691 Cb 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1itw h LEU 691 CO -0.31 0.95 -0.02 0.74 0.09 0.00 0.00 178.44 179.89 1itw h THR 692 N 0.47 1.09 0.00 0.22 2.02 -0.53 -2.69 112.91 113.50 1itw h THR 692 Ca 0.04 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 1itw h THR 692 Cb 0.92 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1itw h THR 692 CO 0.08 0.12 -0.22 0.44 0.37 0.00 0.00 175.52 176.30 1itw h ASP 693 N -0.27 0.00 -0.51 4.18 3.32 -1.14 -3.11 116.42 118.89 1itw h ASP 693 Ca -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1itw h ASP 693 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1itw h ASP 693 CO 0.01 0.22 0.04 0.59 -1.72 0.00 0.00 179.24 178.38 1itw n ASN 694 N -3.49 5.04 0.30 6.45 3.02 -1.00 -4.68 115.26 120.90 1itw n ASN 694 Ca -0.00 -3.02 -0.18 0.00 -0.03 0.00 0.00 54.58 51.34 1itw n ASN 694 Cb 0.39 -0.66 -0.09 0.00 -0.61 0.00 0.00 39.78 38.81 1itw n ASN 694 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1itw h GLU 695 N 3.13 -0.92 -0.55 3.52 4.81 -1.41 0.33 114.58 123.50 1itw h GLU 695 Ca 0.04 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1itw h GLU 695 Cb 1.89 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 31.44 1itw h GLU 695 CO 0.46 -0.61 0.31 1.15 -0.73 0.00 0.00 179.01 179.58 1itw h THR 696 N -0.95 1.02 -0.06 0.32 2.02 -1.87 0.18 112.91 113.57 1itw h THR 696 Ca -0.06 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1itw h THR 696 Cb 0.82 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1itw h THR 696 CO -0.02 0.11 0.04 0.50 0.37 0.00 0.00 175.52 176.52 1itw h LYS 697 N 0.61 0.09 0.45 6.66 3.64 -1.85 -0.77 116.57 125.39 1itw h LYS 697 Ca 0.23 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1itw h LYS 697 Cb 0.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1itw h LYS 697 CO -0.12 0.13 -0.22 0.82 -2.27 0.00 0.00 179.45 177.79 1itw h ILE 698 N 0.02 0.55 -0.52 2.00 2.04 -0.69 0.63 117.51 121.55 1itw h ILE 698 Ca 0.02 -0.16 0.11 0.00 1.00 0.00 0.00 64.86 65.83 1itw h ILE 698 Cb 0.07 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1itw h ILE 698 CO -0.00 0.03 0.36 0.58 0.00 0.00 0.00 178.15 179.12 1itw h VAL 699 N -0.70 0.83 -0.19 1.67 2.07 -0.97 0.12 116.25 119.09 1itw h VAL 699 Ca -0.06 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 67.18 1itw h VAL 699 Cb 0.51 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1itw h VAL 699 CO 0.10 0.04 -0.72 1.23 0.02 0.00 0.00 177.57 178.24 1itw h GLY 700 N 0.20 0.90 0.98 2.17 0.00 -0.74 -1.52 103.07 105.06 1itw h GLY 700 Ca 0.25 -1.21 -0.05 0.00 0.00 0.00 0.00 47.33 46.32 1itw h GLY 700 CO -0.04 1.08 0.15 0.83 0.00 0.00 0.00 176.54 178.56 1itw h GLU 701 N 0.57 0.82 -0.51 4.80 5.08 0.11 -1.31 114.58 124.14 1itw h GLU 701 Ca -0.04 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1itw h GLU 701 Cb 1.34 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1itw h GLU 701 CO 0.15 0.77 0.07 -0.07 -1.00 0.00 0.00 179.01 178.93 1itw h LEU 702 N 0.72 0.83 -1.41 1.33 3.38 -0.86 -2.73 115.31 116.57 1itw h LEU 702 Ca 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1itw h LEU 702 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1itw h LEU 702 CO -0.00 0.89 0.22 0.00 0.09 0.00 0.00 178.44 179.63 1itw h ALA 703 N 0.97 1.55 0.00 1.53 0.00 -1.05 -1.33 119.26 120.92 1itw h ALA 703 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1itw h ALA 703 Cb 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1itw h ALA 703 CO 0.01 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1itw h ALA 704 N 1.62 1.00 -0.00 0.00 0.00 -0.92 -1.36 119.26 119.59 1itw h ALA 704 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1itw h ALA 704 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1itw h ALA 704 CO -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.14 1itw n ALA 705 N -1.91 2.71 -1.98 0.00 0.00 -0.50 -4.87 120.51 113.96 1itw n ALA 705 Ca -0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 1itw n ALA 705 Cb 0.16 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.29 1itw n ALA 705 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1itw s GLN 706 N -2.44 2.40 0.00 0.00 -0.21 -0.52 -4.44 119.66 114.46 1itw s GLN 706 Ca 0.30 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1itw s GLN 706 Cb 0.20 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1itw s GLN 706 CO 0.46 -0.84 0.00 0.41 -2.12 0.00 0.00 175.29 173.20 1itw n GLY 707 N -2.43 1.35 3.39 3.09 0.00 0.20 -4.92 105.19 105.87 1itw n GLY 707 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1itw n GLY 707 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itw s LYS 708 N -0.15 2.09 0.42 1.61 1.02 -1.14 -4.87 119.74 118.72 1itw s LYS 708 Ca 0.00 -0.95 -0.26 0.00 0.02 0.00 0.00 55.97 54.78 1itw s LYS 708 Cb 0.00 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 1itw s LYS 708 CO 0.00 0.55 1.38 -2.14 -0.92 0.00 0.00 175.35 174.23 1itw s PRO 709 N -1.04 3.87 -0.09 -1.68 0.02 -1.22 -1.39 135.00 133.47 1itw s PRO 709 Ca 0.12 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.50 1itw s PRO 709 Cb -0.10 -2.75 -0.02 0.00 0.02 0.00 0.00 34.50 31.65 1itw s PRO 709 CO 0.02 -0.64 -0.17 0.08 -0.33 0.00 0.00 177.00 175.96 1itw s VAL 710 N -1.21 2.75 -0.22 3.83 1.01 0.17 -4.85 120.40 121.87 1itw s VAL 710 Ca 0.58 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1itw s VAL 710 Cb -0.42 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1itw s VAL 710 CO 0.54 0.56 -0.13 -0.62 0.00 0.00 0.00 175.10 175.45 1itw s ASP 711 N -0.08 3.82 -0.13 3.32 -1.08 -1.26 -4.59 116.67 116.67 1itw s ASP 711 Ca -0.03 -1.07 0.15 0.00 -0.52 0.00 0.00 52.55 51.08 1itw s ASP 711 Cb -0.14 -1.45 0.47 0.00 -1.46 0.00 0.00 42.92 40.33 1itw s ASP 711 CO 0.04 -0.13 1.37 2.30 0.52 0.00 0.00 175.17 179.28 1itw n ILE 712 N 4.55 1.93 -3.63 4.11 -5.35 -1.26 -4.89 119.36 114.82 1itw n ILE 712 Ca -0.16 -1.64 -0.23 0.00 -0.27 0.00 0.00 62.75 60.45 1itw n ILE 712 Cb 0.45 -0.05 0.04 0.00 -1.74 0.00 0.00 39.64 38.35 1itw n ILE 712 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1itw n ALA 713 N -0.23 -2.23 0.00 -1.28 0.00 -1.26 -0.06 120.51 115.44 1itw n ALA 713 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1itw n ALA 713 Cb 0.76 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1itw n ALA 713 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itw n GLY 714 N -1.56 0.25 2.00 0.00 0.00 -1.26 -3.45 105.19 101.17 1itw n GLY 714 Ca -0.21 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1itw n GLY 714 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1itw n TYR 715 N 1.96 -1.76 0.16 1.61 9.36 -1.26 -4.64 117.16 122.59 1itw n TYR 715 Ca 0.00 0.32 0.04 0.00 3.32 0.00 0.00 57.90 61.58 1itw n TYR 715 Cb 0.00 0.62 0.10 0.00 -0.63 0.00 0.00 39.34 39.43 1itw n TYR 715 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1itw h TYR 716 N 0.00 0.00 -1.50 2.98 -1.99 -1.96 -3.38 116.97 111.13 1itw h TYR 716 Ca 0.00 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.29 1itw h TYR 716 Cb 0.00 0.00 -0.33 0.00 2.00 0.00 0.00 36.73 38.40 1itw h TYR 716 CO 0.00 0.45 -0.99 1.58 -0.00 0.00 0.00 178.16 179.20 1itw n HIS 717 N -3.27 -0.78 -1.19 4.88 -0.00 -1.26 -4.40 115.22 109.20 1itw n HIS 717 Ca 0.02 -3.29 -0.30 0.00 -0.00 0.00 0.00 57.72 54.15 1itw n HIS 717 Cb 0.68 0.11 0.14 0.00 -0.00 0.00 0.00 29.99 30.92 1itw n HIS 717 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1itw s PRO 718 N -1.38 1.15 -0.10 1.57 0.04 -1.26 -4.75 135.00 130.26 1itw s PRO 718 Ca 0.35 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 1itw s PRO 718 Cb 0.28 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.97 1itw s PRO 718 CO -0.10 -2.31 1.68 1.21 0.04 0.00 0.00 177.00 177.52 1itw s ASN 719 N -3.40 6.52 0.43 6.66 3.84 0.92 -4.87 114.94 125.03 1itw s ASN 719 Ca 0.64 2.06 0.10 0.00 0.21 0.00 0.00 52.86 55.87 1itw s ASN 719 Cb -0.18 -2.53 0.95 0.00 -0.55 0.00 0.00 41.25 38.94 1itw s ASN 719 CO 0.57 -1.08 2.05 0.71 -2.79 0.00 0.00 177.10 176.56 1itw h THR 720 N 5.82 1.09 -0.08 -5.21 1.35 -1.92 -1.52 112.91 112.44 1itw h THR 720 Ca -0.38 -0.29 -0.06 0.00 -0.55 0.00 0.00 66.41 65.13 1itw h THR 720 Cb 1.18 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1itw h THR 720 CO 0.97 0.11 -0.18 0.44 -0.25 0.00 0.00 175.52 176.61 1itw h ASP 721 N 0.32 0.30 -0.51 5.36 3.32 -1.96 -1.26 116.42 122.00 1itw h ASP 721 Ca 0.08 -0.57 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 1itw h ASP 721 Cb 0.07 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1itw h ASP 721 CO -0.01 0.81 0.10 -0.07 -1.72 0.00 0.00 179.24 178.35 1itw h LEU 722 N -0.20 0.84 -0.37 1.55 3.38 -1.86 -1.74 115.31 116.90 1itw h LEU 722 Ca 0.00 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 1itw h LEU 722 Cb 0.77 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1itw h LEU 722 CO 0.04 0.85 -0.14 0.74 0.09 0.00 0.00 178.44 180.01 1itw h THR 723 N 0.84 1.28 -0.64 0.22 2.02 -1.28 -1.73 112.91 113.61 1itw h THR 723 Ca 0.18 -1.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 1itw h THR 723 Cb 0.37 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1itw h THR 723 CO 0.01 0.42 0.13 -1.28 0.37 0.00 0.00 175.52 175.17 1itw h SER 724 N 0.55 0.98 -0.16 4.18 0.87 -1.01 -1.15 113.55 117.80 1itw h SER 724 Ca 0.09 -0.21 -0.13 0.00 -1.23 0.00 0.00 61.79 60.31 1itw h SER 724 Cb 0.68 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1itw h SER 724 CO 0.05 0.95 -0.34 0.11 -0.53 0.00 0.00 176.83 177.07 1itw h LYS 725 N 0.98 0.67 -0.18 2.24 6.56 -1.23 -1.90 116.57 123.71 1itw h LYS 725 Ca 0.20 -0.32 -0.17 0.00 -1.06 0.00 0.00 60.65 59.30 1itw h LYS 725 Cb 0.38 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1itw h LYS 725 CO 0.01 0.92 -0.59 0.00 -2.06 0.00 0.00 179.45 177.72 1itw h ALA 726 N 1.06 0.62 -0.00 3.86 0.00 -1.09 -3.04 119.26 120.67 1itw h ALA 726 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1itw h ALA 726 Cb 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1itw h ALA 726 CO 0.07 0.70 -0.04 -1.33 0.00 0.00 0.00 179.25 178.66 1itw n MET 727 N -3.95 0.17 -3.16 0.00 2.81 -0.45 -3.96 117.12 108.58 1itw n MET 727 Ca -0.04 -0.01 -0.22 0.00 -1.81 0.00 0.00 57.70 55.62 1itw n MET 727 Cb 0.63 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.60 1itw n MET 727 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1itw n ARG 728 N -1.40 1.50 0.00 0.03 1.74 -0.72 -4.54 116.66 113.26 1itw n ARG 728 Ca 0.10 -3.75 0.14 0.00 -0.77 0.00 0.00 57.85 53.56 1itw n ARG 728 Cb 0.31 -1.75 0.76 0.00 -1.02 0.00 0.00 32.46 30.76 1itw n ARG 728 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1itw n PRO 729 N 0.47 0.57 -3.30 5.56 -0.04 -1.19 -4.73 135.00 132.34 1itw n PRO 729 Ca 0.26 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.29 1itw n PRO 729 Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1itw n PRO 729 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1itw s SER 730 N -2.39 6.18 0.23 3.54 0.15 -1.26 -4.78 113.70 115.36 1itw s SER 730 Ca 0.32 -0.98 -0.05 0.00 0.70 0.00 0.00 55.95 55.94 1itw s SER 730 Cb 0.19 -2.23 0.22 0.00 -1.71 0.00 0.00 66.02 62.50 1itw s SER 730 CO 0.40 -0.69 1.74 0.00 1.20 0.00 0.00 173.24 175.90 1itw h ALA 731 N 8.81 1.03 -0.04 5.45 0.00 -1.96 -1.60 119.26 130.95 1itw h ALA 731 Ca -0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1itw h ALA 731 Cb 1.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1itw h ALA 731 CO 0.87 0.63 0.02 1.15 0.00 0.00 0.00 179.25 181.91 1itw h THR 732 N 0.95 1.12 -0.29 0.00 2.02 -1.96 0.61 112.91 115.35 1itw h THR 732 Ca 0.19 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1itw h THR 732 Cb 0.39 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1itw h THR 732 CO 0.01 0.10 0.17 0.15 0.37 0.00 0.00 175.52 176.31 1itw h PHE 733 N -0.07 0.38 -0.93 3.16 3.57 -1.92 0.85 116.94 121.99 1itw h PHE 733 Ca 0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1itw h PHE 733 Cb 0.14 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1itw h PHE 733 CO -0.03 0.30 0.62 -0.91 -2.23 0.00 0.00 178.31 176.06 1itw h ASN 734 N 0.36 1.06 -0.29 0.41 2.35 -1.19 -2.46 115.58 115.83 1itw h ASN 734 Ca 0.10 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1itw h ASN 734 Cb 0.03 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1itw h ASN 734 CO -0.02 0.77 0.09 0.00 -1.65 0.00 0.00 177.43 176.62 1itw h ALA 735 N 1.42 0.38 -0.06 -0.83 0.00 -0.20 -2.17 119.26 117.80 1itw h ALA 735 Ca 0.34 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1itw h ALA 735 Cb -0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1itw h ALA 735 CO -0.08 0.02 0.06 0.00 0.00 0.00 0.00 179.25 179.25 1itw h ALA 736 N 0.92 1.78 0.00 0.00 0.00 -0.39 -1.49 119.26 120.08 1itw h ALA 736 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1itw h ALA 736 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1itw h ALA 736 CO -0.00 -0.09 -0.86 1.28 0.00 0.00 0.00 179.25 179.58 1itw n LEU 737 N -4.10 0.77 -0.20 0.00 4.77 -1.05 -4.48 117.00 112.72 1itw n LEU 737 Ca -0.01 -0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 55.68 1itw n LEU 737 Cb 0.16 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1itw n LEU 737 CO 0.30 0.18 0.74 0.00 -1.33 0.00 0.00 177.39 177.29 1itw h ALA 738 N 2.93 0.39 -0.23 -1.18 0.00 -0.61 -0.16 119.26 120.40 1itw h ALA 738 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1itw h ALA 738 Cb 0.53 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1itw h ALA 738 CO 0.00 -0.43 0.45 -1.35 0.00 0.00 0.00 179.25 177.92 1itw h PRO 739 N -0.00 0.00 -0.01 0.00 0.11 -1.78 -3.52 132.00 126.79 1itw h PRO 739 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1itw h PRO 739 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1itw h PRO 739 CO -0.62 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.45