#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itw n THR 3 N 0.00 0.03 -1.54 6.66 -1.04 -1.26 -4.85 114.28 112.28 1itw n THR 3 Ca 0.00 -0.01 -0.46 0.00 -2.04 0.00 0.00 64.05 61.55 1itw n THR 3 Cb 0.00 -1.23 -0.02 0.00 -1.82 0.00 0.00 70.33 67.26 1itw n THR 3 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1itw n PRO 4 N 3.21 0.99 -4.65 -2.82 -0.02 -1.26 -4.73 135.00 125.72 1itw n PRO 4 Ca 0.18 0.35 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 1itw n PRO 4 Cb 0.24 -1.64 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.28 1.23 -0.15 -0.52 2.20 -1.26 -1.03 119.74 118.94 1itw s LYS 5 Ca 0.62 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.74 1itw s LYS 5 Cb -0.78 -1.16 -0.00 0.00 -1.51 0.00 0.00 37.83 34.38 1itw s LYS 5 CO 0.58 0.27 -0.17 0.42 -0.36 0.00 0.00 175.35 176.09 1itw s ILE 6 N -0.19 2.54 -0.22 5.43 1.01 0.69 -4.42 121.20 126.03 1itw s ILE 6 Ca 0.03 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 1itw s ILE 6 Cb -0.07 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1itw s ILE 6 CO 0.00 0.52 0.42 -0.63 0.00 0.00 0.00 174.94 175.26 1itw s ILE 7 N 0.76 5.16 -0.26 2.92 -1.09 0.29 -1.19 121.20 127.80 1itw s ILE 7 Ca -0.07 0.73 -0.06 0.00 -2.23 0.00 0.00 60.65 59.02 1itw s ILE 7 Cb -0.16 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1itw s ILE 7 CO 0.00 0.20 0.04 -0.47 -1.23 0.00 0.00 174.94 173.49 1itw s TYR 8 N 1.65 3.07 0.07 3.97 5.04 0.65 -0.24 117.35 131.57 1itw s TYR 8 Ca 0.19 -0.76 -0.30 0.00 -2.44 0.00 0.00 57.07 53.75 1itw s TYR 8 Cb -0.15 -2.21 -0.05 0.00 0.35 0.00 0.00 41.96 39.90 1itw s TYR 8 CO 0.09 -0.49 1.09 0.95 -1.34 0.00 0.00 175.55 175.85 1itw s THR 9 N 1.54 4.30 -0.30 4.34 -4.23 -0.80 -2.78 115.64 117.71 1itw s THR 9 Ca 0.05 1.73 -0.18 0.00 -1.18 0.00 0.00 61.69 62.11 1itw s THR 9 Cb -0.16 -4.11 -0.02 0.00 1.34 0.00 0.00 72.50 69.56 1itw s THR 9 CO 0.01 0.18 0.52 -0.76 -0.54 0.00 0.00 174.62 174.04 1itw s LEU 10 N 0.66 4.16 0.00 4.79 1.02 0.02 -4.61 118.68 124.72 1itw s LEU 10 Ca 0.54 0.31 0.00 0.00 0.02 0.00 0.00 54.13 55.00 1itw s LEU 10 Cb -0.26 -2.65 0.00 0.00 0.02 0.00 0.00 46.19 43.30 1itw s LEU 10 CO 0.30 -0.38 0.00 0.35 0.02 0.00 0.00 176.35 176.64 1itw n THR 11 N 5.29 0.00 -4.52 5.49 -2.24 -1.26 -1.74 114.28 115.30 1itw n THR 11 Ca -0.04 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.49 1itw n THR 11 Cb 0.49 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.35 3.57 0.00 3.42 1.01 -1.26 -4.40 116.67 119.37 1itw s ASP 12 Ca 0.00 -1.19 0.00 0.00 0.71 0.00 0.00 52.55 52.07 1itw s ASP 12 Cb 0.00 -0.32 0.00 0.00 1.01 0.00 0.00 42.92 43.61 1itw s ASP 12 CO 0.00 -0.22 0.00 -0.62 0.21 0.00 0.00 175.17 174.54 1itw n GLU 13 N -0.75 0.00 0.20 8.23 1.02 -1.26 -2.47 120.64 125.60 1itw n GLU 13 Ca -0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.94 1itw n GLU 13 Cb 0.63 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.98 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 -0.52 -0.81 0.62 0.00 -1.51 -0.97 119.26 116.07 1itw h ALA 14 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1itw h ALA 14 Cb 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1itw h ALA 14 CO 0.00 -0.81 0.53 -1.35 0.00 0.00 0.00 179.25 177.62 1itw h PRO 15 N -0.54 0.88 -0.57 0.00 0.11 -1.73 -0.68 132.00 129.48 1itw h PRO 15 Ca -0.03 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.04 1itw h PRO 15 Cb 0.46 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 1itw h PRO 15 CO 0.01 0.59 0.38 0.00 -0.21 0.00 0.00 178.00 178.76 1itw h ALA 16 N 1.55 0.72 0.01 -0.75 0.00 -1.15 -0.60 119.26 119.04 1itw h ALA 16 Ca 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1itw h ALA 16 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1itw h ALA 16 CO -0.12 0.16 -0.00 -0.07 0.00 0.00 0.00 179.25 179.22 1itw h LEU 17 N 0.77 -0.01 -1.46 0.00 3.38 0.01 -2.91 115.31 115.10 1itw h LEU 17 Ca 0.21 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1itw h LEU 17 Cb -0.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1itw h LEU 17 CO -0.05 0.20 0.52 0.00 0.09 0.00 0.00 178.44 179.21 1itw h ALA 18 N 0.77 1.96 -0.46 1.53 0.00 -0.91 -1.31 119.26 120.83 1itw h ALA 18 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1itw h ALA 18 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1itw h ALA 18 CO 0.00 -0.16 0.21 1.15 0.00 0.00 0.00 179.25 180.45 1itw h THR 19 N 0.55 1.16 0.00 0.00 2.02 -0.90 -0.29 112.91 115.46 1itw h THR 19 Ca 0.38 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1itw h THR 19 Cb 0.71 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1itw h THR 19 CO -0.14 0.19 -0.02 1.88 0.37 0.00 0.00 175.52 177.80 1itw h TYR 20 N 0.65 0.00 0.04 3.16 -1.99 -1.21 -0.59 116.97 117.04 1itw h TYR 20 Ca 0.16 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.58 1itw h TYR 20 Cb 0.09 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.79 1itw h TYR 20 CO 0.01 0.02 -1.70 0.45 -0.00 0.00 0.00 178.16 176.94 1itw n SER 21 N -3.94 1.97 0.01 3.88 2.88 -0.61 -4.52 113.62 113.28 1itw n SER 21 Ca -0.03 0.32 -0.18 0.00 -1.33 0.00 0.00 58.87 57.64 1itw n SER 21 Cb 0.11 -0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 62.58 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 -0.60 0.74 -0.66 2.46 5.85 -0.94 -3.33 115.31 118.83 1itw h LEU 22 Ca -0.42 -0.72 0.10 0.00 0.84 0.00 0.00 57.88 57.68 1itw h LEU 22 Cb 1.61 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.34 1itw h LEU 22 CO -0.13 1.36 0.28 0.25 -0.34 0.00 0.00 178.44 179.86 1itw h LEU 23 N 0.19 0.31 -1.47 2.25 5.85 -1.35 0.83 115.31 121.92 1itw h LEU 23 Ca -0.09 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1itw h LEU 23 Cb 1.45 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 1itw h LEU 23 CO 0.15 0.17 0.28 -0.65 -0.34 0.00 0.00 178.44 178.06 1itw h PRO 24 N 0.48 0.64 -0.33 5.25 0.11 -1.77 0.07 132.00 136.45 1itw h PRO 24 Ca 0.34 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 1itw h PRO 24 Cb 0.41 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1itw h PRO 24 CO -0.31 0.45 -0.03 0.82 -0.21 0.00 0.00 178.00 178.73 1itw h ILE 25 N 0.65 1.27 -0.34 4.15 2.04 -1.07 -1.47 117.51 122.74 1itw h ILE 25 Ca 0.17 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1itw h ILE 25 Cb -0.02 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1itw h ILE 25 CO -0.03 0.33 0.19 0.40 0.00 0.00 0.00 178.15 179.04 1itw h ILE 26 N 0.39 1.03 -0.62 -0.67 2.04 -0.04 -1.64 117.51 118.01 1itw h ILE 26 Ca 0.09 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1itw h ILE 26 Cb 0.49 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1itw h ILE 26 CO 0.02 0.07 0.17 0.11 0.00 0.00 0.00 178.15 178.53 1itw h LYS 27 N 0.39 0.94 -0.65 2.37 1.57 -0.93 -1.80 116.57 118.46 1itw h LYS 27 Ca 0.13 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1itw h LYS 27 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1itw h LYS 27 CO -0.07 0.82 0.20 0.00 -0.57 0.00 0.00 179.45 179.83 1itw h ALA 28 N 1.28 0.86 0.00 3.86 0.00 -0.90 -1.21 119.26 123.15 1itw h ALA 28 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1itw h ALA 28 Cb 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1itw h ALA 28 CO -0.01 0.54 -0.12 0.74 0.00 0.00 0.00 179.25 180.40 1itw h PHE 29 N 0.95 0.00 -0.01 0.00 -1.00 -1.07 -3.30 116.94 112.52 1itw h PHE 29 Ca 0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1itw h PHE 29 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.87 1itw h PHE 29 CO 0.02 0.12 -0.50 0.25 -1.61 0.00 0.00 178.31 176.59 1itw n THR 30 N -3.14 0.00 0.06 -1.55 -2.24 -0.70 -4.61 114.28 102.11 1itw n THR 30 Ca 0.03 -0.25 0.12 0.00 -2.27 0.00 0.00 64.05 61.69 1itw n THR 30 Cb 0.55 1.17 0.60 0.00 -2.10 0.00 0.00 70.33 70.55 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 4.10 0.21 -1.67 3.38 0.00 -1.30 -2.53 103.07 105.26 1itw h GLY 31 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1itw h GLY 31 CO 0.00 0.05 0.00 -1.14 0.00 0.00 0.00 176.54 175.45 1itw n SER 32 N -4.47 2.73 -1.28 0.19 3.41 -1.26 -4.27 113.62 108.68 1itw n SER 32 Ca 0.05 -1.88 0.09 0.00 -0.26 0.00 0.00 58.87 56.87 1itw n SER 32 Cb 0.32 -0.11 0.30 0.00 -0.26 0.00 0.00 64.21 64.46 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 1.06 4.18 -2.40 4.04 7.64 -0.95 -4.96 113.62 122.24 1itw n SER 33 Ca 0.17 -2.37 -0.13 0.00 1.01 0.00 0.00 58.87 57.55 1itw n SER 33 Cb 0.52 -0.49 0.05 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.86 0.02 3.07 0.23 0.00 -1.26 -4.69 105.19 103.43 1itw n GLY 34 Ca 0.22 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.20 1.29 -0.13 -0.61 1.01 -1.24 -4.17 121.20 114.15 1itw s ILE 35 Ca 0.23 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 1itw s ILE 35 Cb -0.10 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1itw s ILE 35 CO 0.44 0.39 -0.01 0.00 0.00 0.00 0.00 174.94 175.76 1itw s ALA 36 N 0.42 3.17 -0.21 9.38 0.00 -0.19 -4.61 121.76 129.73 1itw s ALA 36 Ca -0.11 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1itw s ALA 36 Cb -0.14 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.42 1itw s ALA 36 CO 0.04 0.37 -0.12 0.08 0.00 0.00 0.00 175.76 176.13 1itw s VAL 37 N -0.18 2.70 0.12 0.00 1.01 -1.26 -0.22 120.40 122.58 1itw s VAL 37 Ca 0.04 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.33 1itw s VAL 37 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1itw s VAL 37 CO 0.02 0.43 -0.22 -1.61 0.00 0.00 0.00 175.10 173.72 1itw s GLU 38 N 1.37 1.62 0.13 2.72 2.02 -0.33 -4.96 118.70 121.26 1itw s GLU 38 Ca 0.04 -1.26 0.03 0.00 0.02 0.00 0.00 54.97 53.81 1itw s GLU 38 Cb -0.14 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 1itw s GLU 38 CO -0.08 0.47 0.18 0.95 0.02 0.00 0.00 175.26 176.79 1itw s THR 39 N -1.12 4.84 -0.02 3.63 -4.23 -1.26 -0.25 115.64 117.23 1itw s THR 39 Ca 0.16 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 1itw s THR 39 Cb -0.10 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1itw s THR 39 CO 0.08 -0.03 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.97 1itw s ARG 40 N -2.94 0.39 -0.51 3.99 1.81 -1.12 -4.91 118.95 115.66 1itw s ARG 40 Ca 0.32 -0.08 -0.19 0.00 -1.72 0.00 0.00 55.73 54.06 1itw s ARG 40 Cb -0.11 -0.43 0.06 0.00 -0.45 0.00 0.00 34.95 34.02 1itw s ARG 40 CO 0.25 0.00 0.63 0.34 -0.68 0.00 0.00 175.30 175.84 1itw s ASP 41 N 0.35 6.22 -0.18 0.23 3.68 -1.26 -0.80 116.67 124.91 1itw s ASP 41 Ca -0.04 -0.96 0.16 0.00 2.13 0.00 0.00 52.55 53.84 1itw s ASP 41 Cb -0.07 -2.29 0.44 0.00 -1.45 0.00 0.00 42.92 39.56 1itw s ASP 41 CO -0.01 -0.90 1.33 2.30 0.13 0.00 0.00 175.17 178.02 1itw n ILE 42 N 5.60 2.19 -1.01 4.11 -5.35 -0.71 -4.49 119.36 119.70 1itw n ILE 42 Ca -0.07 -2.18 -0.31 0.00 -0.27 0.00 0.00 62.75 59.92 1itw n ILE 42 Cb 0.45 -0.26 0.13 0.00 -1.74 0.00 0.00 39.64 38.22 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 -2.38 3.69 0.16 7.28 1.04 -1.07 -4.76 113.70 117.66 1itw s SER 43 Ca 0.39 1.94 -0.15 0.00 0.48 0.00 0.00 55.95 58.61 1itw s SER 43 Cb 0.33 -2.51 0.06 0.00 0.10 0.00 0.00 66.02 64.00 1itw s SER 43 CO 0.05 -2.58 1.80 0.25 0.98 0.00 0.00 173.24 173.74 1itw h LEU 44 N -1.50 0.39 -0.55 2.42 6.46 -1.88 -0.71 115.31 119.94 1itw h LEU 44 Ca -0.44 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.27 1itw h LEU 44 Cb 1.25 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.09 1itw h LEU 44 CO 0.48 0.28 0.11 0.00 -0.62 0.00 0.00 178.44 178.68 1itw h ALA 45 N 1.20 0.73 -0.66 1.25 0.00 -1.92 -2.31 119.26 117.54 1itw h ALA 45 Ca 0.17 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1itw h ALA 45 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1itw h ALA 45 CO -0.09 0.46 0.13 0.78 0.00 0.00 0.00 179.25 180.52 1itw h GLY 46 N 0.79 1.16 1.81 0.00 0.00 -1.79 -1.40 103.07 103.64 1itw h GLY 46 Ca 0.17 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 1itw h GLY 46 CO 0.01 0.69 -0.33 3.21 0.00 0.00 0.00 176.54 180.11 1itw h ARG 47 N 1.02 0.22 -0.10 4.80 3.08 -1.03 -1.18 114.38 121.19 1itw h ARG 47 Ca 0.21 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1itw h ARG 47 Cb 0.40 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1itw h ARG 47 CO 0.01 0.54 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.31 1itw h LEU 48 N 0.20 0.24 -0.52 3.04 3.38 -1.06 -2.78 115.31 117.81 1itw h LEU 48 Ca 0.02 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1itw h LEU 48 Cb 0.69 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1itw h LEU 48 CO 0.05 0.63 0.33 0.40 0.09 0.00 0.00 178.44 179.95 1itw h ILE 49 N -0.15 1.11 0.00 1.22 2.04 -1.11 -2.23 117.51 118.39 1itw h ILE 49 Ca 0.02 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1itw h ILE 49 Cb 0.55 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1itw h ILE 49 CO 0.02 0.12 -0.05 0.00 0.00 0.00 0.00 178.15 178.24 1itw h ALA 50 N 1.20 1.17 0.00 1.87 0.00 -1.22 -3.00 119.26 119.29 1itw h ALA 50 Ca 0.20 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1itw h ALA 50 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1itw h ALA 50 CO -0.06 0.07 -0.77 1.15 0.00 0.00 0.00 179.25 179.63 1itw h THR 51 N 0.00 0.71 -2.25 0.00 2.02 -1.11 -3.40 112.91 108.88 1itw h THR 51 Ca -0.00 -2.08 -0.57 0.00 0.77 0.00 0.00 66.41 64.53 1itw h THR 51 Cb 0.25 2.26 -0.42 0.00 -1.74 0.00 0.00 68.15 68.50 1itw h THR 51 CO 0.01 0.40 -0.72 0.49 0.37 0.00 0.00 175.52 176.07 1itw n PHE 52 N -3.10 3.53 -0.25 3.16 3.01 -1.13 -4.90 117.46 117.77 1itw n PHE 52 Ca -0.01 -3.97 0.07 0.00 1.01 0.00 0.00 57.45 54.54 1itw n PHE 52 Cb 0.75 -0.48 0.32 0.00 -0.01 0.00 0.00 39.48 40.06 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 2.98 0.81 0.00 -1.08 0.11 -1.77 -2.47 132.00 130.58 1itw h PRO 53 Ca 0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1itw h PRO 53 Cb 0.57 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1itw h PRO 53 CO 0.78 0.54 0.00 1.05 -0.21 0.00 0.00 178.00 180.15 1itw h GLU 54 N 0.83 0.00 -0.32 1.05 9.09 -1.94 -0.97 114.58 122.32 1itw h GLU 54 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 1itw h GLU 54 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1itw h GLU 54 CO -0.14 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.58 1itw n TYR 55 N -2.63 0.41 -4.43 2.06 4.02 -0.93 -4.98 117.16 110.69 1itw n TYR 55 Ca -0.01 -0.20 -0.24 0.00 -0.01 0.00 0.00 57.90 57.44 1itw n TYR 55 Cb 0.11 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 -1.54 2.75 0.66 7.72 1.43 -0.37 -3.99 118.68 125.34 1itw s LEU 56 Ca 0.37 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 1itw s LEU 56 Cb 0.22 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 1itw s LEU 56 CO 0.31 0.02 1.06 0.42 0.23 0.00 0.00 176.35 178.38 1itw s THR 57 N -2.47 4.20 0.42 5.49 -4.23 -1.26 -4.90 115.64 112.89 1itw s THR 57 Ca 0.31 0.71 0.13 0.00 -1.18 0.00 0.00 61.69 61.66 1itw s THR 57 Cb -0.05 -3.69 0.33 0.00 1.34 0.00 0.00 72.50 70.44 1itw s THR 57 CO 0.16 -0.93 1.95 0.44 -0.54 0.00 0.00 174.62 175.70 1itw h ASP 58 N -0.48 0.44 0.74 3.99 3.32 -1.97 -1.85 116.42 120.62 1itw h ASP 58 Ca -0.44 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.45 1itw h ASP 58 Cb 1.22 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1itw h ASP 58 CO 0.62 0.25 -0.80 0.74 -1.72 0.00 0.00 179.24 178.33 1itw h THR 59 N 0.48 1.55 0.00 0.35 2.02 -2.02 -3.22 112.91 112.06 1itw h THR 59 Ca 0.33 -2.68 -0.06 0.00 0.77 0.00 0.00 66.41 64.77 1itw h THR 59 Cb 0.63 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1itw h THR 59 CO -0.11 0.77 -0.29 1.56 0.37 0.00 0.00 175.52 177.82 1itw h GLN 60 N 0.03 0.00 -7.01 6.66 4.20 -1.71 -3.45 115.11 113.82 1itw h GLN 60 Ca -0.02 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.17 1itw h GLN 60 Cb 1.41 0.00 0.10 0.00 0.30 0.00 0.00 27.48 29.29 1itw h GLN 60 CO 0.11 0.29 0.57 0.15 -0.67 0.00 0.00 178.83 179.28 1itw s LYS 61 N -3.29 3.56 0.06 1.46 1.02 -1.04 -4.96 119.74 116.56 1itw s LYS 61 Ca 0.03 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.08 1itw s LYS 61 Cb 0.08 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1itw s LYS 61 CO 0.68 -0.79 -0.05 0.96 -0.92 0.00 0.00 175.35 175.23 1itw s ILE 62 N -1.38 0.40 0.57 2.17 -4.36 -1.26 -5.05 121.20 112.28 1itw s ILE 62 Ca 0.65 -1.75 -0.19 0.00 -0.26 0.00 0.00 60.65 59.10 1itw s ILE 62 Cb -0.36 -1.44 -0.05 0.00 1.25 0.00 0.00 42.46 41.86 1itw s ILE 62 CO 0.43 -0.89 1.15 -0.94 0.24 0.00 0.00 174.94 174.93 1itw s SER 63 N -2.79 5.54 -1.16 4.36 1.04 -1.26 -4.57 113.70 114.84 1itw s SER 63 Ca 0.06 2.22 -0.20 0.00 0.48 0.00 0.00 55.95 58.51 1itw s SER 63 Cb 0.05 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.65 1itw s SER 63 CO -0.07 -1.35 1.58 -0.62 0.98 0.00 0.00 173.24 173.76 1itw s ASP 64 N -1.79 6.70 0.43 7.02 -1.08 -1.26 -4.83 116.67 121.86 1itw s ASP 64 Ca 0.73 -2.04 0.16 0.00 -0.52 0.00 0.00 52.55 50.89 1itw s ASP 64 Cb -0.25 -2.56 0.97 0.00 -1.46 0.00 0.00 42.92 39.62 1itw s ASP 64 CO 0.30 -1.29 1.94 0.44 0.52 0.00 0.00 175.17 177.07 1itw h ASP 65 N 8.54 0.00 -0.28 -0.34 3.32 -1.91 -2.58 116.42 123.16 1itw h ASP 65 Ca 0.33 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 1itw h ASP 65 Cb 0.94 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1itw h ASP 65 CO 1.42 0.25 0.06 0.25 -1.72 0.00 0.00 179.24 179.50 1itw h LEU 66 N 0.00 0.44 -0.63 1.55 7.12 -1.88 0.97 115.31 122.87 1itw h LEU 66 Ca -0.00 -0.25 -0.02 0.00 0.13 0.00 0.00 57.88 57.74 1itw h LEU 66 Cb 0.47 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.45 1itw h LEU 66 CO 0.03 0.57 0.33 0.00 -0.13 0.00 0.00 178.44 179.24 1itw h ALA 67 N 0.88 0.81 -0.79 1.25 0.00 -1.94 -1.26 119.26 118.21 1itw h ALA 67 Ca 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1itw h ALA 67 Cb 0.31 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1itw h ALA 67 CO 0.00 0.35 0.52 1.49 0.00 0.00 0.00 179.25 181.61 1itw h GLU 68 N 0.86 1.02 -0.38 0.00 4.81 -1.20 -1.63 114.58 118.06 1itw h GLU 68 Ca 0.22 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1itw h GLU 68 Cb 0.08 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1itw h GLU 68 CO -0.03 0.67 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.81 1itw h LEU 69 N 1.05 0.59 -0.41 1.64 3.38 -0.27 -0.97 115.31 120.31 1itw h LEU 69 Ca 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1itw h LEU 69 Cb -0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1itw h LEU 69 CO -0.08 0.69 0.26 1.23 0.09 0.00 0.00 178.44 180.64 1itw h GLY 70 N 0.92 0.59 0.93 0.83 0.00 -0.31 0.12 103.07 106.16 1itw h GLY 70 Ca 0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1itw h GLY 70 CO 0.02 0.23 -0.12 0.50 0.00 0.00 0.00 176.54 177.17 1itw h LYS 71 N 0.55 0.66 -0.94 4.80 1.79 -1.17 -2.81 116.57 119.46 1itw h LYS 71 Ca 0.15 -0.27 0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1itw h LYS 71 Cb -0.03 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.53 1itw h LYS 71 CO -0.03 0.86 0.61 1.25 -1.08 0.00 0.00 179.45 181.05 1itw h LEU 72 N 0.44 0.94 -1.15 2.94 6.46 -0.91 -1.14 115.31 122.89 1itw h LEU 72 Ca 0.08 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1itw h LEU 72 Cb 0.64 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1itw h LEU 72 CO 0.04 0.60 0.00 0.00 -0.62 0.00 0.00 178.44 178.46 1itw n ALA 73 N -2.39 1.14 -0.43 1.25 0.00 0.40 -1.30 120.51 119.19 1itw n ALA 73 Ca 0.14 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.85 1itw n ALA 73 Cb 0.20 -1.29 0.32 0.00 0.00 0.00 0.00 19.45 18.68 1itw n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1itw n THR 74 N -2.16 1.24 -4.29 0.00 -2.24 -0.43 -4.60 114.28 101.80 1itw n THR 74 Ca -0.01 -1.07 -0.30 0.00 -2.27 0.00 0.00 64.05 60.41 1itw n THR 74 Cb 0.06 0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 68.58 1itw n THR 74 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1itw s THR 75 N -1.25 3.17 0.45 4.28 -4.23 -0.42 -4.78 115.64 112.87 1itw s THR 75 Ca 0.47 -1.32 0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1itw s THR 75 Cb 0.26 -2.46 0.28 0.00 1.34 0.00 0.00 72.50 71.92 1itw s THR 75 CO 0.29 0.13 2.08 -0.65 -0.54 0.00 0.00 174.62 175.93 1itw h PRO 76 N 3.75 0.33 0.00 3.99 0.11 -1.84 -2.71 132.00 135.63 1itw h PRO 76 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1itw h PRO 76 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1itw h PRO 76 CO 0.50 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 1itw n ASP 77 N -4.49 0.00 -4.67 -2.05 3.85 -1.26 -3.48 116.55 104.44 1itw n ASP 77 Ca 0.02 -0.17 -0.46 0.00 -0.71 0.00 0.00 54.79 53.47 1itw n ASP 77 Cb 0.13 -0.26 -0.04 0.00 -1.35 0.00 0.00 41.12 39.59 1itw n ASP 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1itw n ALA 78 N -1.26 1.31 -3.34 2.12 0.00 -1.02 -4.83 120.51 113.48 1itw n ALA 78 Ca 0.14 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 1itw n ALA 78 Cb 0.21 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.25 1itw n ALA 78 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1itw s ASN 79 N 0.82 0.87 -0.08 0.00 3.84 -1.23 -0.20 114.94 118.96 1itw s ASN 79 Ca 0.77 -0.77 0.05 0.00 0.21 0.00 0.00 52.86 53.12 1itw s ASN 79 Cb -0.68 0.84 -0.01 0.00 -0.55 0.00 0.00 41.25 40.85 1itw s ASN 79 CO 0.40 -0.34 -0.23 -0.63 -2.79 0.00 0.00 177.10 173.51 1itw s ILE 80 N 2.22 2.23 -0.32 -5.21 1.01 0.30 -0.55 121.20 120.88 1itw s ILE 80 Ca 0.11 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1itw s ILE 80 Cb -0.13 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1itw s ILE 80 CO -0.24 0.56 0.11 -0.63 0.00 0.00 0.00 174.94 174.74 1itw s ILE 81 N -0.00 4.00 -0.29 2.92 1.01 0.66 0.37 121.20 129.87 1itw s ILE 81 Ca -0.08 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1itw s ILE 81 Cb -0.15 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 1itw s ILE 81 CO 0.05 -0.06 0.12 -0.75 0.00 0.00 0.00 174.94 174.30 1itw s LYS 82 N 1.47 3.42 0.29 2.79 2.47 0.11 -1.90 119.74 128.40 1itw s LYS 82 Ca 0.01 -0.65 -0.01 0.00 -1.56 0.00 0.00 55.97 53.76 1itw s LYS 82 Cb -0.18 -3.47 -0.04 0.00 -1.46 0.00 0.00 37.83 32.67 1itw s LYS 82 CO 0.03 -0.34 0.51 -0.51 0.16 0.00 0.00 175.35 175.20 1itw s LEU 83 N 1.61 4.08 0.46 5.43 1.02 -1.26 -0.87 118.68 129.15 1itw s LEU 83 Ca 0.05 0.50 -0.23 0.00 0.02 0.00 0.00 54.13 54.48 1itw s LEU 83 Cb -0.16 -3.33 -0.09 0.00 0.02 0.00 0.00 46.19 42.62 1itw s LEU 83 CO 0.05 -0.20 0.94 -2.65 0.02 0.00 0.00 176.35 174.51 1itw n PRO 84 N -1.28 1.17 -4.10 1.29 -0.02 -1.26 -4.93 135.00 125.87 1itw n PRO 84 Ca -0.04 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1itw n PRO 84 Cb 0.55 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.87 0.12 0.13 2.55 2.20 -1.26 -4.31 114.94 113.50 1itw s ASN 85 Ca 0.66 -1.16 -0.30 0.00 -0.94 0.00 0.00 52.86 51.12 1itw s ASN 85 Cb -0.53 0.41 -0.06 0.00 -2.00 0.00 0.00 41.25 39.07 1itw s ASN 85 CO 0.55 -0.88 1.02 -0.63 -2.94 0.00 0.00 177.10 174.22 1itw s ILE 86 N -4.07 4.25 -0.72 0.54 1.01 -1.26 -4.58 121.20 116.37 1itw s ILE 86 Ca 0.28 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 62.74 1itw s ILE 86 Cb 0.05 -4.20 0.19 0.00 0.01 0.00 0.00 42.46 38.51 1itw s ILE 86 CO 0.07 0.29 0.59 -0.44 0.00 0.00 0.00 174.94 175.44 1itw s SER 87 N 0.02 5.84 0.16 3.58 0.01 -1.26 -4.87 113.70 117.18 1itw s SER 87 Ca 0.48 -2.86 -0.34 0.00 1.31 0.00 0.00 55.95 54.54 1itw s SER 87 Cb -0.26 -1.99 -0.14 0.00 0.21 0.00 0.00 66.02 63.84 1itw s SER 87 CO 0.32 -0.43 1.48 0.00 0.41 0.00 0.00 173.24 175.02 1itw n ALA 88 N 3.57 0.80 -2.06 1.44 0.00 -1.23 -4.45 120.51 118.58 1itw n ALA 88 Ca 0.11 0.45 -0.22 0.00 0.00 0.00 0.00 53.44 53.78 1itw n ALA 88 Cb 0.41 -2.27 0.03 0.00 0.00 0.00 0.00 19.45 17.62 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 0.66 5.39 0.19 0.00 1.04 -1.26 -0.54 113.70 119.18 1itw s SER 89 Ca 0.77 0.13 -0.12 0.00 0.48 0.00 0.00 55.95 57.21 1itw s SER 89 Cb -0.73 -1.09 0.14 0.00 0.10 0.00 0.00 66.02 64.44 1itw s SER 89 CO 0.42 -1.07 1.82 0.58 0.98 0.00 0.00 173.24 175.98 1itw h VAL 90 N 0.09 1.06 -0.68 5.02 2.07 -1.99 0.08 116.25 121.90 1itw h VAL 90 Ca -0.43 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1itw h VAL 90 Cb 1.29 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1itw h VAL 90 CO 0.54 0.12 0.41 -0.65 0.02 0.00 0.00 177.57 178.01 1itw h PRO 91 N 0.68 0.75 -0.64 1.57 0.11 -1.99 0.40 132.00 132.88 1itw h PRO 91 Ca 0.24 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 1itw h PRO 91 Cb 0.04 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 1itw h PRO 91 CO -0.11 0.50 0.20 1.96 -0.21 0.00 0.00 178.00 180.34 1itw h GLN 92 N 0.77 1.00 -0.45 1.05 4.20 -1.81 -0.45 115.11 119.42 1itw h GLN 92 Ca 0.29 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1itw h GLN 92 Cb 0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1itw h GLN 92 CO -0.14 0.88 0.28 1.25 -0.67 0.00 0.00 178.83 180.42 1itw h LEU 93 N 0.93 0.54 -0.77 1.46 5.85 -0.31 -0.82 115.31 122.19 1itw h LEU 93 Ca 0.21 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1itw h LEU 93 Cb 0.29 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1itw h LEU 93 CO -0.01 0.42 -0.03 0.11 -0.34 0.00 0.00 178.44 178.60 1itw h LYS 94 N 0.60 0.90 -0.52 1.25 1.57 -0.69 -1.33 116.57 118.36 1itw h LYS 94 Ca 0.16 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1itw h LYS 94 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1itw h LYS 94 CO -0.03 0.91 -0.11 0.00 -0.57 0.00 0.00 179.45 179.65 1itw h ALA 95 N 1.13 0.82 -0.39 3.86 0.00 -0.76 -0.95 119.26 122.98 1itw h ALA 95 Ca 0.15 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1itw h ALA 95 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1itw h ALA 95 CO 0.03 0.66 -0.33 0.00 0.00 0.00 0.00 179.25 179.60 1itw h ALA 96 N 1.00 0.56 -0.22 0.00 0.00 -0.99 -1.64 119.26 117.96 1itw h ALA 96 Ca 0.14 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1itw h ALA 96 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1itw h ALA 96 CO 0.05 0.63 0.09 0.82 0.00 0.00 0.00 179.25 180.83 1itw h ILE 97 N 0.72 1.17 -0.39 0.00 2.04 -1.13 -1.94 117.51 117.99 1itw h ILE 97 Ca 0.07 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1itw h ILE 97 Cb 0.92 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1itw h ILE 97 CO 0.09 0.17 0.17 0.50 0.00 0.00 0.00 178.15 179.07 1itw h LYS 98 N 0.20 0.34 -0.53 2.37 3.64 -1.11 0.42 116.57 121.89 1itw h LYS 98 Ca 0.07 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1itw h LYS 98 Cb 0.18 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1itw h LYS 98 CO -0.01 0.22 0.32 1.49 -2.27 0.00 0.00 179.45 179.21 1itw h GLU 99 N 0.35 0.63 -0.65 1.90 4.81 -1.18 -0.29 114.58 120.14 1itw h GLU 99 Ca 0.17 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1itw h GLU 99 Cb 0.11 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1itw h GLU 99 CO -0.14 0.42 0.17 -0.07 -0.73 0.00 0.00 179.01 178.66 1itw h LEU 100 N 0.65 0.96 -0.44 1.64 3.38 -0.86 -1.88 115.31 118.76 1itw h LEU 100 Ca 0.21 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1itw h LEU 100 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1itw h LEU 100 CO -0.08 0.92 0.15 1.56 0.09 0.00 0.00 178.44 181.07 1itw h GLN 101 N 0.98 0.68 0.00 1.13 4.20 -0.31 -0.15 115.11 121.63 1itw h GLN 101 Ca 0.21 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1itw h GLN 101 Cb 0.32 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1itw h GLN 101 CO -0.00 0.65 -0.03 1.96 -0.67 0.00 0.00 178.83 180.74 1itw h GLN 102 N 0.57 0.00 -0.11 1.46 4.20 -0.74 0.13 115.11 120.63 1itw h GLN 102 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1itw h GLN 102 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1itw h GLN 102 CO -0.01 0.03 0.00 1.04 -0.67 0.00 0.00 178.83 179.22 1itw n GLN 103 N -4.16 1.50 0.00 1.46 6.02 -0.61 -4.90 117.38 116.69 1itw n GLN 103 Ca -0.03 -0.75 0.00 0.00 -0.01 0.00 0.00 57.00 56.21 1itw n GLN 103 Cb 0.11 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 1.03 0.30 3.61 1.08 0.00 0.03 -5.05 105.19 106.19 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 2.86 0.00 1.61 1.51 -0.17 -4.91 117.35 116.25 1itw s TYR 105 Ca 0.00 0.81 -0.04 0.00 -1.01 0.00 0.00 57.07 56.83 1itw s TYR 105 Cb 0.00 -4.27 -0.19 0.00 -0.11 0.00 0.00 41.96 37.39 1itw s TYR 105 CO 0.00 -1.22 2.87 1.63 -1.11 0.00 0.00 175.55 177.72 1itw n LYS 106 N 7.65 1.53 -2.28 -0.62 5.02 -1.26 -3.48 118.16 124.72 1itw n LYS 106 Ca 0.12 -0.70 -0.37 0.00 -2.02 0.00 0.00 58.31 55.34 1itw n LYS 106 Cb 0.48 -1.78 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 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 0.00 4.03 0.58 -0.35 1.43 -1.26 -4.87 118.68 118.24 1itw s LEU 107 Ca 0.47 2.29 -0.17 0.00 -1.03 0.00 0.00 54.13 55.69 1itw s LEU 107 Cb 0.22 -4.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 1itw s LEU 107 CO 0.00 -0.87 1.08 -2.16 0.23 0.00 0.00 176.35 174.63 1itw s PRO 108 N -2.67 3.28 0.72 1.29 0.04 -1.26 -4.96 135.00 131.44 1itw s PRO 108 Ca 0.63 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 1itw s PRO 108 Cb -0.28 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.27 1itw s PRO 108 CO 0.34 -0.86 1.09 -0.51 0.04 0.00 0.00 177.00 177.10 1itw s ASP 109 N -2.41 4.88 -0.36 6.66 1.01 -1.26 -4.97 116.67 120.22 1itw s ASP 109 Ca 0.67 1.86 -0.26 0.00 0.71 0.00 0.00 52.55 55.52 1itw s ASP 109 Cb -0.19 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.23 1itw s ASP 109 CO 0.33 -1.78 0.96 -0.47 0.21 0.00 0.00 175.17 174.42 1itw s TYR 110 N -2.71 3.10 -0.59 4.23 5.04 -1.26 -4.93 117.35 120.23 1itw s TYR 110 Ca 0.63 0.87 -0.23 0.00 -2.44 0.00 0.00 57.07 55.90 1itw s TYR 110 Cb -0.18 -3.65 0.05 0.00 0.35 0.00 0.00 41.96 38.53 1itw s TYR 110 CO 0.50 -0.81 0.93 -1.25 -1.34 0.00 0.00 175.55 173.58 1itw s PRO 111 N 3.51 3.23 0.22 4.97 0.04 -1.26 -4.90 135.00 140.82 1itw s PRO 111 Ca 0.40 -0.52 -0.06 0.00 0.04 0.00 0.00 61.00 60.86 1itw s PRO 111 Cb -0.12 -4.12 0.20 0.00 0.04 0.00 0.00 34.50 30.50 1itw s PRO 111 CO 0.18 -1.59 1.75 0.93 0.04 0.00 0.00 177.00 178.31 1itw h GLU 112 N 9.39 1.05 -2.61 4.56 5.08 -1.96 -3.33 114.58 126.75 1itw h GLU 112 Ca -0.27 -0.24 -0.60 0.00 -1.00 0.00 0.00 59.36 57.24 1itw h GLU 112 Cb 1.07 -0.14 -0.41 0.00 0.50 0.00 0.00 28.75 29.77 1itw h GLU 112 CO 1.11 0.93 -0.69 0.39 -1.00 0.00 0.00 179.01 179.75 1itw n GLU 113 N -4.24 1.69 -1.66 2.33 1.02 -1.26 -5.10 120.64 113.42 1itw n GLU 113 Ca 0.05 -4.23 -0.47 0.00 -0.02 0.00 0.00 57.16 52.49 1itw n GLU 113 Cb 0.25 -2.09 -0.04 0.00 -0.02 0.00 0.00 31.44 29.55 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 1.71 2.01 0.00 3.49 -0.02 -1.25 -4.90 135.00 136.03 1itw n PRO 114 Ca 0.25 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1itw n PRO 114 Cb 0.40 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 3.39 1.66 -4.34 -0.52 4.76 -1.26 -4.89 118.16 116.96 1itw n LYS 115 Ca 0.17 -0.27 -0.18 0.00 -2.87 0.00 0.00 58.31 55.17 1itw n LYS 115 Cb 0.27 -0.75 -0.10 0.00 -1.84 0.00 0.00 35.03 32.62 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 -0.31 1.21 0.18 -0.18 -4.23 -1.26 -5.05 115.64 106.00 1itw s THR 116 Ca 0.00 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.33 1itw s THR 116 Cb 0.00 -2.29 0.10 0.00 1.34 0.00 0.00 72.50 71.64 1itw s THR 116 CO 0.00 -0.38 1.78 0.44 -0.54 0.00 0.00 174.62 175.92 1itw h ASP 117 N 2.47 0.80 -0.31 3.99 3.45 -1.99 -0.55 116.42 124.29 1itw h ASP 117 Ca -0.38 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 56.96 1itw h ASP 117 Cb 1.22 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.77 1itw h ASP 117 CO 0.65 0.69 0.17 0.74 -1.57 0.00 0.00 179.24 179.91 1itw h THR 118 N 0.86 1.13 -0.63 0.35 2.02 -1.99 -0.39 112.91 114.27 1itw h THR 118 Ca 0.22 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1itw h THR 118 Cb 0.08 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1itw h THR 118 CO -0.03 0.13 0.36 -0.33 0.37 0.00 0.00 175.52 176.02 1itw h GLU 119 N 0.37 0.86 -0.42 6.66 5.08 -1.91 0.26 114.58 125.48 1itw h GLU 119 Ca 0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1itw h GLU 119 Cb 0.07 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1itw h GLU 119 CO -0.02 0.64 0.27 0.87 -1.00 0.00 0.00 179.01 179.77 1itw h LYS 120 N 0.85 0.56 -0.56 2.33 1.57 -0.80 0.18 116.57 120.70 1itw h LYS 120 Ca 0.22 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1itw h LYS 120 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1itw h LYS 120 CO -0.04 0.39 -0.03 0.22 -0.57 0.00 0.00 179.45 179.42 1itw h ASP 121 N 0.56 1.00 -0.33 0.86 1.82 -0.81 -2.05 116.42 117.47 1itw h ASP 121 Ca 0.15 -0.32 -0.03 0.00 -0.39 0.00 0.00 57.03 56.44 1itw h ASP 121 Cb -0.04 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.68 1itw h ASP 121 CO -0.03 1.07 0.08 0.58 -1.61 0.00 0.00 179.24 179.33 1itw h VAL 122 N 0.89 1.22 -0.88 2.25 2.07 -0.59 -1.66 116.25 119.55 1itw h VAL 122 Ca 0.16 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1itw h VAL 122 Cb 0.58 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1itw h VAL 122 CO 0.03 0.25 0.57 0.50 0.02 0.00 0.00 177.57 178.94 1itw h LYS 123 N 0.37 1.17 -0.35 1.57 3.64 -0.53 -0.50 116.57 121.93 1itw h LYS 123 Ca 0.10 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1itw h LYS 123 Cb 0.30 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1itw h LYS 123 CO 0.00 0.78 -0.22 0.00 -2.27 0.00 0.00 179.45 177.74 1itw h ALA 124 N 1.43 0.95 0.24 5.00 0.00 -1.16 0.31 119.26 126.03 1itw h ALA 124 Ca 0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1itw h ALA 124 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1itw h ALA 124 CO -0.07 0.61 -0.12 0.00 0.00 0.00 0.00 179.25 179.67 1itw h ARG 125 N 0.60 -0.31 -0.85 0.00 2.47 -0.55 -3.02 114.38 112.72 1itw h ARG 125 Ca 0.09 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1itw h ARG 125 Cb 0.70 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 1itw h ARG 125 CO 0.05 -0.09 0.50 1.88 0.56 0.00 0.00 179.97 182.87 1itw h TYR 126 N -0.50 1.14 0.00 3.04 0.99 -0.95 -2.35 116.97 118.33 1itw h TYR 126 Ca -0.03 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1itw h TYR 126 Cb 0.37 -0.37 0.00 0.00 1.00 0.00 0.00 36.73 37.73 1itw h TYR 126 CO -0.01 0.77 0.00 -0.44 -0.00 0.00 0.00 178.16 178.47 1itw h ASP 127 N 1.18 0.00 1.52 3.88 3.32 -0.28 0.12 116.42 126.15 1itw h ASP 127 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1itw h ASP 127 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1itw h ASP 127 CO -0.05 0.00 -0.30 0.11 -1.72 0.00 0.00 179.24 177.28 1itw h LYS 128 N 0.00 0.00 0.05 3.56 1.57 -1.30 -3.33 116.57 117.12 1itw h LYS 128 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1itw h LYS 128 Cb 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1itw h LYS 128 CO 0.00 0.00 -1.92 -0.89 -0.57 0.00 0.00 179.45 176.07 1itw n ILE 129 N -2.69 1.66 -1.67 1.86 2.08 0.33 -4.81 119.36 116.12 1itw n ILE 129 Ca 0.03 -0.73 -0.29 0.00 0.56 0.00 0.00 62.75 62.32 1itw n ILE 129 Cb 0.50 -1.30 0.14 0.00 -0.75 0.00 0.00 39.64 38.23 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 -2.57 1.11 1.96 0.38 -2.85 -0.76 -4.66 119.74 112.36 1itw s LYS 130 Ca -0.14 0.09 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 1itw s LYS 130 Cb 0.07 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.99 1itw s LYS 130 CO 0.79 -2.18 0.00 0.41 0.10 0.00 0.00 175.35 174.47 1itw n GLY 131 N -2.70 -1.03 3.58 0.59 0.00 0.30 -4.31 105.19 101.62 1itw n GLY 131 Ca 0.09 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1itw n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1itw s SER 132 N -4.00 6.81 0.06 1.61 0.15 -1.26 -3.52 113.70 113.55 1itw s SER 132 Ca 0.00 -2.43 0.22 0.00 0.70 0.00 0.00 55.95 54.45 1itw s SER 132 Cb 0.00 -2.58 -0.20 0.00 -1.71 0.00 0.00 66.02 61.53 1itw s SER 132 CO 0.00 -1.20 0.70 0.00 1.20 0.00 0.00 173.24 173.95 1itw n ALA 133 N 8.47 2.70 -0.08 5.45 0.00 -1.26 -4.60 120.51 131.19 1itw n ALA 133 Ca 0.49 -0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 1itw n ALA 133 Cb 0.46 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 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 1.26 -0.79 0.00 2.07 -1.92 -3.39 116.25 113.48 1itw h VAL 134 Ca 0.00 -2.15 0.10 0.00 0.82 0.00 0.00 66.70 65.47 1itw h VAL 134 Cb 1.00 2.59 -0.08 0.00 -1.52 0.00 0.00 31.29 33.28 1itw h VAL 134 CO 0.00 0.43 0.43 0.78 0.02 0.00 0.00 177.57 179.22 1itw h ASN 135 N -1.00 0.58 -0.17 0.57 2.35 -1.98 -1.83 115.58 114.09 1itw h ASN 135 Ca -0.15 0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1itw h ASN 135 Cb 1.06 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 1itw h ASN 135 CO -0.09 0.32 0.13 -0.65 -1.65 0.00 0.00 177.43 175.48 1itw h PRO 136 N 0.70 0.00 0.20 0.81 0.11 -1.81 -0.26 132.00 131.74 1itw h PRO 136 Ca 0.39 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.16 1itw h PRO 136 Cb 0.41 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.54 1itw h PRO 136 CO -0.27 0.00 -1.61 0.28 -0.21 0.00 0.00 178.00 176.19 1itw h VAL 137 N 0.00 1.11 0.02 3.15 2.07 -1.54 -3.38 116.25 117.68 1itw h VAL 137 Ca 0.08 -2.65 -0.24 0.00 0.82 0.00 0.00 66.70 64.72 1itw h VAL 137 Cb 0.34 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 1itw h VAL 137 CO -0.00 0.84 -1.18 -0.07 0.02 0.00 0.00 177.57 177.18 1itw h LEU 138 N 0.11 0.07 -6.09 2.57 3.38 -1.06 -3.41 115.31 110.87 1itw h LEU 138 Ca -0.29 -0.08 -0.67 0.00 0.09 0.00 0.00 57.88 56.93 1itw h LEU 138 Cb 2.11 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.83 1itw h LEU 138 CO 0.21 1.06 2.86 0.54 0.09 0.00 0.00 178.44 183.20 1itw n ARG 139 N -3.32 2.39 -1.48 1.13 1.74 -0.14 -4.63 116.66 112.34 1itw n ARG 139 Ca -0.05 -2.26 -0.35 0.00 -0.77 0.00 0.00 57.85 54.42 1itw n ARG 139 Cb 0.97 -3.10 0.06 0.00 -1.02 0.00 0.00 32.46 29.37 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 6.21 2.62 -3.84 5.56 -0.58 -1.26 -2.90 120.64 126.45 1itw n GLU 140 Ca 0.52 -3.18 -0.02 0.00 -0.42 0.00 0.00 57.16 54.07 1itw n GLU 140 Cb 0.38 -2.22 0.01 0.00 -0.57 0.00 0.00 31.44 29.03 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 -1.34 -0.06 0.61 0.62 0.00 -1.26 -2.05 107.32 103.84 1itw s GLY 141 Ca 0.58 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 45.31 1itw s GLY 141 CO -0.14 2.14 0.84 -1.31 0.00 0.00 0.00 173.10 174.63 1itw s ASN 142 N -3.32 4.88 -0.21 1.64 0.01 -1.25 -2.66 114.94 114.03 1itw s ASN 142 Ca 0.20 -0.60 -0.06 0.00 -0.71 0.00 0.00 52.86 51.69 1itw s ASN 142 Cb -0.01 0.05 -0.03 0.00 0.41 0.00 0.00 41.25 41.67 1itw s ASN 142 CO 0.03 -1.47 0.03 -0.55 -1.51 0.00 0.00 177.10 173.62 1itw s SER 143 N -4.65 5.05 -0.50 -1.22 0.15 0.16 -3.65 113.70 109.05 1itw s SER 143 Ca 0.63 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 57.11 1itw s SER 143 Cb -0.06 -1.88 0.13 0.00 -1.71 0.00 0.00 66.02 62.50 1itw s SER 143 CO 0.40 0.06 0.28 -0.62 1.20 0.00 0.00 173.24 174.56 1itw s ASP 144 N 1.06 5.08 -0.19 5.45 2.15 0.24 -0.43 116.67 130.04 1itw s ASP 144 Ca 0.03 -2.48 -0.01 0.00 0.43 0.00 0.00 52.55 50.52 1itw s ASP 144 Cb -0.14 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1itw s ASP 144 CO 0.02 -0.42 -0.12 -0.13 -0.17 0.00 0.00 175.17 174.35 1itw s ARG 145 N 0.48 3.23 0.01 4.34 0.52 -0.86 -0.74 118.95 125.93 1itw s ARG 145 Ca 0.13 -0.72 -0.28 0.00 -0.52 0.00 0.00 55.73 54.34 1itw s ARG 145 Cb -0.22 -2.76 0.09 0.00 0.52 0.00 0.00 34.95 32.58 1itw s ARG 145 CO -0.04 -0.11 0.77 -0.98 0.02 0.00 0.00 175.30 174.96 1itw s ARG 146 N 1.17 0.98 0.19 3.54 1.70 -0.83 -1.83 118.95 123.87 1itw s ARG 146 Ca 0.01 -0.15 -0.23 0.00 -0.47 0.00 0.00 55.73 54.89 1itw s ARG 146 Cb -0.14 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.61 1itw s ARG 146 CO -0.05 -0.39 0.77 0.00 -1.08 0.00 0.00 175.30 174.55 1itw s ALA 147 N -2.55 3.43 0.72 7.88 0.00 -1.26 -0.77 121.76 129.20 1itw s ALA 147 Ca -0.01 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 1itw s ALA 147 Cb -0.01 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.23 1itw s ALA 147 CO -0.04 0.30 1.15 -2.14 0.00 0.00 0.00 175.76 175.03 1itw s PRO 148 N -1.46 2.33 0.37 0.00 0.02 -1.26 -4.81 135.00 130.20 1itw s PRO 148 Ca 0.39 1.55 0.08 0.00 0.02 0.00 0.00 61.00 63.03 1itw s PRO 148 Cb -0.21 -1.88 0.81 0.00 0.02 0.00 0.00 34.50 33.25 1itw s PRO 148 CO 0.24 -1.64 1.93 1.25 -0.33 0.00 0.00 177.00 178.45 1itw h LEU 149 N -0.34 0.62 -1.02 -5.54 5.85 -1.99 -1.45 115.31 111.43 1itw h LEU 149 Ca -0.47 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1itw h LEU 149 Cb 1.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1itw h LEU 149 CO 0.51 0.37 0.32 0.77 -0.34 0.00 0.00 178.44 180.07 1itw h SER 150 N 0.68 0.93 -0.14 1.25 4.64 -1.99 -0.11 113.55 118.82 1itw h SER 150 Ca 0.36 -0.11 -0.22 0.00 -0.47 0.00 0.00 61.79 61.35 1itw h SER 150 Cb 0.47 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1itw h SER 150 CO -0.13 0.80 -0.77 0.58 -0.87 0.00 0.00 176.83 176.44 1itw h VAL 151 N 1.02 1.28 -0.25 0.95 2.07 -1.65 -2.32 116.25 117.35 1itw h VAL 151 Ca 0.24 -1.98 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 1itw h VAL 151 Cb 0.13 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1itw h VAL 151 CO -0.03 0.62 0.06 0.50 0.02 0.00 0.00 177.57 178.74 1itw h LYS 152 N 0.49 0.41 -0.56 1.57 1.63 -1.17 -1.90 116.57 117.03 1itw h LYS 152 Ca -0.06 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1itw h LYS 152 Cb 1.41 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.96 1itw h LYS 152 CO 0.16 0.51 0.36 -0.91 -3.45 0.00 0.00 179.45 176.13 1itw h ASN 153 N 0.24 0.65 -0.21 4.20 2.35 -1.05 -1.39 115.58 120.36 1itw h ASN 153 Ca 0.08 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1itw h ASN 153 Cb 0.29 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1itw h ASN 153 CO 0.00 0.47 -0.03 0.22 -1.65 0.00 0.00 177.43 176.44 1itw h TYR 154 N 0.76 0.45 -0.86 1.19 3.20 -1.12 -2.67 116.97 117.91 1itw h TYR 154 Ca 0.20 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1itw h TYR 154 Cb -0.08 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 1itw h TYR 154 CO 0.00 0.63 0.47 0.00 -1.64 0.00 0.00 178.16 177.62 1itw h ALA 155 N 0.76 1.20 -0.80 1.82 0.00 -0.98 0.20 119.26 121.46 1itw h ALA 155 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1itw h ALA 155 Cb 0.47 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1itw h ALA 155 CO 0.02 0.64 0.53 -0.09 0.00 0.00 0.00 179.25 180.35 1itw h ARG 156 N 1.21 1.04 0.00 0.00 2.43 -1.16 -1.48 114.38 116.42 1itw h ARG 156 Ca 0.30 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1itw h ARG 156 Cb 0.03 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1itw h ARG 156 CO -0.05 0.69 -0.96 1.63 -1.51 0.00 0.00 179.97 179.77 1itw n LYS 157 N -4.42 0.43 -3.25 0.20 5.02 -0.94 -4.40 118.16 110.80 1itw n LYS 157 Ca 0.09 0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 56.20 1itw n LYS 157 Cb 0.04 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 33.27 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 -2.30 1.37 -1.68 2.13 8.25 0.66 -5.10 115.22 118.55 1itw n HIS 158 Ca 0.01 -3.82 -0.45 0.00 -0.26 0.00 0.00 57.72 53.20 1itw n HIS 158 Cb 0.49 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 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 0.98 2.30 -2.05 -0.41 -0.02 -0.59 -4.57 135.00 130.64 1itw n PRO 159 Ca 0.25 0.83 -0.29 0.00 -2.02 0.00 0.00 63.50 62.28 1itw n PRO 159 Cb 0.49 -2.63 0.05 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.49 3.25 0.22 6.00 -3.43 -1.26 -5.02 115.29 116.55 1itw s HIS 160 Ca 0.80 0.88 -0.30 0.00 -0.80 0.00 0.00 55.06 55.64 1itw s HIS 160 Cb -0.64 -3.02 -0.08 0.00 -1.43 0.00 0.00 32.58 27.41 1itw s HIS 160 CO 0.39 -1.14 1.11 0.15 -2.00 0.00 0.00 174.74 173.25 1itw s LYS 161 N -5.27 4.60 -0.11 -0.38 1.02 -1.26 -4.93 119.74 113.41 1itw s LYS 161 Ca 0.57 1.77 0.02 0.00 0.02 0.00 0.00 55.97 58.35 1itw s LYS 161 Cb -0.11 -3.24 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1itw s LYS 161 CO 0.49 0.11 -0.14 -1.64 -0.92 0.00 0.00 175.35 173.25 1itw s MET 162 N -0.77 2.12 0.34 1.68 -1.94 -1.26 -5.03 119.30 114.44 1itw s MET 162 Ca 0.48 -0.52 -0.29 0.00 -1.71 0.00 0.00 55.69 53.65 1itw s MET 162 Cb -0.31 -1.83 -0.11 0.00 2.01 0.00 0.00 34.83 34.59 1itw s MET 162 CO 0.37 -0.08 1.55 0.20 -0.01 0.00 0.00 175.02 177.05 1itw s GLY 163 N 1.04 2.54 0.36 -0.03 0.00 -0.40 -4.94 107.32 105.89 1itw s GLY 163 Ca -0.06 1.59 -0.27 0.00 0.00 0.00 0.00 44.72 45.98 1itw s GLY 163 CO -0.02 2.42 1.25 0.00 0.00 0.00 0.00 173.10 176.75 1itw s ALA 164 N -0.59 3.34 -0.04 3.20 0.00 -1.26 -4.07 121.76 122.33 1itw s ALA 164 Ca 0.58 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1itw s ALA 164 Cb -0.48 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1itw s ALA 164 CO 0.56 -0.61 -0.01 -1.58 0.00 0.00 0.00 175.76 174.13 1itw s TRP 165 N -1.24 3.08 -0.09 0.00 0.52 -1.26 -4.44 118.94 115.51 1itw s TRP 165 Ca 0.52 0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.76 1itw s TRP 165 Cb -0.36 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.22 1itw s TRP 165 CO 0.47 0.45 -0.11 0.45 0.02 0.00 0.00 176.95 178.22 1itw s SER 166 N -1.23 4.24 0.53 2.95 0.15 -1.26 -4.78 113.70 114.30 1itw s SER 166 Ca 0.16 -0.20 0.21 0.00 0.70 0.00 0.00 55.95 56.83 1itw s SER 166 Cb -0.11 -1.29 1.44 0.00 -1.71 0.00 0.00 66.02 64.35 1itw s SER 166 CO 0.06 0.27 2.16 0.00 1.20 0.00 0.00 173.24 176.93 1itw h ALA 167 N 5.95 1.73 -0.35 5.45 0.00 -1.90 -1.03 119.26 129.11 1itw h ALA 167 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1itw h ALA 167 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1itw h ALA 167 CO 0.54 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 1itw n ASP 168 N -4.20 3.44 -4.67 0.00 3.85 -1.26 -4.92 116.55 108.80 1itw n ASP 168 Ca -0.03 -2.43 -0.41 0.00 -0.71 0.00 0.00 54.79 51.22 1itw n ASP 168 Cb 0.12 -0.54 0.02 0.00 -1.35 0.00 0.00 41.12 39.37 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 0.44 2.00 -0.91 -1.12 2.88 -0.39 -4.90 113.62 111.63 1itw n SER 169 Ca 0.16 1.06 0.12 0.00 -1.33 0.00 0.00 58.87 58.87 1itw n SER 169 Cb 0.71 -1.45 0.09 0.00 -0.75 0.00 0.00 64.21 62.81 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 -0.04 2.18 -2.28 -1.46 5.02 -1.26 -4.97 118.16 115.35 1itw n LYS 170 Ca 0.08 -1.83 -0.39 0.00 -2.02 0.00 0.00 58.31 54.15 1itw n LYS 170 Cb 0.40 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.98 6.61 0.06 4.39 0.01 -1.26 -4.71 113.70 116.81 1itw s SER 171 Ca 0.27 2.39 -0.28 0.00 1.31 0.00 0.00 55.95 59.64 1itw s SER 171 Cb 0.19 -2.62 0.09 0.00 0.21 0.00 0.00 66.02 63.89 1itw s SER 171 CO 0.31 -0.62 1.02 -1.38 0.41 0.00 0.00 173.24 172.98 1itw s HIS 172 N -1.35 -0.16 -0.08 2.43 -3.43 -0.84 -4.96 115.29 106.89 1itw s HIS 172 Ca 0.55 -0.05 -0.13 0.00 -0.80 0.00 0.00 55.06 54.63 1itw s HIS 172 Cb -0.32 0.59 -0.05 0.00 -1.43 0.00 0.00 32.58 31.37 1itw s HIS 172 CO 0.41 -0.62 0.31 0.08 -2.00 0.00 0.00 174.74 172.92 1itw s VAL 173 N -3.03 5.24 -0.20 -5.38 1.01 -1.26 -0.07 120.40 116.71 1itw s VAL 173 Ca 0.11 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 1itw s VAL 173 Cb -0.00 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1itw s VAL 173 CO -0.02 0.52 -0.13 0.00 0.00 0.00 0.00 175.10 175.46 1itw s ALA 174 N -0.49 2.53 0.22 5.51 0.00 0.25 -4.88 121.76 124.89 1itw s ALA 174 Ca 0.19 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 51.00 1itw s ALA 174 Cb -0.14 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1itw s ALA 174 CO 0.08 -0.38 -0.05 -3.38 0.00 0.00 0.00 175.76 172.03 1itw s HIS 175 N 1.36 1.61 0.80 0.00 -3.43 -1.26 -1.59 115.29 112.78 1itw s HIS 175 Ca 0.05 -0.81 -0.11 0.00 -0.80 0.00 0.00 55.06 53.39 1itw s HIS 175 Cb -0.14 -0.89 0.08 0.00 -1.43 0.00 0.00 32.58 30.20 1itw s HIS 175 CO -0.09 0.09 1.11 -1.64 -2.00 0.00 0.00 174.74 172.21 1itw s MET 176 N -3.79 1.95 0.00 -0.38 -1.94 0.50 -4.97 119.30 110.67 1itw s MET 176 Ca 0.26 1.29 0.11 0.00 -1.71 0.00 0.00 55.69 55.64 1itw s MET 176 Cb 0.04 -1.85 -0.11 0.00 2.01 0.00 0.00 34.83 34.92 1itw s MET 176 CO 0.08 -1.89 0.49 -0.25 -0.01 0.00 0.00 175.02 173.44 1itw n ASP 177 N -3.65 0.60 -3.62 3.03 8.00 -1.26 -4.70 116.55 114.95 1itw n ASP 177 Ca 0.10 -0.80 -0.03 0.00 0.71 0.00 0.00 54.79 54.77 1itw n ASP 177 Cb 0.53 0.95 -0.01 0.00 -0.02 0.00 0.00 41.12 42.56 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 -2.00 -0.17 -0.26 -2.24 4.22 -1.26 -5.00 114.94 108.24 1itw s ASN 178 Ca 0.05 -0.13 0.00 0.00 -2.14 0.00 0.00 52.86 50.64 1itw s ASN 178 Cb 0.08 0.28 0.00 0.00 1.28 0.00 0.00 41.25 42.89 1itw s ASN 178 CO 0.44 -0.48 0.00 0.61 -2.04 0.00 0.00 177.10 175.63 1itw n GLY 179 N -0.33 0.55 3.47 0.45 0.00 -1.26 -4.85 105.19 103.23 1itw n GLY 179 Ca -0.06 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 1itw n GLY 179 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1itw n ASP 180 N 0.23 2.21 -0.16 1.61 5.75 -1.26 -0.64 116.55 124.29 1itw n ASP 180 Ca -0.02 -2.53 -0.08 0.00 -0.01 0.00 0.00 54.79 52.15 1itw n ASP 180 Cb 0.17 -0.23 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 1itw n ASP 180 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 1itw h PHE 181 N 0.34 0.62 -0.25 2.11 0.05 -1.94 -2.96 116.94 114.92 1itw h PHE 181 Ca -0.27 -0.01 0.06 0.00 3.82 0.00 0.00 57.97 61.57 1itw h PHE 181 Cb 1.13 -0.20 -0.07 0.00 2.00 0.00 0.00 35.95 38.81 1itw h PHE 181 CO 0.00 0.45 -0.21 -0.92 -0.18 0.00 0.00 178.31 177.45 1itw h TYR 182 N 0.62 -0.54 0.00 -0.55 3.20 -1.95 -2.03 116.97 115.70 1itw h TYR 182 Ca 0.17 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1itw h TYR 182 Cb 0.02 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1itw h TYR 182 CO -0.03 -0.29 0.00 0.41 -1.64 0.00 0.00 178.16 176.62 1itw n GLY 183 N -1.36 -1.14 0.27 1.82 0.00 -1.17 -3.24 105.19 100.37 1itw n GLY 183 Ca -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.53 2.17 -4.73 1.61 3.41 -0.86 -4.95 113.62 108.73 1itw n SER 184 Ca 0.04 -1.80 -0.42 0.00 -0.26 0.00 0.00 58.87 56.43 1itw n SER 184 Cb 0.22 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.85 4.23 0.00 4.33 2.12 -0.82 -4.46 118.70 123.25 1itw s GLU 185 Ca 0.09 2.34 0.02 0.00 0.36 0.00 0.00 54.97 57.78 1itw s GLU 185 Cb 0.05 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 1itw s GLU 185 CO 0.07 -0.52 -0.06 0.15 -0.54 0.00 0.00 175.26 174.36 1itw s LYS 186 N 0.31 0.47 0.20 4.30 1.02 -0.34 -4.42 119.74 121.28 1itw s LYS 186 Ca 0.64 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.38 1itw s LYS 186 Cb -0.43 -0.43 -0.05 0.00 -0.52 0.00 0.00 37.83 36.40 1itw s LYS 186 CO 0.38 0.11 -0.02 0.00 -0.92 0.00 0.00 175.35 174.91 1itw s ALA 187 N -0.31 1.65 -0.08 5.17 0.00 -1.26 -0.83 121.76 126.09 1itw s ALA 187 Ca 0.01 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 1itw s ALA 187 Cb -0.03 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.56 1itw s ALA 187 CO -0.00 -0.25 0.30 0.00 0.00 0.00 0.00 175.76 175.82 1itw s ALA 188 N -3.47 -0.75 -0.32 0.00 0.00 0.12 -4.98 121.76 112.36 1itw s ALA 188 Ca 0.26 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1itw s ALA 188 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1itw s ALA 188 CO 0.06 -0.18 0.19 -1.17 0.00 0.00 0.00 175.76 174.66 1itw s LEU 189 N -0.32 4.23 0.07 0.00 2.96 -1.26 -1.79 118.68 122.57 1itw s LEU 189 Ca -0.04 -0.41 -0.31 0.00 -0.22 0.00 0.00 54.13 53.15 1itw s LEU 189 Cb -0.03 -2.06 -0.08 0.00 0.50 0.00 0.00 46.19 44.51 1itw s LEU 189 CO 0.02 -0.19 1.63 -0.63 -1.32 0.00 0.00 176.35 175.86 1itw s ILE 190 N 1.67 3.08 -0.07 6.68 -1.09 0.16 -4.93 121.20 126.69 1itw s ILE 190 Ca 0.06 0.54 -0.19 0.00 -2.23 0.00 0.00 60.65 58.82 1itw s ILE 190 Cb -0.17 -3.35 -0.15 0.00 -1.58 0.00 0.00 42.46 37.21 1itw s ILE 190 CO 0.08 -0.00 0.73 1.23 -1.23 0.00 0.00 174.94 175.75 1itw h GLY 191 N 8.48 -0.15 -2.65 6.18 0.00 -1.89 0.10 103.07 113.13 1itw h GLY 191 Ca -0.42 0.06 -0.35 0.00 0.00 0.00 0.00 47.33 46.61 1itw h GLY 191 CO 0.93 -0.06 -0.69 0.00 0.00 0.00 0.00 176.54 176.72 1itw s ALA 192 N -3.28 1.63 0.53 3.60 0.00 -1.26 -4.23 121.76 118.75 1itw s ALA 192 Ca -0.12 -1.61 -0.22 0.00 0.00 0.00 0.00 51.96 50.02 1itw s ALA 192 Cb -0.00 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.27 1itw s ALA 192 CO 0.45 -0.15 1.21 -2.30 0.00 0.00 0.00 175.76 174.97 1itw n PRO 193 N -0.29 1.47 0.00 0.00 -0.02 -1.26 -4.40 135.00 130.50 1itw n PRO 193 Ca -0.08 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1itw n PRO 193 Cb 0.62 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.95 -0.69 3.32 -1.23 0.00 -0.49 -4.96 105.19 102.10 1itw n GLY 194 Ca 0.11 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.26 0.23 1.61 1.04 -1.26 -0.66 113.70 110.40 1itw s SER 195 Ca 0.00 -0.19 0.11 0.00 0.48 0.00 0.00 55.95 56.35 1itw s SER 195 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 1itw s SER 195 CO 0.00 -0.78 -0.20 0.68 0.98 0.00 0.00 173.24 173.91 1itw s VAL 196 N -3.29 2.28 -0.07 5.02 -7.23 0.11 -2.37 120.40 114.86 1itw s VAL 196 Ca -0.00 -2.21 0.04 0.00 -1.81 0.00 0.00 61.98 57.99 1itw s VAL 196 Cb 0.01 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 1itw s VAL 196 CO -0.08 -0.32 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.45 1itw s LYS 197 N -3.18 2.69 -0.25 4.82 2.20 0.11 -1.81 119.74 124.33 1itw s LYS 197 Ca 0.25 -0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 55.04 1itw s LYS 197 Cb -0.06 -2.33 0.01 0.00 -1.51 0.00 0.00 37.83 33.94 1itw s LYS 197 CO 0.12 0.44 -0.02 0.42 -0.36 0.00 0.00 175.35 175.94 1itw s ILE 198 N -0.27 3.27 0.04 5.43 1.01 -0.55 -1.72 121.20 128.41 1itw s ILE 198 Ca 0.01 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1itw s ILE 198 Cb -0.13 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 1itw s ILE 198 CO 0.03 0.24 -0.09 -1.83 0.00 0.00 0.00 174.94 173.29 1itw s GLU 199 N 1.41 0.59 -0.25 2.79 -1.05 -0.67 -0.50 118.70 121.03 1itw s GLU 199 Ca 0.02 -0.71 -0.08 0.00 -0.15 0.00 0.00 54.97 54.05 1itw s GLU 199 Cb -0.16 -0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.06 1itw s GLU 199 CO -0.03 0.09 0.10 -1.17 0.95 0.00 0.00 175.26 175.21 1itw s LEU 200 N -1.38 3.66 -0.46 1.83 1.98 0.44 -0.66 118.68 124.08 1itw s LEU 200 Ca -0.06 -0.10 -0.14 0.00 -2.89 0.00 0.00 54.13 50.93 1itw s LEU 200 Cb -0.09 -1.98 0.08 0.00 0.66 0.00 0.00 46.19 44.86 1itw s LEU 200 CO 0.01 -0.00 0.37 -0.63 -1.89 0.00 0.00 176.35 174.21 1itw s ILE 201 N 1.43 5.01 1.06 6.68 -1.09 0.39 -1.07 121.20 133.61 1itw s ILE 201 Ca 0.06 -1.17 -0.13 0.00 -2.23 0.00 0.00 60.65 57.19 1itw s ILE 201 Cb -0.15 -4.02 0.22 0.00 -1.58 0.00 0.00 42.46 36.93 1itw s ILE 201 CO 0.05 -0.58 1.07 0.00 -1.23 0.00 0.00 174.94 174.25 1itw s ALA 202 N 1.59 0.45 0.39 9.38 0.00 -0.04 -1.77 121.76 131.77 1itw s ALA 202 Ca 0.04 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.73 1itw s ALA 202 Cb -0.24 -3.14 0.80 0.00 0.00 0.00 0.00 23.12 20.53 1itw s ALA 202 CO 0.05 -3.20 2.02 0.87 0.00 0.00 0.00 175.76 175.50 1itw h LYS 203 N -2.16 0.54 -0.60 0.00 1.79 -1.85 -0.55 116.57 113.74 1itw h LYS 203 Ca -0.57 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 1itw h LYS 203 Cb 1.34 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1itw h LYS 203 CO 0.56 0.41 0.00 -0.40 -1.08 0.00 0.00 179.45 178.93 1itw n ASP 204 N -4.43 0.60 0.00 0.86 5.68 -1.26 -4.83 116.55 113.18 1itw n ASP 204 Ca 0.03 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1itw n ASP 204 Cb 0.10 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 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 0.19 2.10 3.71 6.12 0.00 -0.21 -4.98 105.19 112.11 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 1.52 -4.17 1.61 2.88 -1.26 -4.66 113.62 109.54 1itw n SER 206 Ca 0.00 0.70 -0.31 0.00 -1.33 0.00 0.00 58.87 57.93 1itw n SER 206 Cb 0.00 -1.53 -0.17 0.00 -0.75 0.00 0.00 64.21 61.76 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 -1.76 2.87 -0.21 -3.46 0.15 -1.26 -0.86 113.70 109.17 1itw s SER 207 Ca 0.78 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.92 1itw s SER 207 Cb -0.33 -1.32 0.04 0.00 -1.71 0.00 0.00 66.02 62.69 1itw s SER 207 CO 0.46 0.11 -0.16 -0.89 1.20 0.00 0.00 173.24 173.96 1itw s THR 208 N 0.57 2.13 -0.09 6.45 2.01 -0.23 -4.96 115.64 121.52 1itw s THR 208 Ca -0.14 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 60.34 1itw s THR 208 Cb -0.17 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1itw s THR 208 CO 0.04 0.30 1.22 -0.69 -0.69 0.00 0.00 174.62 174.81 1itw s VAL 209 N 1.22 4.26 -0.10 3.82 1.01 -1.26 -0.42 120.40 128.92 1itw s VAL 209 Ca -0.01 1.57 -0.05 0.00 0.00 0.00 0.00 61.98 63.49 1itw s VAL 209 Cb -0.16 -4.01 -0.27 0.00 0.00 0.00 0.00 36.38 31.95 1itw s VAL 209 CO -0.09 -0.04 0.46 -0.07 0.00 0.00 0.00 175.10 175.35 1itw h LEU 210 N 8.67 0.40 -6.33 3.92 3.38 -1.14 -3.46 115.31 120.75 1itw h LEU 210 Ca -0.32 -0.84 -0.15 0.00 0.09 0.00 0.00 57.88 56.66 1itw h LEU 210 Cb 1.14 -0.13 -0.28 0.00 0.09 0.00 0.00 40.66 41.48 1itw h LEU 210 CO 0.91 1.75 -0.50 -0.75 0.09 0.00 0.00 178.44 179.94 1itw s LYS 211 N -2.57 0.41 0.23 1.13 2.20 -0.87 -5.02 119.74 115.25 1itw s LYS 211 Ca -0.19 0.32 -0.06 0.00 -0.36 0.00 0.00 55.97 55.68 1itw s LYS 211 Cb 0.07 -0.30 0.34 0.00 -1.51 0.00 0.00 37.83 36.43 1itw s LYS 211 CO 0.79 -0.88 1.80 0.00 -0.36 0.00 0.00 175.35 176.69 1itw h ALA 212 N 8.15 1.04 -3.16 3.13 0.00 -1.88 -1.46 119.26 125.09 1itw h ALA 212 Ca -0.13 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1itw h ALA 212 Cb 1.14 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.54 1itw h ALA 212 CO 0.26 0.03 -0.52 0.21 0.00 0.00 0.00 179.25 179.24 1itw s LYS 213 N -6.06 0.18 -0.18 0.00 2.20 -1.26 -4.26 119.74 110.36 1itw s LYS 213 Ca -0.13 0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.85 1itw s LYS 213 Cb 0.18 -0.07 0.06 0.00 -1.51 0.00 0.00 37.83 36.49 1itw s LYS 213 CO 0.77 -0.13 0.08 0.99 -0.36 0.00 0.00 175.35 176.70 1itw s THR 214 N 0.91 0.07 0.45 3.43 2.01 -0.75 -4.95 115.64 116.81 1itw s THR 214 Ca -0.07 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 1itw s THR 214 Cb -0.08 -0.70 -0.08 0.00 0.01 0.00 0.00 72.50 71.65 1itw s THR 214 CO -0.05 -0.28 1.31 -0.44 -0.69 0.00 0.00 174.62 174.47 1itw s SER 215 N 2.07 5.99 0.02 3.53 0.01 -1.26 -0.71 113.70 123.35 1itw s SER 215 Ca 0.01 2.66 0.02 0.00 1.31 0.00 0.00 55.95 59.96 1itw s SER 215 Cb -0.16 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.42 1itw s SER 215 CO -0.10 -1.07 -0.07 0.68 0.41 0.00 0.00 173.24 173.09 1itw s VAL 216 N -1.31 0.53 0.30 3.43 -7.23 0.17 -4.88 120.40 111.41 1itw s VAL 216 Ca 0.62 -0.76 0.07 0.00 -1.81 0.00 0.00 61.98 60.10 1itw s VAL 216 Cb -0.38 -0.54 -0.02 0.00 0.56 0.00 0.00 36.38 36.00 1itw s VAL 216 CO 0.48 -0.17 0.34 -1.10 -0.31 0.00 0.00 175.10 174.33 1itw s GLN 217 N -1.01 3.03 0.35 4.82 -0.21 -1.26 -1.40 119.66 123.98 1itw s GLN 217 Ca -0.05 -1.05 -0.28 0.00 0.02 0.00 0.00 55.36 53.99 1itw s GLN 217 Cb -0.07 -2.68 -0.11 0.00 1.00 0.00 0.00 33.01 31.16 1itw s GLN 217 CO 0.00 0.22 1.38 0.00 -2.12 0.00 0.00 175.29 174.77 1itw s ALA 218 N -2.17 3.52 0.00 6.09 0.00 -1.26 -1.93 121.76 126.02 1itw s ALA 218 Ca 0.39 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1itw s ALA 218 Cb -0.08 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1itw s ALA 218 CO 0.28 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1itw n GLY 219 N 0.65 0.72 3.79 0.00 0.00 0.36 -4.75 105.19 105.96 1itw n GLY 219 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.24 4.26 -0.19 1.61 2.12 -0.81 -4.08 118.70 121.37 1itw s GLU 220 Ca 0.00 1.36 -0.06 0.00 0.36 0.00 0.00 54.97 56.63 1itw s GLU 220 Cb 0.00 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.87 1itw s GLU 220 CO 0.00 -0.02 0.02 0.42 -0.54 0.00 0.00 175.26 175.13 1itw s ILE 221 N -1.80 4.22 0.03 -3.70 1.01 -0.07 -0.67 121.20 120.23 1itw s ILE 221 Ca 0.57 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 61.07 1itw s ILE 221 Cb -0.17 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1itw s ILE 221 CO 0.22 0.44 -0.22 0.27 0.00 0.00 0.00 174.94 175.65 1itw s ILE 222 N 0.73 1.80 -0.03 2.92 -4.36 -0.74 -0.95 121.20 120.58 1itw s ILE 222 Ca 0.01 -1.18 -0.07 0.00 -0.26 0.00 0.00 60.65 59.15 1itw s ILE 222 Cb -0.14 -1.54 0.01 0.00 1.25 0.00 0.00 42.46 42.04 1itw s ILE 222 CO 0.02 0.32 0.16 1.51 0.24 0.00 0.00 174.94 177.19 1itw s ASP 223 N -1.01 -0.07 0.22 4.36 1.47 -0.54 -0.70 116.67 120.38 1itw s ASP 223 Ca 0.09 0.05 0.11 0.00 1.18 0.00 0.00 52.55 53.98 1itw s ASP 223 Cb -0.09 0.28 -0.05 0.00 -0.34 0.00 0.00 42.92 42.72 1itw s ASP 223 CO 0.01 -0.24 -0.22 -0.94 0.68 0.00 0.00 175.17 174.46 1itw s SER 224 N -0.73 3.53 0.16 2.11 1.04 -0.01 -0.06 113.70 119.73 1itw s SER 224 Ca -0.08 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.22 1itw s SER 224 Cb -0.05 -0.29 0.06 0.00 0.10 0.00 0.00 66.02 65.84 1itw s SER 224 CO 0.01 0.10 0.71 -0.94 0.98 0.00 0.00 173.24 174.10 1itw s SER 225 N -2.91 -0.43 -0.05 7.02 1.04 -0.78 -1.20 113.70 116.40 1itw s SER 225 Ca 0.23 -0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.44 1itw s SER 225 Cb -0.07 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1itw s SER 225 CO 0.12 -0.99 0.14 0.54 0.98 0.00 0.00 173.24 174.02 1itw s VAL 226 N -3.63 -0.00 -0.39 5.02 0.11 -1.26 -1.67 120.40 118.57 1itw s VAL 226 Ca 0.05 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.96 1itw s VAL 226 Cb -0.02 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.64 1itw s VAL 226 CO -0.06 0.01 0.36 -0.32 -3.33 0.00 0.00 175.10 171.75 1itw s MET 227 N 0.16 3.20 0.02 1.54 1.75 -0.26 -3.41 119.30 122.30 1itw s MET 227 Ca -0.01 -0.75 -0.30 0.00 -1.25 0.00 0.00 55.69 53.38 1itw s MET 227 Cb -0.02 -3.92 -0.05 0.00 2.84 0.00 0.00 34.83 33.68 1itw s MET 227 CO -0.00 -0.71 1.31 0.45 -0.65 0.00 0.00 175.02 175.42 1itw s SER 228 N 1.75 6.94 0.13 1.11 0.15 0.19 -1.51 113.70 122.45 1itw s SER 228 Ca 0.09 2.07 -0.18 0.00 0.70 0.00 0.00 55.95 58.63 1itw s SER 228 Cb -0.18 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1itw s SER 228 CO 0.12 -0.62 1.75 0.50 1.20 0.00 0.00 173.24 176.19 1itw h LYS 229 N 7.35 0.40 -0.27 5.44 3.64 -1.89 -0.91 116.57 130.33 1itw h LYS 229 Ca -0.39 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1itw h LYS 229 Cb 1.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1itw h LYS 229 CO 0.87 0.31 0.10 -0.91 -2.27 0.00 0.00 179.45 177.55 1itw h ASN 230 N 0.37 0.39 -0.60 4.20 2.35 -1.92 -1.33 115.58 119.04 1itw h ASN 230 Ca 0.11 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1itw h ASN 230 Cb 0.02 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1itw h ASN 230 CO -0.02 0.46 0.39 0.00 -1.65 0.00 0.00 177.43 176.61 1itw h ALA 231 N 0.94 0.76 -0.64 -0.83 0.00 -1.86 0.02 119.26 117.66 1itw h ALA 231 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1itw h ALA 231 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1itw h ALA 231 CO -0.01 0.17 0.28 1.25 0.00 0.00 0.00 179.25 180.94 1itw h LEU 232 N 0.79 0.86 -0.13 0.00 5.85 -1.04 -0.56 115.31 121.07 1itw h LEU 232 Ca 0.23 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1itw h LEU 232 Cb -0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1itw h LEU 232 CO -0.06 0.77 0.04 -0.09 -0.34 0.00 0.00 178.44 178.76 1itw h ARG 233 N 0.89 0.20 -0.80 1.25 2.43 -0.74 -0.49 114.38 117.11 1itw h ARG 233 Ca 0.22 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1itw h ARG 233 Cb 0.16 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1itw h ARG 233 CO -0.02 0.34 0.53 -0.91 -1.51 0.00 0.00 179.97 178.40 1itw h ASN 234 N 0.02 0.92 -0.07 -3.80 -0.26 -0.87 -1.00 115.58 110.52 1itw h ASN 234 Ca 0.04 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1itw h ASN 234 Cb 0.22 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1itw h ASN 234 CO -0.00 0.66 0.00 0.15 -1.06 0.00 0.00 177.43 177.19 1itw h PHE 235 N 1.08 0.14 -0.40 1.19 3.04 -0.85 -2.30 116.94 118.83 1itw h PHE 235 Ca 0.30 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.24 1itw h PHE 235 Cb -0.12 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 1itw h PHE 235 CO -0.00 0.38 0.23 0.82 -2.02 0.00 0.00 178.31 177.72 1itw h ILE 236 N -0.15 1.04 -0.47 1.41 2.04 -0.71 -0.13 117.51 120.54 1itw h ILE 236 Ca 0.02 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1itw h ILE 236 Cb 0.32 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1itw h ILE 236 CO 0.00 0.09 0.24 0.00 0.00 0.00 0.00 178.15 178.48 1itw h ALA 237 N 1.18 0.59 -0.57 1.87 0.00 -1.18 0.90 119.26 122.05 1itw h ALA 237 Ca 0.16 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1itw h ALA 237 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1itw h ALA 237 CO -0.08 -0.11 0.14 0.00 0.00 0.00 0.00 179.25 179.21 1itw h ALA 238 N 1.25 0.76 -0.03 0.00 0.00 -0.97 -2.59 119.26 117.68 1itw h ALA 238 Ca 0.20 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1itw h ALA 238 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1itw h ALA 238 CO -0.14 0.46 -0.53 0.93 0.00 0.00 0.00 179.25 179.96 1itw h GLU 239 N 0.82 0.07 -0.48 0.00 4.39 -0.63 -1.99 114.58 116.76 1itw h GLU 239 Ca 0.18 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1itw h GLU 239 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1itw h GLU 239 CO 0.00 0.59 0.21 0.82 -1.16 0.00 0.00 179.01 179.47 1itw h ILE 240 N 0.06 1.20 -0.47 3.13 2.04 -0.58 -1.36 117.51 121.53 1itw h ILE 240 Ca -0.00 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.15 1itw h ILE 240 Cb 0.96 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1itw h ILE 240 CO 0.07 0.23 -0.14 -0.33 0.00 0.00 0.00 178.15 177.98 1itw h GLU 241 N 0.64 0.92 -0.37 2.37 4.39 -1.29 -2.44 114.58 118.81 1itw h GLU 241 Ca 0.16 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 1itw h GLU 241 Cb 0.16 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1itw h GLU 241 CO -0.02 1.02 0.13 0.22 -1.16 0.00 0.00 179.01 179.20 1itw h ASP 242 N 0.76 0.52 -0.99 1.42 -0.00 -1.22 -0.78 116.42 116.14 1itw h ASP 242 Ca 0.11 -0.19 0.01 0.00 -0.00 0.00 0.00 57.03 56.96 1itw h ASP 242 Cb 0.70 -0.14 -0.05 0.00 -0.00 0.00 0.00 39.33 39.85 1itw h ASP 242 CO 0.05 0.57 0.65 0.00 -0.00 0.00 0.00 179.24 180.51 1itw h ALA 243 N 0.97 1.28 -0.28 -0.78 0.00 -1.23 -0.24 119.26 118.99 1itw h ALA 243 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1itw h ALA 243 Cb 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1itw h ALA 243 CO -0.01 0.66 0.15 -0.22 0.00 0.00 0.00 179.25 179.83 1itw h LYS 244 N 1.35 0.39 -0.60 0.00 3.64 -1.05 -0.18 116.57 120.12 1itw h LYS 244 Ca 0.36 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1itw h LYS 244 Cb -0.15 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1itw h LYS 244 CO -0.08 0.36 0.12 0.87 -2.27 0.00 0.00 179.45 178.45 1itw h LYS 245 N 0.33 0.99 0.00 1.90 1.57 -0.59 -2.87 116.57 117.89 1itw h LYS 245 Ca 0.10 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1itw h LYS 245 Cb 0.09 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1itw h LYS 245 CO -0.01 0.92 0.00 1.96 -0.57 0.00 0.00 179.45 181.75 1itw h GLN 246 N 0.90 0.00 -3.44 3.15 7.50 -0.96 -3.48 115.11 118.77 1itw h GLN 246 Ca 0.19 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 59.16 1itw h GLN 246 Cb 0.40 0.00 0.07 0.00 0.05 0.00 0.00 27.48 28.00 1itw h GLN 246 CO 0.01 0.00 -0.34 0.41 -1.50 0.00 0.00 178.83 177.41 1itw n GLY 247 N 1.01 0.18 3.53 3.46 0.00 -0.13 -5.05 105.19 108.20 1itw n GLY 247 Ca 0.05 -0.22 -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 -3.16 2.33 0.14 1.61 -7.23 -0.92 -4.94 120.40 108.24 1itw s VAL 248 Ca 0.19 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 57.81 1itw s VAL 248 Cb -0.08 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 34.22 1itw s VAL 248 CO 0.35 -0.25 1.07 -0.76 -0.31 0.00 0.00 175.10 175.20 1itw s LEU 249 N -3.59 4.47 -0.26 1.32 1.43 -0.46 -4.44 118.68 117.16 1itw s LEU 249 Ca 0.32 2.00 -0.20 0.00 -1.03 0.00 0.00 54.13 55.22 1itw s LEU 249 Cb 0.00 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 1itw s LEU 249 CO 0.16 -0.21 0.63 -0.22 0.23 0.00 0.00 176.35 176.94 1itw s LEU 250 N -0.09 4.06 0.19 1.79 2.96 0.21 -0.16 118.68 127.65 1itw s LEU 250 Ca 0.50 0.69 0.08 0.00 -0.22 0.00 0.00 54.13 55.19 1itw s LEU 250 Cb -0.28 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 1itw s LEU 250 CO 0.33 -0.37 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.88 1itw s SER 251 N 1.48 2.70 -0.08 3.68 1.04 -0.67 -1.41 113.70 120.43 1itw s SER 251 Ca 0.26 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 55.78 1itw s SER 251 Cb -0.15 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.82 1itw s SER 251 CO 0.09 -0.08 -0.11 -0.69 0.98 0.00 0.00 173.24 173.42 1itw s VAL 252 N -2.42 1.10 -0.37 5.02 1.01 -1.26 -0.58 120.40 122.90 1itw s VAL 252 Ca 0.19 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1itw s VAL 252 Cb -0.04 -1.03 0.11 0.00 0.00 0.00 0.00 36.38 35.42 1itw s VAL 252 CO 0.07 0.35 0.09 -1.00 0.00 0.00 0.00 175.10 174.62 1itw s HIS 253 N 0.89 3.47 0.44 5.22 3.76 -0.62 -4.88 115.29 123.57 1itw s HIS 253 Ca -0.10 -2.92 0.01 0.00 -0.15 0.00 0.00 55.06 51.90 1itw s HIS 253 Cb -0.15 -2.79 -0.00 0.00 1.11 0.00 0.00 32.58 30.75 1itw s HIS 253 CO 0.01 -0.91 0.03 1.28 -0.85 0.00 0.00 174.74 174.30 1itw n LEU 254 N 4.12 0.00 -2.85 0.89 4.77 -1.26 -4.62 117.00 118.04 1itw n LEU 254 Ca 0.04 -2.89 -0.22 0.00 -0.03 0.00 0.00 56.01 52.90 1itw n LEU 254 Cb 0.40 0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.94 1itw n LEU 254 CO 0.23 -0.42 0.03 1.17 -1.33 0.00 0.00 177.39 177.07 1itw n LYS 255 N -1.08 2.47 -0.28 3.23 3.00 -1.26 -0.98 118.16 123.25 1itw n LYS 255 Ca -0.16 -4.21 0.05 0.00 -0.00 0.00 0.00 58.31 53.99 1itw n LYS 255 Cb 0.58 -1.98 0.20 0.00 0.00 0.00 0.00 35.03 33.83 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 2.89 1.19 -0.14 3.14 0.00 -1.82 -0.08 119.26 124.44 1itw h ALA 256 Ca 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1itw h ALA 256 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1itw h ALA 256 CO 0.71 -0.06 0.01 1.15 0.00 0.00 0.00 179.25 181.06 1itw h THR 257 N 0.63 1.23 0.00 0.00 2.02 -1.91 -3.20 112.91 111.68 1itw h THR 257 Ca 0.43 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1itw h THR 257 Cb 0.56 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1itw h THR 257 CO -0.33 0.22 -0.07 -0.03 0.37 0.00 0.00 175.52 175.67 1itw h MET 258 N -0.01 0.05 -3.20 6.66 -1.53 -1.96 -3.32 114.93 111.61 1itw h MET 258 Ca 0.04 -0.05 -0.71 0.00 -3.44 0.00 0.00 59.70 55.54 1itw h MET 258 Cb 0.32 0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.34 1itw h MET 258 CO 0.00 0.86 3.13 -1.33 0.14 0.00 0.00 176.91 179.71 1itw n MET 259 N -4.64 3.71 0.30 0.39 2.81 -0.05 -4.77 117.12 114.88 1itw n MET 259 Ca -0.10 -2.76 0.17 0.00 -1.81 0.00 0.00 57.70 53.20 1itw n MET 259 Cb 0.44 -2.89 0.89 0.00 -0.71 0.00 0.00 33.22 30.95 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 5.23 0.00 0.00 0.03 2.10 -1.65 -2.67 116.57 119.61 1itw h LYS 260 Ca 0.71 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 59.27 1itw h LYS 260 Cb 0.41 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1itw h LYS 260 CO 1.72 0.00 -1.25 0.28 -2.00 0.00 0.00 179.45 178.19 1itw n VAL 261 N -2.80 1.49 -0.05 0.07 0.31 -1.26 -4.58 118.33 111.51 1itw n VAL 261 Ca -0.02 0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 1itw n VAL 261 Cb 0.23 -2.24 -0.07 0.00 -0.91 0.00 0.00 33.84 30.84 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 -0.97 0.28 -0.41 4.52 4.64 -1.94 -3.28 113.55 116.38 1itw h SER 262 Ca -0.13 -0.42 -0.10 0.00 -0.47 0.00 0.00 61.79 60.68 1itw h SER 262 Cb 1.09 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 1itw h SER 262 CO -0.08 0.63 -0.11 0.44 -0.87 0.00 0.00 176.83 176.85 1itw h ASP 263 N -0.08 0.86 0.15 4.97 5.19 -1.78 -1.74 116.42 124.00 1itw h ASP 263 Ca 0.03 -0.27 -0.08 0.00 -0.62 0.00 0.00 57.03 56.09 1itw h ASP 263 Cb 0.53 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1itw h ASP 263 CO 0.02 0.99 -0.28 -0.65 -3.12 0.00 0.00 179.24 176.19 1itw h PRO 264 N 0.78 0.23 -0.30 3.56 0.11 -1.72 -0.45 132.00 134.21 1itw h PRO 264 Ca 0.13 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 1itw h PRO 264 Cb 0.62 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1itw h PRO 264 CO 0.04 0.50 -0.05 0.82 -0.21 0.00 0.00 178.00 179.10 1itw h ILE 265 N 0.20 1.28 -0.61 4.15 2.04 -1.54 -0.03 117.51 122.99 1itw h ILE 265 Ca 0.03 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1itw h ILE 265 Cb 0.61 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1itw h ILE 265 CO 0.04 0.34 0.19 0.24 0.00 0.00 0.00 178.15 178.96 1itw h MET 266 N 0.33 0.95 -0.74 2.37 2.86 -1.09 -1.19 114.93 118.42 1itw h MET 266 Ca 0.08 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1itw h MET 266 Cb 0.53 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 1itw h MET 266 CO 0.03 0.85 0.46 0.35 1.06 0.00 0.00 176.91 179.65 1itw h PHE 267 N 0.87 0.86 -0.62 -0.22 3.57 -0.93 -1.33 116.94 119.14 1itw h PHE 267 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1itw h PHE 267 Cb 0.29 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1itw h PHE 267 CO 0.02 0.47 0.25 0.78 -2.23 0.00 0.00 178.31 177.60 1itw h GLY 268 N 0.88 0.97 1.70 2.40 0.00 -0.35 -0.64 103.07 108.03 1itw h GLY 268 Ca 0.31 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1itw h GLY 268 CO -0.13 0.47 -0.45 1.46 0.00 0.00 0.00 176.54 177.89 1itw h GLN 269 N 0.89 0.33 -0.33 4.80 4.20 -0.31 0.84 115.11 125.53 1itw h GLN 269 Ca 0.21 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 1itw h GLN 269 Cb 0.18 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1itw h GLN 269 CO -0.02 0.72 -0.43 0.82 -0.67 0.00 0.00 178.83 179.25 1itw h ILE 270 N 0.27 1.28 -0.41 2.54 2.04 -0.76 -2.03 117.51 120.44 1itw h ILE 270 Ca 0.02 -1.62 -0.12 0.00 1.00 0.00 0.00 64.86 64.15 1itw h ILE 270 Cb 0.90 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1itw h ILE 270 CO 0.07 0.53 -0.21 0.58 0.00 0.00 0.00 178.15 179.13 1itw h VAL 271 N 0.68 1.28 -0.58 1.67 2.07 -0.92 -1.37 116.25 119.08 1itw h VAL 271 Ca 0.04 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.24 1itw h VAL 271 Cb 1.02 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1itw h VAL 271 CO 0.10 0.45 0.36 0.28 0.02 0.00 0.00 177.57 178.78 1itw h SER 272 N 0.67 0.59 -0.15 0.57 0.02 -0.71 -1.41 113.55 113.14 1itw h SER 272 Ca 0.09 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 1itw h SER 272 Cb 0.77 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.19 1itw h SER 272 CO 0.06 0.42 -0.58 -0.08 -1.14 0.00 0.00 176.83 175.51 1itw h GLU 273 N 0.71 0.65 -0.11 3.45 4.57 -1.32 -1.90 114.58 120.63 1itw h GLU 273 Ca 0.23 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1itw h GLU 273 Cb 0.00 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1itw h GLU 273 CO -0.09 1.13 0.07 0.35 -1.18 0.00 0.00 179.01 179.29 1itw h PHE 274 N 0.32 0.14 -0.67 0.92 3.57 -1.07 -2.93 116.94 117.22 1itw h PHE 274 Ca -0.03 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.33 1itw h PHE 274 Cb 1.21 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.82 1itw h PHE 274 CO 0.10 0.10 0.18 0.66 -2.23 0.00 0.00 178.31 177.11 1itw n TYR 275 N -5.01 2.28 -0.27 0.41 4.02 -0.55 -4.72 117.16 113.32 1itw n TYR 275 Ca -0.05 -1.00 0.05 0.00 -0.01 0.00 0.00 57.90 56.89 1itw n TYR 275 Cb 0.03 -0.62 0.15 0.00 -0.02 0.00 0.00 39.34 38.88 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 3.04 0.05 -0.18 -0.72 2.10 -1.14 0.05 116.57 119.77 1itw h LYS 276 Ca 0.17 -0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.86 1itw h LYS 276 Cb 2.18 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 33.45 1itw h LYS 276 CO 0.64 0.03 -0.09 -0.44 -2.00 0.00 0.00 179.45 177.59 1itw h ASP 277 N 0.05 -0.31 -0.18 7.07 3.32 -1.86 0.03 116.42 124.54 1itw h ASP 277 Ca 0.42 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.44 1itw h ASP 277 Cb 0.72 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1itw h ASP 277 CO -0.76 -0.12 -0.31 0.00 -1.72 0.00 0.00 179.24 176.33 1itw h ALA 278 N 1.08 0.28 -0.78 3.45 0.00 -1.66 -2.79 119.26 118.83 1itw h ALA 278 Ca 0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1itw h ALA 278 Cb 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1itw h ALA 278 CO -0.23 0.31 0.35 -0.07 0.00 0.00 0.00 179.25 179.60 1itw h LEU 279 N 0.18 1.04 -0.29 0.00 3.38 -0.89 -2.29 115.31 116.44 1itw h LEU 279 Ca 0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1itw h LEU 279 Cb 0.89 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1itw h LEU 279 CO 0.07 0.89 -0.01 0.74 0.09 0.00 0.00 178.44 180.22 1itw h THR 280 N 1.12 1.26 -0.96 0.22 2.02 -1.04 -2.07 112.91 113.46 1itw h THR 280 Ca 0.26 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1itw h THR 280 Cb 0.16 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1itw h THR 280 CO -0.03 0.31 0.60 0.50 0.37 0.00 0.00 175.52 177.27 1itw h LYS 281 N 0.30 1.29 -0.64 6.66 3.64 -1.28 -2.87 116.57 123.68 1itw h LYS 281 Ca 0.08 -0.10 -0.30 0.00 -1.27 0.00 0.00 60.65 59.06 1itw h LYS 281 Cb 0.45 -0.28 -0.18 0.00 -0.41 0.00 0.00 32.23 31.82 1itw h LYS 281 CO 0.02 0.88 0.25 0.72 -2.27 0.00 0.00 179.45 179.05 1itw n HIS 282 N -4.37 2.00 -0.11 1.91 8.25 -0.88 -4.75 115.22 117.27 1itw n HIS 282 Ca 0.11 -1.59 -0.06 0.00 -0.26 0.00 0.00 57.72 55.92 1itw n HIS 282 Cb 0.04 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.48 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 1.29 0.03 -0.17 -1.41 0.00 -1.14 -0.80 119.26 117.06 1itw h ALA 283 Ca 0.37 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1itw h ALA 283 Cb 2.19 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 20.48 1itw h ALA 283 CO 0.69 -0.60 0.10 0.93 0.00 0.00 0.00 179.25 180.38 1itw h GLU 284 N -0.16 0.22 -0.13 0.00 5.08 -1.86 -1.57 114.58 116.16 1itw h GLU 284 Ca 0.18 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1itw h GLU 284 Cb 0.45 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1itw h GLU 284 CO -0.47 0.17 -0.43 -0.24 -1.00 0.00 0.00 179.01 177.04 1itw h VAL 285 N 0.21 1.32 -0.51 3.13 3.04 -1.90 -2.15 116.25 119.37 1itw h VAL 285 Ca 0.06 -1.58 -0.07 0.00 -1.01 0.00 0.00 66.70 64.10 1itw h VAL 285 Cb 0.00 1.70 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 1itw h VAL 285 CO -0.01 0.48 0.02 -0.07 -1.01 0.00 0.00 177.57 176.97 1itw h LEU 286 N 0.24 0.82 -0.87 3.16 3.38 -0.93 -1.91 115.31 119.20 1itw h LEU 286 Ca 0.02 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1itw h LEU 286 Cb 0.86 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1itw h LEU 286 CO 0.07 0.87 -0.37 0.50 0.09 0.00 0.00 178.44 179.60 1itw h LYS 287 N 0.80 0.38 -0.53 1.13 1.63 -1.07 -0.97 116.57 117.93 1itw h LYS 287 Ca 0.16 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 59.68 1itw h LYS 287 Cb 0.45 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1itw h LYS 287 CO 0.02 0.70 -0.09 1.96 -3.45 0.00 0.00 179.45 178.59 1itw h GLN 288 N 0.32 0.99 -0.08 1.90 4.20 -0.71 -2.67 115.11 119.06 1itw h GLN 288 Ca 0.03 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1itw h GLN 288 Cb 0.80 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1itw h GLN 288 CO 0.06 1.02 0.00 0.44 -0.67 0.00 0.00 178.83 179.69 1itw n ILE 289 N -4.15 0.09 -2.62 2.54 -5.35 -0.78 -4.92 119.36 104.17 1itw n ILE 289 Ca 0.02 -0.20 -0.08 0.00 -0.27 0.00 0.00 62.75 62.22 1itw n ILE 289 Cb 0.39 0.11 0.02 0.00 -1.74 0.00 0.00 39.64 38.42 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 1.03 0.27 3.72 3.28 0.00 -1.01 -4.95 105.19 107.53 1itw n GLY 290 Ca 0.17 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.84 2.82 -0.43 1.61 5.99 -0.39 -4.97 117.98 119.77 1itw s PHE 291 Ca 0.13 0.30 0.01 0.00 0.00 0.00 0.00 56.93 57.38 1itw s PHE 291 Cb -0.06 -4.14 0.12 0.00 0.00 0.00 0.00 43.02 38.94 1itw s PHE 291 CO 0.17 -4.36 0.18 0.34 -0.00 0.00 0.00 175.22 171.54 1itw s ASP 292 N 1.37 4.87 0.64 6.13 2.15 -1.26 -4.89 116.67 125.68 1itw s ASP 292 Ca 0.75 -2.37 0.35 0.00 0.43 0.00 0.00 52.55 51.72 1itw s ASP 292 Cb -0.49 -1.71 1.94 0.00 -0.30 0.00 0.00 42.92 42.36 1itw s ASP 292 CO 0.32 -0.40 2.15 1.62 -0.17 0.00 0.00 175.17 178.70 1itw h VAL 293 N 6.18 0.16 0.00 1.11 3.04 -1.93 0.85 116.25 125.66 1itw h VAL 293 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1itw h VAL 293 Cb 1.00 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1itw h VAL 293 CO 0.62 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.77 1itw n ASN 294 N -3.27 0.00 -1.21 3.17 3.02 -1.26 -2.10 115.26 113.60 1itw n ASN 294 Ca -0.01 0.39 0.09 0.00 -0.03 0.00 0.00 54.58 55.01 1itw n ASN 294 Cb 0.24 -0.45 0.29 0.00 -0.61 0.00 0.00 39.78 39.25 1itw n ASN 294 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1itw n ASN 295 N -1.45 4.09 0.00 6.41 5.15 0.29 -4.69 115.26 125.06 1itw n ASN 295 Ca 0.06 -2.38 0.00 0.00 -0.60 0.00 0.00 54.58 51.66 1itw n ASN 295 Cb 0.21 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 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 0.77 -0.69 0.21 8.20 0.00 -0.89 -4.08 105.19 108.72 1itw n GLY 296 Ca 0.21 -1.67 0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.22 -1.73 117.51 120.03 1itw h ILE 297 Ca 0.00 -0.29 -0.04 0.00 -1.37 0.00 0.00 64.86 63.16 1itw h ILE 297 Cb 0.00 1.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.41 1itw h ILE 297 CO 0.00 0.00 -0.20 1.23 -3.07 0.00 0.00 178.15 176.11 1itw h GLY 298 N 1.70 0.00 1.68 8.18 0.00 -1.46 -1.93 103.07 111.25 1itw h GLY 298 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1itw h GLY 298 CO 0.00 0.00 -0.35 -1.80 0.00 0.00 0.00 176.54 174.39 1itw h ASP 299 N 0.00 0.38 0.14 0.19 1.82 -1.46 -2.37 116.42 115.12 1itw h ASP 299 Ca -0.00 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.48 1itw h ASP 299 Cb 0.48 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1itw h ASP 299 CO 0.03 0.71 -0.07 0.25 -1.61 0.00 0.00 179.24 178.55 1itw h LEU 300 N 0.31 -0.16 -1.73 2.28 6.46 -1.48 -1.71 115.31 119.29 1itw h LEU 300 Ca 0.04 -0.25 0.08 0.00 -0.12 0.00 0.00 57.88 57.63 1itw h LEU 300 Cb 0.77 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1itw h LEU 300 CO 0.06 0.17 0.33 1.88 -0.62 0.00 0.00 178.44 180.26 1itw h TYR 301 N -0.50 0.33 -0.01 1.25 -1.99 -1.44 0.68 116.97 115.29 1itw h TYR 301 Ca -0.02 0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.53 1itw h TYR 301 Cb 0.40 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1itw h TYR 301 CO 0.03 0.17 -0.84 0.00 -0.00 0.00 0.00 178.16 177.52 1itw h ALA 302 N 1.75 0.58 0.00 3.88 0.00 -1.29 -3.33 119.26 120.85 1itw h ALA 302 Ca 0.22 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 1itw h ALA 302 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1itw h ALA 302 CO -0.05 0.90 -1.22 0.00 0.00 0.00 0.00 179.25 178.89 1itw h ARG 303 N 0.10 0.00 0.00 0.00 3.08 -0.29 -3.34 114.38 113.92 1itw h ARG 303 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1itw h ARG 303 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1itw h ARG 303 CO 0.13 0.30 0.00 0.44 -1.07 0.00 0.00 179.97 179.76 1itw n ILE 304 N -2.93 0.56 0.91 2.04 -5.35 0.12 -3.09 119.36 111.63 1itw n ILE 304 Ca -0.07 0.04 0.03 0.00 -0.27 0.00 0.00 62.75 62.49 1itw n ILE 304 Cb 0.80 -0.78 0.20 0.00 -1.74 0.00 0.00 39.64 38.11 1itw n ILE 304 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1itw n LYS 305 N -1.83 0.46 -0.29 6.28 5.02 -1.25 -1.33 118.16 125.21 1itw n LYS 305 Ca 0.05 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.41 1itw n LYS 305 Cb 0.30 -1.23 0.20 0.00 -0.02 0.00 0.00 35.03 34.28 1itw n LYS 305 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1itw n THR 306 N -0.73 1.52 -4.30 -0.18 5.66 -1.18 -4.99 114.28 110.08 1itw n THR 306 Ca 0.05 -1.34 -0.25 0.00 -3.05 0.00 0.00 64.05 59.46 1itw n THR 306 Cb 0.02 0.20 -0.08 0.00 -1.55 0.00 0.00 70.33 68.92 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 -1.73 3.02 0.49 1.09 1.43 -0.44 -5.11 118.68 117.43 1itw s LEU 307 Ca 0.31 -1.02 -0.23 0.00 -1.03 0.00 0.00 54.13 52.16 1itw s LEU 307 Cb 0.21 -1.36 -0.07 0.00 0.03 0.00 0.00 46.19 45.00 1itw s LEU 307 CO 0.13 -0.32 1.28 -2.65 0.23 0.00 0.00 176.35 175.02 1itw n PRO 308 N -1.02 1.75 -0.32 1.29 -0.02 -1.26 -4.73 135.00 130.69 1itw n PRO 308 Ca -0.04 0.63 0.16 0.00 -2.02 0.00 0.00 63.50 62.24 1itw n PRO 308 Cb 0.63 -2.44 0.36 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.69 0.43 -0.66 -0.52 4.39 -1.98 0.90 114.58 118.82 1itw h GLU 309 Ca -0.49 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 1itw h GLU 309 Cb 1.30 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 1itw h GLU 309 CO 0.58 0.28 0.38 0.00 -1.16 0.00 0.00 179.01 179.10 1itw h ALA 310 N 1.74 0.84 -0.48 3.43 0.00 -2.00 -1.54 119.26 121.26 1itw h ALA 310 Ca 0.62 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.34 1itw h ALA 310 Cb 1.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1itw h ALA 310 CO -0.53 0.33 -0.09 -0.22 0.00 0.00 0.00 179.25 178.74 1itw h LYS 311 N 0.90 0.90 -0.62 0.00 1.63 -1.21 -1.92 116.57 116.25 1itw h LYS 311 Ca 0.23 -0.34 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1itw h LYS 311 Cb 0.00 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 1itw h LYS 311 CO -0.04 0.98 0.36 1.96 -3.45 0.00 0.00 179.45 179.27 1itw h GLN 312 N 0.75 0.85 -0.61 1.90 4.20 -1.07 -1.18 115.11 119.95 1itw h GLN 312 Ca 0.12 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1itw h GLN 312 Cb 0.64 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1itw h GLN 312 CO 0.04 0.62 0.33 -0.22 -0.67 0.00 0.00 178.83 178.93 1itw h LYS 313 N 0.84 0.86 -0.01 1.46 3.64 -1.15 -1.36 116.57 120.86 1itw h LYS 313 Ca 0.22 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1itw h LYS 313 Cb -0.00 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1itw h LYS 313 CO -0.04 0.66 0.00 1.49 -2.27 0.00 0.00 179.45 179.29 1itw h GLU 314 N 0.83 0.01 -0.19 1.90 4.81 -0.98 -0.97 114.58 119.99 1itw h GLU 314 Ca 0.22 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1itw h GLU 314 Cb 0.06 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1itw h GLU 314 CO -0.03 0.19 0.07 0.82 -0.73 0.00 0.00 179.01 179.32 1itw h ILE 315 N -0.16 0.95 -0.65 2.32 2.04 -1.13 -0.27 117.51 120.61 1itw h ILE 315 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1itw h ILE 315 Cb 0.18 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1itw h ILE 315 CO -0.00 0.03 0.41 -0.33 0.00 0.00 0.00 178.15 178.26 1itw h GLU 316 N 0.16 0.88 -0.48 2.37 5.08 -1.22 -1.16 114.58 120.20 1itw h GLU 316 Ca 0.08 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1itw h GLU 316 Cb 0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1itw h GLU 316 CO -0.09 0.60 0.30 0.00 -1.00 0.00 0.00 179.01 178.83 1itw h ALA 317 N 1.22 0.61 -0.11 3.43 0.00 -0.81 -0.94 119.26 122.66 1itw h ALA 317 Ca 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1itw h ALA 317 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1itw h ALA 317 CO -0.05 0.09 -0.05 -0.44 0.00 0.00 0.00 179.25 178.80 1itw h ASP 318 N 0.65 0.15 -0.12 0.00 3.32 -0.60 -0.71 116.42 119.10 1itw h ASP 318 Ca 0.17 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.03 1itw h ASP 318 Cb -0.03 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1itw h ASP 318 CO -0.03 0.23 -0.58 0.40 -1.72 0.00 0.00 179.24 177.53 1itw h ILE 319 N 0.16 1.30 -0.10 0.35 2.04 -0.40 -2.43 117.51 118.42 1itw h ILE 319 Ca 0.04 -1.80 -0.06 0.00 1.00 0.00 0.00 64.86 64.03 1itw h ILE 319 Cb 0.20 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1itw h ILE 319 CO 0.01 0.57 -0.21 1.56 0.00 0.00 0.00 178.15 180.08 1itw h GLN 320 N 0.55 0.17 -0.31 2.37 1.08 -0.21 -1.61 115.11 117.15 1itw h GLN 320 Ca 0.00 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 1itw h GLN 320 Cb 1.17 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1itw h GLN 320 CO 0.12 0.39 -0.11 0.00 -0.95 0.00 0.00 178.83 178.28 1itw h ALA 321 N 1.62 1.23 -0.20 3.87 0.00 -0.84 -2.21 119.26 122.73 1itw h ALA 321 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1itw h ALA 321 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1itw h ALA 321 CO 0.03 0.50 0.04 0.28 0.00 0.00 0.00 179.25 180.10 1itw h VAL 322 N 0.49 1.22 -0.67 0.00 2.07 -0.84 -2.82 116.25 115.70 1itw h VAL 322 Ca 0.09 -0.70 0.13 0.00 0.82 0.00 0.00 66.70 67.03 1itw h VAL 322 Cb 0.48 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1itw h VAL 322 CO 0.03 0.22 0.45 1.88 0.02 0.00 0.00 177.57 180.17 1itw h TYR 323 N 0.13 0.43 0.00 1.57 0.99 -0.95 -0.13 116.97 119.01 1itw h TYR 323 Ca 0.06 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.71 1itw h TYR 323 Cb 0.29 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.87 1itw h TYR 323 CO 0.02 0.18 -0.43 0.00 -0.00 0.00 0.00 178.16 177.93 1itw h ALA 324 N 1.67 1.06 0.00 3.88 0.00 -1.16 -3.19 119.26 121.53 1itw h ALA 324 Ca 0.32 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1itw h ALA 324 Cb 0.72 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1itw h ALA 324 CO -0.09 0.54 -1.46 1.04 0.00 0.00 0.00 179.25 179.28 1itw n GLN 325 N -3.71 0.63 -3.71 0.00 1.13 -0.26 -4.98 117.38 106.49 1itw n GLN 325 Ca -0.01 -0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.83 1itw n GLN 325 Cb 0.51 -1.69 -0.02 0.00 0.11 0.00 0.00 30.24 29.16 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 -3.42 3.16 0.96 -1.09 3.00 -0.23 -5.09 118.95 116.24 1itw s ARG 326 Ca -0.04 -0.97 -0.12 0.00 0.00 0.00 0.00 55.73 54.60 1itw s ARG 326 Cb 0.11 -2.78 0.16 0.00 0.00 0.00 0.00 34.95 32.45 1itw s ARG 326 CO 0.84 0.20 1.09 -1.25 0.00 0.00 0.00 175.30 176.19 1itw s PRO 327 N -4.07 0.75 0.31 3.54 0.04 -1.26 -4.88 135.00 129.43 1itw s PRO 327 Ca 0.40 0.94 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 1itw s PRO 327 Cb -0.09 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 1itw s PRO 327 CO 0.29 -2.62 1.05 -0.65 0.04 0.00 0.00 177.00 175.11 1itw s GLN 328 N -4.79 4.52 0.19 4.56 -0.21 -1.26 -4.87 119.66 117.79 1itw s GLN 328 Ca 0.65 1.63 -0.07 0.00 0.02 0.00 0.00 55.36 57.59 1itw s GLN 328 Cb -0.20 -2.97 -0.06 0.00 1.00 0.00 0.00 33.01 30.78 1itw s GLN 328 CO 0.59 0.15 0.46 -0.51 -2.12 0.00 0.00 175.29 173.86 1itw s LEU 329 N -1.83 4.21 0.57 2.90 1.43 -1.26 -0.62 118.68 124.08 1itw s LEU 329 Ca 0.49 0.75 -0.20 0.00 -1.03 0.00 0.00 54.13 54.14 1itw s LEU 329 Cb -0.27 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 1itw s LEU 329 CO 0.34 -0.01 1.21 0.00 0.23 0.00 0.00 176.35 178.12 1itw s ALA 330 N -1.74 2.63 -0.07 4.21 0.00 -0.50 -4.37 121.76 121.92 1itw s ALA 330 Ca 0.44 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.45 1itw s ALA 330 Cb -0.12 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1itw s ALA 330 CO 0.23 -1.10 -0.13 -1.64 0.00 0.00 0.00 175.76 173.12 1itw s MET 331 N -3.22 2.68 -0.09 0.00 1.00 0.15 -1.34 119.30 118.48 1itw s MET 331 Ca 0.75 -0.66 -0.22 0.00 0.00 0.00 0.00 55.69 55.56 1itw s MET 331 Cb -0.31 -2.46 -0.28 0.00 0.00 0.00 0.00 34.83 31.78 1itw s MET 331 CO 0.34 0.57 0.74 0.28 0.00 0.00 0.00 175.02 176.95 1itw h VAL 332 N 4.48 1.42 -2.55 -6.03 2.07 -0.79 -3.40 116.25 111.44 1itw h VAL 332 Ca -0.44 -2.44 -0.52 0.00 0.82 0.00 0.00 66.70 64.12 1itw h VAL 332 Cb 1.16 3.06 -0.38 0.00 -1.52 0.00 0.00 31.29 33.61 1itw h VAL 332 CO 0.52 0.66 -0.79 0.21 0.02 0.00 0.00 177.57 178.18 1itw s ASN 333 N -6.81 2.87 0.42 0.57 3.84 -0.82 -5.02 114.94 110.01 1itw s ASN 333 Ca -0.17 -1.71 0.09 0.00 0.21 0.00 0.00 52.86 51.28 1itw s ASN 333 Cb 0.01 -0.21 0.90 0.00 -0.55 0.00 0.00 41.25 41.40 1itw s ASN 333 CO 0.77 -0.35 2.02 0.77 -2.79 0.00 0.00 177.10 177.51 1itw h SER 334 N 7.58 0.30 0.18 -4.21 4.64 -1.83 -0.27 113.55 119.95 1itw h SER 334 Ca -0.04 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1itw h SER 334 Cb 1.00 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1itw h SER 334 CO 0.32 0.30 -0.17 0.44 -0.87 0.00 0.00 176.83 176.86 1itw h ASP 335 N 0.34 0.00 -0.32 4.97 3.32 -1.95 -2.60 116.42 120.18 1itw h ASP 335 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1itw h ASP 335 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1itw h ASP 335 CO -0.01 0.17 0.00 0.29 -1.72 0.00 0.00 179.24 177.97 1itw n LYS 336 N -4.27 2.29 -2.11 3.56 5.02 -0.93 -4.97 118.16 116.75 1itw n LYS 336 Ca -0.02 -1.96 -0.13 0.00 -2.02 0.00 0.00 58.31 54.18 1itw n LYS 336 Cb 0.23 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.81 0.08 3.54 0.72 0.00 -0.75 -4.96 105.19 104.63 1itw n GLY 337 Ca 0.13 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.62 4.61 0.66 -0.61 -1.09 -0.19 -4.99 121.20 116.97 1itw s ILE 338 Ca 0.00 0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.85 1itw s ILE 338 Cb 0.00 -4.35 0.08 0.00 -1.58 0.00 0.00 42.46 36.61 1itw s ILE 338 CO 0.00 -0.76 0.93 0.42 -1.23 0.00 0.00 174.94 174.30 1itw s THR 339 N 3.39 2.36 0.59 2.92 -4.23 -1.26 -0.19 115.64 119.22 1itw s THR 339 Ca 0.31 -0.51 0.39 0.00 -1.18 0.00 0.00 61.69 60.70 1itw s THR 339 Cb -0.12 -2.86 0.41 0.00 1.34 0.00 0.00 72.50 71.28 1itw s THR 339 CO 0.23 0.00 2.30 -1.13 -0.54 0.00 0.00 174.62 175.48 1itw h ASN 340 N -0.37 0.00 -0.56 3.99 -0.00 -1.54 -2.26 115.58 114.83 1itw h ASN 340 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.89 1itw h ASN 340 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.61 1itw h ASN 340 CO 0.50 0.01 0.00 0.18 -0.00 0.00 0.00 177.43 178.12 1itw n LEU 341 N -3.30 3.61 -0.02 0.34 4.77 -1.26 -4.52 117.00 116.62 1itw n LEU 341 Ca -0.03 -1.70 -0.16 0.00 -0.03 0.00 0.00 56.01 54.10 1itw n LEU 341 Cb 0.10 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.71 1itw n LEU 341 CO 0.23 0.85 0.34 0.45 -1.33 0.00 0.00 177.39 177.92 1itw h HIS 342 N 4.26 0.37 -3.25 -1.77 3.86 -1.78 -1.50 115.15 115.34 1itw h HIS 342 Ca 0.00 -0.21 -0.46 0.00 -1.16 0.00 0.00 60.37 58.54 1itw h HIS 342 Cb 0.96 -0.04 -0.38 0.00 1.06 0.00 0.00 27.41 29.01 1itw h HIS 342 CO 0.37 1.02 -0.78 0.08 0.86 0.00 0.00 177.93 179.48 1itw s VAL 343 N -3.11 0.57 0.38 2.45 1.01 -1.26 -1.45 120.40 118.99 1itw s VAL 343 Ca -0.15 -0.00 0.16 0.00 0.00 0.00 0.00 61.98 61.98 1itw s VAL 343 Cb 0.02 -0.68 0.37 0.00 0.00 0.00 0.00 36.38 36.09 1itw s VAL 343 CO 0.77 0.29 1.79 -0.65 0.00 0.00 0.00 175.10 177.30 1itw h PRO 344 N 8.22 0.46 -0.01 2.72 0.11 -1.87 -2.08 132.00 139.55 1itw h PRO 344 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1itw h PRO 344 Cb 1.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1itw h PRO 344 CO 0.31 0.30 -0.10 -1.13 -0.21 0.00 0.00 178.00 177.17 1itw n SER 345 N -4.63 0.71 0.05 -2.05 3.41 -1.26 -4.31 113.62 105.53 1itw n SER 345 Ca 0.24 -0.85 -0.13 0.00 -0.26 0.00 0.00 58.87 57.87 1itw n SER 345 Cb 0.78 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.95 -0.08 -3.66 4.04 5.19 -1.75 -3.41 116.42 117.71 1itw h ASP 346 Ca 0.00 -0.24 -0.69 0.00 -0.62 0.00 0.00 57.03 55.49 1itw h ASP 346 Cb 0.37 0.02 -0.20 0.00 0.18 0.00 0.00 39.33 39.70 1itw h ASP 346 CO 0.00 0.19 -0.48 -0.69 -3.12 0.00 0.00 179.24 175.15 1itw s VAL 347 N -5.12 5.19 -0.32 -1.35 1.01 -1.26 -5.05 120.40 113.49 1itw s VAL 347 Ca -0.15 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1itw s VAL 347 Cb 0.03 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1itw s VAL 347 CO 0.65 -0.08 0.08 -0.63 0.00 0.00 0.00 175.10 175.12 1itw s ILE 348 N 1.70 3.62 0.25 2.22 1.01 -1.26 -4.10 121.20 124.63 1itw s ILE 348 Ca 0.06 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 59.58 1itw s ILE 348 Cb -0.18 -3.03 0.34 0.00 0.01 0.00 0.00 42.46 39.61 1itw s ILE 348 CO 0.10 -0.12 1.26 0.55 0.00 0.00 0.00 174.94 176.72 1itw n VAL 349 N 4.78 -0.34 0.15 2.92 3.14 -0.15 -0.60 118.33 128.23 1itw n VAL 349 Ca -0.13 1.78 0.06 0.00 -2.96 0.00 0.00 64.34 63.08 1itw n VAL 349 Cb 0.45 -2.58 0.52 0.00 -1.06 0.00 0.00 33.84 31.17 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 0.20 0.00 6.55 -0.00 -1.92 -2.32 116.42 118.92 1itw h ASP 350 Ca 0.47 -0.01 -0.36 0.00 -0.00 0.00 0.00 57.03 57.13 1itw h ASP 350 Cb 0.95 -0.05 -0.07 0.00 -0.00 0.00 0.00 39.33 40.17 1itw h ASP 350 CO -0.77 0.19 -2.36 0.00 -0.00 0.00 0.00 179.24 176.30 1itw n ALA 351 N -2.51 1.50 -0.12 4.15 0.00 -0.14 -4.38 120.51 119.01 1itw n ALA 351 Ca -0.01 -1.20 -0.12 0.00 0.00 0.00 0.00 53.44 52.11 1itw n ALA 351 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 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 0.89 -0.33 0.00 4.64 -0.81 -2.41 113.55 115.54 1itw h SER 352 Ca -0.54 -0.44 -0.06 0.00 -0.47 0.00 0.00 61.79 60.29 1itw h SER 352 Cb 2.07 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 1itw h SER 352 CO -0.01 1.14 -0.01 0.24 -0.87 0.00 0.00 176.83 177.31 1itw h MET 353 N 0.66 0.58 -0.40 4.77 2.86 -1.65 -1.10 114.93 120.65 1itw h MET 353 Ca 0.07 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1itw h MET 353 Cb 0.84 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1itw h MET 353 CO 0.07 0.72 -0.03 -1.35 1.06 0.00 0.00 176.91 177.39 1itw h PRO 354 N 0.38 0.66 -0.61 -0.22 0.11 -1.76 0.02 132.00 130.57 1itw h PRO 354 Ca 0.09 -0.17 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 1itw h PRO 354 Cb 0.47 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 1itw h PRO 354 CO 0.02 0.70 0.28 0.00 -0.21 0.00 0.00 178.00 178.78 1itw h ALA 355 N 1.35 0.79 -0.20 -0.75 0.00 -1.27 0.31 119.26 119.50 1itw h ALA 355 Ca 0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1itw h ALA 355 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1itw h ALA 355 CO 0.02 0.38 -0.08 1.98 0.00 0.00 0.00 179.25 181.55 1itw h MET 356 N 0.85 0.40 -0.77 0.00 1.85 -0.84 -1.82 114.93 114.60 1itw h MET 356 Ca 0.21 -0.17 -0.03 0.00 -0.61 0.00 0.00 59.70 59.10 1itw h MET 356 Cb 0.15 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.13 1itw h MET 356 CO -0.02 0.68 0.37 0.82 -0.40 0.00 0.00 176.91 178.36 1itw h ILE 357 N 0.11 1.24 -0.49 1.77 2.04 -0.84 0.19 117.51 121.54 1itw h ILE 357 Ca 0.05 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 1itw h ILE 357 Cb 0.55 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1itw h ILE 357 CO 0.03 0.28 -0.17 -0.09 0.00 0.00 0.00 178.15 178.20 1itw h ARG 358 N 1.09 0.95 -2.58 2.37 2.43 -0.88 -3.24 114.38 114.52 1itw h ARG 358 Ca 0.27 -0.37 -0.65 0.00 -0.81 0.00 0.00 59.98 58.41 1itw h ARG 358 Cb 0.10 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.51 1itw h ARG 358 CO -0.03 1.04 2.29 -3.47 -1.51 0.00 0.00 179.97 178.28 1itw n ASP 359 N -4.13 7.82 -0.80 -3.80 -0.08 -0.69 -1.28 116.55 113.59 1itw n ASP 359 Ca 0.01 -2.97 -0.10 0.00 -1.51 0.00 0.00 54.79 50.22 1itw n ASP 359 Cb 0.43 -1.39 -0.04 0.00 2.34 0.00 0.00 41.12 42.45 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 2.10 -5.50 -0.15 1.67 7.64 -1.23 -1.50 113.62 116.65 1itw n SER 360 Ca 0.63 0.25 -0.01 0.00 1.01 0.00 0.00 58.87 60.75 1itw n SER 360 Cb 0.33 -4.03 -0.00 0.00 -1.01 0.00 0.00 64.21 59.50 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 0.28 0.39 3.54 0.23 0.00 0.64 -4.82 105.19 105.45 1itw n GLY 361 Ca -0.10 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.27 1.81 0.20 1.61 1.02 -0.56 -3.88 119.74 116.66 1itw s LYS 362 Ca 0.00 -1.93 -0.00 0.00 0.02 0.00 0.00 55.97 54.06 1itw s LYS 362 Cb 0.00 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 1itw s LYS 362 CO 0.00 0.14 0.10 -1.64 -0.92 0.00 0.00 175.35 173.03 1itw s MET 363 N -3.61 1.18 0.16 1.68 -1.94 -0.73 -4.53 119.30 111.51 1itw s MET 363 Ca 0.32 -1.61 -0.30 0.00 -1.71 0.00 0.00 55.69 52.39 1itw s MET 363 Cb 0.02 0.11 -0.08 0.00 2.01 0.00 0.00 34.83 36.90 1itw s MET 363 CO 0.16 -0.32 1.19 -1.58 -0.01 0.00 0.00 175.02 174.46 1itw s TRP 364 N -4.01 3.45 0.48 -0.03 0.52 -1.26 -1.43 118.94 116.65 1itw s TRP 364 Ca 0.35 1.42 0.08 0.00 0.02 0.00 0.00 56.10 57.96 1itw s TRP 364 Cb 0.07 -3.41 0.03 0.00 -1.15 0.00 0.00 33.47 29.01 1itw s TRP 364 CO 0.10 -1.16 0.55 0.20 0.02 0.00 0.00 176.95 176.66 1itw s GLY 365 N 0.29 2.01 0.55 0.98 0.00 0.17 0.32 107.32 111.63 1itw s GLY 365 Ca 0.54 -1.80 0.26 0.00 0.00 0.00 0.00 44.72 43.72 1itw s GLY 365 CO 0.35 -1.67 1.99 -2.55 0.00 0.00 0.00 173.10 171.22 1itw h PRO 366 N 0.63 0.00 0.00 2.90 0.11 -1.88 0.71 132.00 134.48 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 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1itw h PRO 366 CO 0.49 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 1itw n ASP 367 N -4.21 0.00 -0.14 -2.05 5.68 -1.26 -4.87 116.55 109.70 1itw n ASP 367 Ca 0.09 -0.95 -0.02 0.00 -0.50 0.00 0.00 54.79 53.41 1itw n ASP 367 Cb 0.59 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.56 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 0.90 0.54 3.60 6.12 0.00 0.24 -5.03 105.19 111.57 1itw n GLY 368 Ca 0.23 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.48 2.00 0.14 1.61 -0.14 -1.26 -4.86 119.74 115.75 1itw s LYS 369 Ca 0.00 -1.79 -0.25 0.00 -1.36 0.00 0.00 55.97 52.57 1itw s LYS 369 Cb 0.00 -1.87 -0.08 0.00 -1.68 0.00 0.00 37.83 34.21 1itw s LYS 369 CO 0.00 0.15 0.75 -0.51 -0.76 0.00 0.00 175.35 174.98 1itw s LEU 370 N -3.68 4.57 0.06 3.17 1.43 -1.26 -0.66 118.68 122.32 1itw s LEU 370 Ca 0.34 1.58 -0.05 0.00 -1.03 0.00 0.00 54.13 54.97 1itw s LEU 370 Cb 0.00 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 1itw s LEU 370 CO 0.18 0.19 0.08 -1.00 0.23 0.00 0.00 176.35 176.03 1itw s HIS 371 N -1.00 0.32 0.77 0.29 3.76 -0.52 -4.92 115.29 113.99 1itw s HIS 371 Ca 0.35 -0.79 -0.13 0.00 -0.15 0.00 0.00 55.06 54.34 1itw s HIS 371 Cb -0.22 -0.22 0.06 0.00 1.11 0.00 0.00 32.58 33.31 1itw s HIS 371 CO 0.25 -0.45 1.18 -0.51 -0.85 0.00 0.00 174.74 174.36 1itw s ASP 372 N -2.79 3.96 0.01 1.40 1.01 -1.26 -1.78 116.67 117.23 1itw s ASP 372 Ca 0.05 2.25 -0.05 0.00 0.71 0.00 0.00 52.55 55.51 1itw s ASP 372 Cb 0.05 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1itw s ASP 372 CO -0.10 -2.41 0.08 0.28 0.21 0.00 0.00 175.17 173.23 1itw s THR 373 N -2.24 0.10 -0.46 -1.27 -1.32 -1.25 -1.36 115.64 107.84 1itw s THR 373 Ca 0.71 -0.84 -0.18 0.00 -1.21 0.00 0.00 61.69 60.17 1itw s THR 373 Cb -0.26 -0.48 0.04 0.00 -1.51 0.00 0.00 72.50 70.29 1itw s THR 373 CO 0.49 -0.46 0.52 -0.75 -2.21 0.00 0.00 174.62 172.20 1itw s LYS 374 N -1.66 3.10 -0.49 7.08 2.20 0.78 -1.99 119.74 128.75 1itw s LYS 374 Ca -0.13 -0.89 -0.22 0.00 -0.36 0.00 0.00 55.97 54.36 1itw s LYS 374 Cb -0.07 -4.05 0.04 0.00 -1.51 0.00 0.00 37.83 32.24 1itw s LYS 374 CO -0.00 -1.04 0.79 0.00 -0.36 0.00 0.00 175.35 174.74 1itw s ALA 375 N 2.28 3.27 -0.36 3.13 0.00 0.89 -1.68 121.76 129.30 1itw s ALA 375 Ca 0.12 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 50.58 1itw s ALA 375 Cb -0.19 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.43 1itw s ALA 375 CO 0.12 -2.07 1.03 0.08 0.00 0.00 0.00 175.76 174.92 1itw s VAL 376 N 3.34 4.49 -0.44 0.00 1.01 0.25 -0.59 120.40 128.46 1itw s VAL 376 Ca 0.27 1.46 0.02 0.00 0.00 0.00 0.00 61.98 63.73 1itw s VAL 376 Cb -0.14 -4.42 0.14 0.00 0.00 0.00 0.00 36.38 31.96 1itw s VAL 376 CO 0.19 -0.58 0.24 -0.63 0.00 0.00 0.00 175.10 174.32 1itw s ILE 377 N 3.72 1.36 0.13 2.22 1.01 -0.62 -1.59 121.20 127.42 1itw s ILE 377 Ca 0.43 -2.56 -0.25 0.00 0.00 0.00 0.00 60.65 58.27 1itw s ILE 377 Cb -0.11 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.34 1itw s ILE 377 CO 0.19 -0.91 1.44 -0.65 0.00 0.00 0.00 174.94 175.01 1itw h PRO 378 N 6.69 -0.05 -6.69 2.79 0.11 -1.90 -3.36 132.00 129.59 1itw h PRO 378 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1itw h PRO 378 Cb 0.93 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1itw h PRO 378 CO 0.48 -0.04 0.46 0.34 -0.21 0.00 0.00 178.00 179.03 1itw s ASP 379 N -4.96 7.30 0.17 -2.05 -1.08 -1.26 -0.37 116.67 114.41 1itw s ASP 379 Ca -0.10 2.11 0.23 0.00 -0.52 0.00 0.00 52.55 54.27 1itw s ASP 379 Cb 0.09 -2.61 0.90 0.00 -1.46 0.00 0.00 42.92 39.84 1itw s ASP 379 CO 0.50 -0.17 1.71 0.54 0.52 0.00 0.00 175.17 178.27 1itw n ARG 380 N 2.06 0.15 -0.20 4.34 1.74 -1.26 -3.70 116.66 119.79 1itw n ARG 380 Ca 0.01 0.29 -0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1itw n ARG 380 Cb 0.46 -1.75 0.07 0.00 -1.02 0.00 0.00 32.46 30.22 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 -5.38 0.00 -0.29 0.00 4.02 -1.26 -4.72 117.16 109.53 1itw n TYR 382 Ca 0.08 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.00 1itw n TYR 382 Cb 0.33 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.83 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 0.08 1.20 -0.46 -0.72 0.00 -1.64 -2.14 119.26 115.58 1itw h ALA 383 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1itw h ALA 383 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1itw h ALA 383 CO 0.00 0.06 0.31 0.78 0.00 0.00 0.00 179.25 180.40 1itw h GLY 384 N 0.76 0.49 0.99 0.00 0.00 -1.85 -2.51 103.07 100.94 1itw h GLY 384 Ca 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1itw h GLY 384 CO -0.27 0.12 0.11 -2.08 0.00 0.00 0.00 176.54 174.42 1itw h VAL 385 N 0.40 1.05 -0.54 4.60 2.07 -1.71 -1.59 116.25 120.53 1itw h VAL 385 Ca 0.20 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 1itw h VAL 385 Cb 0.29 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1itw h VAL 385 CO -0.05 0.05 0.07 1.88 0.02 0.00 0.00 177.57 179.54 1itw h TYR 386 N 0.22 0.90 -0.75 1.57 0.99 -1.54 -2.56 116.97 115.80 1itw h TYR 386 Ca 0.06 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1itw h TYR 386 Cb -0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 36.73 37.43 1itw h TYR 386 CO -0.06 0.79 0.37 0.37 -0.00 0.00 0.00 178.16 179.62 1itw h GLN 387 N 0.82 1.07 -0.46 4.88 5.75 -1.15 -1.08 115.11 124.94 1itw h GLN 387 Ca 0.17 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1itw h GLN 387 Cb 0.38 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1itw h GLN 387 CO 0.01 0.82 0.26 0.28 -2.65 0.00 0.00 178.83 177.55 1itw h VAL 388 N 1.07 1.16 -0.79 2.39 2.07 -0.90 -0.99 116.25 120.25 1itw h VAL 388 Ca 0.26 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1itw h VAL 388 Cb 0.10 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1itw h VAL 388 CO -0.03 0.17 0.33 0.58 0.02 0.00 0.00 177.57 178.64 1itw h VAL 389 N 0.61 1.26 -0.25 2.57 2.07 -1.08 -0.36 116.25 121.05 1itw h VAL 389 Ca 0.16 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1itw h VAL 389 Cb 0.04 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1itw h VAL 389 CO -0.03 0.32 0.08 0.40 0.02 0.00 0.00 177.57 178.37 1itw h ILE 390 N 1.14 1.20 -0.30 4.57 2.04 -0.84 -1.61 117.51 123.70 1itw h ILE 390 Ca 0.27 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 1itw h ILE 390 Cb 0.19 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1itw h ILE 390 CO -0.03 0.20 -0.10 -0.33 0.00 0.00 0.00 178.15 177.89 1itw h GLU 391 N 0.24 0.50 -0.75 2.37 5.08 -0.96 -0.81 114.58 120.26 1itw h GLU 391 Ca 0.08 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1itw h GLU 391 Cb 0.24 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1itw h GLU 391 CO -0.00 0.61 0.30 0.22 -1.00 0.00 0.00 179.01 179.13 1itw h ASP 392 N 0.47 1.03 0.08 1.42 3.58 -0.77 -0.98 116.42 121.25 1itw h ASP 392 Ca 0.09 -0.17 -0.17 0.00 0.42 0.00 0.00 57.03 57.20 1itw h ASP 392 Cb 0.47 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1itw h ASP 392 CO 0.03 0.92 -0.59 0.00 -2.88 0.00 0.00 179.24 176.72 1itw h LYS 394 N 0.39 0.44 0.16 0.00 1.57 -0.88 0.58 116.57 118.84 1itw h LYS 394 Ca -0.00 -0.17 -0.26 0.00 -1.87 0.00 0.00 60.65 58.35 1itw h LYS 394 Cb 1.14 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.44 1itw h LYS 394 CO 0.11 0.68 -1.23 0.37 -0.57 0.00 0.00 179.45 178.81 1itw h GLN 395 N 0.39 0.35 -0.01 3.15 4.15 -1.03 -3.32 115.11 118.78 1itw h GLN 395 Ca 0.05 -0.60 0.00 0.00 0.77 0.00 0.00 58.65 58.88 1itw h GLN 395 Cb 0.69 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.60 1itw h GLN 395 CO 0.05 1.28 -0.25 0.72 -1.93 0.00 0.00 178.83 178.70 1itw n HIS 396 N -3.93 0.00 -1.65 3.99 8.25 0.21 -5.04 115.22 117.05 1itw n HIS 396 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1itw n HIS 396 Cb 0.93 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 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 0.99 -2.37 3.74 -1.41 0.00 0.20 -4.94 105.19 101.41 1itw n GLY 397 Ca 0.05 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 1itw n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itw s ALA 398 N -1.16 2.52 0.54 4.61 0.00 -1.26 -4.43 121.76 122.58 1itw s ALA 398 Ca 0.00 1.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.98 1itw s ALA 398 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1itw s ALA 398 CO 0.00 -1.48 1.16 -0.06 0.00 0.00 0.00 175.76 175.38 1itw s PHE 399 N -1.40 2.62 -0.46 0.00 0.40 -1.26 -5.00 117.98 112.88 1itw s PHE 399 Ca 0.79 1.53 -0.08 0.00 -0.60 0.00 0.00 56.93 58.58 1itw s PHE 399 Cb -0.37 -3.36 0.12 0.00 0.51 0.00 0.00 43.02 39.91 1itw s PHE 399 CO 0.41 -1.76 0.32 0.34 0.70 0.00 0.00 175.22 175.23 1itw s ASP 400 N -1.65 5.60 0.56 1.36 -1.08 -1.26 -4.94 116.67 115.25 1itw s ASP 400 Ca 0.73 -1.97 0.30 0.00 -0.52 0.00 0.00 52.55 51.09 1itw s ASP 400 Cb -0.27 -1.97 1.46 0.00 -1.46 0.00 0.00 42.92 40.69 1itw s ASP 400 CO 0.30 -0.65 1.90 -0.65 0.52 0.00 0.00 175.17 176.59 1itw h PRO 401 N 8.32 0.00 0.00 4.34 0.11 -1.88 0.28 132.00 143.17 1itw h PRO 401 Ca -0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 1itw h PRO 401 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1itw h PRO 401 CO 0.82 0.00 -0.09 1.79 -0.21 0.00 0.00 178.00 180.31 1itw h THR 402 N 0.00 0.19 0.00 -1.15 1.35 -1.84 -3.38 112.91 108.08 1itw h THR 402 Ca 0.33 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1itw h THR 402 Cb 1.43 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1itw h THR 402 CO -0.00 0.09 -0.32 0.35 -0.25 0.00 0.00 175.52 175.38 1itw n THR 403 N -3.17 0.00 -2.07 6.82 -2.24 -0.50 -4.93 114.28 108.19 1itw n THR 403 Ca 0.02 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 1itw n THR 403 Cb 0.44 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.97 3.11 0.00 -0.78 0.23 -0.03 -3.84 119.30 117.02 1itw s MET 404 Ca 0.00 1.62 0.00 0.00 -1.03 0.00 0.00 55.69 56.28 1itw s MET 404 Cb 0.00 -1.97 0.00 0.00 -1.53 0.00 0.00 34.83 31.33 1itw s MET 404 CO 0.00 -1.05 0.00 0.41 -2.03 0.00 0.00 175.02 172.35 1itw n GLY 405 N 0.12 -0.34 3.17 3.16 0.00 0.44 -4.81 105.19 106.92 1itw n GLY 405 Ca 0.12 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.33 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 1.59 -0.48 1.61 0.01 -1.24 -4.93 113.70 109.25 1itw s SER 406 Ca 0.00 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 56.64 1itw s SER 406 Cb 0.00 -0.04 0.14 0.00 0.21 0.00 0.00 66.02 66.34 1itw s SER 406 CO 0.00 -0.11 0.28 -0.69 0.41 0.00 0.00 173.24 173.13 1itw s VAL 407 N -1.47 1.70 1.04 3.43 1.01 -1.26 -1.41 120.40 123.43 1itw s VAL 407 Ca -0.01 -2.91 -0.15 0.00 0.00 0.00 0.00 61.98 58.91 1itw s VAL 407 Cb -0.09 -2.17 0.21 0.00 0.00 0.00 0.00 36.38 34.33 1itw s VAL 407 CO 0.02 -0.92 1.15 -2.84 0.00 0.00 0.00 175.10 172.51 1itw s PRO 408 N -0.01 0.12 0.00 2.72 0.02 -1.24 -4.81 135.00 131.81 1itw s PRO 408 Ca 0.20 0.10 0.01 0.00 0.02 0.00 0.00 61.00 61.33 1itw s PRO 408 Cb -0.20 -1.74 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 1itw s PRO 408 CO -0.04 -2.85 -0.05 1.21 -0.33 0.00 0.00 177.00 174.95 1itw s ASN 409 N -4.01 0.53 -0.30 2.53 3.84 -0.76 -1.32 114.94 115.45 1itw s ASN 409 Ca 0.68 -0.15 0.03 0.00 0.21 0.00 0.00 52.86 53.63 1itw s ASN 409 Cb -0.12 -0.04 0.08 0.00 -0.55 0.00 0.00 41.25 40.62 1itw s ASN 409 CO 0.55 0.01 -0.02 -0.69 -2.79 0.00 0.00 177.10 174.16 1itw s VAL 410 N -0.30 2.07 -0.05 -5.21 1.01 0.49 -2.03 120.40 116.37 1itw s VAL 410 Ca -0.00 -1.89 0.02 0.00 0.00 0.00 0.00 61.98 60.10 1itw s VAL 410 Cb -0.03 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1itw s VAL 410 CO -0.00 -0.33 -0.08 -0.83 0.00 0.00 0.00 175.10 173.86 1itw s GLY 411 N 1.08 1.68 -0.31 4.51 0.00 0.43 -1.55 107.32 113.16 1itw s GLY 411 Ca 0.01 -0.93 -0.28 0.00 0.00 0.00 0.00 44.72 43.53 1itw s GLY 411 CO -0.08 -0.72 1.01 -2.27 0.00 0.00 0.00 173.10 171.04 1itw s LEU 412 N -0.91 3.98 0.00 0.66 2.96 -0.26 -0.66 118.68 124.45 1itw s LEU 412 Ca 0.13 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 1itw s LEU 412 Cb -0.11 -3.44 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1itw s LEU 412 CO 0.02 -0.81 0.00 1.15 -1.32 0.00 0.00 176.35 175.39 1itw n MET 413 N 6.69 0.15 -1.63 1.98 0.00 -1.26 -1.77 117.12 121.29 1itw n MET 413 Ca 0.10 0.00 -0.47 0.00 0.00 0.00 0.00 57.70 57.33 1itw n MET 413 Cb 0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 33.22 33.65 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 0.20 -3.42 3.17 0.00 -1.09 -2.78 120.51 116.60 1itw n ALA 414 Ca 0.00 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.71 1itw n ALA 414 Cb 0.00 -2.16 0.09 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 1.93 -6.57 -3.99 0.00 6.02 -1.14 -3.22 117.38 110.41 1itw n GLN 415 Ca 0.13 0.84 -0.27 0.00 -0.01 0.00 0.00 57.00 57.70 1itw n GLN 415 Cb 0.28 -5.84 -0.02 0.00 1.02 0.00 0.00 30.24 25.68 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 -4.10 -3.42 -1.79 -1.09 5.02 -1.12 -4.87 118.16 106.78 1itw n LYS 416 Ca -0.29 0.41 -0.41 0.00 -2.02 0.00 0.00 58.31 56.01 1itw n LYS 416 Cb 0.67 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 31.00 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 -3.82 3.55 0.00 7.82 0.00 -1.12 -2.36 121.76 125.83 1itw s ALA 417 Ca 0.15 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1itw s ALA 417 Cb -0.08 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1itw s ALA 417 CO 0.89 -1.08 0.00 0.39 0.00 0.00 0.00 175.76 175.96 1itw n GLU 418 N 0.39 0.00 -0.20 0.00 1.02 0.59 -3.02 120.64 119.42 1itw n GLU 418 Ca 0.01 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.36 1itw n GLU 418 Cb 0.39 0.00 0.57 0.00 -0.02 0.00 0.00 31.44 32.38 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 0.29 0.00 3.49 3.07 -1.87 -1.84 114.58 117.72 1itw h GLU 419 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1itw h GLU 419 Cb 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1itw h GLU 419 CO 0.00 0.19 0.00 1.88 -1.40 0.00 0.00 179.01 179.68 1itw h TYR 420 N 0.30 0.00 -0.20 4.33 -1.99 -1.77 -2.16 116.97 115.48 1itw h TYR 420 Ca 0.43 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.16 1itw h TYR 420 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 1itw h TYR 420 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1itw n GLY 421 N -0.92 3.48 0.04 3.88 0.00 -0.69 -4.67 105.19 106.30 1itw n GLY 421 Ca -0.02 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.27 0.45 -0.21 1.61 3.41 -0.81 -4.42 113.62 113.38 1itw n SER 422 Ca 0.12 0.26 0.01 0.00 -0.26 0.00 0.00 58.87 59.00 1itw n SER 422 Cb 0.55 -0.24 0.12 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.00 0.32 -0.05 7.33 3.86 -1.83 -0.64 115.15 124.13 1itw h HIS 423 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1itw h HIS 423 Cb 0.61 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1itw h HIS 423 CO 0.00 0.02 0.00 -0.40 0.86 0.00 0.00 177.93 178.41 1itw n ASP 424 N -5.07 0.26 -0.71 2.45 5.75 -1.26 -2.70 116.55 115.27 1itw n ASP 424 Ca 0.10 -2.00 0.05 0.00 -0.01 0.00 0.00 54.79 52.92 1itw n ASP 424 Cb 0.33 -0.04 0.08 0.00 -1.03 0.00 0.00 41.12 40.46 1itw n ASP 424 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1itw n LYS 425 N -0.36 0.62 -4.64 0.11 5.02 -0.28 -5.00 118.16 113.63 1itw n LYS 425 Ca 0.02 -2.12 -0.33 0.00 -2.02 0.00 0.00 58.31 53.86 1itw n LYS 425 Cb 0.04 -0.82 -0.16 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.32 2.44 -0.00 -0.18 2.01 -1.01 -1.90 115.64 115.68 1itw s THR 426 Ca 0.25 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1itw s THR 426 Cb 0.25 -2.01 -0.00 0.00 0.01 0.00 0.00 72.50 70.75 1itw s THR 426 CO -0.06 0.53 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.00 1itw s PHE 427 N 0.75 0.35 -0.29 4.92 0.40 0.43 -4.99 117.98 119.55 1itw s PHE 427 Ca -0.07 -0.08 -0.23 0.00 -0.60 0.00 0.00 56.93 55.95 1itw s PHE 427 Cb -0.16 -0.22 -0.00 0.00 0.51 0.00 0.00 43.02 43.15 1itw s PHE 427 CO 0.00 -0.01 0.74 -1.14 0.70 0.00 0.00 175.22 175.52 1itw s GLN 428 N -0.14 3.99 0.08 0.44 0.74 -1.26 -1.02 119.66 122.50 1itw s GLN 428 Ca 0.01 0.57 -0.31 0.00 0.05 0.00 0.00 55.36 55.67 1itw s GLN 428 Cb -0.02 -3.71 -0.11 0.00 1.10 0.00 0.00 33.01 30.28 1itw s GLN 428 CO -0.00 -0.61 1.87 -0.89 -0.55 0.00 0.00 175.29 175.10 1itw n ILE 429 N 5.44 0.47 0.00 -2.34 2.08 0.42 -4.84 119.36 120.59 1itw n ILE 429 Ca 0.03 -0.08 -0.06 0.00 0.56 0.00 0.00 62.75 63.19 1itw n ILE 429 Cb 0.48 -2.12 0.13 0.00 -0.75 0.00 0.00 39.64 37.38 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 9.01 0.52 -3.16 0.38 0.11 -1.91 0.23 132.00 137.18 1itw h PRO 430 Ca -0.47 -0.25 -0.03 0.00 0.11 0.00 0.00 66.00 65.35 1itw h PRO 430 Cb 1.23 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.22 1itw h PRO 430 CO 0.94 0.82 0.10 0.00 -0.21 0.00 0.00 178.00 179.66 1itw s ALA 431 N -4.27 -1.29 0.47 -0.75 0.00 -1.26 -4.74 121.76 109.92 1itw s ALA 431 Ca -0.07 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.86 1itw s ALA 431 Cb 0.13 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.99 1itw s ALA 431 CO 0.81 -0.74 1.26 -0.25 0.00 0.00 0.00 175.76 176.84 1itw n ASP 432 N -0.33 2.40 0.00 0.00 9.92 -1.26 -4.22 116.55 123.06 1itw n ASP 432 Ca -0.15 1.04 0.00 0.00 -0.53 0.00 0.00 54.79 55.15 1itw n ASP 432 Cb 0.64 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 1itw n ASP 432 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1itw n GLY 433 N 0.85 -0.45 3.05 0.44 0.00 -0.70 -2.86 105.19 105.52 1itw n GLY 433 Ca 0.08 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.89 0.78 -0.22 1.61 -7.23 -0.73 -0.37 120.40 110.35 1itw s VAL 434 Ca 0.00 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.50 1itw s VAL 434 Cb 0.00 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 1itw s VAL 434 CO 0.00 0.12 0.17 -0.69 -0.31 0.00 0.00 175.10 174.39 1itw s VAL 435 N -0.43 5.37 -0.03 1.32 1.01 0.85 -0.46 120.40 128.01 1itw s VAL 435 Ca 0.02 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1itw s VAL 435 Cb -0.05 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1itw s VAL 435 CO 0.00 0.38 -0.22 -0.13 0.00 0.00 0.00 175.10 175.13 1itw s ARG 436 N 0.79 2.29 -0.25 2.72 0.52 0.17 -1.34 118.95 123.84 1itw s ARG 436 Ca 0.09 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1itw s ARG 436 Cb -0.13 -2.17 0.04 0.00 0.52 0.00 0.00 34.95 33.21 1itw s ARG 436 CO 0.02 0.57 -0.09 0.08 0.02 0.00 0.00 175.30 175.90 1itw s VAL 437 N -0.61 2.53 0.09 3.52 1.01 0.15 -1.67 120.40 125.41 1itw s VAL 437 Ca 0.09 -1.29 0.09 0.00 0.00 0.00 0.00 61.98 60.87 1itw s VAL 437 Cb -0.11 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1itw s VAL 437 CO -0.00 0.11 -0.24 0.42 0.00 0.00 0.00 175.10 175.39 1itw s THR 438 N 1.23 1.94 0.73 3.92 -4.23 -0.70 -0.22 115.64 118.31 1itw s THR 438 Ca -0.03 -1.50 -0.06 0.00 -1.18 0.00 0.00 61.69 58.92 1itw s THR 438 Cb -0.18 -1.71 0.16 0.00 1.34 0.00 0.00 72.50 72.10 1itw s THR 438 CO -0.05 0.13 1.00 -0.90 -0.54 0.00 0.00 174.62 174.25 1itw n ASP 439 N 1.35 0.73 0.11 3.99 3.85 -0.87 0.06 116.55 125.77 1itw n ASP 439 Ca -0.18 -1.76 0.14 0.00 -0.71 0.00 0.00 54.79 52.29 1itw n ASP 439 Cb 0.53 -0.70 0.66 0.00 -1.35 0.00 0.00 41.12 40.26 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 0.02 -0.00 0.11 5.08 -1.83 -0.31 114.58 117.65 1itw h GLU 440 Ca -0.33 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1itw h GLU 440 Cb 1.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1itw h GLU 440 CO 0.29 0.02 -0.03 -1.13 -1.00 0.00 0.00 179.01 177.16 1itw n SER 441 N -4.45 0.08 0.00 1.42 3.41 -1.26 -4.89 113.62 107.92 1itw n SER 441 Ca 0.04 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1itw n SER 441 Cb 0.37 -0.28 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 1.33 0.78 3.72 5.00 0.00 -0.13 -5.05 105.19 110.84 1itw n GLY 442 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.60 4.50 -0.33 1.61 2.20 -1.26 -4.78 119.74 121.09 1itw s LYS 443 Ca 0.00 1.71 -0.29 0.00 -0.36 0.00 0.00 55.97 57.03 1itw s LYS 443 Cb 0.00 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1itw s LYS 443 CO 0.00 -0.12 1.27 -1.17 -0.36 0.00 0.00 175.35 174.97 1itw s LEU 444 N 0.58 3.84 -0.21 5.43 2.96 -1.26 -2.04 118.68 127.98 1itw s LEU 444 Ca 0.55 1.10 -0.09 0.00 -0.22 0.00 0.00 54.13 55.47 1itw s LEU 444 Cb -0.28 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.67 1itw s LEU 444 CO 0.31 -1.10 0.01 0.18 -1.32 0.00 0.00 176.35 174.43 1itw n LEU 445 N 7.67 2.44 -3.89 -0.68 4.77 0.69 -4.98 117.00 123.03 1itw n LEU 445 Ca 0.14 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1itw n LEU 445 Cb 0.47 -0.97 -0.14 0.00 -2.33 0.00 0.00 43.42 40.45 1itw n LEU 445 CO 0.64 0.71 -0.37 -0.76 -1.33 0.00 0.00 177.39 176.27 1itw s LEU 446 N -7.15 1.86 -0.03 2.23 1.43 -1.09 -4.79 118.68 111.15 1itw s LEU 446 Ca -0.31 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1itw s LEU 446 Cb 0.09 -0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.22 1itw s LEU 446 CO 0.63 0.00 -0.01 -0.70 0.23 0.00 0.00 176.35 176.50 1itw s GLU 447 N 0.13 0.34 -0.08 1.70 2.12 -1.26 -0.67 118.70 120.99 1itw s GLU 447 Ca -0.01 0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.31 1itw s GLU 447 Cb -0.03 -0.47 0.04 0.00 0.26 0.00 0.00 34.13 33.94 1itw s GLU 447 CO -0.00 -0.09 0.16 -1.14 -0.54 0.00 0.00 175.26 173.64 1itw s GLN 448 N 0.79 0.07 0.27 4.30 2.00 -0.45 -4.97 119.66 121.68 1itw s GLN 448 Ca -0.08 0.46 -0.29 0.00 -2.00 0.00 0.00 55.36 53.44 1itw s GLN 448 Cb -0.11 -0.21 -0.09 0.00 0.80 0.00 0.00 33.01 33.39 1itw s GLN 448 CO -0.01 -0.22 1.15 -1.12 -0.50 0.00 0.00 175.29 174.58 1itw s SER 449 N 1.64 7.16 0.10 6.67 0.01 -1.26 -0.11 113.70 127.91 1itw s SER 449 Ca -0.04 2.33 -0.02 0.00 1.31 0.00 0.00 55.95 59.53 1itw s SER 449 Cb -0.12 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 1itw s SER 449 CO -0.06 -0.24 0.03 0.68 0.41 0.00 0.00 173.24 174.07 1itw s VAL 450 N -0.99 0.15 0.14 3.43 -7.23 0.50 -4.90 120.40 111.50 1itw s VAL 450 Ca 0.46 -1.82 0.09 0.00 -1.81 0.00 0.00 61.98 58.90 1itw s VAL 450 Cb -0.33 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1itw s VAL 450 CO 0.42 -0.69 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.71 1itw s GLU 451 N -3.99 1.25 0.19 4.82 2.02 -1.26 -1.71 118.70 120.02 1itw s GLU 451 Ca 0.16 -1.33 -0.32 0.00 0.02 0.00 0.00 54.97 53.49 1itw s GLU 451 Cb 0.07 -1.42 -0.15 0.00 0.10 0.00 0.00 34.13 32.74 1itw s GLU 451 CO -0.04 0.31 1.29 0.00 0.02 0.00 0.00 175.26 176.84 1itw n ALA 452 N 0.58 0.10 0.00 5.21 0.00 -1.26 -1.23 120.51 123.91 1itw n ALA 452 Ca -0.15 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1itw n ALA 452 Cb 0.56 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 2.17 2.20 3.75 0.00 0.00 0.82 -4.87 105.19 109.26 1itw n GLY 453 Ca 0.14 0.00 -0.31 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 -1.82 4.15 -0.38 1.61 -0.00 -0.36 -4.56 116.67 115.32 1itw s ASP 454 Ca 0.00 1.93 -0.05 0.00 -0.00 0.00 0.00 52.55 54.43 1itw s ASP 454 Cb 0.00 -2.53 0.08 0.00 -0.00 0.00 0.00 42.92 40.46 1itw s ASP 454 CO 0.00 -2.28 0.16 -0.63 -0.00 0.00 0.00 175.17 172.42 1itw s ILE 455 N -2.80 3.58 -0.05 0.77 1.01 -0.57 -0.44 121.20 122.70 1itw s ILE 455 Ca 0.63 -1.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 1itw s ILE 455 Cb -0.19 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1itw s ILE 455 CO 0.56 -0.42 0.22 0.86 0.00 0.00 0.00 174.94 176.16 1itw s TRP 456 N 1.29 3.61 0.03 3.97 -0.00 -0.18 -1.10 118.94 126.56 1itw s TRP 456 Ca 0.02 0.59 -0.11 0.00 -0.00 0.00 0.00 56.10 56.60 1itw s TRP 456 Cb -0.22 -2.00 0.01 0.00 -0.00 0.00 0.00 33.47 31.27 1itw s TRP 456 CO -0.00 0.68 0.23 -0.98 -0.00 0.00 0.00 176.95 176.88 1itw s ARG 457 N -1.34 0.71 -0.03 5.86 1.70 -0.67 -0.43 118.95 124.76 1itw s ARG 457 Ca 0.21 -0.53 0.03 0.00 -0.47 0.00 0.00 55.73 54.97 1itw s ARG 457 Cb -0.13 0.30 -0.00 0.00 -0.57 0.00 0.00 34.95 34.55 1itw s ARG 457 CO 0.10 -0.21 -0.13 1.41 -1.08 0.00 0.00 175.30 175.40 1itw s MET 458 N -2.36 1.21 0.18 3.89 1.75 -0.80 -1.86 119.30 121.32 1itw s MET 458 Ca -0.07 -0.44 0.10 0.00 -1.25 0.00 0.00 55.69 54.04 1itw s MET 458 Cb -0.02 -1.12 -0.04 0.00 2.84 0.00 0.00 34.83 36.49 1itw s MET 458 CO -0.03 0.20 -0.17 0.00 -0.65 0.00 0.00 175.02 174.37 1itw s GLN 460 N -2.69 1.12 -0.17 0.00 -0.21 -1.26 -1.47 119.66 114.98 1itw s GLN 460 Ca 0.22 -0.70 -0.04 0.00 0.02 0.00 0.00 55.36 54.87 1itw s GLN 460 Cb -0.08 -1.12 0.08 0.00 1.00 0.00 0.00 33.01 32.88 1itw s GLN 460 CO 0.12 0.29 0.20 0.00 -2.12 0.00 0.00 175.29 173.78 1itw s ALA 461 N -0.64 -0.21 0.44 6.09 0.00 -0.12 -0.30 121.76 127.02 1itw s ALA 461 Ca 0.04 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 1itw s ALA 461 Cb -0.07 -1.16 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 1itw s ALA 461 CO 0.01 -1.01 0.88 0.15 0.00 0.00 0.00 175.76 175.79 1itw s LYS 462 N 2.31 3.95 0.14 0.00 1.02 -1.26 -0.89 119.74 125.02 1itw s LYS 462 Ca 0.05 0.80 -0.12 0.00 0.02 0.00 0.00 55.97 56.73 1itw s LYS 462 Cb -0.15 -2.26 -0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1itw s LYS 462 CO -0.10 -0.10 1.55 0.22 -0.92 0.00 0.00 175.35 176.00 1itw h ASP 463 N 1.37 0.90 -0.19 2.83 1.82 -1.86 -2.92 116.42 118.37 1itw h ASP 463 Ca -0.47 -0.37 0.01 0.00 -0.39 0.00 0.00 57.03 55.81 1itw h ASP 463 Cb 1.18 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.93 1itw h ASP 463 CO 0.63 1.06 0.08 0.00 -1.61 0.00 0.00 179.24 179.40 1itw h ALA 464 N 0.87 0.21 -0.60 -0.78 0.00 -1.94 -0.40 119.26 116.63 1itw h ALA 464 Ca 0.12 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1itw h ALA 464 Cb 0.67 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1itw h ALA 464 CO 0.05 -0.35 0.25 -1.35 0.00 0.00 0.00 179.25 177.85 1itw h PRO 465 N 0.18 0.44 -0.48 0.00 0.11 -1.89 -0.91 132.00 129.45 1itw h PRO 465 Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1itw h PRO 465 Cb 0.03 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1itw h PRO 465 CO -0.07 0.29 0.30 0.82 -0.21 0.00 0.00 178.00 179.13 1itw h ILE 466 N 0.45 1.14 -0.57 4.15 2.04 -1.23 0.18 117.51 123.67 1itw h ILE 466 Ca 0.29 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1itw h ILE 466 Cb 0.32 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1itw h ILE 466 CO -0.27 0.14 0.34 1.56 0.00 0.00 0.00 178.15 179.92 1itw h GLN 467 N 0.64 0.77 -0.66 2.37 4.20 -0.49 -1.14 115.11 120.80 1itw h GLN 467 Ca 0.17 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1itw h GLN 467 Cb -0.03 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1itw h GLN 467 CO -0.03 0.56 0.20 0.22 -0.67 0.00 0.00 178.83 179.10 1itw h ASP 468 N 0.77 0.94 -0.29 1.46 1.82 -0.79 -1.47 116.42 118.85 1itw h ASP 468 Ca 0.20 -0.17 0.02 0.00 -0.39 0.00 0.00 57.03 56.69 1itw h ASP 468 Cb -0.02 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 1itw h ASP 468 CO -0.04 0.88 0.15 -0.25 -1.61 0.00 0.00 179.24 178.38 1itw h TRP 469 N 0.97 0.28 -0.42 0.28 7.01 -0.09 -0.12 115.95 123.87 1itw h TRP 469 Ca 0.22 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 1itw h TRP 469 Cb 0.28 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1itw h TRP 469 CO 0.02 0.16 0.21 0.28 -2.79 0.00 0.00 178.44 176.32 1itw h VAL 470 N 0.31 1.17 -0.83 2.65 2.07 -0.92 -1.00 116.25 119.70 1itw h VAL 470 Ca 0.12 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.23 1itw h VAL 470 Cb 0.02 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1itw h VAL 470 CO -0.07 0.18 0.50 0.50 0.02 0.00 0.00 177.57 178.70 1itw h LYS 471 N 0.54 0.87 -0.56 1.57 3.64 -0.79 -0.41 116.57 121.43 1itw h LYS 471 Ca 0.15 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1itw h LYS 471 Cb 0.10 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1itw h LYS 471 CO -0.02 0.57 0.03 1.25 -2.27 0.00 0.00 179.45 179.01 1itw h LEU 472 N 0.89 0.95 -0.08 5.20 5.85 -0.66 -0.16 115.31 127.31 1itw h LEU 472 Ca 0.37 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1itw h LEU 472 Cb 0.22 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1itw h LEU 472 CO -0.19 1.01 -0.04 0.00 -0.34 0.00 0.00 178.44 178.87 1itw h ALA 473 N 0.97 0.03 -0.79 1.25 0.00 -0.09 -0.35 119.26 120.28 1itw h ALA 473 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1itw h ALA 473 Cb 0.50 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1itw h ALA 473 CO 0.02 -0.51 0.43 0.28 0.00 0.00 0.00 179.25 179.48 1itw h VAL 474 N -0.04 1.24 -0.34 0.00 2.07 -0.97 -1.34 116.25 116.88 1itw h VAL 474 Ca 0.05 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1itw h VAL 474 Cb 0.10 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1itw h VAL 474 CO -0.10 0.27 0.10 -1.13 0.02 0.00 0.00 177.57 176.72 1itw h ASN 475 N 1.10 0.09 -0.36 0.57 -0.73 -0.46 -1.20 115.58 114.60 1itw h ASN 475 Ca 0.28 0.04 -0.11 0.00 1.87 0.00 0.00 56.30 58.38 1itw h ASN 475 Cb 0.04 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 1itw h ASN 475 CO -0.04 0.09 -0.17 0.03 -0.37 0.00 0.00 177.43 176.97 1itw h ARG 476 N 0.24 0.83 -0.60 6.67 2.47 -0.71 -1.04 114.38 122.24 1itw h ARG 476 Ca 0.16 -0.31 -0.03 0.00 -1.26 0.00 0.00 59.98 58.53 1itw h ARG 476 Cb 0.14 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 1itw h ARG 476 CO -0.17 0.93 0.24 0.00 0.56 0.00 0.00 179.97 181.53 1itw h ALA 477 N 1.08 0.77 -0.37 0.04 0.00 -0.93 -1.92 119.26 117.94 1itw h ALA 477 Ca 0.11 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1itw h ALA 477 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1itw h ALA 477 CO 0.05 0.38 -0.13 0.00 0.00 0.00 0.00 179.25 179.56 1itw h ARG 478 N 0.82 0.73 0.00 0.00 3.08 -1.06 0.33 114.38 118.28 1itw h ARG 478 Ca 0.20 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1itw h ARG 478 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1itw h ARG 478 CO -0.02 0.90 -0.33 0.00 -1.07 0.00 0.00 179.97 179.45 1itw h ALA 479 N 0.81 1.37 -0.00 0.04 0.00 -1.02 -3.24 119.26 117.21 1itw h ALA 479 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1itw h ALA 479 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1itw h ALA 479 CO 0.04 0.41 -0.35 0.25 0.00 0.00 0.00 179.25 179.60 1itw n THR 480 N -4.02 0.00 -3.84 0.00 -2.24 -0.74 -5.00 114.28 98.45 1itw n THR 480 Ca -0.02 -0.32 -0.24 0.00 -2.27 0.00 0.00 64.05 61.19 1itw n THR 480 Cb 0.38 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.00 -1.31 -4.25 3.42 5.15 0.11 -4.97 115.26 112.41 1itw n ASN 481 Ca 0.02 -0.89 -0.26 0.00 -0.60 0.00 0.00 54.58 52.85 1itw n ASN 481 Cb 0.14 -3.60 -0.14 0.00 -0.53 0.00 0.00 39.78 35.65 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 -3.72 1.67 0.46 -0.44 2.01 -1.17 -5.06 115.64 109.38 1itw s THR 482 Ca 0.11 -1.17 -0.25 0.00 0.31 0.00 0.00 61.69 60.68 1itw s THR 482 Cb -0.05 -1.44 -0.08 0.00 0.01 0.00 0.00 72.50 70.93 1itw s THR 482 CO 0.85 0.23 1.42 -2.84 -0.69 0.00 0.00 174.62 173.59 1itw s PRO 483 N -1.12 3.62 -0.07 4.92 0.02 -1.26 -4.65 135.00 136.47 1itw s PRO 483 Ca 0.07 2.40 0.05 0.00 0.02 0.00 0.00 61.00 63.55 1itw s PRO 483 Cb -0.09 -2.61 -0.01 0.00 0.02 0.00 0.00 34.50 31.82 1itw s PRO 483 CO 0.02 -0.86 -0.23 0.00 -0.33 0.00 0.00 177.00 175.59 1itw s ALA 484 N -1.21 2.03 -0.13 -1.55 0.00 0.25 -0.74 121.76 120.41 1itw s ALA 484 Ca 0.62 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1itw s ALA 484 Cb -0.43 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.02 1itw s ALA 484 CO 0.55 0.34 -0.17 0.08 0.00 0.00 0.00 175.76 176.57 1itw s VAL 485 N 0.06 1.69 -0.19 0.00 1.01 -0.23 -1.52 120.40 121.21 1itw s VAL 485 Ca -0.09 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 1itw s VAL 485 Cb -0.15 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1itw s VAL 485 CO 0.05 0.48 0.75 -0.36 0.00 0.00 0.00 175.10 176.02 1itw s PHE 486 N 1.05 3.38 -0.81 5.22 0.40 0.20 -0.80 117.98 126.62 1itw s PHE 486 Ca -0.04 1.10 -0.20 0.00 -0.60 0.00 0.00 56.93 57.19 1itw s PHE 486 Cb -0.15 -2.94 0.10 0.00 0.51 0.00 0.00 43.02 40.55 1itw s PHE 486 CO -0.04 -0.25 1.05 -1.58 0.70 0.00 0.00 175.22 175.10 1itw s TRP 487 N 2.20 2.92 -0.02 0.36 0.52 -0.33 -1.30 118.94 123.28 1itw s TRP 487 Ca 0.34 -1.02 0.00 0.00 0.02 0.00 0.00 56.10 55.44 1itw s TRP 487 Cb -0.16 -4.29 0.03 0.00 -1.15 0.00 0.00 33.47 27.90 1itw s TRP 487 CO 0.11 -1.56 0.01 -0.51 0.02 0.00 0.00 176.95 175.02 1itw s LEU 488 N 3.30 1.12 -0.40 2.99 1.43 0.06 -4.66 118.68 122.52 1itw s LEU 488 Ca 0.28 0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 53.19 1itw s LEU 488 Cb -0.10 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 45.98 1itw s LEU 488 CO -0.01 -0.11 0.55 -0.62 0.23 0.00 0.00 176.35 176.39 1itw s ASP 489 N 1.05 6.29 0.62 2.29 3.68 -1.26 -3.31 116.67 126.03 1itw s ASP 489 Ca -0.09 -0.31 0.33 0.00 2.13 0.00 0.00 52.55 54.61 1itw s ASP 489 Cb -0.13 -2.28 1.86 0.00 -1.45 0.00 0.00 42.92 40.92 1itw s ASP 489 CO -0.02 -0.63 2.15 -0.65 0.13 0.00 0.00 175.17 176.15 1itw h PRO 490 N 8.70 0.00 0.00 4.34 0.11 -1.95 -0.96 132.00 142.24 1itw h PRO 490 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1itw h PRO 490 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1itw h PRO 490 CO 0.83 0.00 -0.34 0.00 -0.21 0.00 0.00 178.00 178.28 1itw h ALA 491 N 1.77 0.95 -2.63 -0.75 0.00 -1.98 -3.42 119.26 113.20 1itw h ALA 491 Ca 0.04 -0.31 -0.55 0.00 0.00 0.00 0.00 54.91 54.09 1itw h ALA 491 Cb 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1itw h ALA 491 CO -0.00 0.42 0.17 1.03 0.00 0.00 0.00 179.25 180.87 1itw s ARG 492 N -3.52 4.48 0.32 0.00 0.52 -0.37 -4.95 118.95 115.44 1itw s ARG 492 Ca 0.01 1.05 0.01 0.00 -0.52 0.00 0.00 55.73 56.27 1itw s ARG 492 Cb 0.10 -3.42 0.54 0.00 0.52 0.00 0.00 34.95 32.69 1itw s ARG 492 CO 0.68 0.12 1.94 0.00 0.02 0.00 0.00 175.30 178.05 1itw h ALA 493 N 6.40 1.41 0.48 2.13 0.00 -1.84 -0.31 119.26 127.53 1itw h ALA 493 Ca -0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1itw h ALA 493 Cb 1.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1itw h ALA 493 CO 0.74 0.47 -0.23 1.25 0.00 0.00 0.00 179.25 181.48 1itw h HIS 494 N 0.83 -0.60 -0.91 0.00 -0.00 -1.89 -2.88 115.15 109.69 1itw h HIS 494 Ca 0.21 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.66 1itw h HIS 494 Cb 0.06 0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 27.60 1itw h HIS 494 CO 0.01 -0.28 0.59 -0.44 -0.00 0.00 0.00 177.93 177.81 1itw h ASP 495 N -0.92 0.84 -0.74 3.26 5.19 -1.75 -1.58 116.42 120.72 1itw h ASP 495 Ca -0.07 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1itw h ASP 495 Cb 0.59 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 1itw h ASP 495 CO 0.11 0.49 0.47 0.00 -3.12 0.00 0.00 179.24 177.19 1itw h ALA 496 N 1.54 0.96 -0.69 3.45 0.00 -1.02 0.25 119.26 123.75 1itw h ALA 496 Ca 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1itw h ALA 496 Cb 0.39 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1itw h ALA 496 CO -0.18 0.27 0.24 1.96 0.00 0.00 0.00 179.25 181.54 1itw h GLN 497 N 0.92 1.04 -0.25 0.00 1.08 -1.09 -2.28 115.11 114.53 1itw h GLN 497 Ca 0.29 -0.20 -0.13 0.00 -1.45 0.00 0.00 58.65 57.16 1itw h GLN 497 Cb -0.00 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 1itw h GLN 497 CO -0.10 0.88 -0.40 0.28 -0.95 0.00 0.00 178.83 178.53 1itw h VAL 498 N 1.01 1.30 -0.79 -0.54 2.07 -0.57 -2.94 116.25 115.79 1itw h VAL 498 Ca 0.23 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1itw h VAL 498 Cb 0.25 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1itw h VAL 498 CO -0.01 0.50 0.40 0.40 0.02 0.00 0.00 177.57 178.87 1itw h ILE 499 N 0.49 1.24 -0.72 4.57 2.04 -0.22 0.21 117.51 125.12 1itw h ILE 499 Ca 0.04 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1itw h ILE 499 Cb 0.91 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1itw h ILE 499 CO 0.08 0.28 0.46 0.00 0.00 0.00 0.00 178.15 178.97 1itw h ALA 500 N 1.21 0.93 -0.22 1.87 0.00 -1.25 0.25 119.26 122.04 1itw h ALA 500 Ca 0.27 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1itw h ALA 500 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1itw h ALA 500 CO -0.04 0.25 -0.09 0.87 0.00 0.00 0.00 179.25 180.24 1itw h LYS 501 N 0.90 0.45 -0.60 0.00 1.57 -1.27 -2.52 116.57 115.09 1itw h LYS 501 Ca 0.28 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1itw h LYS 501 Cb -0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1itw h LYS 501 CO -0.10 0.72 0.36 0.28 -0.57 0.00 0.00 179.45 180.15 1itw h VAL 502 N 0.16 1.18 -0.44 0.50 2.07 -0.61 0.34 116.25 119.45 1itw h VAL 502 Ca 0.05 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1itw h VAL 502 Cb 0.58 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1itw h VAL 502 CO 0.03 0.18 0.15 -0.33 0.02 0.00 0.00 177.57 177.62 1itw h GLU 503 N 0.82 0.63 -0.01 1.57 5.08 -0.95 -1.55 114.58 120.16 1itw h GLU 503 Ca 0.22 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1itw h GLU 503 Cb -0.02 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1itw h GLU 503 CO -0.04 0.54 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.18 1itw h ARG 504 N 0.62 0.18 0.00 2.33 9.65 -0.90 -3.33 114.38 122.93 1itw h ARG 504 Ca 0.15 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1itw h ARG 504 Cb 0.16 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1itw h ARG 504 CO -0.01 0.90 -0.03 1.88 2.80 0.00 0.00 179.97 185.51 1itw h TYR 505 N -0.47 0.00 0.00 2.20 0.99 -0.20 -2.27 116.97 117.22 1itw h TYR 505 Ca -0.03 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 1itw h TYR 505 Cb 0.98 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.70 1itw h TYR 505 CO 0.17 0.03 -0.28 -0.07 -0.00 0.00 0.00 178.16 178.01 1itw h LEU 506 N 0.00 0.00 0.00 3.88 3.38 -1.39 -1.86 115.31 119.32 1itw h LEU 506 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1itw h LEU 506 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1itw h LEU 506 CO 0.00 0.28 0.00 0.29 0.09 0.00 0.00 178.44 179.10 1itw n LYS 507 N -3.58 0.01 -0.03 1.13 5.02 -0.85 -2.15 118.16 117.71 1itw n LYS 507 Ca -0.01 0.22 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 1itw n LYS 507 Cb 0.42 -1.50 0.55 0.00 -0.02 0.00 0.00 35.03 34.47 1itw n LYS 507 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1itw n ASP 508 N -1.49 0.98 -4.19 4.39 8.00 -0.70 -4.88 116.55 118.66 1itw n ASP 508 Ca 0.04 -1.47 -0.16 0.00 0.71 0.00 0.00 54.79 53.91 1itw n ASP 508 Cb 0.19 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.93 1.15 -0.63 1.24 1.51 -0.91 -5.08 117.35 112.69 1itw s TYR 509 Ca 0.35 -0.61 -0.26 0.00 -1.01 0.00 0.00 57.07 55.54 1itw s TYR 509 Cb 0.18 -0.62 0.04 0.00 -0.11 0.00 0.00 41.96 41.45 1itw s TYR 509 CO 0.29 0.04 1.13 0.34 -1.11 0.00 0.00 175.55 176.24 1itw s ASP 510 N -2.37 6.30 -0.10 2.29 2.15 -1.26 -4.81 116.67 118.88 1itw s ASP 510 Ca 0.05 -0.30 0.19 0.00 0.43 0.00 0.00 52.55 52.92 1itw s ASP 510 Cb -0.04 -2.51 0.71 0.00 -0.30 0.00 0.00 42.92 40.77 1itw s ASP 510 CO 0.01 -1.53 1.61 0.35 -0.17 0.00 0.00 175.17 175.44 1itw n THR 511 N 6.38 1.69 -1.64 1.71 -2.24 -1.26 -4.97 114.28 113.95 1itw n THR 511 Ca 0.04 -1.13 -0.49 0.00 -2.27 0.00 0.00 64.05 60.19 1itw n THR 511 Cb 0.48 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 1itw n THR 511 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1itw n SER 512 N 1.20 2.50 0.00 3.42 2.88 -1.26 -0.64 113.62 121.73 1itw n SER 512 Ca 0.25 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 1itw n SER 512 Cb 0.85 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1itw n SER 512 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1itw n GLY 513 N 3.15 2.52 3.93 0.46 0.00 -1.26 -5.02 105.19 108.97 1itw n GLY 513 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 3.95 -0.43 0.99 1.43 0.19 -5.07 118.68 119.74 1itw s LEU 514 Ca 0.00 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1itw s LEU 514 Cb 0.00 -3.47 0.12 0.00 0.03 0.00 0.00 46.19 42.86 1itw s LEU 514 CO 0.00 -0.33 0.17 -0.62 0.23 0.00 0.00 176.35 175.80 1itw s ASP 515 N -3.87 4.73 -0.06 2.29 -1.08 -1.26 -5.06 116.67 112.36 1itw s ASP 515 Ca 0.42 -2.47 0.04 0.00 -0.52 0.00 0.00 52.55 50.02 1itw s ASP 515 Cb -0.10 -1.68 -0.00 0.00 -1.46 0.00 0.00 42.92 39.68 1itw s ASP 515 CO 0.37 -0.35 -0.20 -0.63 0.52 0.00 0.00 175.17 174.88 1itw s ILE 516 N 0.47 1.66 0.18 4.11 1.01 -1.26 -0.58 121.20 126.78 1itw s ILE 516 Ca 0.13 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 1itw s ILE 516 Cb -0.22 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 1itw s ILE 516 CO -0.05 0.47 0.27 0.00 0.00 0.00 0.00 174.94 175.64 1itw s ARG 517 N 0.15 1.20 -0.16 2.79 1.70 -0.58 -4.99 118.95 119.07 1itw s ARG 517 Ca -0.09 -1.27 0.01 0.00 -0.47 0.00 0.00 55.73 53.92 1itw s ARG 517 Cb -0.14 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.62 1itw s ARG 517 CO 0.04 -0.44 -0.20 0.42 -1.08 0.00 0.00 175.30 174.04 1itw s ILE 518 N -4.01 2.10 0.09 4.99 1.01 -1.26 -0.63 121.20 123.50 1itw s ILE 518 Ca 0.21 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1itw s ILE 518 Cb 0.03 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1itw s ILE 518 CO 0.03 0.54 -0.09 -0.76 0.00 0.00 0.00 174.94 174.66 1itw s LEU 519 N 1.10 2.43 0.75 2.97 1.43 -0.42 -4.95 118.68 121.99 1itw s LEU 519 Ca 0.00 -0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 1itw s LEU 519 Cb -0.14 -0.22 0.05 0.00 0.03 0.00 0.00 46.19 45.91 1itw s LEU 519 CO -0.08 -0.32 1.12 -0.94 0.23 0.00 0.00 176.35 176.35 1itw s SER 520 N -2.58 4.44 0.24 2.29 1.04 -1.21 -0.77 113.70 117.16 1itw s SER 520 Ca 0.06 2.00 -0.05 0.00 0.48 0.00 0.00 55.95 58.44 1itw s SER 520 Cb -0.01 -2.55 0.45 0.00 0.10 0.00 0.00 66.02 64.01 1itw s SER 520 CO -0.01 -2.08 1.71 -0.65 0.98 0.00 0.00 173.24 173.18 1itw h PRO 521 N -0.76 0.34 -0.13 4.02 0.11 -1.84 0.32 132.00 134.05 1itw h PRO 521 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1itw h PRO 521 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1itw h PRO 521 CO 0.51 0.22 0.06 0.28 -0.21 0.00 0.00 178.00 178.86 1itw h VAL 522 N 0.35 1.12 -0.29 3.15 2.07 -1.90 0.09 116.25 120.83 1itw h VAL 522 Ca 0.41 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1itw h VAL 522 Cb 0.66 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1itw h VAL 522 CO -0.45 0.11 -0.20 -0.33 0.02 0.00 0.00 177.57 176.72 1itw h GLU 523 N 0.08 0.54 -0.39 1.57 4.39 -1.73 -1.92 114.58 117.13 1itw h GLU 523 Ca 0.04 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 1itw h GLU 523 Cb 0.12 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1itw h GLU 523 CO -0.01 0.71 -0.20 0.00 -1.16 0.00 0.00 179.01 178.36 1itw h ALA 524 N 1.30 0.92 -0.15 3.43 0.00 -0.18 -1.13 119.26 123.45 1itw h ALA 524 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1itw h ALA 524 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1itw h ALA 524 CO 0.04 0.62 0.04 1.15 0.00 0.00 0.00 179.25 181.10 1itw h THR 525 N 0.66 1.20 -0.05 0.00 2.02 -0.65 -0.61 112.91 115.47 1itw h THR 525 Ca 0.10 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1itw h THR 525 Cb 0.69 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1itw h THR 525 CO 0.05 0.19 -0.08 0.03 0.37 0.00 0.00 175.52 176.09 1itw h ARG 526 N 0.05 -0.11 -0.29 6.66 3.08 -1.19 0.79 114.38 123.36 1itw h ARG 526 Ca 0.05 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1itw h ARG 526 Cb 0.27 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1itw h ARG 526 CO 0.00 -0.07 0.07 0.35 -1.07 0.00 0.00 179.97 179.25 1itw h PHE 527 N -0.12 0.12 -0.52 3.04 3.57 -1.14 -0.33 116.94 121.55 1itw h PHE 527 Ca 0.05 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1itw h PHE 527 Cb 0.18 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1itw h PHE 527 CO -0.17 0.04 -0.02 0.77 -2.23 0.00 0.00 178.31 176.70 1itw h SER 528 N 0.18 0.88 0.34 0.41 0.02 -0.84 -2.34 113.55 112.20 1itw h SER 528 Ca 0.14 -0.23 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 1itw h SER 528 Cb 0.13 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1itw h SER 528 CO -0.17 0.95 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.74 1itw h LEU 529 N 0.83 0.34 -0.49 5.07 3.38 -0.56 0.62 115.31 124.50 1itw h LEU 529 Ca 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1itw h LEU 529 Cb 0.52 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1itw h LEU 529 CO 0.03 0.91 0.20 0.00 0.09 0.00 0.00 178.44 179.66 1itw h ALA 530 N 1.09 0.63 -0.26 1.53 0.00 -0.88 -2.17 119.26 119.19 1itw h ALA 530 Ca -0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1itw h ALA 530 Cb 1.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1itw h ALA 530 CO 0.11 0.24 -0.47 0.00 0.00 0.00 0.00 179.25 179.13 1itw h ARG 531 N 0.65 0.78 -0.63 0.00 3.08 -1.32 -3.15 114.38 113.80 1itw h ARG 531 Ca 0.16 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1itw h ARG 531 Cb 0.19 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1itw h ARG 531 CO -0.01 1.12 0.31 0.97 -1.07 0.00 0.00 179.97 181.28 1itw h ILE 532 N 0.53 1.20 0.00 2.04 2.10 -0.72 0.23 117.51 122.89 1itw h ILE 532 Ca 0.02 -0.56 -0.02 0.00 1.08 0.00 0.00 64.86 65.37 1itw h ILE 532 Cb 1.07 0.40 -0.00 0.00 -1.09 0.00 0.00 36.82 37.20 1itw h ILE 532 CO 0.11 0.24 -0.08 0.03 -1.08 0.00 0.00 178.15 177.37 1itw h ARG 533 N 0.88 0.00 -0.01 2.19 3.08 -1.44 0.15 114.38 119.23 1itw h ARG 533 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1itw h ARG 533 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1itw h ARG 533 CO -0.03 0.08 -0.00 0.39 -1.07 0.00 0.00 179.97 179.34 1itw n GLU 534 N -3.17 1.43 -0.86 0.04 1.02 -0.54 -4.80 120.64 113.77 1itw n GLU 534 Ca 0.01 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1itw n GLU 534 Cb 0.41 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 1.12 0.49 3.77 0.62 0.00 -0.78 -4.92 105.19 105.49 1itw n GLY 535 Ca 0.21 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.72 2.85 0.11 1.61 1.02 0.69 -4.28 119.74 120.02 1itw s LYS 536 Ca 0.00 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.16 1itw s LYS 536 Cb 0.00 -2.66 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1itw s LYS 536 CO 0.00 0.52 0.33 -0.51 -0.92 0.00 0.00 175.35 174.77 1itw s ASP 537 N -2.72 6.46 -0.10 2.83 1.01 -1.26 -3.34 116.67 119.56 1itw s ASP 537 Ca 0.30 0.52 -0.04 0.00 0.71 0.00 0.00 52.55 54.03 1itw s ASP 537 Cb -0.11 -2.06 0.05 0.00 1.01 0.00 0.00 42.92 41.81 1itw s ASP 537 CO 0.22 0.10 0.21 -0.89 0.21 0.00 0.00 175.17 175.02 1itw s THR 538 N -1.58 -0.27 0.03 -1.27 2.01 -0.50 -4.42 115.64 109.64 1itw s THR 538 Ca 0.38 0.28 -0.28 0.00 0.31 0.00 0.00 61.69 62.38 1itw s THR 538 Cb -0.12 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1itw s THR 538 CO 0.24 0.12 0.89 -0.63 -0.69 0.00 0.00 174.62 174.55 1itw s ILE 539 N 2.09 4.78 -0.21 1.82 1.01 0.08 -3.60 121.20 127.16 1itw s ILE 539 Ca -0.01 1.89 -0.09 0.00 0.00 0.00 0.00 60.65 62.44 1itw s ILE 539 Cb -0.12 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1itw s ILE 539 CO -0.07 0.25 0.12 -0.94 0.00 0.00 0.00 174.94 174.30 1itw s SER 540 N 0.52 5.98 -0.29 3.58 1.04 -0.43 -1.07 113.70 123.02 1itw s SER 540 Ca 0.46 0.13 -0.00 0.00 0.48 0.00 0.00 55.95 57.02 1itw s SER 540 Cb -0.21 -2.05 0.06 0.00 0.10 0.00 0.00 66.02 63.91 1itw s SER 540 CO 0.26 0.13 -0.03 -0.69 0.98 0.00 0.00 173.24 173.89 1itw s VAL 541 N 0.66 2.72 0.31 5.02 1.01 0.02 -0.38 120.40 129.75 1itw s VAL 541 Ca 0.06 -1.51 0.04 0.00 0.00 0.00 0.00 61.98 60.58 1itw s VAL 541 Cb -0.12 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1itw s VAL 541 CO 0.01 -0.11 0.18 0.42 0.00 0.00 0.00 175.10 175.60 1itw s THR 542 N 1.19 0.25 0.86 3.92 -4.23 -0.60 -1.19 115.64 115.86 1itw s THR 542 Ca -0.06 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 1itw s THR 542 Cb -0.20 -2.49 0.21 0.00 1.34 0.00 0.00 72.50 71.36 1itw s THR 542 CO -0.03 0.00 0.89 0.61 -0.54 0.00 0.00 174.62 175.55 1itw n GLY 543 N -0.59 -2.26 0.10 3.99 0.00 -1.26 -1.10 105.19 104.06 1itw n GLY 543 Ca 0.02 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.97 0.07 -0.25 1.61 -0.73 -1.65 -1.46 115.58 111.20 1itw h ASN 544 Ca -0.32 0.02 -0.06 0.00 1.87 0.00 0.00 56.30 57.81 1itw h ASN 544 Cb 0.93 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.52 1itw h ASN 544 CO 0.21 0.07 -0.09 0.58 -0.37 0.00 0.00 177.43 177.83 1itw h VAL 545 N 0.15 1.29 0.00 2.57 2.07 -1.91 -2.44 116.25 117.98 1itw h VAL 545 Ca 0.08 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1itw h VAL 545 Cb 0.05 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1itw h VAL 545 CO -0.08 0.36 -0.22 -0.07 0.02 0.00 0.00 177.57 177.58 1itw h LEU 546 N 0.24 0.00 0.00 2.57 3.38 -1.92 -0.26 115.31 119.33 1itw h LEU 546 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1itw h LEU 546 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1itw h LEU 546 CO 0.03 0.22 -0.01 -0.09 0.09 0.00 0.00 178.44 178.68 1itw h ARG 547 N 0.00 -0.03 0.17 1.13 2.43 -1.04 0.14 114.38 117.18 1itw h ARG 547 Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1itw h ARG 547 Cb 0.39 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1itw h ARG 547 CO 0.03 -0.02 -0.20 0.22 -1.51 0.00 0.00 179.97 178.49 1itw h ASP 548 N -0.03 -0.56 -0.04 -3.80 -0.00 -0.77 -1.94 116.42 109.28 1itw h ASP 548 Ca 0.01 0.06 -0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1itw h ASP 548 Cb 0.03 0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 39.56 1itw h ASP 548 CO -0.01 -0.30 0.02 1.88 -0.00 0.00 0.00 179.24 180.83 1itw h TYR 549 N -0.42 0.06 0.00 0.28 0.99 -0.91 -3.21 116.97 113.76 1itw h TYR 549 Ca 0.01 -0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.65 1itw h TYR 549 Cb 0.41 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 38.11 1itw h TYR 549 CO -0.17 0.16 -0.42 -0.07 -0.00 0.00 0.00 178.16 177.67 1itw h LEU 550 N -0.06 0.00 -0.08 3.88 3.38 -0.75 -1.09 115.31 120.59 1itw h LEU 550 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1itw h LEU 550 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1itw h LEU 550 CO -0.00 0.42 -0.00 0.35 0.09 0.00 0.00 178.44 179.30 1itw n THR 551 N -3.85 0.00 -0.08 0.22 -2.24 -0.73 -2.38 114.28 105.22 1itw n THR 551 Ca -0.01 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 1itw n THR 551 Cb 0.47 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.90 1.63 0.14 3.42 2.03 -1.08 -4.47 116.55 117.32 1itw n ASP 552 Ca 0.24 0.11 -0.16 0.00 0.52 0.00 0.00 54.79 55.49 1itw n ASP 552 Cb 0.13 -0.39 -0.10 0.00 -0.72 0.00 0.00 41.12 40.05 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 -0.39 -1.53 -0.51 -2.67 5.85 -1.19 -1.90 115.31 112.97 1itw h LEU 553 Ca -0.37 0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 1itw h LEU 553 Cb 1.39 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.97 1itw h LEU 553 CO -0.18 -0.57 -0.34 -0.26 -0.34 0.00 0.00 178.44 176.75 1itw h PHE 554 N -0.78 0.99 -0.20 1.25 -1.00 -1.74 -2.54 116.94 112.93 1itw h PHE 554 Ca -0.01 -0.28 -0.05 0.00 2.81 0.00 0.00 57.97 60.44 1itw h PHE 554 Cb 0.77 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 1itw h PHE 554 CO -0.42 1.06 -0.10 -1.35 -1.61 0.00 0.00 178.31 175.89 1itw h PRO 555 N 0.70 0.32 -0.18 1.51 0.11 -1.77 0.19 132.00 132.88 1itw h PRO 555 Ca 0.07 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1itw h PRO 555 Cb 0.90 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1itw h PRO 555 CO 0.08 0.43 0.02 0.82 -0.21 0.00 0.00 178.00 179.14 1itw h ILE 556 N 0.30 1.23 0.02 4.15 1.08 -1.21 0.53 117.51 123.61 1itw h ILE 556 Ca 0.06 -0.77 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1itw h ILE 556 Cb 0.37 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 1itw h ILE 556 CO 0.02 0.23 -0.01 0.24 -0.69 0.00 0.00 178.15 177.95 1itw h MET 557 N 0.08 -0.02 -0.27 2.37 2.86 -1.07 0.24 114.93 119.12 1itw h MET 557 Ca 0.05 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.51 1itw h MET 557 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1itw h MET 557 CO 0.01 0.29 -0.57 0.93 1.06 0.00 0.00 176.91 178.63 1itw h GLU 558 N -0.33 0.83 0.00 1.72 5.08 -0.66 -3.39 114.58 117.83 1itw h GLU 558 Ca -0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1itw h GLU 558 Cb 0.32 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1itw h GLU 558 CO 0.00 1.17 -0.36 1.28 -1.00 0.00 0.00 179.01 180.10 1itw n LEU 559 N -3.99 0.04 0.00 1.33 4.77 0.18 -4.81 117.00 114.52 1itw n LEU 559 Ca -0.04 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1itw n LEU 559 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1itw n LEU 559 CO 0.50 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1itw n GLY 560 N 1.46 0.91 3.47 -0.72 0.00 0.83 -4.85 105.19 106.29 1itw n GLY 560 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.64 0.00 -0.87 2.61 -1.32 -1.20 -4.87 115.64 106.35 1itw s THR 561 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1itw s THR 561 Cb 0.00 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.13 1itw s THR 561 CO 0.00 0.00 0.97 -1.54 -2.21 0.00 0.00 174.62 171.84 1itw n SER 562 N -0.27 2.17 -0.42 8.08 3.41 -1.26 -4.08 113.62 121.25 1itw n SER 562 Ca -0.12 -1.66 0.07 0.00 -0.26 0.00 0.00 58.87 56.91 1itw n SER 562 Cb 0.63 -0.08 0.29 0.00 -0.26 0.00 0.00 64.21 64.78 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 0.37 2.51 -3.13 7.33 0.00 -1.26 -4.25 120.51 122.07 1itw n ALA 563 Ca 0.07 -0.42 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 1itw n ALA 563 Cb 0.29 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 1itw n ALA 563 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1itw n LYS 564 N 0.10 1.98 -3.95 0.00 5.02 -1.26 -4.07 118.16 115.98 1itw n LYS 564 Ca 0.12 -4.08 -0.11 0.00 -2.02 0.00 0.00 58.31 52.23 1itw n LYS 564 Cb 0.23 -1.91 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 1itw n LYS 564 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1itw s MET 565 N -2.65 1.91 0.00 1.97 0.23 -1.26 -4.65 119.30 114.85 1itw s MET 565 Ca 0.43 -1.45 -0.14 0.00 -1.03 0.00 0.00 55.69 53.50 1itw s MET 565 Cb 0.27 0.53 -0.06 0.00 -1.53 0.00 0.00 34.83 34.04 1itw s MET 565 CO -0.10 -0.84 0.39 -0.51 -2.03 0.00 0.00 175.02 171.93 1itw s LEU 566 N -3.10 4.46 -0.40 0.18 1.43 0.05 -4.84 118.68 116.45 1itw s LEU 566 Ca 0.22 0.91 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 1itw s LEU 566 Cb -0.03 -2.60 0.17 0.00 0.03 0.00 0.00 46.19 43.76 1itw s LEU 566 CO 0.13 0.31 0.32 -0.55 0.23 0.00 0.00 176.35 176.80 1itw s SER 567 N -1.16 1.60 -0.09 2.29 0.15 -1.25 -1.96 113.70 113.28 1itw s SER 567 Ca 0.24 -2.95 -0.18 0.00 0.70 0.00 0.00 55.95 53.76 1itw s SER 567 Cb -0.16 -0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 63.68 1itw s SER 567 CO 0.13 -0.19 0.48 -0.63 1.20 0.00 0.00 173.24 174.24 1itw s ILE 568 N 0.19 5.14 -0.45 6.45 1.01 0.08 -1.36 121.20 132.26 1itw s ILE 568 Ca 0.31 0.97 0.04 0.00 0.00 0.00 0.00 60.65 61.97 1itw s ILE 568 Cb 0.00 -3.82 0.12 0.00 0.01 0.00 0.00 42.46 38.78 1itw s ILE 568 CO -0.17 0.37 0.19 -0.69 0.00 0.00 0.00 174.94 174.64 1itw s VAL 569 N 0.32 2.35 -0.41 2.92 1.01 0.24 -0.59 120.40 126.23 1itw s VAL 569 Ca 0.26 -2.92 -0.28 0.00 0.00 0.00 0.00 61.98 59.05 1itw s VAL 569 Cb -0.16 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1itw s VAL 569 CO 0.11 -0.74 1.77 -2.84 0.00 0.00 0.00 175.10 173.40 1itw s PRO 570 N 0.17 3.18 0.30 2.72 0.02 -1.24 -2.00 135.00 138.16 1itw s PRO 570 Ca 0.15 1.17 -0.29 0.00 0.02 0.00 0.00 61.00 62.05 1itw s PRO 570 Cb -0.24 -4.23 -0.10 0.00 0.02 0.00 0.00 34.50 29.96 1itw s PRO 570 CO -0.03 -2.04 1.39 -0.51 -0.33 0.00 0.00 177.00 175.47 1itw s LEU 571 N 7.28 4.40 0.60 -5.54 1.43 -0.45 -3.83 118.68 122.56 1itw s LEU 571 Ca 0.75 2.73 0.31 0.00 -1.03 0.00 0.00 54.13 56.89 1itw s LEU 571 Cb -0.19 -3.64 1.88 0.00 0.03 0.00 0.00 46.19 44.27 1itw s LEU 571 CO 0.30 -0.65 2.26 0.24 0.23 0.00 0.00 176.35 178.74 1itw h MET 572 N 4.01 0.00 0.00 1.70 2.86 -1.72 0.11 114.93 121.89 1itw h MET 572 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1itw h MET 572 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1itw h MET 572 CO 0.70 0.00 0.00 0.43 1.06 0.00 0.00 176.91 179.10 1itw n SER 573 N -3.78 0.00 0.00 1.22 7.64 -1.26 -4.86 113.62 112.59 1itw n SER 573 Ca -0.03 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1itw n SER 573 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.85 0.34 1.30 0.23 0.00 0.38 -3.29 105.19 105.00 1itw n GLY 574 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 -0.49 2.92 -0.02 0.00 -1.23 -4.84 105.19 99.53 1itw n GLY 575 Ca 0.00 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.72 0.34 -0.12 -0.02 0.00 0.72 -1.34 107.32 103.18 1itw s GLY 576 Ca 0.24 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.88 1itw s GLY 576 CO 0.17 0.14 -0.21 -2.27 0.00 0.00 0.00 173.10 170.93 1itw s LEU 577 N 0.41 2.03 -0.25 0.66 2.96 -0.84 -0.54 118.68 123.12 1itw s LEU 577 Ca -0.05 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1itw s LEU 577 Cb -0.09 -1.36 0.06 0.00 0.50 0.00 0.00 46.19 45.30 1itw s LEU 577 CO -0.00 0.09 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.69 1itw s PHE 578 N 0.70 2.71 -0.25 5.38 0.40 0.16 -0.59 117.98 126.48 1itw s PHE 578 Ca -0.11 -1.97 -0.22 0.00 -0.60 0.00 0.00 56.93 54.03 1itw s PHE 578 Cb -0.16 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 1itw s PHE 578 CO 0.01 -0.81 0.69 -1.21 0.70 0.00 0.00 175.22 174.60 1itw s GLU 579 N 1.29 4.12 0.40 0.44 2.02 -0.47 -0.72 118.70 125.79 1itw s GLU 579 Ca -0.06 0.66 0.28 0.00 0.02 0.00 0.00 54.97 55.86 1itw s GLU 579 Cb -0.19 -3.65 0.96 0.00 0.10 0.00 0.00 34.13 31.35 1itw s GLU 579 CO -0.06 -0.46 1.80 1.79 0.02 0.00 0.00 175.26 178.36 1itw h THR 580 N 5.43 0.00 -1.90 3.63 1.35 -1.25 -3.31 112.91 116.85 1itw h THR 580 Ca -0.26 -0.55 0.04 0.00 -0.55 0.00 0.00 66.41 65.09 1itw h THR 580 Cb 1.11 1.49 -0.20 0.00 -1.73 0.00 0.00 68.15 68.82 1itw h THR 580 CO 0.81 0.00 0.41 -0.83 -0.25 0.00 0.00 175.52 175.66 1itw s GLY 581 N -3.94 -0.42 0.00 5.82 0.00 -1.26 -4.34 107.32 103.18 1itw s GLY 581 Ca 0.05 1.55 0.20 0.00 0.00 0.00 0.00 44.72 46.52 1itw s GLY 581 CO 0.54 0.84 1.11 0.00 0.00 0.00 0.00 173.10 175.59 1itw n ALA 582 N 0.55 2.62 -2.01 3.20 0.00 -1.26 -4.49 120.51 119.12 1itw n ALA 582 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1itw n ALA 582 Cb 0.59 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 1.16 1.95 2.54 0.00 0.00 -1.26 -5.12 105.19 104.46 1itw n GLY 583 Ca 0.11 -2.01 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.39 1.27 -0.02 0.00 -1.26 -4.57 105.19 105.22 1itw n GLY 584 Ca 0.00 -1.84 0.07 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.26 3.72 -3.31 1.61 3.41 -1.26 -4.82 113.62 109.71 1itw n SER 585 Ca 0.11 -2.32 -0.15 0.00 -0.26 0.00 0.00 58.87 56.25 1itw n SER 585 Cb 0.38 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.84 -2.66 -0.25 7.33 0.00 -1.26 -1.66 120.51 122.85 1itw n ALA 586 Ca 0.20 0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.91 1itw n ALA 586 Cb 0.70 -1.82 0.32 0.00 0.00 0.00 0.00 19.45 18.64 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 0.79 0.81 -0.06 0.00 0.11 -1.99 -1.03 132.00 130.64 1itw h PRO 587 Ca -0.28 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 1itw h PRO 587 Cb 1.18 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1itw h PRO 587 CO 0.29 0.54 -0.19 0.87 -0.21 0.00 0.00 178.00 179.30 1itw h LYS 588 N 0.84 0.09 -0.60 1.05 1.57 -1.99 0.35 116.57 117.88 1itw h LYS 588 Ca 0.38 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.05 1itw h LYS 588 Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1itw h LYS 588 CO -0.15 0.28 0.03 0.45 -0.57 0.00 0.00 179.45 179.49 1itw h HIS 589 N 0.09 1.12 -0.30 -1.35 3.86 -1.53 -2.05 115.15 114.99 1itw h HIS 589 Ca 0.02 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 58.98 1itw h HIS 589 Cb 0.39 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1itw h HIS 589 CO 0.00 0.99 -0.07 0.28 0.86 0.00 0.00 177.93 179.99 1itw h VAL 590 N 0.93 1.28 -0.44 2.45 2.07 -1.15 -2.21 116.25 119.19 1itw h VAL 590 Ca 0.17 -1.09 0.09 0.00 0.82 0.00 0.00 66.70 66.68 1itw h VAL 590 Cb 0.52 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 1itw h VAL 590 CO 0.03 0.35 -0.08 -0.61 0.02 0.00 0.00 177.57 177.27 1itw h GLN 591 N 0.34 0.02 -0.48 1.57 4.15 -0.76 0.33 115.11 120.28 1itw h GLN 591 Ca 0.08 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1itw h GLN 591 Cb 0.55 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1itw h GLN 591 CO 0.03 0.02 0.16 0.37 -1.93 0.00 0.00 178.83 177.47 1itw h GLN 592 N 0.02 0.70 -0.45 1.69 4.15 -1.27 -0.81 115.11 119.15 1itw h GLN 592 Ca 0.21 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.43 1itw h GLN 592 Cb 0.32 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1itw h GLN 592 CO -0.43 0.61 -0.08 0.35 -1.93 0.00 0.00 178.83 177.35 1itw h PHE 593 N 0.69 0.95 0.00 3.99 3.57 -0.49 0.63 116.94 126.28 1itw h PHE 593 Ca 0.16 -0.20 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 1itw h PHE 593 Cb 0.20 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1itw h PHE 593 CO 0.01 0.94 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.32 1itw h LEU 594 N 0.69 0.00 0.15 0.59 3.38 -0.72 0.18 115.31 119.58 1itw h LEU 594 Ca 0.12 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.77 1itw h LEU 594 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1itw h LEU 594 CO 0.04 0.63 -1.58 -0.33 0.09 0.00 0.00 178.44 177.30 1itw h GLU 595 N 0.00 0.33 0.00 1.13 5.08 -1.04 0.11 114.58 120.18 1itw h GLU 595 Ca -0.01 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1itw h GLU 595 Cb 1.18 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1itw h GLU 595 CO 0.08 1.22 -0.40 -0.85 -1.00 0.00 0.00 179.01 178.06 1itw n GLU 596 N -3.53 0.04 -3.80 2.33 0.28 0.20 -3.65 120.64 112.51 1itw n GLU 596 Ca -0.18 -0.95 -0.28 0.00 -0.16 0.00 0.00 57.16 55.59 1itw n GLU 596 Cb 1.06 -0.52 0.05 0.00 1.43 0.00 0.00 31.44 33.45 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 -0.03 -0.52 2.93 -1.84 0.00 0.62 -0.12 105.19 106.24 1itw n GLY 597 Ca 0.00 0.22 -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 -3.31 1.55 -0.31 1.61 5.04 -1.24 -4.24 117.35 116.44 1itw s TYR 598 Ca 0.64 -0.76 -0.06 0.00 -2.44 0.00 0.00 57.07 54.44 1itw s TYR 598 Cb -0.31 -1.25 0.02 0.00 0.35 0.00 0.00 41.96 40.78 1itw s TYR 598 CO 0.79 -0.50 0.09 -1.17 -1.34 0.00 0.00 175.55 173.42 1itw s LEU 599 N 1.55 4.02 0.00 6.97 2.96 -1.26 -2.77 118.68 130.14 1itw s LEU 599 Ca 0.02 -0.89 0.22 0.00 -0.22 0.00 0.00 54.13 53.27 1itw s LEU 599 Cb -0.13 -1.87 0.71 0.00 0.50 0.00 0.00 46.19 45.40 1itw s LEU 599 CO -0.07 -0.25 1.54 -2.11 -1.32 0.00 0.00 176.35 174.14 1itw n ARG 600 N 4.84 1.87 -1.67 1.98 1.85 -1.26 -0.48 116.66 123.79 1itw n ARG 600 Ca -0.14 -1.30 -0.46 0.00 -1.00 0.00 0.00 57.85 54.96 1itw n ARG 600 Cb 0.47 -1.43 -0.04 0.00 -1.05 0.00 0.00 32.46 30.41 1itw n ARG 600 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49 1itw n TRP 601 N 0.53 2.27 -3.25 2.89 -0.00 -1.26 -4.81 117.44 113.80 1itw n TRP 601 Ca 0.17 0.28 -0.40 0.00 -0.00 0.00 0.00 57.50 57.55 1itw n TRP 601 Cb 0.39 -2.54 -0.08 0.00 -0.00 0.00 0.00 31.31 29.08 1itw n TRP 601 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1itw s ASP 602 N 0.85 6.37 -0.02 5.87 -1.08 -1.26 -4.43 116.67 122.96 1itw s ASP 602 Ca 0.78 0.29 0.13 0.00 -0.52 0.00 0.00 52.55 53.23 1itw s ASP 602 Cb -0.68 -2.27 0.41 0.00 -1.46 0.00 0.00 42.92 38.93 1itw s ASP 602 CO 0.39 -0.35 1.32 -1.20 0.52 0.00 0.00 175.17 175.85 1itw n SER 603 N 5.60 2.61 -0.32 -0.34 7.64 -1.26 -4.44 113.62 123.11 1itw n SER 603 Ca -0.05 -2.08 0.09 0.00 1.01 0.00 0.00 58.87 57.84 1itw n SER 603 Cb 0.50 -0.35 0.26 0.00 -1.01 0.00 0.00 64.21 63.61 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 2.59 0.64 -1.25 -3.43 5.85 -1.93 0.10 115.31 117.89 1itw h LEU 604 Ca 0.00 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1itw h LEU 604 Cb 0.72 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1itw h LEU 604 CO 0.04 0.25 0.54 1.23 -0.34 0.00 0.00 178.44 180.16 1itw h GLY 605 N 0.69 1.16 1.09 3.75 0.00 -1.76 -0.83 103.07 107.17 1itw h GLY 605 Ca 0.51 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 47.32 1itw h GLY 605 CO -0.37 0.28 -0.35 0.83 0.00 0.00 0.00 176.54 176.94 1itw h GLU 606 N 0.92 0.88 -0.57 4.80 5.08 -1.03 -1.34 114.58 123.33 1itw h GLU 606 Ca 0.35 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1itw h GLU 606 Cb 0.19 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1itw h GLU 606 CO -0.12 1.11 0.35 0.74 -1.00 0.00 0.00 179.01 180.09 1itw h PHE 607 N 0.69 0.75 -0.34 4.33 0.04 -0.50 -0.04 116.94 121.86 1itw h PHE 607 Ca 0.06 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 1itw h PHE 607 Cb 0.93 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 1itw h PHE 607 CO 0.07 0.50 0.08 -0.07 -0.60 0.00 0.00 178.31 178.29 1itw h LEU 608 N 0.77 0.52 -0.66 1.54 3.38 -1.11 -2.46 115.31 117.29 1itw h LEU 608 Ca 0.21 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1itw h LEU 608 Cb -0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1itw h LEU 608 CO -0.04 0.62 0.24 0.00 0.09 0.00 0.00 178.44 179.34 1itw h ALA 609 N 0.92 0.87 -0.61 1.53 0.00 -1.02 -2.27 119.26 118.68 1itw h ALA 609 Ca 0.11 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1itw h ALA 609 Cb 0.30 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1itw h ALA 609 CO 0.00 0.51 0.39 1.25 0.00 0.00 0.00 179.25 181.41 1itw h LEU 610 N 0.95 0.65 -0.41 0.00 5.85 -0.88 0.24 115.31 121.72 1itw h LEU 610 Ca 0.22 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1itw h LEU 610 Cb 0.25 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1itw h LEU 610 CO -0.01 0.46 0.25 0.00 -0.34 0.00 0.00 178.44 178.81 1itw h ALA 611 N 1.25 0.52 -0.82 1.25 0.00 -1.23 0.24 119.26 120.47 1itw h ALA 611 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1itw h ALA 611 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1itw h ALA 611 CO -0.08 -0.00 0.44 0.00 0.00 0.00 0.00 179.25 179.62 1itw h ALA 612 N 1.12 1.05 -0.27 0.00 0.00 -0.83 -0.63 119.26 119.70 1itw h ALA 612 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1itw h ALA 612 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1itw h ALA 612 CO -0.03 0.57 0.06 1.03 0.00 0.00 0.00 179.25 180.87 1itw h SER 613 N 1.14 0.41 -0.72 0.00 0.87 -0.05 -1.21 113.55 114.01 1itw h SER 613 Ca 0.29 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1itw h SER 613 Cb 0.04 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1itw h SER 613 CO -0.05 0.55 0.40 -0.07 -0.53 0.00 0.00 176.83 177.14 1itw h LEU 614 N 0.26 0.89 -0.44 2.23 3.38 -0.22 -1.05 115.31 120.36 1itw h LEU 614 Ca 0.08 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1itw h LEU 614 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1itw h LEU 614 CO 0.00 0.72 0.04 -0.08 0.09 0.00 0.00 178.44 179.22 1itw h GLU 615 N 0.99 0.75 -0.15 1.13 4.81 -1.02 0.88 114.58 121.97 1itw h GLU 615 Ca 0.25 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1itw h GLU 615 Cb 0.02 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1itw h GLU 615 CO -0.04 0.79 -0.05 1.25 -0.73 0.00 0.00 179.01 180.23 1itw h HIS 616 N 0.60 -0.10 -0.58 0.92 2.76 -0.91 0.36 115.15 118.20 1itw h HIS 616 Ca 0.13 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1itw h HIS 616 Cb 0.43 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 1itw h HIS 616 CO 0.03 -0.08 0.36 1.25 -1.30 0.00 0.00 177.93 178.20 1itw h LEU 617 N -0.02 0.68 -0.30 0.26 6.46 -1.02 0.55 115.31 121.91 1itw h LEU 617 Ca 0.07 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 1itw h LEU 617 Cb 0.13 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 1itw h LEU 617 CO -0.16 0.52 0.04 1.23 -0.62 0.00 0.00 178.44 179.45 1itw h GLY 618 N 0.78 0.33 0.99 3.75 0.00 -0.15 -1.02 103.07 107.75 1itw h GLY 618 Ca 0.21 -0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.41 1itw h GLY 618 CO -0.04 -0.03 -0.27 3.43 0.00 0.00 0.00 176.54 179.62 1itw h ASN 619 N 0.15 0.79 -0.65 0.19 2.35 -0.62 0.33 115.58 118.12 1itw h ASN 619 Ca 0.14 -0.46 -0.07 0.00 -0.55 0.00 0.00 56.30 55.37 1itw h ASN 619 Cb 0.17 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1itw h ASN 619 CO -0.20 1.08 0.15 0.00 -1.65 0.00 0.00 177.43 176.81 1itw h ALA 620 N 0.73 1.01 -0.43 -0.83 0.00 -0.69 -3.17 119.26 115.88 1itw h ALA 620 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1itw h ALA 620 Cb 0.84 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1itw h ALA 620 CO 0.07 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.62 1itw n TYR 621 N -4.23 0.57 -3.90 0.00 4.02 -0.40 -4.97 117.16 108.24 1itw n TYR 621 Ca 0.05 -0.46 -0.26 0.00 -0.01 0.00 0.00 57.90 57.21 1itw n TYR 621 Cb 0.26 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 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 0.85 -4.26 -3.38 -0.72 5.02 -0.04 -4.92 118.16 110.70 1itw n LYS 622 Ca 0.15 0.51 -0.45 0.00 -2.02 0.00 0.00 58.31 56.50 1itw n LYS 622 Cb 0.48 -5.00 -0.07 0.00 -0.02 0.00 0.00 35.03 30.41 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 -4.01 6.15 0.28 4.39 3.84 -0.33 -4.96 114.94 120.29 1itw s ASN 623 Ca 0.23 -1.36 -0.03 0.00 0.21 0.00 0.00 52.86 51.91 1itw s ASN 623 Cb -0.12 -2.18 0.39 0.00 -0.55 0.00 0.00 41.25 38.79 1itw s ASN 623 CO 0.86 -0.66 1.92 -0.65 -2.79 0.00 0.00 177.10 175.78 1itw h PRO 624 N 8.76 1.08 -0.78 0.43 0.11 -1.91 -2.84 132.00 136.86 1itw h PRO 624 Ca -0.28 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 1itw h PRO 624 Cb 1.11 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 1itw h PRO 624 CO 0.89 0.77 0.31 0.87 -0.21 0.00 0.00 178.00 180.62 1itw h LYS 625 N 1.10 1.16 -0.55 1.05 1.57 -1.93 -1.79 116.57 117.17 1itw h LYS 625 Ca 0.28 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1itw h LYS 625 Cb -0.03 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1itw h LYS 625 CO -0.05 0.94 0.23 0.00 -0.57 0.00 0.00 179.45 179.99 1itw h ALA 626 N 1.20 1.36 -0.16 3.86 0.00 -1.78 0.59 119.26 124.34 1itw h ALA 626 Ca 0.26 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1itw h ALA 626 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1itw h ALA 626 CO -0.02 0.48 -0.51 -0.07 0.00 0.00 0.00 179.25 179.13 1itw h LEU 627 N 0.78 0.49 -0.37 0.00 3.38 -1.33 -1.48 115.31 116.78 1itw h LEU 627 Ca 0.19 -0.25 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 1itw h LEU 627 Cb 0.15 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1itw h LEU 627 CO -0.02 0.92 -0.56 0.58 0.09 0.00 0.00 178.44 179.45 1itw h VAL 628 N 0.35 1.29 -0.78 1.22 2.07 -0.66 -1.47 116.25 118.27 1itw h VAL 628 Ca 0.01 -1.77 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 1itw h VAL 628 Cb 1.02 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1itw h VAL 628 CO 0.09 0.57 0.39 -0.07 0.02 0.00 0.00 177.57 178.57 1itw h LEU 629 N 0.58 1.01 -0.44 2.57 3.38 -0.74 -1.18 115.31 120.49 1itw h LEU 629 Ca 0.01 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1itw h LEU 629 Cb 1.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1itw h LEU 629 CO 0.12 0.85 0.01 0.00 0.09 0.00 0.00 178.44 179.52 1itw h ALA 630 N 1.20 0.59 -0.13 1.53 0.00 -1.12 -0.12 119.26 121.21 1itw h ALA 630 Ca 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1itw h ALA 630 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1itw h ALA 630 CO -0.04 0.37 0.03 0.77 0.00 0.00 0.00 179.25 180.39 1itw h SER 631 N 0.62 0.20 -0.13 0.00 0.02 -1.07 -1.41 113.55 111.78 1itw h SER 631 Ca 0.13 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1itw h SER 631 Cb 0.47 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1itw h SER 631 CO 0.02 0.37 -0.05 0.71 -1.14 0.00 0.00 176.83 176.74 1itw h THR 632 N 0.02 1.19 -0.32 -2.27 1.35 -1.19 -2.16 112.91 109.53 1itw h THR 632 Ca 0.04 -0.77 -0.11 0.00 -0.55 0.00 0.00 66.41 65.02 1itw h THR 632 Cb 0.25 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1itw h THR 632 CO 0.00 0.26 -0.27 0.25 -0.25 0.00 0.00 175.52 175.51 1itw h LEU 633 N 0.39 0.65 -0.27 3.87 5.85 -0.72 -1.33 115.31 123.75 1itw h LEU 633 Ca 0.08 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1itw h LEU 633 Cb 0.34 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1itw h LEU 633 CO 0.01 0.89 0.16 0.44 -0.34 0.00 0.00 178.44 179.60 1itw h ASP 634 N 0.55 0.33 -0.90 1.25 3.32 -0.63 0.15 116.42 120.49 1itw h ASP 634 Ca 0.07 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1itw h ASP 634 Cb 0.74 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 1itw h ASP 634 CO 0.06 0.30 0.51 -0.61 -1.72 0.00 0.00 179.24 177.77 1itw h GLN 635 N 0.33 1.24 -0.39 3.56 4.15 -1.24 0.15 115.11 122.91 1itw h GLN 635 Ca 0.10 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1itw h GLN 635 Cb 0.04 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1itw h GLN 635 CO -0.02 0.90 0.07 0.00 -1.93 0.00 0.00 178.83 177.85 1itw h ALA 636 N 1.28 0.52 -0.71 3.38 0.00 -0.82 -1.82 119.26 121.09 1itw h ALA 636 Ca 0.32 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1itw h ALA 636 Cb 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1itw h ALA 636 CO -0.05 0.22 0.23 1.15 0.00 0.00 0.00 179.25 180.79 1itw h THR 637 N 0.49 1.25 -0.25 0.00 2.02 -0.25 -1.26 112.91 114.91 1itw h THR 637 Ca 0.12 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 1itw h THR 637 Cb 0.35 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1itw h THR 637 CO 0.01 0.34 -0.00 1.23 0.37 0.00 0.00 175.52 177.46 1itw h GLY 638 N 1.09 0.39 1.67 2.16 0.00 -0.48 -2.14 103.07 105.76 1itw h GLY 638 Ca 0.23 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 1itw h GLY 638 CO -0.01 0.20 -0.70 0.50 0.00 0.00 0.00 176.54 176.53 1itw h LYS 639 N 0.36 0.32 -0.91 4.80 1.57 -0.53 -0.01 116.57 122.17 1itw h LYS 639 Ca 0.08 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1itw h LYS 639 Cb 0.25 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1itw h LYS 639 CO 0.01 0.90 0.60 0.82 -0.57 0.00 0.00 179.45 181.20 1itw h ILE 640 N 0.22 1.14 0.20 1.86 1.08 -0.61 0.31 117.51 121.71 1itw h ILE 640 Ca -0.02 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 1itw h ILE 640 Cb 1.26 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1itw h ILE 640 CO 0.12 0.20 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.61 1itw h LEU 641 N 1.12 -0.23 -0.54 1.44 3.38 -1.24 0.12 115.31 119.37 1itw h LEU 641 Ca 0.37 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1itw h LEU 641 Cb 0.05 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1itw h LEU 641 CO -0.12 0.30 0.36 0.44 0.09 0.00 0.00 178.44 179.51 1itw h ASP 642 N -1.01 0.62 -0.28 -0.43 3.32 -0.90 -2.05 116.42 115.69 1itw h ASP 642 Ca -0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1itw h ASP 642 Cb 0.39 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1itw h ASP 642 CO 0.05 0.45 0.00 0.59 -1.72 0.00 0.00 179.24 178.60 1itw n ASN 643 N -4.71 1.59 -3.69 6.45 5.03 0.11 -4.96 115.26 115.07 1itw n ASN 643 Ca 0.03 -2.02 -0.25 0.00 0.87 0.00 0.00 54.58 53.22 1itw n ASN 643 Cb 0.02 -0.21 0.01 0.00 -1.02 0.00 0.00 39.78 38.58 1itw n ASN 643 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1itw n ASN 644 N 0.33 -5.17 -0.93 6.41 2.85 -0.77 -4.92 115.26 113.05 1itw n ASN 644 Ca 0.10 -0.78 0.01 0.00 -0.11 0.00 0.00 54.58 53.79 1itw n ASN 644 Cb 0.26 -1.96 0.21 0.00 1.24 0.00 0.00 39.78 39.52 1itw n ASN 644 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1itw n LYS 645 N -2.22 2.03 -2.41 1.20 4.76 0.40 -5.02 118.16 116.89 1itw n LYS 645 Ca -0.26 -3.05 -0.29 0.00 -2.87 0.00 0.00 58.31 51.84 1itw n LYS 645 Cb 0.68 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 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 -2.49 6.27 0.61 4.39 0.01 -1.26 -4.22 113.70 117.01 1itw s SER 646 Ca 0.42 1.09 -0.18 0.00 1.31 0.00 0.00 55.95 58.60 1itw s SER 646 Cb 0.37 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 1itw s SER 646 CO 0.02 -0.66 0.90 -2.65 0.41 0.00 0.00 173.24 171.26 1itw n PRO 647 N -2.36 0.80 0.00 12.44 -0.02 -1.26 -4.92 135.00 139.68 1itw n PRO 647 Ca 0.02 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1itw n PRO 647 Cb 0.55 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.81 0.00 0.00 3.55 0.00 -1.03 -5.02 120.51 116.20 1itw n ALA 648 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1itw n ALA 648 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.34 -4.40 0.00 5.12 -1.26 -4.85 116.66 111.61 1itw n ARG 649 Ca 0.00 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 1itw n ARG 649 Cb 0.00 -0.55 -0.12 0.00 -1.16 0.00 0.00 32.46 30.62 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 -1.11 1.44 0.32 5.56 3.01 -1.26 -4.99 119.74 122.71 1itw s LYS 650 Ca 0.00 -1.42 -0.26 0.00 -1.01 0.00 0.00 55.97 53.27 1itw s LYS 650 Cb 0.00 -1.85 -0.14 0.00 -1.01 0.00 0.00 37.83 34.84 1itw s LYS 650 CO 0.00 0.42 0.88 0.28 0.51 0.00 0.00 175.35 177.44 1itw n VAL 651 N 0.62 2.03 0.00 3.17 0.31 -1.26 -3.20 118.33 120.00 1itw n VAL 651 Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1itw n VAL 651 Cb 0.54 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 1.39 3.36 3.93 2.92 0.00 -1.26 -5.07 105.19 110.46 1itw n GLY 652 Ca 0.11 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1itw n GLY 652 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1itw s GLU 653 N 0.00 2.13 0.42 1.61 0.41 -1.19 -4.93 118.70 117.14 1itw s GLU 653 Ca 0.00 -0.24 -0.26 0.00 -0.41 0.00 0.00 54.97 54.05 1itw s GLU 653 Cb 0.00 -2.15 -0.09 0.00 -1.78 0.00 0.00 34.13 30.12 1itw s GLU 653 CO 0.00 -1.30 1.38 0.96 -0.49 0.00 0.00 175.26 175.81 1itw s ILE 654 N -3.29 2.32 0.00 -1.63 -4.36 -1.26 -4.89 121.20 108.08 1itw s ILE 654 Ca 0.61 0.29 0.00 0.00 -0.26 0.00 0.00 60.65 61.29 1itw s ILE 654 Cb -0.10 -3.17 0.00 0.00 1.25 0.00 0.00 42.46 40.43 1itw s ILE 654 CO 0.45 0.05 0.00 -0.90 0.24 0.00 0.00 174.94 174.78 1itw n ASP 655 N 0.07 1.35 -0.30 4.36 5.75 -1.26 -2.45 116.55 124.07 1itw n ASP 655 Ca 0.04 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.89 1itw n ASP 655 Cb 0.42 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.74 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 0.53 -0.61 -1.12 -0.73 -0.99 -1.39 115.58 111.27 1itw h ASN 656 Ca 0.00 0.10 -0.09 0.00 1.87 0.00 0.00 56.30 58.18 1itw h ASN 656 Cb 0.00 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 1itw h ASN 656 CO 0.00 0.21 0.05 0.03 -0.37 0.00 0.00 177.43 177.35 1itw h ARG 657 N 0.62 1.05 -0.50 6.67 3.08 -1.92 -2.36 114.38 121.01 1itw h ARG 657 Ca 0.47 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1itw h ARG 657 Cb 0.69 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1itw h ARG 657 CO -0.37 1.01 0.03 0.78 -1.07 0.00 0.00 179.97 180.35 1itw h GLY 658 N 0.96 0.88 1.52 0.04 0.00 -1.68 -1.90 103.07 102.88 1itw h GLY 658 Ca 0.18 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1itw h GLY 658 CO 0.02 0.53 -0.05 1.48 0.00 0.00 0.00 176.54 178.52 1itw h SER 659 N 0.77 0.56 -0.25 0.19 4.64 -1.01 -1.60 113.55 116.85 1itw h SER 659 Ca 0.15 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 1itw h SER 659 Cb 0.42 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1itw h SER 659 CO 0.01 0.66 -0.17 0.45 -0.87 0.00 0.00 176.83 176.92 1itw h HIS 660 N 0.55 0.76 -0.42 4.77 -0.00 -0.91 -1.50 115.15 118.39 1itw h HIS 660 Ca 0.11 -0.15 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 1itw h HIS 660 Cb 0.43 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 1itw h HIS 660 CO 0.02 0.81 0.19 0.35 -0.00 0.00 0.00 177.93 179.29 1itw h PHE 661 N 0.61 0.63 -0.02 2.45 3.57 -0.55 -1.10 116.94 122.53 1itw h PHE 661 Ca 0.10 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1itw h PHE 661 Cb 0.63 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1itw h PHE 661 CO 0.03 0.53 -0.34 1.88 -2.23 0.00 0.00 178.31 178.18 1itw h TYR 662 N 0.54 0.05 -0.35 0.41 -1.99 -1.13 0.83 116.97 115.33 1itw h TYR 662 Ca 0.14 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 1itw h TYR 662 Cb 0.15 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1itw h TYR 662 CO -0.01 0.38 0.03 1.25 -0.00 0.00 0.00 178.16 179.81 1itw h LEU 663 N 0.04 0.58 -0.31 3.88 5.85 -0.81 -0.80 115.31 123.74 1itw h LEU 663 Ca 0.00 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1itw h LEU 663 Cb 0.63 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1itw h LEU 663 CO 0.05 0.72 0.13 0.00 -0.34 0.00 0.00 178.44 179.00 1itw h ALA 664 N 0.88 0.40 0.30 1.25 0.00 -0.70 0.57 119.26 121.96 1itw h ALA 664 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1itw h ALA 664 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1itw h ALA 664 CO 0.01 -0.01 -0.29 1.25 0.00 0.00 0.00 179.25 180.22 1itw h LEU 665 N 0.36 -0.77 -0.81 0.00 5.85 -0.71 0.75 115.31 119.97 1itw h LEU 665 Ca 0.10 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1itw h LEU 665 Cb 0.16 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1itw h LEU 665 CO -0.01 -0.42 0.10 1.88 -0.34 0.00 0.00 178.44 179.65 1itw h TYR 666 N -0.61 1.04 -0.60 1.25 0.99 -1.12 -0.56 116.97 117.37 1itw h TYR 666 Ca -0.01 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 60.52 1itw h TYR 666 Cb 0.56 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 37.97 1itw h TYR 666 CO -0.18 0.89 0.11 2.35 -0.00 0.00 0.00 178.16 181.33 1itw h TRP 667 N 0.93 1.04 -0.45 4.88 7.01 -0.69 -0.72 115.95 127.95 1itw h TRP 667 Ca 0.19 -0.14 -0.12 0.00 2.11 0.00 0.00 58.89 60.93 1itw h TRP 667 Cb 0.41 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 1itw h TRP 667 CO 0.03 0.89 -0.19 0.00 -2.79 0.00 0.00 178.44 176.38 1itw h ALA 668 N 1.02 0.63 -0.61 2.65 0.00 -0.62 -1.05 119.26 121.29 1itw h ALA 668 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1itw h ALA 668 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1itw h ALA 668 CO 0.01 0.59 0.14 1.96 0.00 0.00 0.00 179.25 181.96 1itw h GLN 669 N 0.76 0.95 -0.50 0.00 4.20 -0.94 -1.23 115.11 118.36 1itw h GLN 669 Ca 0.10 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 1itw h GLN 669 Cb 0.76 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1itw h GLN 669 CO 0.06 0.85 -0.11 0.00 -0.67 0.00 0.00 178.83 178.96 1itw h ALA 670 N 1.24 0.69 0.00 3.87 0.00 -0.93 -1.75 119.26 122.38 1itw h ALA 670 Ca 0.19 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1itw h ALA 670 Cb 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1itw h ALA 670 CO 0.00 0.59 -0.35 -0.07 0.00 0.00 0.00 179.25 179.42 1itw h LEU 671 N 0.81 0.00 0.00 0.00 3.38 -0.88 -1.52 115.31 117.10 1itw h LEU 671 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1itw h LEU 671 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1itw h LEU 671 CO 0.05 0.35 -0.38 0.00 0.09 0.00 0.00 178.44 178.55 1itw h ALA 672 N 1.65 0.77 0.00 1.53 0.00 -0.97 -3.30 119.26 118.93 1itw h ALA 672 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1itw h ALA 672 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1itw h ALA 672 CO 0.05 0.44 -1.24 0.00 0.00 0.00 0.00 179.25 178.50 1itw n ALA 673 N -2.19 3.03 -1.80 0.00 0.00 -0.68 -4.89 120.51 113.98 1itw n ALA 673 Ca 0.02 -0.38 -0.35 0.00 0.00 0.00 0.00 53.44 52.73 1itw n ALA 673 Cb 0.68 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 1itw n ALA 673 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1itw s GLN 674 N -3.32 4.27 0.00 0.00 1.03 -0.61 -4.97 119.66 116.08 1itw s GLN 674 Ca -0.00 1.27 0.05 0.00 0.04 0.00 0.00 55.36 56.73 1itw s GLN 674 Cb 0.13 -2.41 0.11 0.00 0.03 0.00 0.00 33.01 30.86 1itw s GLN 674 CO 0.82 -0.00 0.94 0.25 -2.54 0.00 0.00 175.29 174.76 1itw n THR 675 N -0.23 0.59 -0.22 3.63 -2.24 -1.26 -4.65 114.28 109.89 1itw n THR 675 Ca 0.05 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 60.95 1itw n THR 675 Cb 0.52 0.75 0.03 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.03 1.10 -4.03 -0.78 3.07 -1.97 -3.39 114.58 109.61 1itw h GLU 676 Ca 0.00 -0.33 -0.59 0.00 -0.50 0.00 0.00 59.36 57.94 1itw h GLU 676 Cb 0.46 -0.11 -0.39 0.00 -0.84 0.00 0.00 28.75 27.86 1itw h GLU 676 CO 0.00 1.04 -0.76 0.34 -1.40 0.00 0.00 179.01 178.23 1itw s ASP 677 N -6.54 3.87 0.31 1.42 -1.08 -1.26 -5.01 116.67 108.38 1itw s ASP 677 Ca -0.12 -1.38 0.02 0.00 -0.52 0.00 0.00 52.55 50.54 1itw s ASP 677 Cb 0.14 -1.05 0.52 0.00 -1.46 0.00 0.00 42.92 41.07 1itw s ASP 677 CO 0.86 -0.32 1.87 0.11 0.52 0.00 0.00 175.17 178.21 1itw h LYS 678 N 8.00 0.69 -0.38 4.34 6.56 -1.89 -1.57 116.57 132.32 1itw h LYS 678 Ca -0.14 -0.13 -0.04 0.00 -1.06 0.00 0.00 60.65 59.28 1itw h LYS 678 Cb 1.06 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.59 1itw h LYS 678 CO 0.43 0.63 0.09 0.93 -2.06 0.00 0.00 179.45 179.47 1itw h GLU 679 N 0.67 0.61 -0.48 3.15 5.08 -1.98 0.14 114.58 121.78 1itw h GLU 679 Ca 0.15 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1itw h GLU 679 Cb 0.26 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1itw h GLU 679 CO -0.00 0.65 0.03 -0.07 -1.00 0.00 0.00 179.01 178.62 1itw h LEU 680 N 0.47 0.81 -0.39 1.33 3.38 -1.89 -1.01 115.31 118.00 1itw h LEU 680 Ca 0.12 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1itw h LEU 680 Cb 0.32 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1itw h LEU 680 CO 0.00 0.89 0.23 -0.61 0.09 0.00 0.00 178.44 179.04 1itw h GLN 681 N 0.69 0.45 -0.64 1.13 4.15 -1.09 -0.64 115.11 119.17 1itw h GLN 681 Ca 0.14 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1itw h GLN 681 Cb 0.46 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1itw h GLN 681 CO 0.02 0.30 0.22 0.00 -1.93 0.00 0.00 178.83 177.44 1itw h ALA 682 N 1.18 1.19 -0.17 3.38 0.00 -0.82 -1.93 119.26 122.09 1itw h ALA 682 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1itw h ALA 682 Cb 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1itw h ALA 682 CO -0.08 0.58 -0.18 0.37 0.00 0.00 0.00 179.25 179.94 1itw h GLN 683 N 0.93 0.42 -0.01 0.00 4.15 -0.62 -3.25 115.11 116.73 1itw h GLN 683 Ca 0.21 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1itw h GLN 683 Cb 0.23 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1itw h GLN 683 CO -0.01 0.79 -0.00 1.19 -1.93 0.00 0.00 178.83 178.87 1itw n PHE 684 N -4.50 0.00 -0.16 3.99 3.01 -0.30 -3.81 117.46 115.69 1itw n PHE 684 Ca -0.06 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.32 1itw n PHE 684 Cb 0.39 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.86 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 1.19 1.19 -0.12 4.37 2.02 -1.38 0.10 112.91 120.28 1itw h THR 685 Ca 0.00 -0.53 -0.19 0.00 0.77 0.00 0.00 66.41 66.45 1itw h THR 685 Cb 0.26 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1itw h THR 685 CO 0.00 0.21 -0.71 1.23 0.37 0.00 0.00 175.52 176.61 1itw h GLY 686 N 0.62 0.61 0.88 2.16 0.00 -1.76 -2.47 103.07 103.10 1itw h GLY 686 Ca 0.16 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1itw h GLY 686 CO -0.02 0.75 0.07 -2.22 0.00 0.00 0.00 176.54 175.12 1itw h ILE 687 N 0.39 1.19 -0.80 2.60 1.08 -1.65 -1.39 117.51 118.93 1itw h ILE 687 Ca -0.03 -0.62 0.02 0.00 -0.39 0.00 0.00 64.86 63.85 1itw h ILE 687 Cb 1.30 1.17 -0.05 0.00 -3.07 0.00 0.00 36.82 36.18 1itw h ILE 687 CO 0.13 0.20 0.52 0.00 -0.69 0.00 0.00 178.15 178.31 1itw h ALA 688 N 0.89 1.04 -0.39 1.87 0.00 -0.81 -1.47 119.26 120.39 1itw h ALA 688 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1itw h ALA 688 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1itw h ALA 688 CO -0.00 0.36 0.18 -0.22 0.00 0.00 0.00 179.25 179.57 1itw h LYS 689 N 1.03 0.57 -0.23 0.00 3.64 -1.21 -0.28 116.57 120.09 1itw h LYS 689 Ca 0.31 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1itw h LYS 689 Cb -0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1itw h LYS 689 CO -0.10 0.51 0.15 0.00 -2.27 0.00 0.00 179.45 177.75 1itw h ALA 690 N 1.03 0.29 -0.37 5.00 0.00 -0.84 -0.24 119.26 124.13 1itw h ALA 690 Ca 0.13 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1itw h ALA 690 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1itw h ALA 690 CO -0.02 -0.23 -0.28 -0.07 0.00 0.00 0.00 179.25 178.66 1itw h LEU 691 N 0.30 0.81 0.06 0.00 3.38 -1.21 -2.22 115.31 116.43 1itw h LEU 691 Ca 0.08 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1itw h LEU 691 Cb -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1itw h LEU 691 CO -0.02 1.04 -0.03 0.74 0.09 0.00 0.00 178.44 180.26 1itw h THR 692 N 0.67 1.15 0.00 0.22 2.02 -0.86 -2.01 112.91 114.10 1itw h THR 692 Ca 0.08 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 1itw h THR 692 Cb 0.81 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1itw h THR 692 CO 0.07 0.18 -0.14 0.44 0.37 0.00 0.00 175.52 176.43 1itw h ASP 693 N -0.39 0.00 -0.49 4.18 3.32 -1.06 -2.86 116.42 119.13 1itw h ASP 693 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1itw h ASP 693 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1itw h ASP 693 CO 0.01 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.26 1itw n ASN 694 N -3.68 4.15 -0.01 6.45 3.02 -0.84 -4.72 115.26 119.64 1itw n ASN 694 Ca -0.02 -2.47 -0.13 0.00 -0.03 0.00 0.00 54.58 51.93 1itw n ASN 694 Cb 0.26 -0.49 -0.08 0.00 -0.61 0.00 0.00 39.78 38.86 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 3.09 -0.47 -0.30 3.52 4.81 -1.12 0.10 114.58 124.23 1itw h GLU 695 Ca 0.00 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1itw h GLU 695 Cb 1.29 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.73 1itw h GLU 695 CO 0.18 -0.31 0.01 1.15 -0.73 0.00 0.00 179.01 179.31 1itw h THR 696 N -0.48 0.80 -0.28 0.32 2.02 -1.85 0.01 112.91 113.45 1itw h THR 696 Ca 0.03 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.20 1itw h THR 696 Cb 0.57 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1itw h THR 696 CO -0.37 0.02 0.10 0.50 0.37 0.00 0.00 175.52 176.14 1itw h LYS 697 N 0.10 0.22 0.09 6.66 3.64 -1.81 -0.17 116.57 125.30 1itw h LYS 697 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1itw h LYS 697 Cb 0.18 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1itw h LYS 697 CO -0.23 0.15 -0.04 0.82 -2.27 0.00 0.00 179.45 177.87 1itw h ILE 698 N 0.23 1.03 -0.79 2.00 2.04 -0.48 -0.40 117.51 121.13 1itw h ILE 698 Ca 0.12 -0.44 0.09 0.00 1.00 0.00 0.00 64.86 65.63 1itw h ILE 698 Cb 0.08 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1itw h ILE 698 CO -0.12 0.11 0.52 0.58 0.00 0.00 0.00 178.15 179.24 1itw h VAL 699 N -0.32 0.97 -0.34 1.67 2.07 -0.88 0.80 116.25 120.21 1itw h VAL 699 Ca -0.01 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1itw h VAL 699 Cb 0.27 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1itw h VAL 699 CO 0.02 0.14 -0.05 1.23 0.02 0.00 0.00 177.57 178.93 1itw h GLY 700 N 0.76 0.69 1.05 2.17 0.00 -0.74 -0.77 103.07 106.22 1itw h GLY 700 Ca 0.36 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1itw h GLY 700 CO -0.14 0.50 0.40 0.83 0.00 0.00 0.00 176.54 178.14 1itw h GLU 701 N 0.43 1.22 -0.41 4.80 5.08 0.30 0.56 114.58 126.56 1itw h GLU 701 Ca 0.09 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1itw h GLU 701 Cb 0.54 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1itw h GLU 701 CO 0.03 0.94 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.70 1itw h LEU 702 N 1.21 0.82 -0.71 1.33 3.38 -0.78 -2.90 115.31 117.67 1itw h LEU 702 Ca 0.29 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1itw h LEU 702 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1itw h LEU 702 CO -0.04 1.01 -0.14 0.00 0.09 0.00 0.00 178.44 179.36 1itw h ALA 703 N 1.05 0.90 0.00 1.53 0.00 -0.63 -2.51 119.26 119.60 1itw h ALA 703 Ca 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1itw h ALA 703 Cb 0.73 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1itw h ALA 703 CO 0.06 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 179.91 1itw h ALA 704 N 1.08 1.09 0.00 0.00 0.00 -0.70 -0.86 119.26 119.86 1itw h ALA 704 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1itw h ALA 704 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1itw h ALA 704 CO 0.05 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1itw n ALA 705 N -2.14 2.25 -2.15 0.00 0.00 -0.95 -4.84 120.51 112.68 1itw n ALA 705 Ca -0.02 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 1itw n ALA 705 Cb 0.18 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.94 2.94 0.00 0.00 -0.21 -0.33 -4.48 119.66 114.64 1itw s GLN 706 Ca 0.15 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.34 1itw s GLN 706 Cb 0.18 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.82 1itw s GLN 706 CO 0.48 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 1itw n GLY 707 N -2.42 2.53 3.64 3.09 0.00 0.83 -4.97 105.19 107.89 1itw n GLY 707 Ca 0.04 0.00 -0.25 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 -0.50 2.30 0.71 1.61 1.02 -1.21 -4.83 119.74 118.84 1itw s LYS 708 Ca 0.00 -1.24 -0.14 0.00 0.02 0.00 0.00 55.97 54.61 1itw s LYS 708 Cb 0.00 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 35.08 1itw s LYS 708 CO 0.00 0.42 1.14 -2.14 -0.92 0.00 0.00 175.35 173.85 1itw s PRO 709 N -3.16 2.44 -0.06 -1.68 0.02 -1.24 -1.65 135.00 129.67 1itw s PRO 709 Ca 0.28 1.47 0.03 0.00 0.02 0.00 0.00 61.00 62.80 1itw s PRO 709 Cb -0.08 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1itw s PRO 709 CO 0.18 -1.55 -0.17 0.08 -0.33 0.00 0.00 177.00 175.22 1itw s VAL 710 N -2.34 1.44 -0.24 3.83 1.01 0.37 -4.82 120.40 119.65 1itw s VAL 710 Ca 0.68 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1itw s VAL 710 Cb -0.22 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 34.93 1itw s VAL 710 CO 0.45 0.42 -0.10 -0.62 0.00 0.00 0.00 175.10 175.25 1itw s ASP 711 N 0.36 4.17 -0.20 3.32 -1.08 -1.26 -4.63 116.67 117.35 1itw s ASP 711 Ca -0.11 -1.07 0.15 0.00 -0.52 0.00 0.00 52.55 50.99 1itw s ASP 711 Cb -0.15 -1.58 0.49 0.00 -1.46 0.00 0.00 42.92 40.22 1itw s ASP 711 CO 0.04 -0.14 1.39 2.30 0.52 0.00 0.00 175.17 179.29 1itw n ILE 712 N 4.56 2.30 -3.92 4.11 -5.35 -1.26 -4.90 119.36 114.90 1itw n ILE 712 Ca -0.16 -2.17 -0.28 0.00 -0.27 0.00 0.00 62.75 59.87 1itw n ILE 712 Cb 0.45 -0.27 0.01 0.00 -1.74 0.00 0.00 39.64 38.09 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 -0.81 -1.63 0.00 -1.28 0.00 -1.26 -0.57 120.51 114.96 1itw n ALA 713 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1itw n ALA 713 Cb 0.90 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 -1.68 -1.02 2.01 0.00 0.00 -1.26 -3.93 105.19 99.31 1itw n GLY 714 Ca -0.12 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 4.34 -2.69 0.14 1.61 9.36 -1.26 -4.68 117.16 123.98 1itw n TYR 715 Ca 0.00 0.52 0.05 0.00 3.32 0.00 0.00 57.90 61.79 1itw n TYR 715 Cb 0.00 0.79 0.03 0.00 -0.63 0.00 0.00 39.34 39.53 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 -1.28 2.98 -1.99 -1.95 -3.39 116.97 111.34 1itw h TYR 716 Ca 0.00 0.00 -0.42 0.00 2.00 0.00 0.00 58.73 60.31 1itw h TYR 716 Cb 0.00 0.00 -0.30 0.00 2.00 0.00 0.00 36.73 38.43 1itw h TYR 716 CO 0.00 0.37 -0.90 1.58 -0.00 0.00 0.00 178.16 179.21 1itw n HIS 717 N -3.10 -1.25 -1.45 4.88 -0.00 -1.26 -4.33 115.22 108.71 1itw n HIS 717 Ca 0.00 -3.02 -0.30 0.00 -0.00 0.00 0.00 57.72 54.40 1itw n HIS 717 Cb 0.70 0.34 0.10 0.00 -0.00 0.00 0.00 29.99 31.12 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 -0.87 1.94 -0.17 1.57 0.04 -1.26 -4.76 135.00 131.49 1itw s PRO 718 Ca 0.34 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1itw s PRO 718 Cb 0.24 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1itw s PRO 718 CO -0.13 -1.75 1.71 1.21 0.04 0.00 0.00 177.00 178.09 1itw s ASN 719 N -3.74 6.34 0.46 6.66 3.84 0.27 -4.86 114.94 123.90 1itw s ASN 719 Ca 0.61 1.84 0.13 0.00 0.21 0.00 0.00 52.86 55.65 1itw s ASN 719 Cb -0.15 -2.53 1.06 0.00 -0.55 0.00 0.00 41.25 39.08 1itw s ASN 719 CO 0.55 -1.26 2.07 0.71 -2.79 0.00 0.00 177.10 176.39 1itw h THR 720 N 6.11 1.07 -0.20 -5.21 1.35 -1.93 -1.06 112.91 113.03 1itw h THR 720 Ca -0.37 -0.25 -0.18 0.00 -0.55 0.00 0.00 66.41 65.07 1itw h THR 720 Cb 1.17 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1itw h THR 720 CO 0.98 0.09 -0.56 0.44 -0.25 0.00 0.00 175.52 176.22 1itw h ASP 721 N 0.16 0.85 -0.33 5.36 3.32 -1.97 0.10 116.42 123.91 1itw h ASP 721 Ca 0.04 -0.58 -0.11 0.00 0.02 0.00 0.00 57.03 56.40 1itw h ASP 721 Cb 0.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1itw h ASP 721 CO -0.00 1.28 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.53 1itw h LEU 722 N 0.46 0.81 -0.36 1.55 3.38 -1.83 -2.01 115.31 117.31 1itw h LEU 722 Ca -0.01 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 1itw h LEU 722 Cb 1.18 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1itw h LEU 722 CO 0.12 0.99 -0.19 0.74 0.09 0.00 0.00 178.44 180.19 1itw h THR 723 N 0.71 1.28 -0.75 0.22 2.02 -1.12 -1.54 112.91 113.73 1itw h THR 723 Ca 0.10 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 1itw h THR 723 Cb 0.71 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1itw h THR 723 CO 0.05 0.44 0.37 -1.28 0.37 0.00 0.00 175.52 175.47 1itw h SER 724 N 0.56 0.97 -0.38 4.18 0.87 -0.88 -1.27 113.55 117.60 1itw h SER 724 Ca 0.08 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1itw h SER 724 Cb 0.74 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1itw h SER 724 CO 0.06 0.82 0.10 0.11 -0.53 0.00 0.00 176.83 177.39 1itw h LYS 725 N 1.05 0.61 -0.36 2.24 6.56 -1.24 -1.43 116.57 123.99 1itw h LYS 725 Ca 0.26 -0.14 -0.05 0.00 -1.06 0.00 0.00 60.65 59.65 1itw h LYS 725 Cb 0.10 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 1itw h LYS 725 CO -0.03 0.63 -0.01 0.00 -2.06 0.00 0.00 179.45 177.98 1itw h ALA 726 N 0.95 1.31 0.00 3.86 0.00 -1.07 -2.86 119.26 121.45 1itw h ALA 726 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1itw h ALA 726 Cb 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1itw h ALA 726 CO -0.00 0.47 -0.31 -1.33 0.00 0.00 0.00 179.25 178.08 1itw n MET 727 N -4.26 0.00 -3.17 0.00 2.81 -0.50 -4.22 117.12 107.79 1itw n MET 727 Ca 0.02 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.68 1itw n MET 727 Cb 0.26 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.51 1.71 0.08 0.03 1.74 -0.56 -4.54 116.66 113.61 1itw n ARG 728 Ca 0.06 -3.91 0.13 0.00 -0.77 0.00 0.00 57.85 53.36 1itw n ARG 728 Cb 0.34 -1.81 0.46 0.00 -1.02 0.00 0.00 32.46 30.43 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 0.51 0.20 -2.91 5.56 -0.04 -1.20 -4.76 135.00 132.34 1itw n PRO 729 Ca 0.26 0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 63.45 1itw n PRO 729 Cb 0.52 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 -4.15 6.29 0.38 3.54 0.15 -1.26 -4.88 113.70 113.76 1itw s SER 730 Ca 0.11 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.24 1itw s SER 730 Cb 0.14 -2.40 0.75 0.00 -1.71 0.00 0.00 66.02 62.80 1itw s SER 730 CO 0.58 -1.18 2.02 0.00 1.20 0.00 0.00 173.24 175.85 1itw h ALA 731 N 9.28 1.60 -0.38 5.45 0.00 -1.95 0.33 119.26 133.60 1itw h ALA 731 Ca -0.27 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1itw h ALA 731 Cb 1.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1itw h ALA 731 CO 1.07 0.34 -0.31 1.15 0.00 0.00 0.00 179.25 181.51 1itw h THR 732 N 0.64 1.28 -0.19 0.00 2.02 -1.95 -0.88 112.91 113.81 1itw h THR 732 Ca 0.17 -1.47 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 1itw h THR 732 Cb -0.01 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1itw h THR 732 CO -0.03 0.49 -0.06 0.15 0.37 0.00 0.00 175.52 176.44 1itw h PHE 733 N 0.68 0.44 -0.93 3.16 3.57 -1.81 -0.72 116.94 121.32 1itw h PHE 733 Ca 0.07 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1itw h PHE 733 Cb 0.89 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 1itw h PHE 733 CO 0.06 0.65 0.60 -0.91 -2.23 0.00 0.00 178.31 176.48 1itw h ASN 734 N 0.10 0.97 0.32 0.41 2.35 -0.90 -1.64 115.58 117.19 1itw h ASN 734 Ca 0.05 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 1itw h ASN 734 Cb 0.52 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1itw h ASN 734 CO 0.02 0.65 -0.51 0.00 -1.65 0.00 0.00 177.43 175.94 1itw h ALA 735 N 1.40 0.99 -0.33 -0.83 0.00 -1.02 -2.00 119.26 117.48 1itw h ALA 735 Ca 0.38 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1itw h ALA 735 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1itw h ALA 735 CO -0.14 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1itw h ALA 736 N 1.30 1.40 -0.02 0.00 0.00 -0.16 -2.89 119.26 118.90 1itw h ALA 736 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1itw h ALA 736 Cb 0.96 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1itw h ALA 736 CO 0.08 0.42 -0.45 1.28 0.00 0.00 0.00 179.25 180.58 1itw n LEU 737 N -4.29 2.03 -0.24 0.00 4.77 -1.03 -4.54 117.00 113.69 1itw n LEU 737 Ca 0.01 -0.75 0.05 0.00 -0.03 0.00 0.00 56.01 55.30 1itw n LEU 737 Cb 0.24 -0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.50 1itw n LEU 737 CO 0.39 0.38 0.96 0.00 -1.33 0.00 0.00 177.39 177.78 1itw h ALA 738 N 3.91 0.96 -0.01 -1.18 0.00 -1.14 -0.00 119.26 121.80 1itw h ALA 738 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1itw h ALA 738 Cb 0.76 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1itw h ALA 738 CO 0.00 -0.30 0.11 -1.35 0.00 0.00 0.00 179.25 177.71 1itw h PRO 739 N 0.32 0.00 0.00 0.00 0.11 -1.80 -0.13 132.00 130.50 1itw h PRO 739 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1itw h PRO 739 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1itw h PRO 739 CO -0.46 0.00 -1.10 1.28 -0.21 0.00 0.00 178.00 177.50 1itw n LEU 740 N -3.09 0.70 0.00 2.35 4.77 -0.05 -5.20 117.00 116.48 1itw n LEU 740 Ca -0.02 -0.25 0.11 0.00 -0.03 0.00 0.00 56.01 55.81 1itw n LEU 740 Cb 0.17 -0.05 0.62 0.00 -2.33 0.00 0.00 43.42 41.83 1itw n LEU 740 CO 0.19 0.15 0.82 0.00 -1.33 0.00 0.00 177.39 177.21