#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itw s THR 3 N 0.00 3.42 0.25 6.66 2.01 -1.26 -4.94 115.64 121.77 1itw s THR 3 Ca 0.00 1.03 -0.31 0.00 0.31 0.00 0.00 61.69 62.72 1itw s THR 3 Cb 0.00 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 1itw s THR 3 CO 0.00 0.09 1.41 -2.65 -0.69 0.00 0.00 174.62 172.78 1itw n PRO 4 N 3.78 2.07 -4.37 4.92 -0.02 -1.26 -4.69 135.00 135.44 1itw n PRO 4 Ca 0.10 0.74 -0.28 0.00 -2.02 0.00 0.00 63.50 62.04 1itw n PRO 4 Cb 0.43 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 1itw n PRO 4 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1itw s LYS 5 N -0.48 1.34 -0.11 -0.52 -2.85 -1.26 -0.72 119.74 115.14 1itw s LYS 5 Ca 0.67 -1.30 0.03 0.00 -1.00 0.00 0.00 55.97 54.37 1itw s LYS 5 Cb -0.64 -1.78 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 1itw s LYS 5 CO 0.50 0.42 -0.22 0.42 0.10 0.00 0.00 175.35 176.57 1itw s ILE 6 N -1.08 2.18 -0.21 3.79 1.01 0.63 -4.52 121.20 123.00 1itw s ILE 6 Ca 0.12 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 1itw s ILE 6 Cb -0.10 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1itw s ILE 6 CO 0.06 0.55 0.41 -0.63 0.00 0.00 0.00 174.94 175.33 1itw s ILE 7 N 0.46 5.18 -0.22 2.92 -1.09 0.21 -1.27 121.20 127.39 1itw s ILE 7 Ca -0.15 0.73 -0.06 0.00 -2.23 0.00 0.00 60.65 58.95 1itw s ILE 7 Cb -0.17 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1itw s ILE 7 CO 0.06 0.23 0.02 -0.47 -1.23 0.00 0.00 174.94 173.55 1itw s TYR 8 N 1.41 3.04 -0.01 3.97 5.04 0.81 -0.28 117.35 131.33 1itw s TYR 8 Ca 0.19 -0.56 -0.30 0.00 -2.44 0.00 0.00 57.07 53.97 1itw s TYR 8 Cb -0.15 -2.15 -0.03 0.00 0.35 0.00 0.00 41.96 39.98 1itw s TYR 8 CO 0.08 -0.36 1.05 0.95 -1.34 0.00 0.00 175.55 175.93 1itw s THR 9 N 1.36 4.64 -0.20 4.34 -4.23 -0.72 -2.38 115.64 118.45 1itw s THR 9 Ca 0.05 1.90 -0.19 0.00 -1.18 0.00 0.00 61.69 62.26 1itw s THR 9 Cb -0.15 -4.22 -0.03 0.00 1.34 0.00 0.00 72.50 69.45 1itw s THR 9 CO 0.01 0.11 0.55 -0.76 -0.54 0.00 0.00 174.62 173.99 1itw s LEU 10 N 1.27 4.15 0.00 4.79 1.02 -0.03 -4.59 118.68 125.30 1itw s LEU 10 Ca 0.53 0.72 0.00 0.00 0.02 0.00 0.00 54.13 55.40 1itw s LEU 10 Cb -0.23 -2.75 0.00 0.00 0.02 0.00 0.00 46.19 43.23 1itw s LEU 10 CO 0.26 -0.20 0.00 0.35 0.02 0.00 0.00 176.35 176.78 1itw n THR 11 N 4.58 0.00 -4.47 5.49 -2.24 -1.26 -1.57 114.28 114.81 1itw n THR 11 Ca -0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 1itw n THR 11 Cb 0.50 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 1itw n THR 11 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1itw s ASP 12 N 0.78 3.21 0.08 3.42 1.01 -1.26 -4.34 116.67 119.58 1itw s ASP 12 Ca 0.00 -1.15 0.00 0.00 0.71 0.00 0.00 52.55 52.11 1itw s ASP 12 Cb 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 42.92 43.68 1itw s ASP 12 CO 0.00 -0.21 0.00 -0.62 0.21 0.00 0.00 175.17 174.55 1itw n GLU 13 N -0.64 0.00 0.15 8.23 1.02 -1.26 -2.57 120.64 125.57 1itw n GLU 13 Ca -0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.94 1itw n GLU 13 Cb 0.62 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 -0.04 -0.63 -0.99 0.62 0.00 -1.51 -1.18 119.26 115.53 1itw h ALA 14 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1itw h ALA 14 Cb 0.00 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1itw h ALA 14 CO 0.00 -0.90 0.64 -1.35 0.00 0.00 0.00 179.25 177.63 1itw h PRO 15 N -0.61 1.11 -0.65 0.00 0.11 -1.74 -0.41 132.00 129.81 1itw h PRO 15 Ca 0.01 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1itw h PRO 15 Cb 0.61 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 1itw h PRO 15 CO -0.14 0.73 0.35 0.00 -0.21 0.00 0.00 178.00 178.72 1itw h ALA 16 N 1.47 0.83 -0.08 -0.75 0.00 -1.21 -0.66 119.26 118.87 1itw h ALA 16 Ca 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1itw h ALA 16 Cb 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1itw h ALA 16 CO -0.17 0.36 0.03 -0.07 0.00 0.00 0.00 179.25 179.39 1itw h LEU 17 N 0.89 0.12 -1.30 0.00 3.38 -0.19 -2.83 115.31 115.38 1itw h LEU 17 Ca 0.23 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1itw h LEU 17 Cb 0.06 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1itw h LEU 17 CO -0.03 0.28 0.54 0.00 0.09 0.00 0.00 178.44 179.32 1itw h ALA 18 N 0.84 1.72 -0.31 1.53 0.00 -0.89 -1.86 119.26 120.29 1itw h ALA 18 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1itw h ALA 18 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1itw h ALA 18 CO -0.00 0.11 0.15 1.15 0.00 0.00 0.00 179.25 180.66 1itw h THR 19 N 0.78 1.11 0.00 0.00 2.02 -0.87 -1.00 112.91 114.95 1itw h THR 19 Ca 0.38 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1itw h THR 19 Cb 0.44 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1itw h THR 19 CO -0.15 0.13 -0.05 1.88 0.37 0.00 0.00 175.52 177.69 1itw h TYR 20 N 0.43 0.00 0.08 3.16 -1.99 -1.28 -0.29 116.97 117.08 1itw h TYR 20 Ca 0.11 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.52 1itw h TYR 20 Cb 0.05 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 1itw h TYR 20 CO 0.00 0.05 -1.77 0.45 -0.00 0.00 0.00 178.16 176.89 1itw n SER 21 N -4.25 2.03 0.05 3.88 2.88 -0.74 -4.47 113.62 113.00 1itw n SER 21 Ca -0.03 0.28 -0.19 0.00 -1.33 0.00 0.00 58.87 57.60 1itw n SER 21 Cb 0.13 -0.89 -0.09 0.00 -0.75 0.00 0.00 64.21 62.61 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 -0.33 0.84 -0.69 2.46 5.85 -1.09 -3.34 115.31 119.00 1itw h LEU 22 Ca -0.41 -0.68 0.05 0.00 0.84 0.00 0.00 57.88 57.68 1itw h LEU 22 Cb 1.77 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 1itw h LEU 22 CO -0.03 1.48 0.41 0.25 -0.34 0.00 0.00 178.44 180.20 1itw h LEU 23 N 0.36 0.64 -1.33 2.25 6.46 -1.29 -0.48 115.31 121.92 1itw h LEU 23 Ca -0.12 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1itw h LEU 23 Cb 1.68 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 41.47 1itw h LEU 23 CO 0.20 0.42 0.34 -0.65 -0.62 0.00 0.00 178.44 178.14 1itw h PRO 24 N 0.77 0.80 -0.21 5.25 0.11 -1.78 -0.56 132.00 136.38 1itw h PRO 24 Ca 0.30 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1itw h PRO 24 Cb 0.12 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1itw h PRO 24 CO -0.15 0.57 0.00 0.82 -0.21 0.00 0.00 178.00 179.03 1itw h ILE 25 N 0.81 1.25 -0.21 4.15 2.04 -1.40 -1.47 117.51 122.69 1itw h ILE 25 Ca 0.21 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1itw h ILE 25 Cb -0.01 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1itw h ILE 25 CO -0.04 0.27 0.12 0.40 0.00 0.00 0.00 178.15 178.90 1itw h ILE 26 N 0.13 1.02 -0.63 -0.67 2.04 -0.63 -1.21 117.51 117.56 1itw h ILE 26 Ca 0.06 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1itw h ILE 26 Cb 0.39 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1itw h ILE 26 CO 0.01 0.05 0.41 0.11 0.00 0.00 0.00 178.15 178.73 1itw h LYS 27 N 0.26 0.81 -0.60 2.37 1.57 -1.08 -1.52 116.57 118.38 1itw h LYS 27 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1itw h LYS 27 Cb -0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1itw h LYS 27 CO -0.04 0.54 0.32 0.00 -0.57 0.00 0.00 179.45 179.70 1itw h ALA 28 N 1.24 0.77 0.00 3.86 0.00 -0.92 -1.48 119.26 122.73 1itw h ALA 28 Ca 0.24 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1itw h ALA 28 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1itw h ALA 28 CO -0.06 0.29 -0.40 0.74 0.00 0.00 0.00 179.25 179.82 1itw h PHE 29 N 0.81 0.00 0.00 0.00 -1.00 -0.95 -3.31 116.94 112.49 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 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1itw h PHE 29 CO -0.01 0.40 -1.45 0.25 -1.61 0.00 0.00 178.31 175.88 1itw n THR 30 N -3.44 0.10 -0.14 -1.55 -2.24 -0.60 -4.58 114.28 101.83 1itw n THR 30 Ca 0.00 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1itw n THR 30 Cb 0.56 0.22 0.02 0.00 -2.10 0.00 0.00 70.33 69.02 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 4.34 0.07 1.77 3.38 0.00 -1.36 -1.34 103.07 109.93 1itw h GLY 31 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1itw h GLY 31 CO 0.00 -0.21 0.00 -1.14 0.00 0.00 0.00 176.54 175.19 1itw n SER 32 N -5.40 0.00 -1.32 0.19 3.41 -1.26 -2.52 113.62 106.72 1itw n SER 32 Ca 0.03 0.32 0.11 0.00 -0.26 0.00 0.00 58.87 59.08 1itw n SER 32 Cb 0.31 -0.39 0.31 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.39 3.83 -1.78 4.04 7.64 -0.51 -4.93 113.62 120.52 1itw n SER 33 Ca 0.03 -2.02 -0.11 0.00 1.01 0.00 0.00 58.87 57.79 1itw n SER 33 Cb 0.08 -0.48 0.03 0.00 -1.01 0.00 0.00 64.21 62.83 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 1.61 0.24 3.25 0.23 0.00 -1.05 -4.75 105.19 104.72 1itw n GLY 34 Ca 0.24 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.05 1.95 -0.12 -0.61 1.01 -1.24 -4.02 121.20 115.12 1itw s ILE 35 Ca 0.23 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 1itw s ILE 35 Cb -0.10 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1itw s ILE 35 CO 0.28 0.54 -0.09 0.00 0.00 0.00 0.00 174.94 175.67 1itw s ALA 36 N -0.17 2.81 -0.25 9.38 0.00 0.11 -4.43 121.76 129.21 1itw s ALA 36 Ca -0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1itw s ALA 36 Cb -0.13 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.70 1itw s ALA 36 CO 0.03 0.31 -0.05 0.08 0.00 0.00 0.00 175.76 176.14 1itw s VAL 37 N 0.09 3.02 0.15 0.00 1.01 -1.26 -0.27 120.40 123.14 1itw s VAL 37 Ca -0.03 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.07 1itw s VAL 37 Cb -0.14 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1itw s VAL 37 CO 0.04 0.20 -0.06 -1.61 0.00 0.00 0.00 175.10 173.67 1itw s GLU 38 N 1.35 2.20 0.16 2.72 2.02 -0.40 -4.96 118.70 121.80 1itw s GLU 38 Ca 0.01 -1.12 0.05 0.00 0.02 0.00 0.00 54.97 53.93 1itw s GLU 38 Cb -0.16 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 1itw s GLU 38 CO -0.04 0.47 0.11 0.95 0.02 0.00 0.00 175.26 176.77 1itw s THR 39 N -1.53 4.38 -0.04 3.63 -4.23 -1.26 -0.13 115.64 116.46 1itw s THR 39 Ca 0.24 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1itw s THR 39 Cb -0.10 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.55 1itw s THR 39 CO 0.16 -0.08 -0.02 -0.13 -0.54 0.00 0.00 174.62 174.00 1itw s ARG 40 N -3.00 0.55 -0.45 3.99 1.81 -1.00 -4.90 118.95 115.96 1itw s ARG 40 Ca 0.30 -0.01 -0.23 0.00 -1.72 0.00 0.00 55.73 54.08 1itw s ARG 40 Cb -0.10 -0.66 0.02 0.00 -0.45 0.00 0.00 34.95 33.77 1itw s ARG 40 CO 0.22 -0.11 0.75 0.34 -0.68 0.00 0.00 175.30 175.82 1itw s ASP 41 N 0.99 6.39 -0.14 0.23 3.68 -1.26 -0.85 116.67 125.72 1itw s ASP 41 Ca -0.10 -0.16 0.18 0.00 2.13 0.00 0.00 52.55 54.60 1itw s ASP 41 Cb -0.14 -2.37 0.30 0.00 -1.45 0.00 0.00 42.92 39.26 1itw s ASP 41 CO -0.01 -0.88 1.16 2.30 0.13 0.00 0.00 175.17 177.87 1itw n ILE 42 N 6.07 1.91 -1.20 4.11 -5.35 -0.61 -4.43 119.36 119.86 1itw n ILE 42 Ca 0.01 -2.36 -0.32 0.00 -0.27 0.00 0.00 62.75 59.81 1itw n ILE 42 Cb 0.48 -0.23 0.11 0.00 -1.74 0.00 0.00 39.64 38.25 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 -2.91 4.08 0.16 7.28 1.04 -1.11 -4.75 113.70 117.49 1itw s SER 43 Ca 0.32 2.05 -0.16 0.00 0.48 0.00 0.00 55.95 58.65 1itw s SER 43 Cb 0.29 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.93 1itw s SER 43 CO 0.02 -2.33 1.77 0.25 0.98 0.00 0.00 173.24 173.93 1itw h LEU 44 N -1.03 0.24 -0.47 2.42 7.12 -1.88 -0.05 115.31 121.65 1itw h LEU 44 Ca -0.45 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1itw h LEU 44 Cb 1.25 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.35 1itw h LEU 44 CO 0.49 0.18 0.30 0.00 -0.13 0.00 0.00 178.44 179.28 1itw h ALA 45 N 1.22 0.60 -0.61 1.25 0.00 -1.92 -1.54 119.26 118.26 1itw h ALA 45 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1itw h ALA 45 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1itw h ALA 45 CO -0.14 0.06 0.32 0.78 0.00 0.00 0.00 179.25 180.27 1itw h GLY 46 N 0.64 0.92 1.92 0.00 0.00 -1.75 -0.51 103.07 104.29 1itw h GLY 46 Ca 0.17 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1itw h GLY 46 CO -0.04 0.42 -0.30 3.21 0.00 0.00 0.00 176.54 179.83 1itw h ARG 47 N 0.83 0.09 0.06 4.80 3.08 -0.78 -1.32 114.38 121.14 1itw h ARG 47 Ca 0.21 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1itw h ARG 47 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1itw h ARG 47 CO -0.03 0.39 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.16 1itw h LEU 48 N 0.08 -0.07 -0.84 3.04 3.38 -0.66 -3.01 115.31 117.23 1itw h LEU 48 Ca 0.01 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.64 1itw h LEU 48 Cb 0.58 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1itw h LEU 48 CO 0.04 0.37 0.53 0.40 0.09 0.00 0.00 178.44 179.87 1itw h ILE 49 N -0.52 1.09 0.00 1.22 2.04 -0.94 -2.25 117.51 118.16 1itw h ILE 49 Ca -0.01 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1itw h ILE 49 Cb 0.45 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1itw h ILE 49 CO 0.01 0.18 -0.07 0.00 0.00 0.00 0.00 178.15 178.28 1itw h ALA 50 N 1.37 1.10 0.00 1.87 0.00 -1.26 -3.13 119.26 119.21 1itw h ALA 50 Ca 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1itw h ALA 50 Cb 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1itw h ALA 50 CO -0.14 0.09 -0.66 1.15 0.00 0.00 0.00 179.25 179.69 1itw h THR 51 N 0.00 0.23 -1.88 0.00 2.02 -1.26 -3.40 112.91 108.62 1itw h THR 51 Ca -0.00 -1.37 -0.57 0.00 0.77 0.00 0.00 66.41 65.24 1itw h THR 51 Cb 0.38 1.90 -0.42 0.00 -1.74 0.00 0.00 68.15 68.27 1itw h THR 51 CO 0.01 0.13 -0.73 0.49 0.37 0.00 0.00 175.52 175.79 1itw n PHE 52 N -2.94 3.46 -0.23 3.16 3.01 -1.18 -4.90 117.46 117.84 1itw n PHE 52 Ca 0.00 -3.55 0.13 0.00 1.01 0.00 0.00 57.45 55.03 1itw n PHE 52 Cb 0.62 -0.30 0.41 0.00 -0.01 0.00 0.00 39.48 40.20 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 2.81 0.60 0.00 -1.08 0.11 -1.77 -1.92 132.00 130.74 1itw h PRO 53 Ca 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1itw h PRO 53 Cb 0.74 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1itw h PRO 53 CO 0.80 0.39 0.00 1.05 -0.21 0.00 0.00 178.00 180.04 1itw h GLU 54 N 0.61 0.00 -0.09 1.05 9.09 -1.95 -1.62 114.58 121.68 1itw h GLU 54 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1itw h GLU 54 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 1itw h GLU 54 CO -0.17 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.55 1itw n TYR 55 N -2.39 0.08 -4.33 2.06 4.02 -0.72 -4.99 117.16 110.89 1itw n TYR 55 Ca 0.00 -0.04 -0.23 0.00 -0.01 0.00 0.00 57.90 57.62 1itw n TYR 55 Cb 0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.40 1itw n TYR 55 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1itw s LEU 56 N -1.91 3.05 0.66 7.72 1.43 -0.61 -4.19 118.68 124.83 1itw s LEU 56 Ca 0.31 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1itw s LEU 56 Cb 0.20 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 1itw s LEU 56 CO 0.31 -0.02 1.06 0.42 0.23 0.00 0.00 176.35 178.34 1itw s THR 57 N -2.39 4.18 0.50 5.49 -4.23 -1.26 -4.90 115.64 113.03 1itw s THR 57 Ca 0.32 0.71 0.21 0.00 -1.18 0.00 0.00 61.69 61.74 1itw s THR 57 Cb -0.05 -3.67 0.36 0.00 1.34 0.00 0.00 72.50 70.47 1itw s THR 57 CO 0.19 -0.92 2.02 0.44 -0.54 0.00 0.00 174.62 175.80 1itw h ASP 58 N -0.49 0.10 1.00 3.99 3.32 -1.97 -1.37 116.42 121.00 1itw h ASP 58 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1itw h ASP 58 Cb 1.22 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1itw h ASP 58 CO 0.62 0.06 -0.41 0.35 -1.72 0.00 0.00 179.24 178.14 1itw n THR 59 N -4.43 0.36 0.10 0.35 -2.24 -1.26 -3.78 114.28 103.38 1itw n THR 59 Ca 0.08 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 61.68 1itw n THR 59 Cb 0.46 -0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1itw n THR 59 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1itw h GLN 60 N 0.00 0.00 -6.96 -0.78 4.20 -1.61 -3.47 115.11 106.49 1itw h GLN 60 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1itw h GLN 60 Cb 0.70 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.57 1itw h GLN 60 CO 0.00 0.21 0.60 0.15 -0.67 0.00 0.00 178.83 179.12 1itw s LYS 61 N -3.10 3.90 0.06 1.46 1.02 -1.12 -4.96 119.74 116.99 1itw s LYS 61 Ca 0.01 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.13 1itw s LYS 61 Cb 0.08 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1itw s LYS 61 CO 0.77 -0.54 -0.05 0.96 -0.92 0.00 0.00 175.35 175.57 1itw s ILE 62 N -1.29 0.38 0.65 2.17 -4.36 -1.26 -5.07 121.20 112.42 1itw s ILE 62 Ca 0.58 -1.56 -0.17 0.00 -0.26 0.00 0.00 60.65 59.24 1itw s ILE 62 Cb -0.37 -1.19 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 1itw s ILE 62 CO 0.48 -0.77 1.17 -0.94 0.24 0.00 0.00 174.94 175.11 1itw s SER 63 N -2.47 4.94 -1.16 4.36 1.04 -1.26 -4.58 113.70 114.57 1itw s SER 63 Ca 0.01 2.23 -0.17 0.00 0.48 0.00 0.00 55.95 58.50 1itw s SER 63 Cb 0.01 -2.58 0.12 0.00 0.10 0.00 0.00 66.02 63.67 1itw s SER 63 CO -0.05 -1.75 1.48 -0.62 0.98 0.00 0.00 173.24 173.27 1itw s ASP 64 N -2.05 6.85 0.51 7.02 -1.08 -1.26 -4.81 116.67 121.84 1itw s ASP 64 Ca 0.73 -2.45 0.25 0.00 -0.52 0.00 0.00 52.55 50.56 1itw s ASP 64 Cb -0.26 -2.48 1.36 0.00 -1.46 0.00 0.00 42.92 40.08 1itw s ASP 64 CO 0.38 -1.03 2.05 0.44 0.52 0.00 0.00 175.17 177.53 1itw h ASP 65 N 7.94 0.00 -0.28 -0.34 3.32 -1.92 -2.37 116.42 122.77 1itw h ASP 65 Ca 0.31 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1itw h ASP 65 Cb 0.92 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1itw h ASP 65 CO 1.31 0.14 -0.03 0.25 -1.72 0.00 0.00 179.24 179.19 1itw h LEU 66 N 0.00 0.51 -0.72 1.55 6.46 -1.88 -0.07 115.31 121.16 1itw h LEU 66 Ca -0.00 -0.33 -0.07 0.00 -0.12 0.00 0.00 57.88 57.36 1itw h LEU 66 Cb 0.36 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 1itw h LEU 66 CO 0.02 0.72 0.18 0.00 -0.62 0.00 0.00 178.44 178.74 1itw h ALA 67 N 0.81 0.94 -0.47 1.25 0.00 -1.92 -1.62 119.26 118.26 1itw h ALA 67 Ca 0.08 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1itw h ALA 67 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1itw h ALA 67 CO 0.02 0.66 0.06 1.49 0.00 0.00 0.00 179.25 181.48 1itw h GLU 68 N 1.08 0.78 -0.82 0.00 4.81 -1.24 -2.22 114.58 116.98 1itw h GLU 68 Ca 0.23 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1itw h GLU 68 Cb 0.37 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1itw h GLU 68 CO 0.00 0.81 0.44 -0.07 -0.73 0.00 0.00 179.01 179.46 1itw h LEU 69 N 0.65 1.02 -0.79 1.64 3.38 -0.84 0.13 115.31 120.50 1itw h LEU 69 Ca 0.14 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1itw h LEU 69 Cb 0.41 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1itw h LEU 69 CO 0.01 0.83 0.50 1.23 0.09 0.00 0.00 178.44 181.11 1itw h GLY 70 N 1.17 1.14 0.88 0.83 0.00 -0.99 0.12 103.07 106.22 1itw h GLY 70 Ca 0.29 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1itw h GLY 70 CO -0.04 0.32 -0.13 0.50 0.00 0.00 0.00 176.54 177.19 1itw h LYS 71 N 0.98 0.56 -0.84 4.80 1.57 -0.77 -3.05 116.57 119.82 1itw h LYS 71 Ca 0.32 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1itw h LYS 71 Cb 0.01 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1itw h LYS 71 CO -0.11 0.81 0.55 1.25 -0.57 0.00 0.00 179.45 181.37 1itw h LEU 72 N 0.30 0.87 -2.68 2.94 5.85 -0.38 -1.83 115.31 120.37 1itw h LEU 72 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1itw h LEU 72 Cb 0.63 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1itw h LEU 72 CO 0.04 0.59 0.02 0.00 -0.34 0.00 0.00 178.44 178.75 1itw h ALA 73 N 1.52 1.02 -0.59 1.25 0.00 -0.68 -0.51 119.26 121.28 1itw h ALA 73 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1itw h ALA 73 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1itw h ALA 73 CO -0.11 -0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.37 1itw n THR 74 N -2.93 2.17 -4.26 0.00 -2.24 -0.69 -4.59 114.28 101.74 1itw n THR 74 Ca -0.03 -1.32 -0.30 0.00 -2.27 0.00 0.00 64.05 60.14 1itw n THR 74 Cb 0.08 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.21 3.23 0.46 4.28 -4.23 -0.20 -4.84 115.64 112.13 1itw s THR 75 Ca 0.51 -1.32 0.14 0.00 -1.18 0.00 0.00 61.69 59.84 1itw s THR 75 Cb 0.36 -2.50 0.21 0.00 1.34 0.00 0.00 72.50 71.90 1itw s THR 75 CO 0.20 0.12 2.03 -0.65 -0.54 0.00 0.00 174.62 175.78 1itw h PRO 76 N 3.67 0.04 -0.01 3.99 0.11 -1.85 -2.96 132.00 135.00 1itw h PRO 76 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1itw h PRO 76 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1itw h PRO 76 CO 0.51 0.16 0.00 -3.47 -0.21 0.00 0.00 178.00 174.99 1itw n ASP 77 N -4.38 0.78 -4.74 -2.05 2.03 -1.26 -3.11 116.55 103.81 1itw n ASP 77 Ca -0.02 -1.27 -0.42 0.00 0.52 0.00 0.00 54.79 53.60 1itw n ASP 77 Cb 0.20 -0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.58 1itw n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1itw s ALA 78 N -2.00 3.77 -0.29 -1.67 0.00 -1.12 -4.90 121.76 115.56 1itw s ALA 78 Ca 0.42 1.53 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 1itw s ALA 78 Cb 0.21 -3.64 0.13 0.00 0.00 0.00 0.00 23.12 19.82 1itw s ALA 78 CO 0.35 -0.92 0.28 1.21 0.00 0.00 0.00 175.76 176.68 1itw s ASN 79 N 0.67 1.84 -0.09 0.00 3.84 -1.24 -0.65 114.94 119.32 1itw s ASN 79 Ca 0.66 -0.85 0.05 0.00 0.21 0.00 0.00 52.86 52.92 1itw s ASN 79 Cb -0.47 0.43 -0.00 0.00 -0.55 0.00 0.00 41.25 40.65 1itw s ASN 79 CO 0.43 -0.39 -0.24 -0.63 -2.79 0.00 0.00 177.10 173.48 1itw s ILE 80 N 2.29 2.03 -0.32 -5.21 1.01 -0.23 -0.62 121.20 120.16 1itw s ILE 80 Ca 0.10 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 1itw s ILE 80 Cb -0.14 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1itw s ILE 80 CO -0.32 0.56 0.13 -0.63 0.00 0.00 0.00 174.94 174.68 1itw s ILE 81 N 0.20 4.31 -0.27 2.92 1.01 0.61 0.53 121.20 130.50 1itw s ILE 81 Ca -0.14 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1itw s ILE 81 Cb -0.17 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1itw s ILE 81 CO 0.07 0.01 0.09 -0.75 0.00 0.00 0.00 174.94 174.36 1itw s LYS 82 N 1.55 3.48 0.31 2.79 2.47 0.10 -1.76 119.74 128.68 1itw s LYS 82 Ca 0.03 -0.60 -0.00 0.00 -1.56 0.00 0.00 55.97 53.83 1itw s LYS 82 Cb -0.18 -3.39 -0.04 0.00 -1.46 0.00 0.00 37.83 32.77 1itw s LYS 82 CO 0.05 -0.29 0.52 -0.51 0.16 0.00 0.00 175.35 175.28 1itw s LEU 83 N 1.59 4.06 0.46 5.43 1.02 -1.26 -0.78 118.68 129.21 1itw s LEU 83 Ca 0.05 0.48 -0.23 0.00 0.02 0.00 0.00 54.13 54.45 1itw s LEU 83 Cb -0.16 -3.32 -0.09 0.00 0.02 0.00 0.00 46.19 42.65 1itw s LEU 83 CO 0.04 -0.24 1.08 -2.65 0.02 0.00 0.00 176.35 174.60 1itw n PRO 84 N -1.47 1.42 -4.18 1.29 -0.02 -1.26 -4.93 135.00 125.84 1itw n PRO 84 Ca -0.04 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1itw n PRO 84 Cb 0.55 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.80 0.25 0.13 2.55 4.22 -1.26 -4.30 114.94 115.73 1itw s ASN 85 Ca 0.65 -1.36 -0.30 0.00 -2.14 0.00 0.00 52.86 49.72 1itw s ASN 85 Cb -0.51 0.43 -0.06 0.00 1.28 0.00 0.00 41.25 42.39 1itw s ASN 85 CO 0.55 -0.91 0.95 -0.63 -2.04 0.00 0.00 177.10 175.02 1itw s ILE 86 N -4.06 4.45 -0.71 0.54 1.01 -1.26 -4.53 121.20 116.63 1itw s ILE 86 Ca 0.37 2.06 -0.05 0.00 0.00 0.00 0.00 60.65 63.02 1itw s ILE 86 Cb 0.05 -4.32 0.18 0.00 0.01 0.00 0.00 42.46 38.39 1itw s ILE 86 CO 0.13 0.34 0.57 -0.44 0.00 0.00 0.00 174.94 175.54 1itw s SER 87 N -0.17 5.70 0.19 3.58 0.01 -1.26 -4.87 113.70 116.88 1itw s SER 87 Ca 0.46 -2.95 -0.33 0.00 1.31 0.00 0.00 55.95 54.44 1itw s SER 87 Cb -0.24 -1.95 -0.13 0.00 0.21 0.00 0.00 66.02 63.92 1itw s SER 87 CO 0.30 -0.39 1.63 0.00 0.41 0.00 0.00 173.24 175.19 1itw n ALA 88 N 3.43 2.00 -1.93 1.44 0.00 -1.24 -4.49 120.51 119.71 1itw n ALA 88 Ca 0.11 0.42 -0.26 0.00 0.00 0.00 0.00 53.44 53.71 1itw n ALA 88 Cb 0.40 -2.42 0.08 0.00 0.00 0.00 0.00 19.45 17.51 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 0.95 4.64 0.20 0.00 1.04 -1.26 -1.07 113.70 118.20 1itw s SER 89 Ca 0.76 0.44 -0.11 0.00 0.48 0.00 0.00 55.95 57.52 1itw s SER 89 Cb -0.60 -1.02 0.13 0.00 0.10 0.00 0.00 66.02 64.63 1itw s SER 89 CO 0.37 -1.72 1.86 0.58 0.98 0.00 0.00 173.24 175.30 1itw h VAL 90 N -0.72 1.19 -0.89 5.02 2.07 -1.99 -1.63 116.25 119.30 1itw h VAL 90 Ca -0.44 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1itw h VAL 90 Cb 1.31 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1itw h VAL 90 CO 0.59 0.19 0.59 -0.65 0.02 0.00 0.00 177.57 178.30 1itw h PRO 91 N 0.95 1.12 -0.45 1.57 0.11 -1.99 -0.60 132.00 132.70 1itw h PRO 91 Ca 0.25 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 1itw h PRO 91 Cb -0.08 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.76 1itw h PRO 91 CO -0.05 0.74 -0.08 1.96 -0.21 0.00 0.00 178.00 180.36 1itw h GLN 92 N 1.15 0.85 -0.37 1.05 4.20 -1.83 -0.72 115.11 119.44 1itw h GLN 92 Ca 0.34 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.76 1itw h GLN 92 Cb -0.05 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1itw h GLN 92 CO -0.09 0.95 0.21 1.25 -0.67 0.00 0.00 178.83 180.48 1itw h LEU 93 N 0.69 0.34 -0.64 1.46 5.85 -0.80 -0.46 115.31 121.76 1itw h LEU 93 Ca 0.12 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1itw h LEU 93 Cb 0.62 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1itw h LEU 93 CO 0.04 0.25 0.22 0.11 -0.34 0.00 0.00 178.44 178.71 1itw h LYS 94 N 0.44 0.99 -0.71 1.25 1.57 -0.97 -1.02 116.57 118.11 1itw h LYS 94 Ca 0.15 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1itw h LYS 94 Cb 0.01 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1itw h LYS 94 CO -0.08 0.86 0.33 0.00 -0.57 0.00 0.00 179.45 179.99 1itw h ALA 95 N 1.08 1.25 -0.26 3.86 0.00 -0.69 -0.29 119.26 124.21 1itw h ALA 95 Ca 0.21 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1itw h ALA 95 Cb 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1itw h ALA 95 CO -0.01 0.57 -0.61 0.00 0.00 0.00 0.00 179.25 179.21 1itw h ALA 96 N 1.35 0.43 -0.41 0.00 0.00 -0.83 -1.74 119.26 118.05 1itw h ALA 96 Ca 0.24 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1itw h ALA 96 Cb 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1itw h ALA 96 CO -0.03 0.68 0.20 0.82 0.00 0.00 0.00 179.25 180.92 1itw h ILE 97 N 0.65 1.18 -0.44 0.00 2.04 -0.81 -2.00 117.51 118.14 1itw h ILE 97 Ca -0.00 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1itw h ILE 97 Cb 1.22 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1itw h ILE 97 CO 0.13 0.19 0.27 0.50 0.00 0.00 0.00 178.15 179.25 1itw h LYS 98 N 0.53 0.58 -0.44 2.37 3.64 -1.00 -0.81 116.57 121.44 1itw h LYS 98 Ca 0.14 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1itw h LYS 98 Cb 0.12 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1itw h LYS 98 CO -0.02 0.42 0.24 1.49 -2.27 0.00 0.00 179.45 179.31 1itw h GLU 99 N 0.58 0.47 -0.63 1.90 4.81 -1.13 -0.43 114.58 120.14 1itw h GLU 99 Ca 0.16 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1itw h GLU 99 Cb -0.03 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1itw h GLU 99 CO -0.03 0.31 0.26 -0.07 -0.73 0.00 0.00 179.01 178.75 1itw h LEU 100 N 0.48 0.86 -0.81 1.64 3.38 -1.08 -1.36 115.31 118.43 1itw h LEU 100 Ca 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1itw h LEU 100 Cb 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1itw h LEU 100 CO -0.11 0.79 0.43 1.56 0.09 0.00 0.00 178.44 181.20 1itw h GLN 101 N 0.88 1.15 0.00 1.13 4.20 -0.71 0.15 115.11 121.92 1itw h GLN 101 Ca 0.21 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1itw h GLN 101 Cb 0.19 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1itw h GLN 101 CO -0.02 0.86 -0.11 1.96 -0.67 0.00 0.00 178.83 180.85 1itw h GLN 102 N 1.14 0.00 -0.05 1.46 4.20 -0.64 -0.82 115.11 120.40 1itw h GLN 102 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1itw h GLN 102 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1itw h GLN 102 CO -0.04 0.11 0.00 1.04 -0.67 0.00 0.00 178.83 179.27 1itw n GLN 103 N -3.53 1.69 0.00 1.46 6.02 -0.15 -4.93 117.38 117.95 1itw n GLN 103 Ca -0.01 -1.01 0.00 0.00 -0.01 0.00 0.00 57.00 55.97 1itw n GLN 103 Cb 0.25 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.05 1itw n GLN 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1itw n GLY 104 N 1.17 0.54 3.54 1.08 0.00 -0.31 -5.05 105.19 106.15 1itw n GLY 104 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 2.90 -0.29 1.61 1.51 -0.14 -4.92 117.35 116.02 1itw s TYR 105 Ca 0.00 0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 56.14 1itw s TYR 105 Cb 0.00 -3.89 -0.15 0.00 -0.11 0.00 0.00 41.96 37.81 1itw s TYR 105 CO 0.00 -1.15 2.52 1.63 -1.11 0.00 0.00 175.55 177.43 1itw n LYS 106 N 7.09 1.64 -2.30 -0.62 5.02 -1.26 -3.33 118.16 124.40 1itw n LYS 106 Ca 0.03 -0.92 -0.37 0.00 -2.02 0.00 0.00 58.31 55.03 1itw n LYS 106 Cb 0.48 -2.02 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 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 0.03 4.04 0.55 -0.35 1.43 -1.26 -4.88 118.68 118.24 1itw s LEU 107 Ca 0.45 2.27 -0.19 0.00 -1.03 0.00 0.00 54.13 55.64 1itw s LEU 107 Cb 0.19 -4.22 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 1itw s LEU 107 CO -0.01 -0.85 1.09 -2.16 0.23 0.00 0.00 176.35 174.65 1itw s PRO 108 N -2.65 3.40 0.87 1.29 0.04 -1.26 -4.96 135.00 131.73 1itw s PRO 108 Ca 0.62 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 1itw s PRO 108 Cb -0.28 -2.03 0.12 0.00 0.04 0.00 0.00 34.50 32.35 1itw s PRO 108 CO 0.34 -0.78 1.11 -0.51 0.04 0.00 0.00 177.00 177.20 1itw s ASP 109 N -2.09 3.54 -0.33 6.66 1.01 -1.26 -4.96 116.67 119.24 1itw s ASP 109 Ca 0.69 1.86 -0.23 0.00 0.71 0.00 0.00 52.55 55.58 1itw s ASP 109 Cb -0.20 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1itw s ASP 109 CO 0.28 -2.66 0.78 -0.47 0.21 0.00 0.00 175.17 173.32 1itw s TYR 110 N -2.80 3.16 -0.47 4.23 5.04 -1.26 -4.90 117.35 120.35 1itw s TYR 110 Ca 0.64 0.69 -0.21 0.00 -2.44 0.00 0.00 57.07 55.75 1itw s TYR 110 Cb -0.20 -3.30 0.04 0.00 0.35 0.00 0.00 41.96 38.85 1itw s TYR 110 CO 0.57 -0.64 0.69 -1.25 -1.34 0.00 0.00 175.55 173.58 1itw s PRO 111 N 3.01 3.25 0.33 4.97 0.04 -1.26 -4.92 135.00 140.43 1itw s PRO 111 Ca 0.32 -0.47 0.07 0.00 0.04 0.00 0.00 61.00 60.96 1itw s PRO 111 Cb -0.14 -4.00 0.58 0.00 0.04 0.00 0.00 34.50 30.98 1itw s PRO 111 CO 0.14 -1.14 1.79 0.93 0.04 0.00 0.00 177.00 178.77 1itw h GLU 112 N 8.98 0.26 -2.72 4.56 5.08 -1.97 -3.35 114.58 125.43 1itw h GLU 112 Ca -0.26 -0.09 -0.60 0.00 -1.00 0.00 0.00 59.36 57.40 1itw h GLU 112 Cb 1.09 -0.02 -0.40 0.00 0.50 0.00 0.00 28.75 29.93 1itw h GLU 112 CO 0.94 0.53 -0.79 -1.21 -1.00 0.00 0.00 179.01 177.48 1itw s GLU 113 N -4.41 1.55 0.30 2.33 2.02 -1.26 -5.11 118.70 114.11 1itw s GLU 113 Ca -0.05 -2.57 -0.30 0.00 0.02 0.00 0.00 54.97 52.08 1itw s GLU 113 Cb 0.14 -2.29 -0.11 0.00 0.10 0.00 0.00 34.13 31.97 1itw s GLU 113 CO 0.76 -1.32 1.54 -2.14 0.02 0.00 0.00 175.26 174.12 1itw s PRO 114 N -0.48 4.16 0.00 0.39 0.02 -1.26 -4.92 135.00 132.91 1itw s PRO 114 Ca 0.28 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1itw s PRO 114 Cb -0.03 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1itw s PRO 114 CO -0.16 -0.56 0.31 1.63 -0.33 0.00 0.00 177.00 177.88 1itw n LYS 115 N 1.92 0.03 -4.24 5.54 4.76 -1.26 -4.89 118.16 120.03 1itw n LYS 115 Ca 0.07 -0.35 -0.17 0.00 -2.87 0.00 0.00 58.31 54.98 1itw n LYS 115 Cb 0.38 -0.67 -0.11 0.00 -1.84 0.00 0.00 35.03 32.79 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 -0.09 1.27 0.25 -0.18 -4.23 -1.26 -5.04 115.64 106.35 1itw s THR 116 Ca 0.00 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 58.69 1itw s THR 116 Cb 0.00 -1.58 0.22 0.00 1.34 0.00 0.00 72.50 72.48 1itw s THR 116 CO 0.00 -0.50 1.76 0.44 -0.54 0.00 0.00 174.62 175.78 1itw h ASP 117 N 3.36 0.45 -0.23 3.99 3.45 -1.99 -0.49 116.42 124.95 1itw h ASP 117 Ca -0.39 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.14 1itw h ASP 117 Cb 1.20 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 1itw h ASP 117 CO 0.54 0.21 0.09 0.74 -1.57 0.00 0.00 179.24 179.24 1itw h THR 118 N 0.58 1.17 -0.53 0.35 2.02 -1.99 -1.75 112.91 112.76 1itw h THR 118 Ca 0.42 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1itw h THR 118 Cb 0.56 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1itw h THR 118 CO -0.34 0.17 0.08 -0.33 0.37 0.00 0.00 175.52 175.47 1itw h GLU 119 N 0.22 0.83 -0.66 6.66 5.08 -1.80 -0.66 114.58 124.25 1itw h GLU 119 Ca 0.08 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1itw h GLU 119 Cb 0.19 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1itw h GLU 119 CO -0.01 0.78 0.08 0.87 -1.00 0.00 0.00 179.01 179.73 1itw h LYS 120 N 0.79 1.11 -0.19 2.33 1.57 -0.94 0.12 116.57 121.35 1itw h LYS 120 Ca 0.17 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1itw h LYS 120 Cb 0.36 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1itw h LYS 120 CO 0.01 1.03 0.01 0.22 -0.57 0.00 0.00 179.45 180.14 1itw h ASP 121 N 1.03 0.33 0.03 0.86 1.82 -1.01 -2.37 116.42 117.11 1itw h ASP 121 Ca 0.20 -0.30 -0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1itw h ASP 121 Cb 0.48 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1itw h ASP 121 CO 0.02 0.54 -0.01 0.58 -1.61 0.00 0.00 179.24 178.76 1itw h VAL 122 N 0.10 1.01 -0.41 2.25 2.07 -0.87 -2.22 116.25 118.19 1itw h VAL 122 Ca 0.06 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1itw h VAL 122 Cb 0.37 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1itw h VAL 122 CO 0.01 0.03 0.26 0.50 0.02 0.00 0.00 177.57 178.38 1itw h LYS 123 N -0.09 0.51 -0.88 1.57 3.64 -0.80 -0.20 116.57 120.31 1itw h LYS 123 Ca -0.00 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1itw h LYS 123 Cb 0.08 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 1itw h LYS 123 CO 0.01 0.34 0.54 0.00 -2.27 0.00 0.00 179.45 178.07 1itw h ALA 124 N 1.16 1.23 -0.25 5.00 0.00 -1.34 0.15 119.26 125.22 1itw h ALA 124 Ca 0.15 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1itw h ALA 124 Cb -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1itw h ALA 124 CO -0.05 0.27 -0.35 0.00 0.00 0.00 0.00 179.25 179.11 1itw h ARG 125 N 0.97 0.68 -0.44 0.00 3.08 -0.87 -3.11 114.38 114.69 1itw h ARG 125 Ca 0.39 -0.40 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1itw h ARG 125 Cb 0.22 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1itw h ARG 125 CO -0.19 1.02 0.05 1.88 -1.07 0.00 0.00 179.97 181.66 1itw h TYR 126 N 0.40 0.72 0.00 3.04 0.99 -0.59 -2.67 116.97 118.86 1itw h TYR 126 Ca 0.03 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1itw h TYR 126 Cb 0.94 -0.21 -0.00 0.00 1.00 0.00 0.00 36.73 38.46 1itw h TYR 126 CO 0.08 0.65 -0.10 -0.44 -0.00 0.00 0.00 178.16 178.35 1itw h ASP 127 N 0.66 0.00 1.37 3.88 3.32 -0.65 -0.17 116.42 124.83 1itw h ASP 127 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1itw h ASP 127 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1itw h ASP 127 CO 0.01 0.10 -0.04 0.29 -1.72 0.00 0.00 179.24 177.87 1itw n LYS 128 N -3.86 0.23 -0.02 3.56 5.02 -1.01 -3.61 118.16 118.48 1itw n LYS 128 Ca -0.02 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.31 1itw n LYS 128 Cb 0.19 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.31 1itw n LYS 128 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1itw n ILE 129 N -2.14 1.66 -1.88 -0.18 2.08 -0.13 -4.82 119.36 113.95 1itw n ILE 129 Ca 0.06 -0.75 -0.29 0.00 0.56 0.00 0.00 62.75 62.33 1itw n ILE 129 Cb 0.42 -1.26 0.11 0.00 -0.75 0.00 0.00 39.64 38.16 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 -2.58 1.61 1.93 0.38 -2.85 -0.84 -4.69 119.74 112.70 1itw s LYS 130 Ca -0.11 0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 1itw s LYS 130 Cb 0.07 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 1itw s LYS 130 CO 0.80 -1.82 0.00 0.41 0.10 0.00 0.00 175.35 174.84 1itw n GLY 131 N -3.32 -1.09 3.47 0.59 0.00 -0.23 -4.32 105.19 100.30 1itw n GLY 131 Ca 0.09 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1itw n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1itw n SER 132 N -0.77 4.56 0.03 1.61 2.88 -1.26 -3.72 113.62 116.95 1itw n SER 132 Ca 0.00 -2.88 0.07 0.00 -1.33 0.00 0.00 58.87 54.73 1itw n SER 132 Cb 0.00 -1.73 -0.09 0.00 -0.75 0.00 0.00 64.21 61.65 1itw n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1itw n ALA 133 N 8.79 2.43 -0.04 -1.46 0.00 -1.26 -4.54 120.51 124.43 1itw n ALA 133 Ca 0.49 -0.48 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 1itw n ALA 133 Cb 0.45 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 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 1.25 -0.84 0.00 2.07 -1.92 -3.38 116.25 113.44 1itw h VAL 134 Ca -0.07 -2.34 0.10 0.00 0.82 0.00 0.00 66.70 65.21 1itw h VAL 134 Cb 1.21 2.81 -0.08 0.00 -1.52 0.00 0.00 31.29 33.71 1itw h VAL 134 CO 0.01 0.57 0.48 0.78 0.02 0.00 0.00 177.57 179.43 1itw h ASN 135 N -0.69 0.67 0.17 0.57 -0.26 -1.98 -1.66 115.58 112.40 1itw h ASN 135 Ca -0.22 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.57 1itw h ASN 135 Cb 1.42 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 38.60 1itw h ASN 135 CO -0.02 0.37 -0.04 -0.65 -1.06 0.00 0.00 177.43 176.03 1itw h PRO 136 N 0.78 0.00 0.16 0.81 0.11 -1.80 -0.91 132.00 131.15 1itw h PRO 136 Ca 0.41 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.17 1itw h PRO 136 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1itw h PRO 136 CO -0.26 0.04 -1.78 0.28 -0.21 0.00 0.00 178.00 176.06 1itw h VAL 137 N 0.00 0.85 0.00 3.15 2.07 -1.50 -3.40 116.25 117.43 1itw h VAL 137 Ca -0.00 -2.44 -0.22 0.00 0.82 0.00 0.00 66.70 64.85 1itw h VAL 137 Cb 0.13 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1itw h VAL 137 CO 0.01 0.85 -1.24 -0.07 0.02 0.00 0.00 177.57 177.14 1itw h LEU 138 N 0.04 0.00 -6.02 2.57 3.38 -1.24 -3.42 115.31 110.62 1itw h LEU 138 Ca -0.36 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.93 1itw h LEU 138 Cb 2.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.78 1itw h LEU 138 CO 0.13 0.91 2.93 0.54 0.09 0.00 0.00 178.44 183.04 1itw n ARG 139 N -3.19 2.48 -1.65 1.13 1.74 -0.36 -4.66 116.66 112.15 1itw n ARG 139 Ca -0.07 -2.28 -0.36 0.00 -0.77 0.00 0.00 57.85 54.38 1itw n ARG 139 Cb 0.95 -3.09 0.04 0.00 -1.02 0.00 0.00 32.46 29.34 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 6.05 2.64 -3.83 5.56 -0.58 -1.26 -3.40 120.64 125.81 1itw n GLU 140 Ca 0.53 -3.21 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 1itw n GLU 140 Cb 0.37 -2.23 0.01 0.00 -0.57 0.00 0.00 31.44 29.02 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 -1.05 -0.15 0.68 0.62 0.00 -1.26 -1.63 107.32 104.53 1itw s GLY 141 Ca 0.55 0.12 0.01 0.00 0.00 0.00 0.00 44.72 45.40 1itw s GLY 141 CO -0.26 2.61 0.94 -1.31 0.00 0.00 0.00 173.10 175.09 1itw s ASN 142 N -3.38 4.54 -0.18 1.64 0.01 -1.26 -2.83 114.94 113.49 1itw s ASN 142 Ca 0.21 -0.38 -0.05 0.00 -0.71 0.00 0.00 52.86 51.93 1itw s ASN 142 Cb 0.00 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.55 1itw s ASN 142 CO 0.00 -1.72 0.01 -0.55 -1.51 0.00 0.00 177.10 173.33 1itw s SER 143 N -4.69 5.10 -0.53 -1.22 0.15 0.32 -3.84 113.70 108.99 1itw s SER 143 Ca 0.65 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 57.26 1itw s SER 143 Cb -0.06 -1.86 0.13 0.00 -1.71 0.00 0.00 66.02 62.52 1itw s SER 143 CO 0.43 0.14 0.27 -0.62 1.20 0.00 0.00 173.24 174.66 1itw s ASP 144 N 0.55 4.32 -0.19 5.45 2.15 -0.39 -0.33 116.67 128.22 1itw s ASP 144 Ca -0.00 -3.05 -0.03 0.00 0.43 0.00 0.00 52.55 49.90 1itw s ASP 144 Cb -0.14 -1.63 -0.01 0.00 -0.30 0.00 0.00 42.92 40.85 1itw s ASP 144 CO 0.02 -0.22 -0.07 -0.60 -0.17 0.00 0.00 175.17 174.13 1itw s ARG 145 N -0.34 3.37 -0.03 4.34 3.52 -0.88 -1.24 118.95 127.69 1itw s ARG 145 Ca 0.17 -0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 54.84 1itw s ARG 145 Cb -0.25 -2.90 0.09 0.00 -1.56 0.00 0.00 34.95 30.34 1itw s ARG 145 CO -0.01 -0.09 0.80 -0.98 -0.81 0.00 0.00 175.30 174.22 1itw s ARG 146 N 1.16 0.92 0.29 5.12 1.70 -0.20 -2.20 118.95 125.74 1itw s ARG 146 Ca 0.02 -0.06 -0.24 0.00 -0.47 0.00 0.00 55.73 54.99 1itw s ARG 146 Cb -0.14 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 1itw s ARG 146 CO -0.02 -0.34 0.86 0.00 -1.08 0.00 0.00 175.30 174.72 1itw s ALA 147 N -2.16 3.28 0.59 7.88 0.00 -1.26 -0.10 121.76 129.99 1itw s ALA 147 Ca -0.02 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 1itw s ALA 147 Cb -0.01 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1itw s ALA 147 CO -0.02 0.23 1.13 -2.14 0.00 0.00 0.00 175.76 174.96 1itw s PRO 148 N -2.03 3.15 0.44 0.00 0.02 -1.26 -4.84 135.00 130.47 1itw s PRO 148 Ca 0.48 1.55 0.14 0.00 0.02 0.00 0.00 61.00 63.18 1itw s PRO 148 Cb -0.18 -1.98 1.04 0.00 0.02 0.00 0.00 34.50 33.40 1itw s PRO 148 CO 0.23 -1.00 1.98 1.25 -0.33 0.00 0.00 177.00 179.12 1itw h LEU 149 N 0.78 0.36 -0.77 -5.54 5.85 -1.99 -0.68 115.31 113.31 1itw h LEU 149 Ca -0.49 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1itw h LEU 149 Cb 1.26 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1itw h LEU 149 CO 0.56 0.22 0.49 0.77 -0.34 0.00 0.00 178.44 180.14 1itw h SER 150 N 0.40 0.90 -0.26 1.25 4.64 -1.99 0.40 113.55 118.89 1itw h SER 150 Ca 0.27 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.36 1itw h SER 150 Cb 0.54 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1itw h SER 150 CO -0.07 0.67 -0.58 0.58 -0.87 0.00 0.00 176.83 176.56 1itw h VAL 151 N 1.05 1.28 0.19 0.95 2.07 -1.52 -2.11 116.25 118.15 1itw h VAL 151 Ca 0.28 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 1itw h VAL 151 Cb -0.09 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1itw h VAL 151 CO -0.06 0.57 -0.09 0.50 0.02 0.00 0.00 177.57 178.51 1itw h LYS 152 N 0.63 -0.25 -0.43 1.57 1.63 -1.08 -1.15 116.57 117.50 1itw h LYS 152 Ca 0.00 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1itw h LYS 152 Cb 1.20 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.86 1itw h LYS 152 CO 0.13 -0.01 0.29 -0.91 -3.45 0.00 0.00 179.45 175.49 1itw h ASN 153 N -0.46 0.45 -0.37 4.20 2.35 -0.98 -0.97 115.58 119.79 1itw h ASN 153 Ca -0.03 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1itw h ASN 153 Cb 0.35 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1itw h ASN 153 CO 0.04 0.32 -0.00 0.22 -1.65 0.00 0.00 177.43 176.36 1itw h TYR 154 N 0.52 0.72 -0.66 1.19 3.20 -1.13 -2.60 116.97 118.21 1itw h TYR 154 Ca 0.17 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1itw h TYR 154 Cb 0.03 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1itw h TYR 154 CO -0.00 0.75 0.38 0.00 -1.64 0.00 0.00 178.16 177.65 1itw h ALA 155 N 0.87 0.84 -0.89 1.82 0.00 -0.20 0.12 119.26 121.82 1itw h ALA 155 Ca 0.10 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1itw h ALA 155 Cb 0.47 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1itw h ALA 155 CO 0.02 0.34 0.55 0.00 0.00 0.00 0.00 179.25 180.16 1itw h ARG 156 N 0.90 0.95 0.00 0.00 3.08 -1.08 -1.51 114.38 116.71 1itw h ARG 156 Ca 0.23 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 1itw h ARG 156 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1itw h ARG 156 CO -0.04 0.63 -0.34 0.87 -1.07 0.00 0.00 179.97 180.01 1itw h LYS 157 N 0.97 0.00 -2.06 0.04 1.57 -1.07 -3.39 116.57 112.64 1itw h LYS 157 Ca 0.40 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.61 1itw h LYS 157 Cb 0.24 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.15 1itw h LYS 157 CO -0.20 0.19 -0.95 0.72 -0.57 0.00 0.00 179.45 178.64 1itw n HIS 158 N -3.09 0.93 -1.63 -1.35 8.25 -0.01 -5.11 115.22 113.21 1itw n HIS 158 Ca 0.02 -3.75 -0.48 0.00 -0.26 0.00 0.00 57.72 53.25 1itw n HIS 158 Cb 0.62 -0.42 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 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 1.20 1.71 -2.41 -0.41 -0.02 -0.64 -4.66 135.00 129.77 1itw n PRO 159 Ca 0.24 0.61 -0.27 0.00 -2.02 0.00 0.00 63.50 62.06 1itw n PRO 159 Cb 0.49 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.49 3.36 0.20 6.00 -3.43 -1.26 -5.02 115.29 115.63 1itw s HIS 160 Ca 0.78 0.74 -0.30 0.00 -0.80 0.00 0.00 55.06 55.48 1itw s HIS 160 Cb -0.78 -2.63 -0.08 0.00 -1.43 0.00 0.00 32.58 27.65 1itw s HIS 160 CO 0.44 -0.68 1.22 0.15 -2.00 0.00 0.00 174.74 173.87 1itw s LYS 161 N -4.95 4.47 -0.14 -0.38 1.02 -1.26 -4.94 119.74 113.57 1itw s LYS 161 Ca 0.52 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.44 1itw s LYS 161 Cb -0.10 -3.22 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1itw s LYS 161 CO 0.46 -0.11 -0.12 -1.64 -0.92 0.00 0.00 175.35 173.03 1itw s MET 162 N -0.38 2.02 0.28 1.68 -1.94 -1.26 -5.02 119.30 114.68 1itw s MET 162 Ca 0.53 -0.49 -0.30 0.00 -1.71 0.00 0.00 55.69 53.72 1itw s MET 162 Cb -0.34 -1.97 -0.12 0.00 2.01 0.00 0.00 34.83 34.41 1itw s MET 162 CO 0.38 -0.27 1.48 0.41 -0.01 0.00 0.00 175.02 177.01 1itw n GLY 163 N 4.82 1.02 3.77 -0.03 0.00 -0.60 -4.93 105.19 109.23 1itw n GLY 163 Ca -0.15 0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 1itw n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itw s ALA 164 N -0.24 2.75 -0.05 4.61 0.00 -1.26 -4.06 121.76 123.50 1itw s ALA 164 Ca 0.64 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.58 1itw s ALA 164 Cb -0.56 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 1itw s ALA 164 CO 0.52 -0.90 -0.12 -1.58 0.00 0.00 0.00 175.76 173.68 1itw s TRP 165 N -1.61 2.78 -0.07 0.00 0.52 -1.26 -4.38 118.94 114.92 1itw s TRP 165 Ca 0.71 -0.10 -0.00 0.00 0.02 0.00 0.00 56.10 56.73 1itw s TRP 165 Cb -0.29 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 1itw s TRP 165 CO 0.33 0.25 -0.03 0.45 0.02 0.00 0.00 176.95 177.96 1itw s SER 166 N -0.83 4.94 0.44 2.95 0.15 -1.26 -4.76 113.70 115.33 1itw s SER 166 Ca 0.12 0.05 0.30 0.00 0.70 0.00 0.00 55.95 57.13 1itw s SER 166 Cb -0.11 -1.31 1.33 0.00 -1.71 0.00 0.00 66.02 64.22 1itw s SER 166 CO 0.01 0.36 1.90 0.00 1.20 0.00 0.00 173.24 176.72 1itw h ALA 167 N 5.13 1.00 -0.49 5.45 0.00 -1.90 -2.07 119.26 126.38 1itw h ALA 167 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1itw h ALA 167 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1itw h ALA 167 CO 0.53 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.53 1itw n ASP 168 N -2.71 3.84 -4.77 0.00 8.00 -1.26 -4.96 116.55 114.69 1itw n ASP 168 Ca 0.01 -2.38 -0.40 0.00 0.71 0.00 0.00 54.79 52.72 1itw n ASP 168 Cb 0.23 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1itw n ASP 168 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1itw s SER 169 N -0.77 6.18 0.00 -2.24 0.15 -0.78 -4.90 113.70 111.34 1itw s SER 169 Ca 0.39 2.87 0.23 0.00 0.70 0.00 0.00 55.95 60.15 1itw s SER 169 Cb 0.26 -2.65 0.43 0.00 -1.71 0.00 0.00 66.02 62.35 1itw s SER 169 CO 0.18 -0.96 1.40 0.29 1.20 0.00 0.00 173.24 175.35 1itw n LYS 170 N 0.15 2.39 -2.37 5.44 5.02 -1.26 -4.97 118.16 122.55 1itw n LYS 170 Ca 0.03 -2.08 -0.38 0.00 -2.02 0.00 0.00 58.31 53.86 1itw n LYS 170 Cb 0.41 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.59 6.75 0.03 4.39 0.01 -1.26 -4.71 113.70 117.32 1itw s SER 171 Ca 0.36 2.29 -0.29 0.00 1.31 0.00 0.00 55.95 59.63 1itw s SER 171 Cb 0.22 -2.61 0.10 0.00 0.21 0.00 0.00 66.02 63.93 1itw s SER 171 CO 0.31 -0.51 1.05 -1.38 0.41 0.00 0.00 173.24 173.12 1itw s HIS 172 N -1.39 -0.16 -0.12 2.43 -3.43 -1.03 -4.97 115.29 106.61 1itw s HIS 172 Ca 0.54 -0.02 -0.12 0.00 -0.80 0.00 0.00 55.06 54.66 1itw s HIS 172 Cb -0.30 0.58 -0.05 0.00 -1.43 0.00 0.00 32.58 31.38 1itw s HIS 172 CO 0.38 -0.54 0.28 0.08 -2.00 0.00 0.00 174.74 172.93 1itw s VAL 173 N -2.93 5.29 -0.18 -5.38 1.01 -1.26 -0.79 120.40 116.16 1itw s VAL 173 Ca 0.10 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 1itw s VAL 173 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1itw s VAL 173 CO -0.03 0.48 -0.06 0.00 0.00 0.00 0.00 175.10 175.50 1itw s ALA 174 N -0.18 2.84 0.21 5.51 0.00 0.10 -4.90 121.76 125.34 1itw s ALA 174 Ca 0.17 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1itw s ALA 174 Cb -0.13 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 1itw s ALA 174 CO 0.06 -0.11 0.06 -3.38 0.00 0.00 0.00 175.76 172.38 1itw s HIS 175 N 0.94 1.34 0.66 0.00 -3.43 -1.26 -1.37 115.29 112.18 1itw s HIS 175 Ca -0.01 -1.13 -0.14 0.00 -0.80 0.00 0.00 55.06 52.99 1itw s HIS 175 Cb -0.15 -0.77 -0.00 0.00 -1.43 0.00 0.00 32.58 30.24 1itw s HIS 175 CO 0.01 -0.31 1.09 -1.64 -2.00 0.00 0.00 174.74 171.88 1itw s MET 176 N -3.99 2.88 -0.02 -0.38 -1.94 0.36 -4.98 119.30 111.23 1itw s MET 176 Ca 0.31 1.25 0.20 0.00 -1.71 0.00 0.00 55.69 55.74 1itw s MET 176 Cb 0.07 -1.97 -0.28 0.00 2.01 0.00 0.00 34.83 34.66 1itw s MET 176 CO 0.09 -1.17 0.55 -0.25 -0.01 0.00 0.00 175.02 174.23 1itw n ASP 177 N -2.57 0.56 -3.67 3.03 8.00 -1.26 -4.70 116.55 115.95 1itw n ASP 177 Ca 0.09 -0.28 -0.02 0.00 0.71 0.00 0.00 54.79 55.30 1itw n ASP 177 Cb 0.53 1.65 -0.01 0.00 -0.02 0.00 0.00 41.12 43.26 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 -3.88 -0.13 -0.02 -2.24 4.22 -1.26 -4.99 114.94 106.64 1itw s ASN 178 Ca -0.03 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.45 1itw s ASN 178 Cb 0.13 0.32 0.00 0.00 1.28 0.00 0.00 41.25 42.98 1itw s ASN 178 CO 0.82 -0.58 0.00 0.61 -2.04 0.00 0.00 177.10 175.91 1itw n GLY 179 N -0.45 0.46 3.94 0.45 0.00 -1.26 -4.88 105.19 103.46 1itw n GLY 179 Ca -0.07 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 0.10 2.45 -0.20 1.61 5.75 -1.26 -0.53 116.55 124.47 1itw n ASP 180 Ca -0.00 -2.74 -0.06 0.00 -0.01 0.00 0.00 54.79 51.97 1itw n ASP 180 Cb 0.05 -0.25 0.03 0.00 -1.03 0.00 0.00 41.12 39.92 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 0.37 0.74 -0.24 2.11 0.05 -1.94 -2.90 116.94 115.13 1itw h PHE 181 Ca -0.31 0.01 0.05 0.00 3.82 0.00 0.00 57.97 61.54 1itw h PHE 181 Cb 1.29 -0.25 -0.05 0.00 2.00 0.00 0.00 35.95 38.94 1itw h PHE 181 CO 0.00 0.49 -0.11 -0.92 -0.18 0.00 0.00 178.31 177.59 1itw h TYR 182 N 0.78 -0.25 0.00 -0.55 3.20 -1.96 -2.13 116.97 116.07 1itw h TYR 182 Ca 0.21 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1itw h TYR 182 Cb -0.05 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1itw h TYR 182 CO -0.03 -0.16 0.00 0.41 -1.64 0.00 0.00 178.16 176.74 1itw n GLY 183 N -1.27 -1.18 0.06 1.82 0.00 -1.11 -3.30 105.19 100.22 1itw n GLY 183 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 1.94 -4.76 1.61 3.41 -0.97 -4.94 113.62 107.92 1itw n SER 184 Ca 0.02 -1.85 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 1itw n SER 184 Cb 0.21 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.86 4.23 0.00 4.33 2.12 -0.84 -4.48 118.70 123.21 1itw s GLU 185 Ca 0.02 2.38 0.00 0.00 0.36 0.00 0.00 54.97 57.74 1itw s GLU 185 Cb 0.01 -3.06 -0.00 0.00 0.26 0.00 0.00 34.13 31.34 1itw s GLU 185 CO 0.02 -0.43 -0.01 0.15 -0.54 0.00 0.00 175.26 174.44 1itw s LYS 186 N -0.99 0.12 0.16 4.30 1.02 -0.12 -4.46 119.74 119.77 1itw s LYS 186 Ca 0.57 -0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.50 1itw s LYS 186 Cb -0.43 -0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 36.75 1itw s LYS 186 CO 0.50 0.02 -0.05 0.00 -0.92 0.00 0.00 175.35 174.90 1itw s ALA 187 N -0.15 1.39 -0.04 5.17 0.00 -1.26 -0.66 121.76 126.22 1itw s ALA 187 Ca -0.01 -1.54 -0.06 0.00 0.00 0.00 0.00 51.96 50.36 1itw s ALA 187 Cb -0.01 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1itw s ALA 187 CO -0.00 -0.21 0.15 0.00 0.00 0.00 0.00 175.76 175.69 1itw s ALA 188 N -3.49 -0.35 -0.29 0.00 0.00 0.15 -4.99 121.76 112.78 1itw s ALA 188 Ca 0.20 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.30 1itw s ALA 188 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1itw s ALA 188 CO 0.02 -0.11 0.17 -1.17 0.00 0.00 0.00 175.76 174.66 1itw s LEU 189 N -0.38 4.02 0.04 0.00 2.96 -1.26 -1.83 118.68 122.23 1itw s LEU 189 Ca -0.05 -0.25 -0.31 0.00 -0.22 0.00 0.00 54.13 53.31 1itw s LEU 189 Cb -0.03 -2.06 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 1itw s LEU 189 CO 0.01 -0.12 1.34 -0.63 -1.32 0.00 0.00 176.35 175.63 1itw s ILE 190 N 1.69 3.70 -0.13 6.68 -1.09 -0.22 -4.95 121.20 126.87 1itw s ILE 190 Ca 0.06 1.16 -0.27 0.00 -2.23 0.00 0.00 60.65 59.37 1itw s ILE 190 Cb -0.16 -3.74 -0.24 0.00 -1.58 0.00 0.00 42.46 36.73 1itw s ILE 190 CO 0.08 0.05 0.75 1.23 -1.23 0.00 0.00 174.94 175.81 1itw h GLY 191 N 7.55 -0.00 -2.83 6.18 0.00 -1.90 0.14 103.07 112.20 1itw h GLY 191 Ca -0.40 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.60 1itw h GLY 191 CO 0.87 -0.00 -0.72 0.00 0.00 0.00 0.00 176.54 176.69 1itw s ALA 192 N -2.36 1.46 0.61 3.60 0.00 -1.26 -4.29 121.76 119.53 1itw s ALA 192 Ca -0.18 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.11 1itw s ALA 192 Cb -0.03 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1itw s ALA 192 CO 0.64 -0.09 1.04 -2.30 0.00 0.00 0.00 175.76 175.06 1itw n PRO 193 N -0.17 0.96 0.00 0.00 -0.02 -1.26 -4.43 135.00 130.07 1itw n PRO 193 Ca -0.10 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1itw n PRO 193 Cb 0.60 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1itw n PRO 193 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1itw n GLY 194 N 1.20 -0.64 3.47 -1.23 0.00 -0.78 -4.96 105.19 102.25 1itw n GLY 194 Ca 0.14 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.51 0.19 1.61 1.04 -1.26 -1.58 113.70 109.19 1itw s SER 195 Ca 0.00 -0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.48 1itw s SER 195 Cb 0.00 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1itw s SER 195 CO 0.00 -0.94 -0.19 0.68 0.98 0.00 0.00 173.24 173.76 1itw s VAL 196 N -3.66 2.00 -0.05 5.02 -7.23 -0.48 -2.08 120.40 113.93 1itw s VAL 196 Ca 0.02 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1itw s VAL 196 Cb -0.01 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1itw s VAL 196 CO -0.11 -0.30 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.47 1itw s LYS 197 N -2.89 2.50 -0.23 4.82 2.20 0.14 -2.01 119.74 124.27 1itw s LYS 197 Ca 0.19 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1itw s LYS 197 Cb -0.06 -2.33 0.03 0.00 -1.51 0.00 0.00 37.83 33.96 1itw s LYS 197 CO 0.08 0.57 -0.09 0.42 -0.36 0.00 0.00 175.35 175.97 1itw s ILE 198 N -0.61 2.69 0.03 5.43 1.01 -0.53 -1.57 121.20 127.64 1itw s ILE 198 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1itw s ILE 198 Cb -0.11 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 1itw s ILE 198 CO 0.01 0.26 -0.04 -1.83 0.00 0.00 0.00 174.94 173.34 1itw s GLU 199 N 1.31 0.40 -0.22 2.79 -1.05 -0.82 -0.24 118.70 120.86 1itw s GLU 199 Ca 0.01 -0.74 -0.09 0.00 -0.15 0.00 0.00 54.97 54.00 1itw s GLU 199 Cb -0.16 0.07 -0.04 0.00 -0.44 0.00 0.00 34.13 33.56 1itw s GLU 199 CO -0.06 -0.05 0.10 -1.17 0.95 0.00 0.00 175.26 175.03 1itw s LEU 200 N -1.74 3.82 -0.47 1.83 2.96 0.14 -1.21 118.68 124.01 1itw s LEU 200 Ca -0.11 0.01 -0.14 0.00 -0.22 0.00 0.00 54.13 53.67 1itw s LEU 200 Cb -0.07 -2.01 0.08 0.00 0.50 0.00 0.00 46.19 44.70 1itw s LEU 200 CO -0.02 0.07 0.37 -0.63 -1.32 0.00 0.00 176.35 174.82 1itw s ILE 201 N 0.99 4.93 0.75 6.68 -1.09 -0.17 -0.54 121.20 132.75 1itw s ILE 201 Ca 0.05 -1.22 -0.11 0.00 -2.23 0.00 0.00 60.65 57.14 1itw s ILE 201 Cb -0.14 -4.00 0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1itw s ILE 201 CO 0.03 -0.60 1.09 0.00 -1.23 0.00 0.00 174.94 174.23 1itw s ALA 202 N 1.57 2.53 0.22 9.38 0.00 -0.03 -1.76 121.76 133.67 1itw s ALA 202 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1itw s ALA 202 Cb -0.25 -3.10 0.17 0.00 0.00 0.00 0.00 23.12 19.95 1itw s ALA 202 CO 0.05 -1.43 1.83 0.87 0.00 0.00 0.00 175.76 177.07 1itw h LYS 203 N -0.87 1.15 0.00 0.00 6.56 -1.69 -1.42 116.57 120.29 1itw h LYS 203 Ca -0.46 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 58.99 1itw h LYS 203 Cb 1.25 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1itw h LYS 203 CO 0.60 0.86 0.00 -0.40 -2.06 0.00 0.00 179.45 178.45 1itw n ASP 204 N -4.38 0.00 0.00 0.86 5.75 -1.26 -4.80 116.55 112.72 1itw n ASP 204 Ca 0.08 -0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1itw n ASP 204 Cb 0.11 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1itw n ASP 204 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1itw n GLY 205 N -0.58 2.82 3.63 6.12 0.00 -0.54 -5.04 105.19 111.61 1itw n GLY 205 Ca 0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1itw n GLY 205 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1itw s SER 206 N 0.64 2.48 -0.02 1.61 1.04 -1.26 -4.64 113.70 113.55 1itw s SER 206 Ca 0.00 2.09 0.05 0.00 0.48 0.00 0.00 55.95 58.56 1itw s SER 206 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 1itw s SER 206 CO 0.00 -3.36 -0.16 -0.55 0.98 0.00 0.00 173.24 170.15 1itw s SER 207 N -2.61 1.95 -0.12 7.02 0.15 -1.26 -0.85 113.70 117.98 1itw s SER 207 Ca 0.67 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 57.01 1itw s SER 207 Cb -0.23 -0.36 0.03 0.00 -1.71 0.00 0.00 66.02 63.74 1itw s SER 207 CO 0.59 0.17 -0.08 -0.89 1.20 0.00 0.00 173.24 174.23 1itw s THR 208 N -0.19 1.12 -0.28 6.45 2.01 0.30 -4.95 115.64 120.10 1itw s THR 208 Ca 0.02 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 1itw s THR 208 Cb -0.08 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.30 1itw s THR 208 CO 0.00 0.36 1.19 -0.69 -0.69 0.00 0.00 174.62 174.79 1itw s VAL 209 N 1.67 4.35 0.05 3.82 1.01 -1.26 0.26 120.40 130.30 1itw s VAL 209 Ca 0.05 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.52 1itw s VAL 209 Cb -0.13 -4.25 -0.30 0.00 0.00 0.00 0.00 36.38 31.71 1itw s VAL 209 CO -0.09 -0.40 1.03 -0.07 0.00 0.00 0.00 175.10 175.58 1itw h LEU 210 N 10.27 0.51 -6.14 3.92 3.38 -0.96 -3.44 115.31 122.84 1itw h LEU 210 Ca -0.23 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.14 1itw h LEU 210 Cb 1.08 -0.16 -0.24 0.00 0.09 0.00 0.00 40.66 41.43 1itw h LEU 210 CO 1.02 1.46 -0.38 -0.75 0.09 0.00 0.00 178.44 179.88 1itw s LYS 211 N -2.63 0.50 0.23 1.13 2.20 -0.94 -5.03 119.74 115.20 1itw s LYS 211 Ca -0.06 0.66 -0.07 0.00 -0.36 0.00 0.00 55.97 56.14 1itw s LYS 211 Cb 0.06 0.14 0.26 0.00 -1.51 0.00 0.00 37.83 36.78 1itw s LYS 211 CO 0.89 -0.79 1.88 0.00 -0.36 0.00 0.00 175.35 176.97 1itw h ALA 212 N 8.06 1.15 -3.30 3.13 0.00 -1.86 -1.41 119.26 125.03 1itw h ALA 212 Ca -0.15 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1itw h ALA 212 Cb 1.16 -0.30 -0.31 0.00 0.00 0.00 0.00 17.79 18.34 1itw h ALA 212 CO 0.24 0.41 -0.60 0.21 0.00 0.00 0.00 179.25 179.51 1itw s LYS 213 N -6.10 0.10 -0.18 0.00 2.20 -1.26 -4.16 119.74 110.33 1itw s LYS 213 Ca -0.13 0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.77 1itw s LYS 213 Cb 0.17 -0.14 0.06 0.00 -1.51 0.00 0.00 37.83 36.41 1itw s LYS 213 CO 0.80 -0.14 0.07 0.99 -0.36 0.00 0.00 175.35 176.70 1itw s THR 214 N 0.98 0.20 0.36 3.43 2.01 -0.85 -4.96 115.64 116.81 1itw s THR 214 Ca -0.08 -0.37 -0.28 0.00 0.31 0.00 0.00 61.69 61.28 1itw s THR 214 Cb -0.10 -0.80 -0.10 0.00 0.01 0.00 0.00 72.50 71.51 1itw s THR 214 CO -0.05 -0.26 1.34 -0.44 -0.69 0.00 0.00 174.62 174.52 1itw s SER 215 N 2.00 6.57 0.04 3.53 0.01 -1.26 -1.39 113.70 123.20 1itw s SER 215 Ca 0.01 2.75 0.04 0.00 1.31 0.00 0.00 55.95 60.06 1itw s SER 215 Cb -0.17 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.39 1itw s SER 215 CO -0.09 -0.68 -0.12 0.68 0.41 0.00 0.00 173.24 173.44 1itw s VAL 216 N -1.17 0.93 0.31 3.43 -7.23 -0.61 -4.91 120.40 111.15 1itw s VAL 216 Ca 0.52 -0.94 0.06 0.00 -1.81 0.00 0.00 61.98 59.81 1itw s VAL 216 Cb -0.41 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 1itw s VAL 216 CO 0.54 -0.06 0.40 -1.10 -0.31 0.00 0.00 175.10 174.57 1itw s GLN 217 N -1.13 3.13 0.27 4.82 -0.21 -1.26 -1.87 119.66 123.41 1itw s GLN 217 Ca -0.01 -0.99 -0.30 0.00 0.02 0.00 0.00 55.36 54.08 1itw s GLN 217 Cb -0.08 -2.78 -0.10 0.00 1.00 0.00 0.00 33.01 31.06 1itw s GLN 217 CO 0.01 0.17 1.43 0.00 -2.12 0.00 0.00 175.29 174.79 1itw s ALA 218 N -2.14 3.61 0.00 6.09 0.00 -1.26 -2.04 121.76 126.02 1itw s ALA 218 Ca 0.41 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1itw s ALA 218 Cb -0.09 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1itw s ALA 218 CO 0.30 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1itw n GLY 219 N 1.89 0.93 3.79 0.00 0.00 0.48 -4.77 105.19 107.50 1itw n GLY 219 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.04 4.19 -0.19 1.61 2.12 -0.86 -4.19 118.70 121.34 1itw s GLU 220 Ca 0.00 1.37 -0.06 0.00 0.36 0.00 0.00 54.97 56.63 1itw s GLU 220 Cb 0.00 -2.43 -0.03 0.00 0.26 0.00 0.00 34.13 31.92 1itw s GLU 220 CO 0.00 -0.09 0.04 0.42 -0.54 0.00 0.00 175.26 175.09 1itw s ILE 221 N -1.82 4.44 0.04 -3.70 1.01 -0.19 -1.06 121.20 119.91 1itw s ILE 221 Ca 0.59 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 61.15 1itw s ILE 221 Cb -0.18 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 1itw s ILE 221 CO 0.22 0.44 -0.20 0.27 0.00 0.00 0.00 174.94 175.68 1itw s ILE 222 N 0.66 1.58 -0.02 2.92 -4.36 -0.76 -1.23 121.20 119.99 1itw s ILE 222 Ca 0.02 -1.13 -0.10 0.00 -0.26 0.00 0.00 60.65 59.18 1itw s ILE 222 Cb -0.14 -1.37 0.01 0.00 1.25 0.00 0.00 42.46 42.21 1itw s ILE 222 CO 0.02 0.21 0.21 1.51 0.24 0.00 0.00 174.94 177.13 1itw s ASP 223 N -1.08 -0.10 0.18 4.36 1.47 -0.68 -0.68 116.67 120.14 1itw s ASP 223 Ca 0.07 0.03 0.10 0.00 1.18 0.00 0.00 52.55 53.93 1itw s ASP 223 Cb -0.08 0.30 -0.04 0.00 -0.34 0.00 0.00 42.92 42.75 1itw s ASP 223 CO 0.01 -0.33 -0.22 -0.94 0.68 0.00 0.00 175.17 174.38 1itw s SER 224 N -1.03 3.11 0.18 2.11 1.04 0.16 -0.33 113.70 118.95 1itw s SER 224 Ca -0.11 -0.86 -0.23 0.00 0.48 0.00 0.00 55.95 55.23 1itw s SER 224 Cb -0.06 -0.21 0.06 0.00 0.10 0.00 0.00 66.02 65.91 1itw s SER 224 CO 0.02 0.06 0.62 -0.94 0.98 0.00 0.00 173.24 173.98 1itw s SER 225 N -2.64 -0.51 -0.03 7.02 1.04 -0.80 -0.95 113.70 116.84 1itw s SER 225 Ca 0.18 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.47 1itw s SER 225 Cb -0.07 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.69 1itw s SER 225 CO 0.08 -1.05 0.08 0.54 0.98 0.00 0.00 173.24 173.88 1itw s VAL 226 N -3.78 -0.01 -0.39 5.02 0.11 -1.26 -1.51 120.40 118.58 1itw s VAL 226 Ca 0.03 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.95 1itw s VAL 226 Cb -0.02 -0.12 0.01 0.00 -1.53 0.00 0.00 36.38 34.72 1itw s VAL 226 CO -0.09 0.02 0.43 -0.32 -3.33 0.00 0.00 175.10 171.80 1itw s MET 227 N 0.25 3.30 0.02 1.54 1.75 0.42 -3.47 119.30 123.12 1itw s MET 227 Ca -0.02 -0.58 -0.30 0.00 -1.25 0.00 0.00 55.69 53.54 1itw s MET 227 Cb -0.03 -3.90 -0.06 0.00 2.84 0.00 0.00 34.83 33.69 1itw s MET 227 CO -0.01 -0.73 1.33 0.45 -0.65 0.00 0.00 175.02 175.41 1itw s SER 228 N 1.79 6.92 0.15 1.11 0.15 0.31 -1.64 113.70 122.48 1itw s SER 228 Ca 0.13 2.09 -0.13 0.00 0.70 0.00 0.00 55.95 58.73 1itw s SER 228 Cb -0.17 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1itw s SER 228 CO 0.13 -0.64 1.69 0.50 1.20 0.00 0.00 173.24 176.12 1itw h LYS 229 N 7.38 0.78 -0.45 5.44 3.64 -1.88 -0.83 116.57 130.64 1itw h LYS 229 Ca -0.39 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 1itw h LYS 229 Cb 1.19 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1itw h LYS 229 CO 0.87 0.72 0.19 -0.91 -2.27 0.00 0.00 179.45 178.05 1itw h ASN 230 N 0.68 0.61 -0.28 4.20 2.35 -1.92 -1.23 115.58 120.00 1itw h ASN 230 Ca 0.16 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1itw h ASN 230 Cb 0.25 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1itw h ASN 230 CO -0.01 0.60 0.13 0.00 -1.65 0.00 0.00 177.43 176.50 1itw h ALA 231 N 1.03 0.36 -0.36 -0.83 0.00 -1.85 -1.39 119.26 116.23 1itw h ALA 231 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1itw h ALA 231 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1itw h ALA 231 CO -0.01 -0.07 0.24 1.25 0.00 0.00 0.00 179.25 180.65 1itw h LEU 232 N 0.32 0.42 -0.63 0.00 5.85 -1.05 0.48 115.31 120.69 1itw h LEU 232 Ca 0.10 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1itw h LEU 232 Cb 0.13 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1itw h LEU 232 CO -0.01 0.31 0.35 -0.09 -0.34 0.00 0.00 178.44 178.66 1itw h ARG 233 N 0.49 0.88 -0.20 1.25 2.43 -1.08 0.11 114.38 118.26 1itw h ARG 233 Ca 0.13 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1itw h ARG 233 Cb -0.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1itw h ARG 233 CO -0.03 0.66 -0.31 -0.91 -1.51 0.00 0.00 179.97 177.87 1itw h ASN 234 N 0.86 0.42 0.10 -3.80 2.35 -0.99 -0.62 115.58 113.90 1itw h ASN 234 Ca 0.22 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1itw h ASN 234 Cb 0.04 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1itw h ASN 234 CO -0.04 0.72 -0.05 0.15 -1.65 0.00 0.00 177.43 176.56 1itw h PHE 235 N 0.36 -0.12 -0.77 1.19 3.04 -0.43 -2.25 116.94 117.95 1itw h PHE 235 Ca 0.05 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.02 1itw h PHE 235 Cb 0.73 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.23 1itw h PHE 235 CO 0.02 0.19 0.49 0.82 -2.02 0.00 0.00 178.31 177.81 1itw h ILE 236 N -0.44 1.13 -0.35 1.41 2.04 -0.65 -0.70 117.51 119.96 1itw h ILE 236 Ca -0.01 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1itw h ILE 236 Cb 0.37 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1itw h ILE 236 CO 0.02 0.18 0.19 0.00 0.00 0.00 0.00 178.15 178.54 1itw h ALA 237 N 1.32 0.43 -0.49 1.87 0.00 -1.08 -0.46 119.26 120.85 1itw h ALA 237 Ca 0.30 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1itw h ALA 237 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1itw h ALA 237 CO -0.10 -0.17 0.14 0.00 0.00 0.00 0.00 179.25 179.12 1itw h ALA 238 N 1.16 0.64 -0.19 0.00 0.00 -0.87 -2.32 119.26 117.67 1itw h ALA 238 Ca 0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1itw h ALA 238 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1itw h ALA 238 CO -0.07 0.32 -0.32 0.93 0.00 0.00 0.00 179.25 180.10 1itw h GLU 239 N 0.66 0.39 -0.33 0.00 4.39 -0.94 -0.13 114.58 118.62 1itw h GLU 239 Ca 0.16 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1itw h GLU 239 Cb 0.30 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1itw h GLU 239 CO -0.00 0.67 0.12 0.82 -1.16 0.00 0.00 179.01 179.46 1itw h ILE 240 N 0.34 1.19 -0.43 3.13 2.04 -0.93 0.02 117.51 122.88 1itw h ILE 240 Ca 0.04 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1itw h ILE 240 Cb 0.73 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1itw h ILE 240 CO 0.06 0.21 0.22 -0.33 0.00 0.00 0.00 178.15 178.31 1itw h GLU 241 N 0.39 0.60 -0.45 2.37 5.08 -1.01 -2.57 114.58 119.00 1itw h GLU 241 Ca 0.11 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1itw h GLU 241 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1itw h GLU 241 CO -0.01 0.50 -0.08 0.22 -1.00 0.00 0.00 179.01 178.64 1itw h ASP 242 N 0.55 0.76 -0.56 1.42 1.82 -0.86 -1.49 116.42 118.07 1itw h ASP 242 Ca 0.15 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1itw h ASP 242 Cb 0.08 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 39.86 1itw h ASP 242 CO -0.02 0.88 0.32 0.00 -1.61 0.00 0.00 179.24 178.80 1itw h ALA 243 N 1.20 0.71 -0.33 -0.78 0.00 -0.81 -0.36 119.26 118.89 1itw h ALA 243 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1itw h ALA 243 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1itw h ALA 243 CO 0.03 0.22 0.10 -0.22 0.00 0.00 0.00 179.25 179.38 1itw h LYS 244 N 0.75 0.52 -0.24 0.00 3.64 -1.22 0.07 116.57 120.09 1itw h LYS 244 Ca 0.20 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1itw h LYS 244 Cb 0.02 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1itw h LYS 244 CO -0.03 0.56 0.08 -0.22 -2.27 0.00 0.00 179.45 177.56 1itw h LYS 245 N 0.39 0.19 0.00 1.90 3.64 -0.95 -2.45 116.57 119.28 1itw h LYS 245 Ca 0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1itw h LYS 245 Cb 0.26 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1itw h LYS 245 CO -0.00 0.12 0.00 1.04 -2.27 0.00 0.00 179.45 178.34 1itw n GLN 246 N -5.04 0.20 -2.84 1.90 6.02 -0.17 -4.94 117.38 112.51 1itw n GLN 246 Ca -0.02 0.22 -0.08 0.00 -0.01 0.00 0.00 57.00 57.11 1itw n GLN 246 Cb 0.09 -1.76 0.03 0.00 1.02 0.00 0.00 30.24 29.62 1itw n GLN 246 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1itw n GLY 247 N 1.08 0.46 3.55 1.08 0.00 -0.09 -5.06 105.19 106.21 1itw n GLY 247 Ca 0.05 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.10 2.73 0.20 1.61 -7.23 -0.60 -4.92 120.40 109.08 1itw s VAL 248 Ca 0.18 -2.18 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1itw s VAL 248 Cb -0.08 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 34.21 1itw s VAL 248 CO 0.24 -0.34 1.11 -0.76 -0.31 0.00 0.00 175.10 175.04 1itw s LEU 249 N -3.60 4.50 -0.20 1.32 1.43 -0.76 -4.44 118.68 116.93 1itw s LEU 249 Ca 0.32 2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 55.37 1itw s LEU 249 Cb -0.04 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1itw s LEU 249 CO 0.17 -0.22 0.50 -0.22 0.23 0.00 0.00 176.35 176.82 1itw s LEU 250 N -0.57 4.15 0.18 1.79 2.96 0.41 -0.41 118.68 127.19 1itw s LEU 250 Ca 0.49 0.66 0.07 0.00 -0.22 0.00 0.00 54.13 55.13 1itw s LEU 250 Cb -0.30 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1itw s LEU 250 CO 0.36 -0.16 -0.15 -0.94 -1.32 0.00 0.00 176.35 174.14 1itw s SER 251 N 1.13 2.45 -0.08 3.68 1.04 -0.69 -1.39 113.70 119.84 1itw s SER 251 Ca 0.24 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.71 1itw s SER 251 Cb -0.15 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1itw s SER 251 CO 0.09 -0.15 -0.08 -0.69 0.98 0.00 0.00 173.24 173.39 1itw s VAL 252 N -2.71 0.93 -0.39 5.02 1.01 -1.26 -0.53 120.40 122.46 1itw s VAL 252 Ca 0.19 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1itw s VAL 252 Cb -0.02 -0.91 0.11 0.00 0.00 0.00 0.00 36.38 35.56 1itw s VAL 252 CO 0.06 0.33 0.12 -1.00 0.00 0.00 0.00 175.10 174.60 1itw s HIS 253 N 1.12 3.45 0.51 5.22 3.76 -0.40 -4.89 115.29 124.06 1itw s HIS 253 Ca -0.07 -2.98 0.01 0.00 -0.15 0.00 0.00 55.06 51.87 1itw s HIS 253 Cb -0.14 -2.81 -0.00 0.00 1.11 0.00 0.00 32.58 30.73 1itw s HIS 253 CO -0.01 -0.88 0.03 1.28 -0.85 0.00 0.00 174.74 174.31 1itw n LEU 254 N 3.92 0.00 -2.97 0.89 4.77 -1.26 -4.65 117.00 117.71 1itw n LEU 254 Ca 0.04 -3.31 -0.25 0.00 -0.03 0.00 0.00 56.01 52.47 1itw n LEU 254 Cb 0.39 0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.95 1itw n LEU 254 CO 0.25 -0.48 0.06 1.17 -1.33 0.00 0.00 177.39 177.07 1itw n LYS 255 N -1.25 2.73 -0.30 3.23 3.00 -1.26 -0.96 118.16 123.34 1itw n LYS 255 Ca -0.19 -4.50 0.02 0.00 -0.00 0.00 0.00 58.31 53.64 1itw n LYS 255 Cb 0.66 -2.11 0.16 0.00 0.00 0.00 0.00 35.03 33.75 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 2.97 1.19 -0.13 3.14 0.00 -1.83 -0.46 119.26 124.14 1itw h ALA 256 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1itw h ALA 256 Cb 0.63 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1itw h ALA 256 CO 0.75 0.16 0.02 1.15 0.00 0.00 0.00 179.25 181.33 1itw h THR 257 N 0.86 1.21 0.05 0.00 2.02 -1.91 -3.22 112.91 111.92 1itw h THR 257 Ca 0.39 -0.68 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 1itw h THR 257 Cb 0.30 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1itw h THR 257 CO -0.22 0.20 -0.42 -0.03 0.37 0.00 0.00 175.52 175.41 1itw h MET 258 N -0.01 0.19 -3.14 6.66 -1.53 -1.98 -3.32 114.93 111.80 1itw h MET 258 Ca 0.04 -0.28 -0.72 0.00 -3.44 0.00 0.00 59.70 55.30 1itw h MET 258 Cb 0.29 0.10 -0.08 0.00 -0.55 0.00 0.00 31.60 31.36 1itw h MET 258 CO 0.00 1.08 2.84 -1.33 0.14 0.00 0.00 176.91 179.64 1itw n MET 259 N -4.37 3.86 0.27 0.39 2.81 -0.19 -4.76 117.12 115.14 1itw n MET 259 Ca -0.11 -3.00 0.15 0.00 -1.81 0.00 0.00 57.70 52.92 1itw n MET 259 Cb 0.63 -2.85 0.79 0.00 -0.71 0.00 0.00 33.22 31.08 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 5.19 0.00 0.00 0.03 2.10 -1.65 -2.65 116.57 119.59 1itw h LYS 260 Ca 0.66 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.24 1itw h LYS 260 Cb 0.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1itw h LYS 260 CO 1.66 0.00 -1.15 0.28 -2.00 0.00 0.00 179.45 178.24 1itw n VAL 261 N -2.64 1.46 -0.02 0.07 0.31 -1.26 -4.61 118.33 111.64 1itw n VAL 261 Ca -0.02 0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 1itw n VAL 261 Cb 0.21 -2.20 -0.08 0.00 -0.91 0.00 0.00 33.84 30.86 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 -0.90 0.12 -0.32 4.52 4.64 -1.94 -3.25 113.55 116.41 1itw h SER 262 Ca -0.11 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 60.80 1itw h SER 262 Cb 1.01 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1itw h SER 262 CO -0.06 0.40 -0.14 0.44 -0.87 0.00 0.00 176.83 176.60 1itw h ASP 263 N -0.17 0.75 0.13 4.97 5.19 -1.78 -1.51 116.42 124.00 1itw h ASP 263 Ca 0.02 -0.23 -0.08 0.00 -0.62 0.00 0.00 57.03 56.12 1itw h ASP 263 Cb 0.34 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1itw h ASP 263 CO 0.00 0.91 -0.27 -0.65 -3.12 0.00 0.00 179.24 176.11 1itw h PRO 264 N 0.68 0.23 -0.18 3.56 0.11 -1.72 0.14 132.00 134.82 1itw h PRO 264 Ca 0.11 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 1itw h PRO 264 Cb 0.62 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1itw h PRO 264 CO 0.04 0.49 -0.03 0.82 -0.21 0.00 0.00 178.00 179.11 1itw h ILE 265 N 0.21 1.28 -0.61 4.15 2.04 -1.50 0.05 117.51 123.12 1itw h ILE 265 Ca 0.03 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 1itw h ILE 265 Cb 0.59 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1itw h ILE 265 CO 0.04 0.29 0.24 0.24 0.00 0.00 0.00 178.15 178.96 1itw h MET 266 N 0.07 0.92 -0.53 2.37 2.86 -1.06 -1.51 114.93 118.05 1itw h MET 266 Ca 0.05 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1itw h MET 266 Cb 0.45 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1itw h MET 266 CO 0.02 0.79 0.30 0.35 1.06 0.00 0.00 176.91 179.42 1itw h PHE 267 N 0.86 0.55 -0.42 -0.22 3.57 -0.59 -1.97 116.94 118.72 1itw h PHE 267 Ca 0.20 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1itw h PHE 267 Cb 0.22 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1itw h PHE 267 CO 0.01 0.29 0.16 0.78 -2.23 0.00 0.00 178.31 177.32 1itw h GLY 268 N 0.58 0.64 1.75 2.40 0.00 -0.53 -0.43 103.07 107.48 1itw h GLY 268 Ca 0.23 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 1itw h GLY 268 CO -0.13 0.30 -0.45 1.46 0.00 0.00 0.00 176.54 177.71 1itw h GLN 269 N 0.60 0.27 -0.19 4.80 4.20 -0.66 0.19 115.11 124.33 1itw h GLN 269 Ca 0.15 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1itw h GLN 269 Cb 0.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1itw h GLN 269 CO -0.01 0.68 -0.23 0.82 -0.67 0.00 0.00 178.83 179.42 1itw h ILE 270 N 0.22 1.34 -0.41 2.54 2.04 -0.66 -2.24 117.51 120.34 1itw h ILE 270 Ca 0.02 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.47 1itw h ILE 270 Cb 0.89 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1itw h ILE 270 CO 0.07 0.43 0.27 0.58 0.00 0.00 0.00 178.15 179.50 1itw h VAL 271 N 0.14 1.11 -0.60 1.67 2.07 -0.89 -0.97 116.25 118.78 1itw h VAL 271 Ca 0.03 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1itw h VAL 271 Cb 0.78 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1itw h VAL 271 CO 0.05 0.11 0.33 0.28 0.02 0.00 0.00 177.57 178.36 1itw h SER 272 N 0.55 0.48 -0.16 0.57 0.02 -0.55 -1.92 113.55 112.55 1itw h SER 272 Ca 0.15 0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 60.91 1itw h SER 272 Cb -0.06 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.43 1itw h SER 272 CO -0.03 0.32 -0.76 -0.08 -1.14 0.00 0.00 176.83 175.14 1itw h GLU 273 N 0.62 0.79 0.11 3.45 4.57 -1.20 -1.29 114.58 121.63 1itw h GLU 273 Ca 0.26 -0.64 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1itw h GLU 273 Cb 0.15 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1itw h GLU 273 CO -0.17 1.25 -0.06 0.35 -1.18 0.00 0.00 179.01 179.21 1itw h PHE 274 N 0.53 -0.15 -0.58 0.92 3.57 -0.99 -3.08 116.94 117.17 1itw h PHE 274 Ca -0.05 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1itw h PHE 274 Cb 1.40 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1itw h PHE 274 CO 0.09 -0.10 0.00 0.66 -2.23 0.00 0.00 178.31 176.73 1itw n TYR 275 N -5.16 1.76 -0.34 0.41 4.02 -0.74 -4.72 117.16 112.40 1itw n TYR 275 Ca -0.08 -0.64 0.20 0.00 -0.01 0.00 0.00 57.90 57.37 1itw n TYR 275 Cb 0.09 -0.39 0.42 0.00 -0.02 0.00 0.00 39.34 39.44 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 3.84 0.41 -0.69 -0.72 2.10 -1.13 -0.87 116.57 119.51 1itw h LYS 276 Ca 0.00 -0.02 0.05 0.00 -2.00 0.00 0.00 60.65 58.68 1itw h LYS 276 Cb 1.71 -0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 32.89 1itw h LYS 276 CO 0.37 0.27 0.40 -0.44 -2.00 0.00 0.00 179.45 178.05 1itw h ASP 277 N 0.42 0.60 0.18 7.07 3.32 -1.86 0.31 116.42 126.47 1itw h ASP 277 Ca 0.68 0.02 -0.27 0.00 0.02 0.00 0.00 57.03 57.48 1itw h ASP 277 Cb 1.45 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 40.93 1itw h ASP 277 CO -0.55 0.39 -1.18 0.00 -1.72 0.00 0.00 179.24 176.18 1itw h ALA 278 N 1.35 -0.10 -0.53 3.45 0.00 -1.51 -2.98 119.26 118.94 1itw h ALA 278 Ca 0.30 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1itw h ALA 278 Cb 0.16 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1itw h ALA 278 CO -0.17 0.57 -0.03 -0.07 0.00 0.00 0.00 179.25 179.55 1itw h LEU 279 N -0.01 0.89 0.06 0.00 3.38 -1.08 -1.76 115.31 116.80 1itw h LEU 279 Ca -0.20 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1itw h LEU 279 Cb 1.91 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1itw h LEU 279 CO 0.22 0.97 -0.03 0.74 0.09 0.00 0.00 178.44 180.43 1itw h THR 280 N 0.84 1.17 -0.54 0.22 2.02 -1.05 -1.21 112.91 114.35 1itw h THR 280 Ca 0.15 -0.81 0.10 0.00 0.77 0.00 0.00 66.41 66.62 1itw h THR 280 Cb 0.53 1.70 -0.08 0.00 -1.74 0.00 0.00 68.15 68.57 1itw h THR 280 CO 0.03 0.20 0.10 0.50 0.37 0.00 0.00 175.52 176.72 1itw h LYS 281 N -0.45 0.22 -0.90 6.66 3.64 -1.45 -2.12 116.57 122.18 1itw h LYS 281 Ca -0.01 -0.01 -0.37 0.00 -1.27 0.00 0.00 60.65 58.99 1itw h LYS 281 Cb 0.39 -0.05 -0.22 0.00 -0.41 0.00 0.00 32.23 31.94 1itw h LYS 281 CO 0.01 0.15 0.47 0.72 -2.27 0.00 0.00 179.45 178.53 1itw n HIS 282 N -5.13 2.69 0.00 1.91 8.25 -0.67 -4.71 115.22 117.56 1itw n HIS 282 Ca 0.07 -1.50 -0.10 0.00 -0.26 0.00 0.00 57.72 55.92 1itw n HIS 282 Cb 0.28 -0.81 -0.04 0.00 1.12 0.00 0.00 29.99 30.54 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 1.79 -0.33 0.05 -1.41 0.00 -0.50 -1.46 119.26 117.41 1itw h ALA 283 Ca 0.45 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.41 1itw h ALA 283 Cb 2.57 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 20.89 1itw h ALA 283 CO 0.91 -0.77 -0.18 0.93 0.00 0.00 0.00 179.25 180.14 1itw h GLU 284 N -0.37 -0.31 -0.19 0.00 5.08 -1.85 -1.03 114.58 115.91 1itw h GLU 284 Ca 0.10 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1itw h GLU 284 Cb 0.52 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1itw h GLU 284 CO -0.34 -0.20 -0.21 -0.24 -1.00 0.00 0.00 179.01 177.02 1itw h VAL 285 N -0.32 1.23 -0.26 3.13 3.04 -1.92 -0.06 116.25 121.09 1itw h VAL 285 Ca 0.04 -1.08 -0.10 0.00 -1.01 0.00 0.00 66.70 64.55 1itw h VAL 285 Cb 0.36 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1itw h VAL 285 CO -0.13 0.34 -0.25 -0.07 -1.01 0.00 0.00 177.57 176.45 1itw h LEU 286 N 0.31 0.51 -0.32 3.16 3.38 -1.01 -0.94 115.31 120.39 1itw h LEU 286 Ca 0.05 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 1itw h LEU 286 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1itw h LEU 286 CO 0.04 0.75 -0.56 0.50 0.09 0.00 0.00 178.44 179.26 1itw h LYS 287 N 0.45 0.83 -0.69 1.13 3.64 -0.62 -0.60 116.57 120.70 1itw h LYS 287 Ca 0.07 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1itw h LYS 287 Cb 0.67 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1itw h LYS 287 CO 0.05 1.17 0.40 1.96 -2.27 0.00 0.00 179.45 180.76 1itw h GLN 288 N 0.63 0.94 -0.09 1.90 4.20 -0.50 -1.72 115.11 120.48 1itw h GLN 288 Ca 0.01 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1itw h GLN 288 Cb 1.16 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1itw h GLN 288 CO 0.12 0.68 0.00 0.44 -0.67 0.00 0.00 178.83 179.40 1itw n ILE 289 N -4.38 0.11 -2.18 2.54 -5.35 -0.41 -4.94 119.36 104.75 1itw n ILE 289 Ca 0.07 -0.28 -0.07 0.00 -0.27 0.00 0.00 62.75 62.20 1itw n ILE 289 Cb 0.08 0.35 -0.00 0.00 -1.74 0.00 0.00 39.64 38.33 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 1.13 0.12 3.68 3.28 0.00 -0.65 -4.96 105.19 107.79 1itw n GLY 290 Ca 0.17 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 1itw n GLY 290 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1itw n PHE 291 N -3.95 2.26 -3.94 1.61 -0.00 -0.27 -4.96 117.46 108.21 1itw n PHE 291 Ca -0.07 0.40 -0.32 0.00 -0.00 0.00 0.00 57.45 57.47 1itw n PHE 291 Cb 0.56 -2.48 -0.14 0.00 -0.00 0.00 0.00 39.48 37.42 1itw n PHE 291 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1itw s ASP 292 N 0.33 4.68 0.56 -2.13 2.15 -1.26 -4.90 116.67 116.11 1itw s ASP 292 Ca 0.68 -2.56 0.28 0.00 0.43 0.00 0.00 52.55 51.37 1itw s ASP 292 Cb -0.63 -1.68 1.48 0.00 -0.30 0.00 0.00 42.92 41.80 1itw s ASP 292 CO 0.49 -0.33 1.98 1.62 -0.17 0.00 0.00 175.17 178.76 1itw h VAL 293 N 6.00 0.54 0.00 1.11 3.04 -1.93 0.26 116.25 125.28 1itw h VAL 293 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1itw h VAL 293 Cb 0.96 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1itw h VAL 293 CO 0.63 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.78 1itw n ASN 294 N -4.03 0.00 -1.40 3.17 3.02 -1.26 -1.84 115.26 112.92 1itw n ASN 294 Ca 0.08 0.44 0.09 0.00 -0.03 0.00 0.00 54.58 55.16 1itw n ASN 294 Cb 0.59 -0.47 0.32 0.00 -0.61 0.00 0.00 39.78 39.61 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 -1.47 4.41 0.00 6.41 5.15 0.91 -4.65 115.26 126.02 1itw n ASN 295 Ca 0.04 -2.39 0.00 0.00 -0.60 0.00 0.00 54.58 51.63 1itw n ASN 295 Cb 0.17 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 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 0.98 -1.29 0.29 8.20 0.00 -0.77 -4.07 105.19 108.54 1itw n GLY 296 Ca 0.24 -1.60 0.18 0.00 0.00 0.00 0.00 46.02 44.84 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 0.02 0.00 -0.61 6.09 -1.22 -1.78 117.51 120.01 1itw h ILE 297 Ca 0.00 -0.42 -0.01 0.00 -1.37 0.00 0.00 64.86 63.06 1itw h ILE 297 Cb 0.00 1.41 -0.00 0.00 0.47 0.00 0.00 36.82 38.70 1itw h ILE 297 CO 0.00 0.01 -0.05 1.23 -3.07 0.00 0.00 178.15 176.27 1itw h GLY 298 N 1.60 0.00 1.94 8.18 0.00 -1.44 -0.03 103.07 113.33 1itw h GLY 298 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1itw h GLY 298 CO 0.00 0.00 -0.33 -1.80 0.00 0.00 0.00 176.54 174.41 1itw h ASP 299 N 0.00 0.07 -0.07 0.19 1.82 -1.46 -2.38 116.42 114.58 1itw h ASP 299 Ca -0.00 -0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.57 1itw h ASP 299 Cb 0.10 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1itw h ASP 299 CO 0.01 0.39 -0.14 0.25 -1.61 0.00 0.00 179.24 178.14 1itw h LEU 300 N 0.06 0.25 -1.64 2.28 6.46 -1.14 -2.57 115.31 119.01 1itw h LEU 300 Ca 0.01 -0.56 -0.00 0.00 -0.12 0.00 0.00 57.88 57.20 1itw h LEU 300 Cb 0.61 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1itw h LEU 300 CO 0.04 0.77 0.20 1.88 -0.62 0.00 0.00 178.44 180.71 1itw h TYR 301 N -0.26 0.42 -0.07 1.25 -1.99 -1.28 -0.88 116.97 114.17 1itw h TYR 301 Ca 0.00 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.64 1itw h TYR 301 Cb 0.72 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1itw h TYR 301 CO 0.11 0.28 -0.35 0.00 -0.00 0.00 0.00 178.16 178.20 1itw h ALA 302 N 1.77 0.14 0.00 3.88 0.00 -1.45 -3.33 119.26 120.27 1itw h ALA 302 Ca 0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1itw h ALA 302 Cb -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1itw h ALA 302 CO -0.02 0.22 -0.16 0.00 0.00 0.00 0.00 179.25 179.29 1itw h ARG 303 N -0.13 0.00 0.00 0.00 3.08 -1.15 -3.15 114.38 113.03 1itw h ARG 303 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1itw h ARG 303 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1itw h ARG 303 CO 0.07 0.16 0.00 0.44 -1.07 0.00 0.00 179.97 179.57 1itw n ILE 304 N -3.22 0.28 0.31 2.04 -5.35 -0.36 -3.17 119.36 109.90 1itw n ILE 304 Ca 0.01 0.07 0.09 0.00 -0.27 0.00 0.00 62.75 62.66 1itw n ILE 304 Cb 0.47 -0.65 0.41 0.00 -1.74 0.00 0.00 39.64 38.13 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 -1.44 0.11 0.00 6.28 5.02 -1.19 -1.51 118.16 125.43 1itw n LYS 305 Ca 0.07 0.45 0.13 0.00 -2.02 0.00 0.00 58.31 56.94 1itw n LYS 305 Cb 0.26 -1.76 0.36 0.00 -0.02 0.00 0.00 35.03 33.87 1itw n LYS 305 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1itw n THR 306 N -1.99 0.00 -3.15 -0.18 -2.24 -1.19 -4.92 114.28 100.61 1itw n THR 306 Ca 0.01 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 1itw n THR 306 Cb 0.14 0.46 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1itw n THR 306 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1itw s LEU 307 N -2.47 3.76 0.36 3.22 1.43 -0.57 -5.05 118.68 119.37 1itw s LEU 307 Ca 0.25 0.15 -0.28 0.00 -1.03 0.00 0.00 54.13 53.22 1itw s LEU 307 Cb 0.19 -3.05 -0.11 0.00 0.03 0.00 0.00 46.19 43.26 1itw s LEU 307 CO 0.51 -0.60 1.49 -2.84 0.23 0.00 0.00 176.35 175.14 1itw s PRO 308 N -4.43 4.13 0.49 1.29 0.02 -1.26 -4.75 135.00 130.49 1itw s PRO 308 Ca 0.47 2.55 0.28 0.00 0.02 0.00 0.00 61.00 64.31 1itw s PRO 308 Cb -0.10 -2.99 1.35 0.00 0.02 0.00 0.00 34.50 32.79 1itw s PRO 308 CO 0.36 -0.53 1.84 1.49 -0.33 0.00 0.00 177.00 179.83 1itw h GLU 309 N 3.36 0.15 -0.40 5.54 4.81 -1.95 0.18 114.58 126.26 1itw h GLU 309 Ca -0.50 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1itw h GLU 309 Cb 1.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1itw h GLU 309 CO 0.67 0.10 0.15 0.00 -0.73 0.00 0.00 179.01 179.20 1itw h ALA 310 N 1.54 0.53 -0.64 2.92 0.00 -1.99 0.70 119.26 122.32 1itw h ALA 310 Ca 0.50 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1itw h ALA 310 Cb 1.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1itw h ALA 310 CO -0.10 0.14 0.05 -0.22 0.00 0.00 0.00 179.25 179.13 1itw h LYS 311 N 0.51 1.10 -0.59 0.00 1.63 -1.05 -1.97 116.57 116.20 1itw h LYS 311 Ca 0.13 -0.32 -0.02 0.00 -0.85 0.00 0.00 60.65 59.59 1itw h LYS 311 Cb 0.21 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1itw h LYS 311 CO -0.01 1.03 0.29 1.96 -3.45 0.00 0.00 179.45 179.28 1itw h GLN 312 N 1.01 0.84 -0.57 1.90 4.20 -0.89 -1.39 115.11 120.21 1itw h GLN 312 Ca 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1itw h GLN 312 Cb 0.51 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1itw h GLN 312 CO 0.02 0.67 0.32 -0.22 -0.67 0.00 0.00 178.83 178.95 1itw h LYS 313 N 0.80 0.78 0.13 1.46 3.64 -0.61 -1.14 116.57 121.64 1itw h LYS 313 Ca 0.20 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1itw h LYS 313 Cb 0.10 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1itw h LYS 313 CO -0.03 0.59 -0.06 1.49 -2.27 0.00 0.00 179.45 179.17 1itw h GLU 314 N 0.76 -0.17 -0.31 1.90 4.81 -1.12 -0.54 114.58 119.92 1itw h GLU 314 Ca 0.20 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1itw h GLU 314 Cb 0.03 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1itw h GLU 314 CO -0.03 0.01 0.06 0.82 -0.73 0.00 0.00 179.01 179.14 1itw h ILE 315 N -0.32 0.85 -0.48 2.32 2.04 -1.15 0.72 117.51 121.50 1itw h ILE 315 Ca -0.02 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1itw h ILE 315 Cb 0.25 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1itw h ILE 315 CO 0.03 0.03 0.24 -0.33 0.00 0.00 0.00 178.15 178.12 1itw h GLU 316 N 0.18 0.66 -0.32 2.37 5.08 -1.13 -1.39 114.58 120.03 1itw h GLU 316 Ca 0.14 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1itw h GLU 316 Cb 0.15 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1itw h GLU 316 CO -0.19 0.51 -0.44 0.00 -1.00 0.00 0.00 179.01 177.89 1itw h ALA 317 N 1.60 0.61 0.00 3.43 0.00 -0.10 -2.13 119.26 122.67 1itw h ALA 317 Ca 0.17 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1itw h ALA 317 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1itw h ALA 317 CO -0.03 0.68 -0.40 -0.44 0.00 0.00 0.00 179.25 179.06 1itw h ASP 318 N 0.67 0.00 -0.18 0.00 3.32 -0.23 -1.23 116.42 118.77 1itw h ASP 318 Ca 0.04 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.88 1itw h ASP 318 Cb 1.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.57 1itw h ASP 318 CO 0.10 0.40 -0.73 0.40 -1.72 0.00 0.00 179.24 177.69 1itw h ILE 319 N 0.00 1.28 -0.37 0.35 2.04 -1.14 -2.46 117.51 117.21 1itw h ILE 319 Ca -0.00 -1.92 -0.03 0.00 1.00 0.00 0.00 64.86 63.91 1itw h ILE 319 Cb 0.72 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1itw h ILE 319 CO 0.05 0.61 0.10 1.56 0.00 0.00 0.00 178.15 180.47 1itw h GLN 320 N 0.54 0.53 -0.22 2.37 1.08 -1.03 -0.73 115.11 117.65 1itw h GLN 320 Ca -0.04 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.02 1itw h GLN 320 Cb 1.35 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 1itw h GLN 320 CO 0.15 0.49 -0.13 0.00 -0.95 0.00 0.00 178.83 178.39 1itw h ALA 321 N 1.59 1.37 -0.27 3.87 0.00 -1.01 -2.46 119.26 122.34 1itw h ALA 321 Ca 0.12 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1itw h ALA 321 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1itw h ALA 321 CO -0.01 0.43 -0.06 0.28 0.00 0.00 0.00 179.25 179.90 1itw h VAL 322 N 0.34 1.28 -0.49 0.00 2.07 -0.69 -2.90 116.25 115.86 1itw h VAL 322 Ca 0.07 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.58 1itw h VAL 322 Cb 0.44 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1itw h VAL 322 CO 0.03 0.34 0.33 1.88 0.02 0.00 0.00 177.57 180.16 1itw h TYR 323 N 0.28 0.41 0.00 1.57 0.99 -0.94 -0.27 116.97 119.01 1itw h TYR 323 Ca 0.07 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1itw h TYR 323 Cb 0.52 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 38.12 1itw h TYR 323 CO 0.05 0.22 -0.05 0.00 -0.00 0.00 0.00 178.16 178.38 1itw h ALA 324 N 1.74 1.00 0.00 3.88 0.00 -1.26 -3.17 119.26 121.45 1itw h ALA 324 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1itw h ALA 324 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1itw h ALA 324 CO -0.05 0.06 -1.92 0.94 0.00 0.00 0.00 179.25 178.27 1itw n GLN 325 N -3.15 0.62 -3.12 0.00 -0.06 -0.26 -4.99 117.38 106.42 1itw n GLN 325 Ca 0.01 -0.18 -0.18 0.00 -2.00 0.00 0.00 57.00 54.65 1itw n GLN 325 Cb 0.37 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 1itw n GLN 325 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1itw s ARG 326 N -3.45 2.81 0.89 3.69 3.00 -0.35 -5.09 118.95 120.45 1itw s ARG 326 Ca -0.07 -1.27 -0.12 0.00 0.00 0.00 0.00 55.73 54.28 1itw s ARG 326 Cb 0.14 -2.71 0.12 0.00 0.00 0.00 0.00 34.95 32.50 1itw s ARG 326 CO 0.88 -0.23 1.11 -1.25 0.00 0.00 0.00 175.30 175.81 1itw s PRO 327 N -4.30 1.34 0.42 3.54 0.04 -1.26 -4.90 135.00 129.88 1itw s PRO 327 Ca 0.53 0.52 -0.22 0.00 0.04 0.00 0.00 61.00 61.87 1itw s PRO 327 Cb -0.09 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 1itw s PRO 327 CO 0.32 -2.11 0.99 -0.65 0.04 0.00 0.00 177.00 175.60 1itw s GLN 328 N -5.14 4.15 0.07 4.56 -0.21 -1.26 -4.87 119.66 116.96 1itw s GLN 328 Ca 0.63 1.30 -0.01 0.00 0.02 0.00 0.00 55.36 57.30 1itw s GLN 328 Cb -0.16 -2.32 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 1itw s GLN 328 CO 0.55 -0.12 0.23 -0.51 -2.12 0.00 0.00 175.29 173.32 1itw s LEU 329 N -2.99 4.35 0.51 2.90 1.43 -1.26 -0.44 118.68 123.17 1itw s LEU 329 Ca 0.61 0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 53.82 1itw s LEU 329 Cb -0.15 -2.99 -0.06 0.00 0.03 0.00 0.00 46.19 43.02 1itw s LEU 329 CO 0.19 0.16 1.25 0.00 0.23 0.00 0.00 176.35 178.18 1itw s ALA 330 N -1.52 2.85 0.04 4.21 0.00 -0.48 -4.26 121.76 122.60 1itw s ALA 330 Ca 0.35 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1itw s ALA 330 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1itw s ALA 330 CO 0.27 -1.02 -0.05 -1.64 0.00 0.00 0.00 175.76 173.32 1itw s MET 331 N -2.88 2.49 -0.11 0.00 1.00 0.16 -1.48 119.30 118.50 1itw s MET 331 Ca 0.69 -0.80 -0.05 0.00 0.00 0.00 0.00 55.69 55.53 1itw s MET 331 Cb -0.34 -2.49 -0.26 0.00 0.00 0.00 0.00 34.83 31.74 1itw s MET 331 CO 0.40 0.57 0.42 0.28 0.00 0.00 0.00 175.02 176.68 1itw n VAL 332 N 1.12 1.77 -3.37 -6.03 0.31 0.31 -4.55 118.33 107.89 1itw n VAL 332 Ca -0.14 -0.68 -0.16 0.00 -0.01 0.00 0.00 64.34 63.35 1itw n VAL 332 Cb 0.52 -1.67 -0.08 0.00 -0.91 0.00 0.00 33.84 31.70 1itw n VAL 332 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1itw s ASN 333 N -6.95 1.34 0.37 4.52 3.84 -0.96 -5.02 114.94 112.08 1itw s ASN 333 Ca -0.20 -1.09 0.05 0.00 0.21 0.00 0.00 52.86 51.83 1itw s ASN 333 Cb 0.07 0.58 0.73 0.00 -0.55 0.00 0.00 41.25 42.08 1itw s ASN 333 CO 0.78 -0.33 1.98 0.77 -2.79 0.00 0.00 177.10 177.52 1itw h SER 334 N 7.72 0.51 -0.75 -4.21 4.64 -1.85 -1.08 113.55 118.53 1itw h SER 334 Ca -0.05 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1itw h SER 334 Cb 1.07 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 1itw h SER 334 CO 0.27 0.45 0.36 0.44 -0.87 0.00 0.00 176.83 177.48 1itw h ASP 335 N 0.58 0.99 -0.44 4.97 3.32 -1.95 -2.75 116.42 121.14 1itw h ASP 335 Ca 0.15 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1itw h ASP 335 Cb 0.08 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1itw h ASP 335 CO -0.02 0.85 0.00 0.29 -1.72 0.00 0.00 179.24 178.64 1itw n LYS 336 N -4.32 2.44 -1.60 3.56 5.02 -1.05 -4.95 118.16 117.26 1itw n LYS 336 Ca 0.07 -2.19 -0.12 0.00 -2.02 0.00 0.00 58.31 54.06 1itw n LYS 336 Cb 0.14 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1itw n LYS 336 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1itw n GLY 337 N 1.48 0.86 3.58 0.72 0.00 -0.75 -4.97 105.19 106.12 1itw n GLY 337 Ca 0.20 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.47 4.57 0.71 -0.61 -1.09 -0.48 -5.00 121.20 116.83 1itw s ILE 338 Ca 0.00 0.91 -0.03 0.00 -2.23 0.00 0.00 60.65 59.30 1itw s ILE 338 Cb 0.00 -4.35 0.11 0.00 -1.58 0.00 0.00 42.46 36.64 1itw s ILE 338 CO 0.00 -0.65 0.99 0.42 -1.23 0.00 0.00 174.94 174.47 1itw s THR 339 N 3.51 2.23 0.16 2.92 -4.23 -1.26 -0.53 115.64 118.44 1itw s THR 339 Ca 0.36 -0.51 0.34 0.00 -1.18 0.00 0.00 61.69 60.70 1itw s THR 339 Cb -0.11 -2.73 0.36 0.00 1.34 0.00 0.00 72.50 71.36 1itw s THR 339 CO 0.22 0.00 2.03 -1.13 -0.54 0.00 0.00 174.62 175.19 1itw h ASN 340 N -0.54 0.00 -0.23 3.99 -0.00 -1.59 -2.49 115.58 114.72 1itw h ASN 340 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.91 1itw h ASN 340 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.60 1itw h ASN 340 CO 0.45 0.00 0.00 0.18 -0.00 0.00 0.00 177.43 178.06 1itw n LEU 341 N -2.82 3.16 -0.03 0.34 4.77 -1.26 -4.54 117.00 116.61 1itw n LEU 341 Ca -0.01 -1.31 -0.14 0.00 -0.03 0.00 0.00 56.01 54.53 1itw n LEU 341 Cb 0.17 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1itw n LEU 341 CO 0.21 0.63 0.54 0.45 -1.33 0.00 0.00 177.39 177.89 1itw h HIS 342 N 4.25 0.11 -3.22 -1.77 3.86 -1.82 -1.59 115.15 114.97 1itw h HIS 342 Ca 0.00 -0.05 -0.50 0.00 -1.16 0.00 0.00 60.37 58.66 1itw h HIS 342 Cb 0.94 -0.02 -0.37 0.00 1.06 0.00 0.00 27.41 29.02 1itw h HIS 342 CO 0.14 0.70 -0.80 0.08 0.86 0.00 0.00 177.93 178.92 1itw s VAL 343 N -3.70 0.88 0.33 2.45 1.01 -1.26 -1.40 120.40 118.71 1itw s VAL 343 Ca -0.16 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1itw s VAL 343 Cb 0.01 -0.92 0.32 0.00 0.00 0.00 0.00 36.38 35.79 1itw s VAL 343 CO 0.70 0.34 1.77 -0.65 0.00 0.00 0.00 175.10 177.26 1itw h PRO 344 N 8.08 0.63 -0.00 2.72 0.11 -1.87 -1.99 132.00 139.69 1itw h PRO 344 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1itw h PRO 344 Cb 1.13 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1itw h PRO 344 CO 0.39 0.42 -0.11 -1.13 -0.21 0.00 0.00 178.00 177.36 1itw n SER 345 N -4.76 0.21 0.26 -2.05 3.41 -1.26 -4.22 113.62 105.21 1itw n SER 345 Ca 0.24 -0.06 -0.16 0.00 -0.26 0.00 0.00 58.87 58.63 1itw n SER 345 Cb 0.66 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.16 -0.51 -3.63 4.04 5.19 -1.74 -3.40 116.42 116.53 1itw h ASP 346 Ca 0.00 -0.01 -0.68 0.00 -0.62 0.00 0.00 57.03 55.72 1itw h ASP 346 Cb 0.41 0.13 -0.18 0.00 0.18 0.00 0.00 39.33 39.87 1itw h ASP 346 CO 0.00 -0.32 -0.34 -0.69 -3.12 0.00 0.00 179.24 174.76 1itw s VAL 347 N -5.86 5.20 -0.25 -1.35 1.01 -1.26 -5.05 120.40 112.83 1itw s VAL 347 Ca -0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1itw s VAL 347 Cb 0.04 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1itw s VAL 347 CO 0.62 -0.16 0.02 -0.63 0.00 0.00 0.00 175.10 174.95 1itw s ILE 348 N 1.91 3.75 0.26 2.22 1.01 -1.26 -4.17 121.20 124.92 1itw s ILE 348 Ca 0.09 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 1itw s ILE 348 Cb -0.17 -2.81 0.38 0.00 0.01 0.00 0.00 42.46 39.87 1itw s ILE 348 CO 0.11 0.28 1.59 1.62 0.00 0.00 0.00 174.94 178.54 1itw h VAL 349 N 5.75 0.13 -0.40 2.92 3.04 -1.31 0.24 116.25 126.61 1itw h VAL 349 Ca -0.37 -0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.39 1itw h VAL 349 Cb 1.15 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.53 1itw h VAL 349 CO 0.59 0.00 0.28 -2.24 -1.01 0.00 0.00 177.57 175.20 1itw h ASP 350 N 0.01 0.18 0.00 3.17 -0.00 -1.92 -2.55 116.42 115.32 1itw h ASP 350 Ca 0.44 0.00 -0.38 0.00 -0.00 0.00 0.00 57.03 57.09 1itw h ASP 350 Cb 0.72 -0.04 -0.07 0.00 -0.00 0.00 0.00 39.33 39.94 1itw h ASP 350 CO -0.88 0.12 -2.43 0.00 -0.00 0.00 0.00 179.24 176.04 1itw n ALA 351 N -2.55 1.47 -0.04 4.15 0.00 -0.45 -4.42 120.51 118.66 1itw n ALA 351 Ca 0.06 -1.22 -0.08 0.00 0.00 0.00 0.00 53.44 52.20 1itw n ALA 351 Cb 0.33 -0.14 0.09 0.00 0.00 0.00 0.00 19.45 19.73 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 0.69 -0.23 0.00 4.64 -0.48 -2.63 113.55 115.54 1itw h SER 352 Ca -0.56 -0.28 -0.10 0.00 -0.47 0.00 0.00 61.79 60.37 1itw h SER 352 Cb 2.07 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1itw h SER 352 CO -0.03 0.97 -0.25 0.24 -0.87 0.00 0.00 176.83 176.88 1itw h MET 353 N 0.56 0.57 -0.43 4.77 2.86 -1.69 -1.57 114.93 120.00 1itw h MET 353 Ca 0.06 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.32 1itw h MET 353 Cb 0.84 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1itw h MET 353 CO 0.07 0.91 -0.02 -1.35 1.06 0.00 0.00 176.91 177.57 1itw h PRO 354 N 0.26 0.72 -0.71 -0.22 0.11 -1.77 -0.20 132.00 130.20 1itw h PRO 354 Ca 0.03 -0.19 -0.06 0.00 0.11 0.00 0.00 66.00 65.89 1itw h PRO 354 Cb 0.82 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 1itw h PRO 354 CO 0.06 0.75 0.20 0.00 -0.21 0.00 0.00 178.00 178.80 1itw h ALA 355 N 1.30 1.01 -0.22 -0.75 0.00 -1.39 0.55 119.26 119.76 1itw h ALA 355 Ca 0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1itw h ALA 355 Cb 0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1itw h ALA 355 CO 0.02 0.65 -0.24 1.98 0.00 0.00 0.00 179.25 181.66 1itw h MET 356 N 1.06 0.56 -0.69 0.00 1.85 -0.94 -2.01 114.93 114.75 1itw h MET 356 Ca 0.23 -0.30 -0.04 0.00 -0.61 0.00 0.00 59.70 58.98 1itw h MET 356 Cb 0.33 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.35 1itw h MET 356 CO -0.00 0.89 0.29 0.82 -0.40 0.00 0.00 176.91 178.51 1itw h ILE 357 N 0.24 1.24 -0.58 1.77 2.04 -0.82 0.22 117.51 121.61 1itw h ILE 357 Ca 0.03 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 1itw h ILE 357 Cb 0.80 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1itw h ILE 357 CO 0.06 0.29 0.06 -0.09 0.00 0.00 0.00 178.15 178.48 1itw h ARG 358 N 0.97 0.99 -2.83 2.37 2.43 -0.88 -3.22 114.38 114.20 1itw h ARG 358 Ca 0.23 -0.28 -0.71 0.00 -0.81 0.00 0.00 59.98 58.41 1itw h ARG 358 Cb 0.18 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 1itw h ARG 358 CO -0.02 0.95 2.97 -3.47 -1.51 0.00 0.00 179.97 178.89 1itw n ASP 359 N -4.29 8.10 -1.63 -3.80 2.03 -0.76 -1.55 116.55 114.65 1itw n ASP 359 Ca 0.03 -2.92 -0.16 0.00 0.52 0.00 0.00 54.79 52.26 1itw n ASP 359 Cb 0.30 -1.45 -0.06 0.00 -0.72 0.00 0.00 41.12 39.19 1itw n ASP 359 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1itw n SER 360 N 2.62 -4.32 -0.96 1.67 7.64 -1.23 -1.30 113.62 117.73 1itw n SER 360 Ca 0.68 0.35 -0.10 0.00 1.01 0.00 0.00 58.87 60.80 1itw n SER 360 Cb 0.25 -3.88 -0.02 0.00 -1.01 0.00 0.00 64.21 59.55 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 -0.40 0.46 3.56 0.23 0.00 0.74 -4.88 105.19 104.90 1itw n GLY 361 Ca -0.17 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.79 1.92 0.20 1.61 1.02 -0.42 -3.88 119.74 116.40 1itw s LYS 362 Ca 0.00 -1.76 0.00 0.00 0.02 0.00 0.00 55.97 54.24 1itw s LYS 362 Cb 0.00 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1itw s LYS 362 CO 0.00 0.23 0.07 -1.64 -0.92 0.00 0.00 175.35 173.09 1itw s MET 363 N -3.62 1.19 0.16 1.68 -1.94 -0.73 -4.57 119.30 111.47 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 -0.04 -0.07 0.00 2.01 0.00 0.00 34.83 36.72 1itw s MET 363 CO 0.17 -0.27 1.01 -1.58 -0.01 0.00 0.00 175.02 174.34 1itw s TRP 364 N -3.89 3.77 0.54 -0.03 0.52 -1.26 -1.44 118.94 117.15 1itw s TRP 364 Ca 0.32 1.75 0.09 0.00 0.02 0.00 0.00 56.10 58.28 1itw s TRP 364 Cb 0.07 -3.12 0.07 0.00 -1.15 0.00 0.00 33.47 29.34 1itw s TRP 364 CO 0.08 -0.04 0.73 0.20 0.02 0.00 0.00 176.95 177.95 1itw s GLY 365 N -0.26 1.81 0.65 0.98 0.00 0.09 0.41 107.32 110.99 1itw s GLY 365 Ca 0.47 -2.02 0.39 0.00 0.00 0.00 0.00 44.72 43.56 1itw s GLY 365 CO 0.32 -1.67 2.28 -2.55 0.00 0.00 0.00 173.10 171.48 1itw h PRO 366 N 0.30 0.00 -0.33 2.90 0.11 -1.88 -1.03 132.00 132.06 1itw h PRO 366 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1itw h PRO 366 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1itw h PRO 366 CO 0.43 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.82 1itw n ASP 367 N -3.23 1.78 -1.07 -2.05 5.68 -1.26 -4.89 116.55 111.51 1itw n ASP 367 Ca -0.03 -2.00 -0.12 0.00 -0.50 0.00 0.00 54.79 52.14 1itw n ASP 367 Cb 0.13 -0.22 -0.04 0.00 -1.14 0.00 0.00 41.12 39.85 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 1.03 0.95 3.45 6.12 0.00 -0.39 -5.01 105.19 111.34 1itw n GLY 368 Ca 0.11 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.45 1.60 0.31 1.61 1.02 -1.26 -4.89 119.74 114.67 1itw s LYS 369 Ca 0.00 -1.79 -0.25 0.00 0.02 0.00 0.00 55.97 53.95 1itw s LYS 369 Cb 0.00 -1.37 -0.10 0.00 -0.52 0.00 0.00 37.83 35.84 1itw s LYS 369 CO 0.00 0.13 0.91 -0.51 -0.92 0.00 0.00 175.35 174.96 1itw s LEU 370 N -3.47 4.34 0.06 3.17 1.43 -1.26 -0.74 118.68 122.21 1itw s LEU 370 Ca 0.29 1.77 -0.14 0.00 -1.03 0.00 0.00 54.13 55.03 1itw s LEU 370 Cb 0.01 -3.95 0.02 0.00 0.03 0.00 0.00 46.19 42.30 1itw s LEU 370 CO 0.13 -0.05 0.31 -1.00 0.23 0.00 0.00 176.35 175.97 1itw s HIS 371 N -1.60 -0.10 0.83 0.29 3.76 -0.52 -4.90 115.29 113.05 1itw s HIS 371 Ca 0.49 -0.09 -0.12 0.00 -0.15 0.00 0.00 55.06 55.19 1itw s HIS 371 Cb -0.18 0.11 0.10 0.00 1.11 0.00 0.00 32.58 33.71 1itw s HIS 371 CO 0.23 -0.54 1.16 -0.51 -0.85 0.00 0.00 174.74 174.23 1itw s ASP 372 N -2.27 3.56 -0.01 1.40 1.01 -1.26 -1.77 116.67 117.34 1itw s ASP 372 Ca -0.03 2.20 -0.09 0.00 0.71 0.00 0.00 52.55 55.34 1itw s ASP 372 Cb 0.00 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1itw s ASP 372 CO -0.05 -2.68 0.18 0.28 0.21 0.00 0.00 175.17 173.11 1itw s THR 373 N -2.46 0.07 -0.45 -1.27 -1.32 -1.25 -1.83 115.64 107.13 1itw s THR 373 Ca 0.69 -0.57 -0.19 0.00 -1.21 0.00 0.00 61.69 60.41 1itw s THR 373 Cb -0.24 -0.46 0.03 0.00 -1.51 0.00 0.00 72.50 70.32 1itw s THR 373 CO 0.53 -0.31 0.53 -0.75 -2.21 0.00 0.00 174.62 172.41 1itw s LYS 374 N -1.22 3.14 -0.46 7.08 2.20 0.45 -2.48 119.74 128.45 1itw s LYS 374 Ca -0.13 -0.71 -0.22 0.00 -0.36 0.00 0.00 55.97 54.56 1itw s LYS 374 Cb -0.06 -4.00 0.03 0.00 -1.51 0.00 0.00 37.83 32.29 1itw s LYS 374 CO 0.02 -0.99 0.72 0.00 -0.36 0.00 0.00 175.35 174.75 1itw s ALA 375 N 2.41 3.31 -0.25 3.13 0.00 0.03 -1.71 121.76 128.69 1itw s ALA 375 Ca 0.15 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 1itw s ALA 375 Cb -0.17 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1itw s ALA 375 CO 0.14 -1.93 1.03 0.08 0.00 0.00 0.00 175.76 175.08 1itw s VAL 376 N 3.08 4.66 -0.40 0.00 1.01 0.31 -0.72 120.40 128.33 1itw s VAL 376 Ca 0.25 1.93 0.01 0.00 0.00 0.00 0.00 61.98 64.17 1itw s VAL 376 Cb -0.14 -4.31 0.14 0.00 0.00 0.00 0.00 36.38 32.07 1itw s VAL 376 CO 0.19 -0.23 0.24 -0.63 0.00 0.00 0.00 175.10 174.67 1itw s ILE 377 N 3.26 0.75 0.17 2.22 1.01 -0.47 -1.27 121.20 126.87 1itw s ILE 377 Ca 0.43 -2.20 -0.27 0.00 0.00 0.00 0.00 60.65 58.62 1itw s ILE 377 Cb -0.14 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.81 1itw s ILE 377 CO 0.08 -0.97 1.56 -0.65 0.00 0.00 0.00 174.94 174.96 1itw h PRO 378 N 6.75 -0.17 -6.67 2.79 0.11 -1.90 -3.36 132.00 129.56 1itw h PRO 378 Ca 0.05 0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.67 1itw h PRO 378 Cb 0.94 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1itw h PRO 378 CO 0.37 -0.11 0.37 0.34 -0.21 0.00 0.00 178.00 178.76 1itw s ASP 379 N -5.25 7.54 0.16 -2.05 -1.08 -1.26 -0.49 116.67 114.24 1itw s ASP 379 Ca -0.14 1.92 0.22 0.00 -0.52 0.00 0.00 52.55 54.03 1itw s ASP 379 Cb 0.13 -2.60 0.88 0.00 -1.46 0.00 0.00 42.92 39.87 1itw s ASP 379 CO 0.65 0.02 1.67 0.54 0.52 0.00 0.00 175.17 178.58 1itw n ARG 380 N 2.06 0.13 -0.20 4.34 1.74 -1.26 -3.61 116.66 119.86 1itw n ARG 380 Ca 0.00 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1itw n ARG 380 Cb 0.48 -1.72 0.09 0.00 -1.02 0.00 0.00 32.46 30.29 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 -5.26 0.00 -0.26 0.00 4.02 -1.26 -4.72 117.16 109.68 1itw n TYR 382 Ca 0.08 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.07 1itw n TYR 382 Cb 0.34 0.00 0.35 0.00 -0.02 0.00 0.00 39.34 40.01 1itw n TYR 382 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1itw h ALA 383 N 0.00 1.76 -0.47 -0.72 0.00 -1.64 -2.32 119.26 115.86 1itw h ALA 383 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1itw h ALA 383 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1itw h ALA 383 CO 0.00 0.03 0.24 0.78 0.00 0.00 0.00 179.25 180.30 1itw h GLY 384 N 0.75 0.70 0.89 0.00 0.00 -1.85 -2.57 103.07 100.99 1itw h GLY 384 Ca 0.42 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.47 1itw h GLY 384 CO -0.19 0.29 0.11 -2.08 0.00 0.00 0.00 176.54 174.67 1itw h VAL 385 N 0.66 0.99 -0.51 4.60 2.07 -1.74 -1.36 116.25 120.95 1itw h VAL 385 Ca 0.17 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 1itw h VAL 385 Cb 0.04 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1itw h VAL 385 CO -0.03 0.04 0.02 1.88 0.02 0.00 0.00 177.57 179.50 1itw h TYR 386 N 0.23 0.90 -0.69 1.57 0.99 -1.58 -2.71 116.97 115.67 1itw h TYR 386 Ca 0.09 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 1itw h TYR 386 Cb 0.03 -0.25 -0.03 0.00 1.00 0.00 0.00 36.73 37.48 1itw h TYR 386 CO -0.10 0.81 0.30 0.37 -0.00 0.00 0.00 178.16 179.54 1itw h GLN 387 N 0.79 1.02 -0.51 4.88 5.75 -1.10 -1.59 115.11 124.34 1itw h GLN 387 Ca 0.15 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1itw h GLN 387 Cb 0.45 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1itw h GLN 387 CO 0.02 0.83 0.31 0.28 -2.65 0.00 0.00 178.83 177.62 1itw h VAL 388 N 0.98 1.05 -0.72 2.39 2.07 -0.99 0.28 116.25 121.32 1itw h VAL 388 Ca 0.23 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1itw h VAL 388 Cb 0.17 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1itw h VAL 388 CO -0.02 0.11 0.34 0.58 0.02 0.00 0.00 177.57 178.60 1itw h VAL 389 N 0.61 1.24 -0.36 2.57 2.07 -1.19 0.16 116.25 121.35 1itw h VAL 389 Ca 0.21 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1itw h VAL 389 Cb 0.02 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1itw h VAL 389 CO -0.09 0.28 0.14 0.40 0.02 0.00 0.00 177.57 178.31 1itw h ILE 390 N 1.01 1.19 -0.37 4.57 2.04 -0.79 -1.11 117.51 124.05 1itw h ILE 390 Ca 0.25 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 1itw h ILE 390 Cb 0.12 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1itw h ILE 390 CO -0.03 0.21 -0.06 -0.33 0.00 0.00 0.00 178.15 177.94 1itw h GLU 391 N 0.43 0.61 -0.58 2.37 5.08 -0.65 -1.80 114.58 120.05 1itw h GLU 391 Ca 0.12 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1itw h GLU 391 Cb 0.20 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1itw h GLU 391 CO -0.01 0.68 0.29 0.22 -1.00 0.00 0.00 179.01 179.19 1itw h ASP 392 N 0.57 0.75 0.34 1.42 3.58 -0.19 -1.58 116.42 121.30 1itw h ASP 392 Ca 0.11 -0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 1itw h ASP 392 Cb 0.46 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1itw h ASP 392 CO 0.02 0.66 -0.54 0.00 -2.88 0.00 0.00 179.24 176.50 1itw h LYS 394 N 0.17 1.03 0.16 0.00 1.57 -1.01 0.46 116.57 118.96 1itw h LYS 394 Ca 0.00 -0.35 -0.31 0.00 -1.87 0.00 0.00 60.65 58.12 1itw h LYS 394 Cb 1.00 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1itw h LYS 394 CO 0.08 1.04 -1.43 0.37 -0.57 0.00 0.00 179.45 178.95 1itw h GLN 395 N 0.93 0.35 -0.01 3.15 4.15 -1.16 -3.33 115.11 119.18 1itw h GLN 395 Ca 0.15 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1itw h GLN 395 Cb 0.62 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1itw h GLN 395 CO 0.04 1.26 -0.05 0.72 -1.93 0.00 0.00 178.83 178.87 1itw n HIS 396 N -3.56 0.00 0.00 3.99 8.25 0.47 -5.07 115.22 119.30 1itw n HIS 396 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1itw n HIS 396 Cb 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.17 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 0.63 -1.03 3.71 -1.41 0.00 0.16 -4.93 105.19 102.32 1itw n GLY 397 Ca 0.05 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.15 2.06 0.50 4.61 0.00 -1.26 -4.46 121.76 122.05 1itw s ALA 398 Ca 0.00 0.97 -0.21 0.00 0.00 0.00 0.00 51.96 52.71 1itw s ALA 398 Cb 0.00 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 1itw s ALA 398 CO 0.00 -2.00 1.16 -0.06 0.00 0.00 0.00 175.76 174.86 1itw s PHE 399 N -1.88 2.78 -0.46 0.00 0.40 -1.26 -5.00 117.98 112.56 1itw s PHE 399 Ca 0.76 1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 58.52 1itw s PHE 399 Cb -0.32 -3.35 0.09 0.00 0.51 0.00 0.00 43.02 39.95 1itw s PHE 399 CO 0.46 -1.57 0.34 0.34 0.70 0.00 0.00 175.22 175.49 1itw s ASP 400 N -1.52 5.82 0.66 1.36 -1.08 -1.26 -4.95 116.67 115.71 1itw s ASP 400 Ca 0.68 -1.60 0.43 0.00 -0.52 0.00 0.00 52.55 51.54 1itw s ASP 400 Cb -0.27 -2.06 2.36 0.00 -1.46 0.00 0.00 42.92 41.49 1itw s ASP 400 CO 0.32 -0.63 2.36 -0.65 0.52 0.00 0.00 175.17 177.08 1itw h PRO 401 N 8.54 0.00 0.00 4.34 0.11 -1.89 -0.09 132.00 143.02 1itw h PRO 401 Ca -0.24 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 1itw h PRO 401 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1itw h PRO 401 CO 0.84 0.00 -0.29 1.79 -0.21 0.00 0.00 178.00 180.13 1itw h THR 402 N 0.00 0.60 0.00 -1.15 1.35 -1.85 -3.37 112.91 108.48 1itw h THR 402 Ca -0.00 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1itw h THR 402 Cb 0.01 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1itw h THR 402 CO 0.00 0.29 -0.33 0.35 -0.25 0.00 0.00 175.52 175.58 1itw n THR 403 N -3.31 0.00 -1.73 6.82 -2.24 -0.90 -4.89 114.28 108.02 1itw n THR 403 Ca 0.01 -0.12 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 1itw n THR 403 Cb 0.54 0.58 0.07 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.88 2.55 0.00 -0.78 0.23 -0.09 -3.76 119.30 116.56 1itw s MET 404 Ca 0.00 1.95 0.00 0.00 -1.03 0.00 0.00 55.69 56.61 1itw s MET 404 Cb 0.00 -1.86 0.00 0.00 -1.53 0.00 0.00 34.83 31.44 1itw s MET 404 CO 0.00 -1.57 0.00 0.41 -2.03 0.00 0.00 175.02 171.83 1itw n GLY 405 N 0.71 -0.69 3.00 3.16 0.00 0.15 -4.79 105.19 106.74 1itw n GLY 405 Ca 0.15 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1itw n GLY 405 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1itw s SER 406 N -1.03 0.59 -0.38 1.61 0.15 -1.24 -4.95 113.70 108.44 1itw s SER 406 Ca 0.00 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1itw s SER 406 Cb 0.00 0.02 0.12 0.00 -1.71 0.00 0.00 66.02 64.45 1itw s SER 406 CO 0.00 -0.14 0.15 -0.69 1.20 0.00 0.00 173.24 173.76 1itw s VAL 407 N -0.96 1.45 0.94 4.45 1.01 -1.26 -1.84 120.40 124.19 1itw s VAL 407 Ca -0.07 -2.14 -0.14 0.00 0.00 0.00 0.00 61.98 59.62 1itw s VAL 407 Cb -0.07 -2.06 0.17 0.00 0.00 0.00 0.00 36.38 34.42 1itw s VAL 407 CO -0.00 -0.75 1.21 -2.84 0.00 0.00 0.00 175.10 172.72 1itw s PRO 408 N 0.88 0.85 0.00 2.72 0.02 -1.24 -4.83 135.00 133.42 1itw s PRO 408 Ca 0.13 -0.06 0.01 0.00 0.02 0.00 0.00 61.00 61.10 1itw s PRO 408 Cb -0.21 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 1itw s PRO 408 CO -0.11 -2.32 -0.04 1.21 -0.33 0.00 0.00 177.00 175.41 1itw s ASN 409 N -4.47 0.48 -0.28 2.53 3.84 -0.93 -1.22 114.94 114.88 1itw s ASN 409 Ca 0.68 -0.13 0.03 0.00 0.21 0.00 0.00 52.86 53.66 1itw s ASN 409 Cb -0.09 -0.04 0.07 0.00 -0.55 0.00 0.00 41.25 40.64 1itw s ASN 409 CO 0.52 0.01 -0.06 -0.69 -2.79 0.00 0.00 177.10 174.09 1itw s VAL 410 N -0.25 2.21 -0.02 -5.21 1.01 -0.19 -2.07 120.40 115.87 1itw s VAL 410 Ca -0.00 -1.84 0.04 0.00 0.00 0.00 0.00 61.98 60.18 1itw s VAL 410 Cb -0.03 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1itw s VAL 410 CO -0.00 -0.19 -0.13 -0.83 0.00 0.00 0.00 175.10 173.94 1itw s GLY 411 N 1.04 1.60 -0.31 4.51 0.00 0.55 -1.47 107.32 113.24 1itw s GLY 411 Ca -0.03 -1.04 -0.26 0.00 0.00 0.00 0.00 44.72 43.39 1itw s GLY 411 CO -0.06 -0.87 0.94 -2.27 0.00 0.00 0.00 173.10 170.84 1itw s LEU 412 N -1.06 4.02 0.00 0.66 2.96 -0.42 -0.52 118.68 124.32 1itw s LEU 412 Ca 0.14 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 1itw s LEU 412 Cb -0.11 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.26 1itw s LEU 412 CO 0.03 -0.74 0.00 1.15 -1.32 0.00 0.00 176.35 175.47 1itw n MET 413 N 6.52 0.11 -1.63 1.98 0.00 -1.26 -1.66 117.12 121.19 1itw n MET 413 Ca 0.08 0.00 -0.48 0.00 0.00 0.00 0.00 57.70 57.30 1itw n MET 413 Cb 0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 33.22 33.64 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 0.24 -3.17 3.17 0.00 -1.13 -2.70 120.51 116.92 1itw n ALA 414 Ca 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 1itw n ALA 414 Cb 0.00 -2.20 0.07 0.00 0.00 0.00 0.00 19.45 17.32 1itw n ALA 414 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1itw n GLN 415 N 2.66 -5.13 -4.02 0.00 6.02 -1.22 -3.46 117.38 112.22 1itw n GLN 415 Ca 0.16 0.71 -0.27 0.00 -0.01 0.00 0.00 57.00 57.59 1itw n GLN 415 Cb 0.25 -5.29 -0.04 0.00 1.02 0.00 0.00 30.24 26.19 1itw n GLN 415 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1itw n LYS 416 N -3.54 -2.67 -1.95 -1.09 5.02 -1.10 -4.85 118.16 107.98 1itw n LYS 416 Ca -0.22 0.33 -0.40 0.00 -2.02 0.00 0.00 58.31 56.00 1itw n LYS 416 Cb 0.64 -4.28 -0.00 0.00 -0.02 0.00 0.00 35.03 31.37 1itw n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1itw s ALA 417 N -4.03 3.41 0.00 7.82 0.00 -1.14 -2.48 121.76 125.35 1itw s ALA 417 Ca 0.02 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1itw s ALA 417 Cb -0.01 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1itw s ALA 417 CO 0.91 -0.91 0.00 0.39 0.00 0.00 0.00 175.76 176.16 1itw n GLU 418 N 0.35 0.00 -0.30 0.00 1.02 0.81 -2.89 120.64 119.64 1itw n GLU 418 Ca 0.02 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.43 1itw n GLU 418 Cb 0.41 0.00 0.61 0.00 -0.02 0.00 0.00 31.44 32.44 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 0.22 0.00 3.49 3.07 -1.87 -1.41 114.58 118.08 1itw h GLU 419 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1itw h GLU 419 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1itw h GLU 419 CO 0.00 0.15 0.00 1.88 -1.40 0.00 0.00 179.01 179.64 1itw h TYR 420 N 0.23 0.00 -0.11 4.33 -1.99 -1.76 -1.93 116.97 115.74 1itw h TYR 420 Ca 0.56 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.29 1itw h TYR 420 Cb 1.74 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.47 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 -0.95 4.29 0.03 3.88 0.00 -0.53 -4.68 105.19 107.22 1itw n GLY 421 Ca -0.02 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.91 0.52 -0.13 1.61 3.41 -0.73 -4.47 113.62 112.92 1itw n SER 422 Ca 0.16 0.10 -0.04 0.00 -0.26 0.00 0.00 58.87 58.82 1itw n SER 422 Cb 0.67 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.25 0.00 7.33 3.86 -1.84 -0.38 115.15 123.88 1itw h HIS 423 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1itw h HIS 423 Cb 0.62 0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1itw h HIS 423 CO 0.00 -0.19 0.00 -0.40 0.86 0.00 0.00 177.93 178.20 1itw n ASP 424 N -5.33 0.00 -0.29 2.45 5.68 -1.26 -2.50 116.55 115.30 1itw n ASP 424 Ca 0.03 -1.54 0.07 0.00 -0.50 0.00 0.00 54.79 52.84 1itw n ASP 424 Cb 0.24 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.32 1itw n ASP 424 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1itw n LYS 425 N -0.65 0.90 -4.50 0.11 5.02 -0.19 -5.01 118.16 113.83 1itw n LYS 425 Ca 0.07 -2.18 -0.33 0.00 -2.02 0.00 0.00 58.31 53.85 1itw n LYS 425 Cb 0.03 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.99 3.16 -0.01 -0.18 2.01 -0.95 -2.20 115.64 115.48 1itw s THR 426 Ca 0.24 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1itw s THR 426 Cb 0.21 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1itw s THR 426 CO 0.01 0.50 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.05 1itw s PHE 427 N 0.66 0.30 -0.24 4.92 0.40 0.40 -4.99 117.98 119.43 1itw s PHE 427 Ca -0.06 -0.05 -0.24 0.00 -0.60 0.00 0.00 56.93 55.99 1itw s PHE 427 Cb -0.15 -0.22 -0.01 0.00 0.51 0.00 0.00 43.02 43.15 1itw s PHE 427 CO 0.02 -0.02 0.79 -1.14 0.70 0.00 0.00 175.22 175.57 1itw s GLN 428 N 0.08 4.18 0.09 0.44 0.74 -1.26 -1.23 119.66 122.70 1itw s GLN 428 Ca -0.00 0.87 -0.31 0.00 0.05 0.00 0.00 55.36 55.96 1itw s GLN 428 Cb -0.03 -3.64 -0.09 0.00 1.10 0.00 0.00 33.01 30.35 1itw s GLN 428 CO -0.00 -0.48 1.79 0.42 -0.55 0.00 0.00 175.29 176.46 1itw s ILE 429 N 2.71 2.79 0.22 -2.34 -1.09 0.63 -4.85 121.20 119.26 1itw s ILE 429 Ca 0.33 0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.92 1itw s ILE 429 Cb -0.15 -3.13 0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1itw s ILE 429 CO 0.08 -0.00 1.64 -0.65 -1.23 0.00 0.00 174.94 174.77 1itw h PRO 430 N 8.80 0.73 -3.31 2.79 0.11 -1.90 0.18 132.00 139.41 1itw h PRO 430 Ca -0.45 -0.30 -0.03 0.00 0.11 0.00 0.00 66.00 65.34 1itw h PRO 430 Cb 1.21 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 1itw h PRO 430 CO 0.94 0.90 0.02 0.00 -0.21 0.00 0.00 178.00 179.65 1itw s ALA 431 N -4.58 -0.96 0.57 -0.75 0.00 -1.26 -4.77 121.76 110.01 1itw s ALA 431 Ca -0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 1itw s ALA 431 Cb 0.13 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 1itw s ALA 431 CO 0.83 -0.77 1.34 -0.51 0.00 0.00 0.00 175.76 176.64 1itw s ASP 432 N -2.86 5.13 0.00 0.00 1.01 -1.26 -4.10 116.67 114.59 1itw s ASP 432 Ca 0.08 2.72 0.00 0.00 0.71 0.00 0.00 52.55 56.05 1itw s ASP 432 Cb -0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1itw s ASP 432 CO -0.05 -1.66 0.00 0.61 0.21 0.00 0.00 175.17 174.28 1itw n GLY 433 N 0.75 -0.54 2.94 0.21 0.00 -0.42 -1.91 105.19 106.21 1itw n GLY 433 Ca 0.12 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1itw n GLY 433 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1itw s VAL 434 N -4.00 -0.02 -0.17 1.61 -7.23 -0.72 -0.78 120.40 109.10 1itw s VAL 434 Ca 0.00 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 1itw s VAL 434 Cb 0.00 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.74 1itw s VAL 434 CO 0.00 0.03 0.23 -0.69 -0.31 0.00 0.00 175.10 174.36 1itw s VAL 435 N 0.41 5.34 -0.04 1.32 1.01 0.10 -1.00 120.40 127.55 1itw s VAL 435 Ca -0.03 0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.43 1itw s VAL 435 Cb -0.04 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1itw s VAL 435 CO -0.02 0.42 -0.22 -0.13 0.00 0.00 0.00 175.10 175.15 1itw s ARG 436 N 0.33 2.06 -0.23 2.72 0.52 -0.35 -1.18 118.95 122.82 1itw s ARG 436 Ca 0.14 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1itw s ARG 436 Cb -0.12 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.50 1itw s ARG 436 CO 0.02 0.41 -0.08 0.08 0.02 0.00 0.00 175.30 175.76 1itw s VAL 437 N -0.31 2.87 0.07 3.52 1.01 0.02 -1.94 120.40 125.65 1itw s VAL 437 Ca 0.02 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1itw s VAL 437 Cb -0.11 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1itw s VAL 437 CO 0.01 0.29 -0.20 0.42 0.00 0.00 0.00 175.10 175.62 1itw s THR 438 N 1.35 1.61 0.78 3.92 -4.23 -0.61 -0.74 115.64 117.72 1itw s THR 438 Ca 0.02 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1itw s THR 438 Cb -0.16 -1.44 0.15 0.00 1.34 0.00 0.00 72.50 72.39 1itw s THR 438 CO -0.05 0.03 1.07 1.51 -0.54 0.00 0.00 174.62 176.64 1itw s ASP 439 N -1.57 4.03 0.45 3.99 3.84 -0.85 0.28 116.67 126.84 1itw s ASP 439 Ca 0.06 -0.29 0.20 0.00 -0.00 0.00 0.00 52.55 52.52 1itw s ASP 439 Cb -0.09 0.02 1.17 0.00 -1.38 0.00 0.00 42.92 42.63 1itw s ASP 439 CO 0.03 -2.09 1.90 -0.33 -0.00 0.00 0.00 175.17 174.68 1itw h GLU 440 N -0.78 0.29 0.00 2.11 5.08 -1.78 0.21 114.58 119.71 1itw h GLU 440 Ca -0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1itw h GLU 440 Cb 1.26 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1itw h GLU 440 CO 0.38 0.19 0.00 -1.13 -1.00 0.00 0.00 179.01 177.46 1itw n SER 441 N -4.45 0.00 0.00 1.42 3.41 -1.26 -4.88 113.62 107.86 1itw n SER 441 Ca 0.16 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1itw n SER 441 Cb 0.66 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.07 0.74 3.74 5.00 0.00 0.73 -5.04 105.19 111.42 1itw n GLY 442 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.47 4.56 -0.38 1.61 2.20 -1.26 -4.77 119.74 121.22 1itw s LYS 443 Ca 0.00 1.75 -0.28 0.00 -0.36 0.00 0.00 55.97 57.08 1itw s LYS 443 Cb 0.00 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1itw s LYS 443 CO 0.00 0.01 1.06 -1.17 -0.36 0.00 0.00 175.35 174.89 1itw s LEU 444 N -0.22 3.85 -0.22 5.43 2.96 -1.26 -2.00 118.68 127.22 1itw s LEU 444 Ca 0.51 0.74 -0.10 0.00 -0.22 0.00 0.00 54.13 55.06 1itw s LEU 444 Cb -0.30 -3.48 -0.18 0.00 0.50 0.00 0.00 46.19 42.73 1itw s LEU 444 CO 0.35 -1.00 -0.03 0.18 -1.32 0.00 0.00 176.35 174.53 1itw n LEU 445 N 7.17 2.37 -3.95 -0.68 4.77 0.08 -4.98 117.00 121.78 1itw n LEU 445 Ca 0.11 0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 56.12 1itw n LEU 445 Cb 0.48 -0.95 -0.15 0.00 -2.33 0.00 0.00 43.42 40.47 1itw n LEU 445 CO 0.63 0.67 -0.41 -0.76 -1.33 0.00 0.00 177.39 176.20 1itw s LEU 446 N -7.22 1.88 -0.03 2.23 1.43 -1.10 -4.79 118.68 111.09 1itw s LEU 446 Ca -0.32 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1itw s LEU 446 Cb 0.09 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 46.02 1itw s LEU 446 CO 0.61 0.05 0.00 -0.70 0.23 0.00 0.00 176.35 176.54 1itw s GLU 447 N 0.05 0.26 -0.07 1.70 2.12 -1.26 -0.80 118.70 120.71 1itw s GLU 447 Ca -0.00 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.37 1itw s GLU 447 Cb -0.04 -0.43 0.04 0.00 0.26 0.00 0.00 34.13 33.96 1itw s GLU 447 CO -0.00 -0.12 0.13 -1.14 -0.54 0.00 0.00 175.26 173.58 1itw s GLN 448 N 0.92 0.02 0.31 4.30 2.00 -0.33 -4.98 119.66 121.90 1itw s GLN 448 Ca -0.09 0.45 -0.28 0.00 -2.00 0.00 0.00 55.36 53.44 1itw s GLN 448 Cb -0.12 -0.30 -0.10 0.00 0.80 0.00 0.00 33.01 33.29 1itw s GLN 448 CO -0.02 -0.27 1.14 -1.54 -0.50 0.00 0.00 175.29 174.11 1itw s SER 449 N 1.91 7.06 0.09 6.67 1.04 -1.26 0.00 113.70 129.22 1itw s SER 449 Ca -0.00 2.34 -0.02 0.00 0.48 0.00 0.00 55.95 58.75 1itw s SER 449 Cb -0.12 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 1itw s SER 449 CO -0.05 -0.29 0.03 0.68 0.98 0.00 0.00 173.24 174.59 1itw s VAL 450 N -1.22 0.16 0.17 5.02 -7.23 0.04 -4.89 120.40 112.45 1itw s VAL 450 Ca 0.48 -1.81 0.09 0.00 -1.81 0.00 0.00 61.98 58.93 1itw s VAL 450 Cb -0.33 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1itw s VAL 450 CO 0.42 -0.71 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.69 1itw s GLU 451 N -3.98 1.33 0.24 4.82 2.02 -1.26 -1.30 118.70 120.56 1itw s GLU 451 Ca 0.15 -1.43 -0.31 0.00 0.02 0.00 0.00 54.97 53.40 1itw s GLU 451 Cb 0.07 -1.46 -0.13 0.00 0.10 0.00 0.00 34.13 32.71 1itw s GLU 451 CO -0.04 0.30 1.45 0.00 0.02 0.00 0.00 175.26 176.99 1itw n ALA 452 N 0.32 1.34 0.00 5.21 0.00 -1.26 -1.63 120.51 124.48 1itw n ALA 452 Ca -0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1itw n ALA 452 Cb 0.57 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 2.30 3.02 3.74 0.00 0.00 0.64 -4.88 105.19 110.00 1itw n GLY 453 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.18 4.17 -0.35 1.61 -0.00 -0.65 -4.57 116.67 115.71 1itw s ASP 454 Ca 0.00 2.06 -0.07 0.00 -0.00 0.00 0.00 52.55 54.54 1itw s ASP 454 Cb 0.00 -2.55 0.04 0.00 -0.00 0.00 0.00 42.92 40.41 1itw s ASP 454 CO 0.00 -2.26 0.13 -0.63 -0.00 0.00 0.00 175.17 172.40 1itw s ILE 455 N -2.53 3.89 -0.10 0.77 1.01 -0.65 -0.27 121.20 123.31 1itw s ILE 455 Ca 0.66 -1.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1itw s ILE 455 Cb -0.22 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1itw s ILE 455 CO 0.51 -0.22 0.03 0.86 0.00 0.00 0.00 174.94 176.13 1itw s TRP 456 N 1.41 3.26 0.05 3.97 -0.00 -0.37 -0.43 118.94 126.83 1itw s TRP 456 Ca -0.01 0.25 -0.05 0.00 -0.00 0.00 0.00 56.10 56.30 1itw s TRP 456 Cb -0.20 -1.84 -0.02 0.00 -0.00 0.00 0.00 33.47 31.42 1itw s TRP 456 CO 0.03 0.50 0.07 -0.98 -0.00 0.00 0.00 176.95 176.58 1itw s ARG 457 N -0.83 0.63 -0.01 5.86 1.70 -0.57 -0.45 118.95 125.28 1itw s ARG 457 Ca 0.13 -0.92 0.04 0.00 -0.47 0.00 0.00 55.73 54.50 1itw s ARG 457 Cb -0.12 0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 1itw s ARG 457 CO 0.03 -0.16 -0.12 1.41 -1.08 0.00 0.00 175.30 175.38 1itw s MET 458 N -3.18 1.02 0.22 3.89 1.75 -0.94 -1.89 119.30 120.16 1itw s MET 458 Ca -0.00 -0.42 0.11 0.00 -1.25 0.00 0.00 55.69 54.13 1itw s MET 458 Cb 0.02 -0.97 -0.05 0.00 2.84 0.00 0.00 34.83 36.68 1itw s MET 458 CO -0.07 0.24 -0.22 0.00 -0.65 0.00 0.00 175.02 174.31 1itw s GLN 460 N -2.92 0.96 -0.19 0.00 -0.21 -1.26 -1.69 119.66 114.35 1itw s GLN 460 Ca 0.24 -0.71 -0.04 0.00 0.02 0.00 0.00 55.36 54.87 1itw s GLN 460 Cb -0.07 -0.96 0.09 0.00 1.00 0.00 0.00 33.01 33.07 1itw s GLN 460 CO 0.11 0.24 0.27 0.00 -2.12 0.00 0.00 175.29 173.80 1itw s ALA 461 N -0.76 -0.55 0.45 6.09 0.00 -0.36 -0.13 121.76 126.49 1itw s ALA 461 Ca 0.02 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 1itw s ALA 461 Cb -0.07 -1.30 -0.07 0.00 0.00 0.00 0.00 23.12 21.68 1itw s ALA 461 CO 0.01 -1.03 0.86 0.15 0.00 0.00 0.00 175.76 175.75 1itw s LYS 462 N 2.41 3.85 0.11 0.00 1.02 -1.26 -1.02 119.74 124.85 1itw s LYS 462 Ca 0.06 0.67 -0.15 0.00 0.02 0.00 0.00 55.97 56.57 1itw s LYS 462 Cb -0.14 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1itw s LYS 462 CO -0.12 -0.13 1.54 0.22 -0.92 0.00 0.00 175.35 175.95 1itw h ASP 463 N 1.14 0.65 -0.39 2.83 1.82 -1.86 -2.90 116.42 117.71 1itw h ASP 463 Ca -0.47 -0.33 0.03 0.00 -0.39 0.00 0.00 57.03 55.87 1itw h ASP 463 Cb 1.19 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.99 1itw h ASP 463 CO 0.63 0.82 0.19 0.00 -1.61 0.00 0.00 179.24 179.26 1itw h ALA 464 N 0.85 0.48 -0.88 -0.78 0.00 -1.94 -0.41 119.26 116.58 1itw h ALA 464 Ca 0.10 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1itw h ALA 464 Cb 0.50 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1itw h ALA 464 CO 0.02 -0.18 0.56 -1.35 0.00 0.00 0.00 179.25 178.30 1itw h PRO 465 N 0.38 1.02 -0.53 0.00 0.11 -1.89 -1.10 132.00 129.99 1itw h PRO 465 Ca 0.17 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 1itw h PRO 465 Cb 0.08 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 1itw h PRO 465 CO -0.12 0.67 0.17 0.82 -0.21 0.00 0.00 178.00 179.32 1itw h ILE 466 N 1.05 1.23 -0.74 4.15 2.04 -1.17 0.71 117.51 124.77 1itw h ILE 466 Ca 0.37 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1itw h ILE 466 Cb 0.09 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1itw h ILE 466 CO -0.15 0.29 0.24 1.56 0.00 0.00 0.00 178.15 180.09 1itw h GLN 467 N 0.73 1.15 -0.62 2.37 4.20 -0.66 -0.69 115.11 121.59 1itw h GLN 467 Ca 0.17 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1itw h GLN 467 Cb 0.28 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1itw h GLN 467 CO -0.01 0.97 0.05 0.22 -0.67 0.00 0.00 178.83 179.39 1itw h ASP 468 N 1.10 1.01 -0.77 1.46 1.82 -0.92 -1.24 116.42 118.88 1itw h ASP 468 Ca 0.24 -0.26 -0.05 0.00 -0.39 0.00 0.00 57.03 56.57 1itw h ASP 468 Cb 0.30 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.00 1itw h ASP 468 CO -0.01 1.03 0.28 -0.25 -1.61 0.00 0.00 179.24 178.69 1itw h TRP 469 N 0.97 1.21 -0.26 0.28 7.01 -0.39 -0.27 115.95 124.50 1itw h TRP 469 Ca 0.18 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 1itw h TRP 469 Cb 0.49 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1itw h TRP 469 CO 0.03 0.93 -0.05 0.28 -2.79 0.00 0.00 178.44 176.84 1itw h VAL 470 N 1.14 1.28 -0.64 2.65 2.07 -0.83 -2.01 116.25 119.91 1itw h VAL 470 Ca 0.26 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.80 1itw h VAL 470 Cb 0.25 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1itw h VAL 470 CO -0.02 0.33 0.34 0.50 0.02 0.00 0.00 177.57 178.74 1itw h LYS 471 N 0.24 0.60 -0.71 1.57 3.64 -0.87 -1.47 116.57 119.57 1itw h LYS 471 Ca 0.07 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1itw h LYS 471 Cb 0.51 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1itw h LYS 471 CO 0.02 0.39 0.18 1.25 -2.27 0.00 0.00 179.45 179.03 1itw h LEU 472 N 0.61 1.06 -0.48 5.20 5.85 -0.93 -0.50 115.31 126.13 1itw h LEU 472 Ca 0.29 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1itw h LEU 472 Cb 0.22 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1itw h LEU 472 CO -0.20 1.01 0.18 0.00 -0.34 0.00 0.00 178.44 179.08 1itw h ALA 473 N 1.13 0.62 -0.48 1.25 0.00 -0.70 -0.14 119.26 120.93 1itw h ALA 473 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1itw h ALA 473 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1itw h ALA 473 CO -0.00 0.25 -0.05 0.28 0.00 0.00 0.00 179.25 179.73 1itw h VAL 474 N 0.63 1.25 -0.09 0.00 2.07 -1.09 -0.57 116.25 118.45 1itw h VAL 474 Ca 0.16 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1itw h VAL 474 Cb 0.22 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1itw h VAL 474 CO -0.01 0.39 0.06 -1.13 0.02 0.00 0.00 177.57 176.89 1itw h ASN 475 N 0.77 0.10 -0.58 0.57 -0.73 -0.65 -0.98 115.58 114.08 1itw h ASN 475 Ca 0.14 -0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.19 1itw h ASN 475 Cb 0.53 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1itw h ASN 475 CO 0.03 0.09 -0.01 0.03 -0.37 0.00 0.00 177.43 177.20 1itw h ARG 476 N 0.10 1.02 -0.08 6.67 2.47 -0.83 -1.27 114.38 122.46 1itw h ARG 476 Ca 0.03 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1itw h ARG 476 Cb 0.01 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 1itw h ARG 476 CO -0.01 1.02 0.04 0.00 0.56 0.00 0.00 179.97 181.59 1itw h ALA 477 N 0.97 0.10 -0.26 0.04 0.00 -0.93 -2.01 119.26 117.18 1itw h ALA 477 Ca 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1itw h ALA 477 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1itw h ALA 477 CO 0.03 -0.42 0.02 -0.09 0.00 0.00 0.00 179.25 178.79 1itw h ARG 478 N 0.10 0.44 -0.39 0.00 2.43 -1.11 0.33 114.38 116.17 1itw h ARG 478 Ca 0.03 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1itw h ARG 478 Cb -0.00 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1itw h ARG 478 CO -0.02 0.59 0.26 0.00 -1.51 0.00 0.00 179.97 179.29 1itw h ALA 479 N 0.83 1.74 -0.01 2.80 0.00 -1.13 -2.85 119.26 120.64 1itw h ALA 479 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1itw h ALA 479 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1itw h ALA 479 CO 0.01 0.23 -0.06 0.25 0.00 0.00 0.00 179.25 179.68 1itw n THR 480 N -4.48 0.00 -4.14 0.00 -2.24 -0.76 -4.98 114.28 97.67 1itw n THR 480 Ca 0.03 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 1itw n THR 480 Cb 0.08 1.24 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 1itw n THR 480 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1itw n ASN 481 N 0.49 -0.40 -4.30 3.42 5.15 0.11 -4.95 115.26 114.79 1itw n ASN 481 Ca 0.07 -1.11 -0.30 0.00 -0.60 0.00 0.00 54.58 52.64 1itw n ASN 481 Cb 0.30 -2.46 -0.16 0.00 -0.53 0.00 0.00 39.78 36.94 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 -3.97 1.99 0.48 -0.44 2.01 -1.08 -5.05 115.64 109.58 1itw s THR 482 Ca 0.15 -1.10 -0.24 0.00 0.31 0.00 0.00 61.69 60.81 1itw s THR 482 Cb -0.08 -1.65 -0.08 0.00 0.01 0.00 0.00 72.50 70.70 1itw s THR 482 CO 0.94 0.54 1.33 -2.65 -0.69 0.00 0.00 174.62 174.09 1itw n PRO 483 N 2.40 1.91 -5.08 4.92 -0.02 -1.26 -4.65 135.00 133.22 1itw n PRO 483 Ca -0.16 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 1itw n PRO 483 Cb 0.51 -2.51 -0.16 0.00 -0.02 0.00 0.00 33.50 31.32 1itw n PRO 483 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1itw s ALA 484 N -1.24 1.90 -0.14 3.55 0.00 0.59 -1.03 121.76 125.40 1itw s ALA 484 Ca 0.65 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1itw s ALA 484 Cb -0.46 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.05 1itw s ALA 484 CO 0.55 0.34 -0.19 0.08 0.00 0.00 0.00 175.76 176.53 1itw s VAL 485 N 0.01 1.86 -0.15 0.00 1.01 -0.09 -1.62 120.40 121.43 1itw s VAL 485 Ca -0.06 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1itw s VAL 485 Cb -0.14 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1itw s VAL 485 CO 0.04 0.51 0.75 -0.36 0.00 0.00 0.00 175.10 176.04 1itw s PHE 486 N 0.99 3.45 -0.89 5.22 0.40 0.32 -0.56 117.98 126.91 1itw s PHE 486 Ca -0.04 1.18 -0.18 0.00 -0.60 0.00 0.00 56.93 57.29 1itw s PHE 486 Cb -0.15 -2.91 0.14 0.00 0.51 0.00 0.00 43.02 40.62 1itw s PHE 486 CO -0.04 -0.14 1.04 -1.58 0.70 0.00 0.00 175.22 175.20 1itw s TRP 487 N 1.72 3.22 -0.03 0.36 0.52 -0.38 -1.01 118.94 123.34 1itw s TRP 487 Ca 0.36 -1.47 0.01 0.00 0.02 0.00 0.00 56.10 55.02 1itw s TRP 487 Cb -0.17 -4.19 0.02 0.00 -1.15 0.00 0.00 33.47 27.98 1itw s TRP 487 CO 0.14 -1.39 -0.04 -0.51 0.02 0.00 0.00 176.95 175.16 1itw s LEU 488 N 2.25 1.45 -0.39 2.99 1.43 0.67 -4.68 118.68 122.39 1itw s LEU 488 Ca 0.29 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.10 1itw s LEU 488 Cb -0.07 -0.38 0.01 0.00 0.03 0.00 0.00 46.19 45.79 1itw s LEU 488 CO -0.08 -0.03 0.53 -0.62 0.23 0.00 0.00 176.35 176.37 1itw s ASP 489 N 0.69 6.28 0.60 2.29 3.68 -1.26 -3.26 116.67 125.69 1itw s ASP 489 Ca -0.09 -0.30 0.30 0.00 2.13 0.00 0.00 52.55 54.59 1itw s ASP 489 Cb -0.12 -2.27 1.69 0.00 -1.45 0.00 0.00 42.92 40.77 1itw s ASP 489 CO -0.00 -0.59 2.08 -0.65 0.13 0.00 0.00 175.17 176.14 1itw h PRO 490 N 8.66 0.00 0.00 4.34 0.11 -1.94 -0.81 132.00 142.35 1itw h PRO 490 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 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 0.81 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 178.28 1itw h ALA 491 N 1.71 0.95 -2.62 -0.75 0.00 -1.98 -3.42 119.26 113.16 1itw h ALA 491 Ca 0.09 -0.29 -0.55 0.00 0.00 0.00 0.00 54.91 54.15 1itw h ALA 491 Cb 0.54 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1itw h ALA 491 CO -0.00 0.40 0.16 1.03 0.00 0.00 0.00 179.25 180.84 1itw s ARG 492 N -3.51 4.47 0.38 0.00 0.52 -0.31 -4.94 118.95 115.56 1itw s ARG 492 Ca 0.01 1.02 0.05 0.00 -0.52 0.00 0.00 55.73 56.29 1itw s ARG 492 Cb 0.10 -3.45 0.74 0.00 0.52 0.00 0.00 34.95 32.86 1itw s ARG 492 CO 0.67 0.05 2.03 0.00 0.02 0.00 0.00 175.30 178.06 1itw h ALA 493 N 6.72 1.63 0.15 2.13 0.00 -1.84 0.37 119.26 128.42 1itw h ALA 493 Ca -0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1itw h ALA 493 Cb 1.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1itw h ALA 493 CO 0.75 0.34 -0.07 1.25 0.00 0.00 0.00 179.25 181.52 1itw h HIS 494 N 0.73 -0.19 -0.91 0.00 -0.00 -1.90 -2.86 115.15 110.02 1itw h HIS 494 Ca 0.21 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.60 1itw h HIS 494 Cb -0.06 0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 1itw h HIS 494 CO -0.00 0.19 0.60 -0.44 -0.00 0.00 0.00 177.93 178.28 1itw h ASP 495 N -0.60 1.00 -0.69 3.26 5.19 -1.70 -1.92 116.42 120.97 1itw h ASP 495 Ca -0.02 -0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1itw h ASP 495 Cb 0.45 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.68 1itw h ASP 495 CO 0.03 0.70 0.42 0.00 -3.12 0.00 0.00 179.24 177.27 1itw h ALA 496 N 1.46 0.91 -0.63 3.45 0.00 -0.93 0.34 119.26 123.86 1itw h ALA 496 Ca 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1itw h ALA 496 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1itw h ALA 496 CO -0.10 0.16 0.15 1.96 0.00 0.00 0.00 179.25 181.43 1itw h GLN 497 N 0.80 0.98 -0.23 0.00 1.08 -1.13 -1.77 115.11 114.84 1itw h GLN 497 Ca 0.28 -0.22 -0.15 0.00 -1.45 0.00 0.00 58.65 57.12 1itw h GLN 497 Cb 0.07 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1itw h GLN 497 CO -0.13 0.88 -0.46 0.28 -0.95 0.00 0.00 178.83 178.45 1itw h VAL 498 N 0.94 1.30 -0.64 -0.54 2.07 -0.58 -2.84 116.25 115.96 1itw h VAL 498 Ca 0.20 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1itw h VAL 498 Cb 0.34 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1itw h VAL 498 CO 0.00 0.52 0.41 0.40 0.02 0.00 0.00 177.57 178.93 1itw h ILE 499 N 0.48 1.17 -0.83 4.57 2.04 0.03 0.22 117.51 125.20 1itw h ILE 499 Ca 0.03 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1itw h ILE 499 Cb 0.99 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1itw h ILE 499 CO 0.09 0.17 0.51 0.00 0.00 0.00 0.00 178.15 178.92 1itw h ALA 500 N 1.22 1.12 -0.18 1.87 0.00 -1.17 -0.57 119.26 121.56 1itw h ALA 500 Ca 0.23 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1itw h ALA 500 Cb -0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1itw h ALA 500 CO -0.05 0.27 -0.20 0.87 0.00 0.00 0.00 179.25 180.14 1itw h LYS 501 N 0.95 0.46 -0.29 0.00 1.57 -1.13 -2.92 116.57 115.22 1itw h LYS 501 Ca 0.35 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1itw h LYS 501 Cb 0.13 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1itw h LYS 501 CO -0.16 0.83 0.15 0.28 -0.57 0.00 0.00 179.45 179.98 1itw h VAL 502 N 0.12 1.00 -0.97 0.50 2.07 -0.60 0.65 116.25 119.02 1itw h VAL 502 Ca 0.03 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1itw h VAL 502 Cb 0.75 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1itw h VAL 502 CO 0.05 0.06 0.62 -0.33 0.02 0.00 0.00 177.57 177.99 1itw h GLU 503 N 0.31 1.10 -0.05 1.57 5.08 -1.16 -0.34 114.58 121.08 1itw h GLU 503 Ca 0.12 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1itw h GLU 503 Cb 0.03 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1itw h GLU 503 CO -0.08 0.73 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.45 1itw h ARG 504 N 1.13 0.16 0.00 2.33 2.43 -1.21 -3.30 114.38 115.92 1itw h ARG 504 Ca 0.42 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.40 1itw h ARG 504 Cb 0.18 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1itw h ARG 504 CO -0.18 0.71 -0.38 1.88 -1.51 0.00 0.00 179.97 180.50 1itw h TYR 505 N -0.37 0.00 0.00 2.20 0.99 -0.71 -2.36 116.97 116.72 1itw h TYR 505 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1itw h TYR 505 Cb 0.72 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.45 1itw h TYR 505 CO 0.12 0.38 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.58 1itw h LEU 506 N 0.00 0.00 0.00 3.88 3.38 -1.14 0.20 115.31 121.64 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 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1itw h LEU 506 CO 0.05 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.88 1itw n LYS 507 N -3.17 0.10 -0.00 1.13 5.02 -0.89 -2.86 118.16 117.48 1itw n LYS 507 Ca -0.02 0.08 0.15 0.00 -2.02 0.00 0.00 58.31 56.49 1itw n LYS 507 Cb 0.13 -1.50 0.73 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.44 0.76 -4.23 4.39 8.00 0.06 -4.87 116.55 119.23 1itw n ASP 508 Ca 0.07 -1.26 -0.16 0.00 0.71 0.00 0.00 54.79 54.16 1itw n ASP 508 Cb 0.26 -0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.25 1itw n ASP 508 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1itw s TYR 509 N -2.00 1.27 -0.59 1.24 1.51 -1.14 -5.09 117.35 112.55 1itw s TYR 509 Ca 0.43 -0.66 -0.24 0.00 -1.01 0.00 0.00 57.07 55.59 1itw s TYR 509 Cb 0.21 -0.66 0.05 0.00 -0.11 0.00 0.00 41.96 41.45 1itw s TYR 509 CO 0.35 0.09 0.97 0.34 -1.11 0.00 0.00 175.55 176.19 1itw s ASP 510 N -2.75 6.29 -0.04 2.29 2.15 -1.26 -4.82 116.67 118.52 1itw s ASP 510 Ca 0.11 -0.52 0.18 0.00 0.43 0.00 0.00 52.55 52.76 1itw s ASP 510 Cb -0.01 -2.44 0.59 0.00 -0.30 0.00 0.00 42.92 40.75 1itw s ASP 510 CO 0.01 -1.32 1.50 0.35 -0.17 0.00 0.00 175.17 175.54 1itw n THR 511 N 6.14 1.30 -0.04 1.71 -2.24 -1.26 -4.81 114.28 115.08 1itw n THR 511 Ca 0.00 -1.10 -0.01 0.00 -2.27 0.00 0.00 64.05 60.67 1itw n THR 511 Cb 0.47 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 1itw n THR 511 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1itw n SER 512 N 1.13 -0.09 -1.49 3.42 3.41 -1.26 0.21 113.62 118.95 1itw n SER 512 Ca 0.22 0.37 0.06 0.00 -0.26 0.00 0.00 58.87 59.25 1itw n SER 512 Cb 0.67 -0.13 0.30 0.00 -0.26 0.00 0.00 64.21 64.79 1itw n SER 512 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1itw n GLY 513 N -1.02 2.49 3.96 5.00 0.00 -1.26 -4.95 105.19 109.42 1itw n GLY 513 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.94 4.16 -0.49 0.99 1.43 0.13 -5.07 118.68 117.89 1itw s LEU 514 Ca 0.41 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1itw s LEU 514 Cb 0.30 -3.01 0.13 0.00 0.03 0.00 0.00 46.19 43.64 1itw s LEU 514 CO 0.14 -0.20 0.24 -0.62 0.23 0.00 0.00 176.35 176.13 1itw s ASP 515 N -4.02 4.55 -0.07 2.29 -1.08 -1.26 -5.05 116.67 112.03 1itw s ASP 515 Ca 0.37 -2.79 0.05 0.00 -0.52 0.00 0.00 52.55 49.67 1itw s ASP 515 Cb -0.09 -1.67 -0.01 0.00 -1.46 0.00 0.00 42.92 39.69 1itw s ASP 515 CO 0.32 -0.29 -0.24 -0.63 0.52 0.00 0.00 175.17 174.85 1itw s ILE 516 N 0.03 2.03 0.12 4.11 1.01 -1.26 -0.30 121.20 126.95 1itw s ILE 516 Ca 0.15 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1itw s ILE 516 Cb -0.24 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1itw s ILE 516 CO -0.02 0.56 0.19 0.00 0.00 0.00 0.00 174.94 175.67 1itw s ARG 517 N -0.01 0.97 -0.17 2.79 1.70 -0.64 -4.99 118.95 118.60 1itw s ARG 517 Ca -0.08 -1.15 -0.00 0.00 -0.47 0.00 0.00 55.73 54.03 1itw s ARG 517 Cb -0.15 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.56 1itw s ARG 517 CO 0.05 -0.32 -0.15 0.42 -1.08 0.00 0.00 175.30 174.22 1itw s ILE 518 N -3.94 2.58 0.10 4.99 1.01 -1.26 -0.53 121.20 124.16 1itw s ILE 518 Ca 0.13 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1itw s ILE 518 Cb 0.05 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1itw s ILE 518 CO -0.04 0.51 -0.08 -0.76 0.00 0.00 0.00 174.94 174.57 1itw s LEU 519 N 1.05 2.48 0.69 2.97 1.43 -0.18 -4.95 118.68 122.17 1itw s LEU 519 Ca -0.01 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.00 1itw s LEU 519 Cb -0.15 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 45.94 1itw s LEU 519 CO -0.04 -0.40 1.11 -0.94 0.23 0.00 0.00 176.35 176.31 1itw s SER 520 N -2.88 4.92 0.26 2.29 1.04 -1.20 -0.24 113.70 117.90 1itw s SER 520 Ca 0.10 1.99 -0.01 0.00 0.48 0.00 0.00 55.95 58.51 1itw s SER 520 Cb 0.03 -2.55 0.56 0.00 0.10 0.00 0.00 66.02 64.16 1itw s SER 520 CO -0.03 -1.76 1.73 -0.65 0.98 0.00 0.00 173.24 173.51 1itw h PRO 521 N -0.21 0.47 -0.24 4.02 0.11 -1.83 0.41 132.00 134.72 1itw h PRO 521 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1itw h PRO 521 Cb 1.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1itw h PRO 521 CO 0.53 0.31 0.09 0.28 -0.21 0.00 0.00 178.00 179.00 1itw h VAL 522 N 0.48 1.18 -0.35 3.15 2.07 -1.91 -0.52 116.25 120.35 1itw h VAL 522 Ca 0.47 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1itw h VAL 522 Cb 0.76 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1itw h VAL 522 CO -0.43 0.18 0.05 -0.33 0.02 0.00 0.00 177.57 177.06 1itw h GLU 523 N 0.23 0.59 -0.87 1.57 5.08 -1.65 -2.12 114.58 117.41 1itw h GLU 523 Ca 0.08 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1itw h GLU 523 Cb 0.20 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1itw h GLU 523 CO -0.01 0.66 0.58 0.00 -1.00 0.00 0.00 179.01 179.25 1itw h ALA 524 N 0.90 1.42 -0.27 3.43 0.00 -0.14 -0.50 119.26 124.10 1itw h ALA 524 Ca 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1itw h ALA 524 Cb 0.37 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1itw h ALA 524 CO 0.01 0.51 0.05 1.15 0.00 0.00 0.00 179.25 180.97 1itw h THR 525 N 1.13 1.22 -0.46 0.00 2.02 -0.82 0.23 112.91 116.23 1itw h THR 525 Ca 0.34 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1itw h THR 525 Cb -0.04 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1itw h THR 525 CO -0.09 0.24 0.14 0.03 0.37 0.00 0.00 175.52 176.21 1itw h ARG 526 N 0.26 0.72 -0.59 6.66 3.08 -0.96 -0.06 114.38 123.48 1itw h ARG 526 Ca 0.08 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1itw h ARG 526 Cb 0.31 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1itw h ARG 526 CO 0.00 0.69 0.32 0.35 -1.07 0.00 0.00 179.97 180.27 1itw h PHE 527 N 0.62 0.82 -0.38 3.04 3.57 -1.03 -0.44 116.94 123.14 1itw h PHE 527 Ca 0.15 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.50 1itw h PHE 527 Cb 0.27 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1itw h PHE 527 CO 0.01 0.60 -0.29 0.77 -2.23 0.00 0.00 178.31 177.17 1itw h SER 528 N 0.80 0.84 -0.02 0.41 0.02 -0.75 -2.51 113.55 112.34 1itw h SER 528 Ca 0.21 -0.34 -0.17 0.00 -0.84 0.00 0.00 61.79 60.66 1itw h SER 528 Cb 0.05 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1itw h SER 528 CO -0.03 1.07 -0.55 -0.07 -1.14 0.00 0.00 176.83 176.11 1itw h LEU 529 N 0.69 0.68 -0.17 5.07 3.38 -0.78 0.24 115.31 124.42 1itw h LEU 529 Ca 0.08 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1itw h LEU 529 Cb 0.83 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1itw h LEU 529 CO 0.07 1.09 0.10 0.00 0.09 0.00 0.00 178.44 179.79 1itw h ALA 530 N 0.92 0.21 -0.63 1.53 0.00 -1.02 -1.57 119.26 118.71 1itw h ALA 530 Ca 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1itw h ALA 530 Cb 1.11 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1itw h ALA 530 CO 0.11 -0.28 0.18 0.00 0.00 0.00 0.00 179.25 179.26 1itw h ARG 531 N 0.19 1.00 -0.48 0.00 3.08 -1.36 -3.09 114.38 113.72 1itw h ARG 531 Ca 0.06 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 1itw h ARG 531 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1itw h ARG 531 CO -0.01 0.89 0.07 0.97 -1.07 0.00 0.00 179.97 180.82 1itw h ILE 532 N 0.92 1.22 0.00 2.04 2.10 -0.64 0.31 117.51 123.46 1itw h ILE 532 Ca 0.20 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 65.29 1itw h ILE 532 Cb 0.32 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 1itw h ILE 532 CO -0.00 0.31 0.00 0.03 -1.08 0.00 0.00 178.15 177.40 1itw h ARG 533 N 0.72 0.00 -0.56 2.19 3.08 -1.21 0.45 114.38 119.05 1itw h ARG 533 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1itw h ARG 533 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1itw h ARG 533 CO 0.01 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 178.06 1itw n GLU 534 N -3.02 2.42 -0.74 0.04 0.28 -0.96 -4.78 120.64 113.87 1itw n GLU 534 Ca 0.01 -2.19 0.00 0.00 -0.16 0.00 0.00 57.16 54.82 1itw n GLU 534 Cb 0.34 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.73 1itw n GLU 534 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1itw n GLY 535 N 1.48 0.57 3.81 -1.84 0.00 -0.95 -4.93 105.19 103.32 1itw n GLY 535 Ca 0.20 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.02 2.94 0.18 1.61 1.02 0.06 -4.39 119.74 120.13 1itw s LYS 536 Ca 0.00 -0.81 0.04 0.00 0.02 0.00 0.00 55.97 55.21 1itw s LYS 536 Cb 0.00 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1itw s LYS 536 CO 0.00 0.50 0.29 -0.51 -0.92 0.00 0.00 175.35 174.71 1itw s ASP 537 N -2.97 6.22 -0.15 2.83 1.01 -1.26 -3.38 116.67 118.96 1itw s ASP 537 Ca 0.31 0.10 -0.07 0.00 0.71 0.00 0.00 52.55 53.59 1itw s ASP 537 Cb -0.11 -1.83 0.06 0.00 1.01 0.00 0.00 42.92 42.06 1itw s ASP 537 CO 0.23 0.02 0.35 -0.89 0.21 0.00 0.00 175.17 175.09 1itw s THR 538 N -1.83 -0.22 -0.01 -1.27 2.01 -0.77 -4.49 115.64 109.07 1itw s THR 538 Ca 0.34 0.15 -0.27 0.00 0.31 0.00 0.00 61.69 62.23 1itw s THR 538 Cb -0.10 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 1itw s THR 538 CO 0.28 0.06 0.84 -0.63 -0.69 0.00 0.00 174.62 174.48 1itw s ILE 539 N 1.78 4.89 -0.22 1.82 1.01 -0.20 -3.61 121.20 126.68 1itw s ILE 539 Ca -0.06 1.76 -0.09 0.00 0.00 0.00 0.00 60.65 62.26 1itw s ILE 539 Cb -0.10 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1itw s ILE 539 CO -0.11 0.24 0.11 -0.94 0.00 0.00 0.00 174.94 174.24 1itw s SER 540 N 0.68 5.84 -0.32 3.58 1.04 -0.36 -0.91 113.70 123.25 1itw s SER 540 Ca 0.44 0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 1itw s SER 540 Cb -0.20 -2.03 0.05 0.00 0.10 0.00 0.00 66.02 63.94 1itw s SER 540 CO 0.24 0.10 0.05 -0.69 0.98 0.00 0.00 173.24 173.92 1itw s VAL 541 N 0.81 3.35 0.34 5.02 1.01 0.28 -1.02 120.40 130.18 1itw s VAL 541 Ca 0.06 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.77 1itw s VAL 541 Cb -0.13 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1itw s VAL 541 CO 0.02 -0.17 0.14 0.42 0.00 0.00 0.00 175.10 175.52 1itw s THR 542 N 1.31 0.50 0.71 3.92 -4.23 -0.54 -1.25 115.64 116.06 1itw s THR 542 Ca -0.03 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.36 1itw s THR 542 Cb -0.20 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.32 1itw s THR 542 CO 0.00 0.00 0.88 0.61 -0.54 0.00 0.00 174.62 175.58 1itw n GLY 543 N -0.71 -1.66 0.11 3.99 0.00 -1.26 -1.30 105.19 104.37 1itw n GLY 543 Ca -0.01 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.41 -0.22 -0.22 1.61 -0.73 -1.61 -1.36 115.58 111.63 1itw h ASN 544 Ca -0.29 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 57.88 1itw h ASN 544 Cb 0.83 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.54 1itw h ASN 544 CO 0.20 -0.09 -0.07 0.58 -0.37 0.00 0.00 177.43 177.69 1itw h VAL 545 N -0.04 1.29 -0.16 2.57 2.07 -1.91 -2.56 116.25 117.50 1itw h VAL 545 Ca 0.08 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1itw h VAL 545 Cb 0.16 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1itw h VAL 545 CO -0.18 0.34 0.03 -0.07 0.02 0.00 0.00 177.57 177.70 1itw h LEU 546 N 0.17 0.20 -0.11 2.57 3.38 -1.92 0.42 115.31 120.02 1itw h LEU 546 Ca 0.05 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1itw h LEU 546 Cb 0.54 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1itw h LEU 546 CO 0.03 0.23 0.02 -0.09 0.09 0.00 0.00 178.44 178.71 1itw h ARG 547 N 0.23 0.06 0.05 1.13 2.43 -1.02 0.26 114.38 117.51 1itw h ARG 547 Ca 0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1itw h ARG 547 Cb 0.12 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1itw h ARG 547 CO -0.00 0.04 -0.03 0.22 -1.51 0.00 0.00 179.97 178.68 1itw h ASP 548 N 0.06 -0.09 0.06 -3.80 -0.00 -0.81 -2.05 116.42 109.80 1itw h ASP 548 Ca 0.05 0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.08 1itw h ASP 548 Cb 0.05 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 1itw h ASP 548 CO -0.07 -0.06 -0.03 1.88 -0.00 0.00 0.00 179.24 180.96 1itw h TYR 549 N -0.09 -0.08 0.00 0.28 0.99 -0.66 -3.24 116.97 114.18 1itw h TYR 549 Ca -0.00 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 1itw h TYR 549 Cb 0.08 0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.82 1itw h TYR 549 CO -0.09 0.14 -0.31 -0.07 -0.00 0.00 0.00 178.16 177.83 1itw h LEU 550 N -0.28 0.00 -0.05 3.88 3.38 -0.52 -1.58 115.31 120.13 1itw h LEU 550 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1itw h LEU 550 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1itw h LEU 550 CO 0.01 0.31 -0.00 0.35 0.09 0.00 0.00 178.44 179.20 1itw n THR 551 N -3.94 0.00 -0.10 0.22 -2.24 -0.77 -2.45 114.28 105.00 1itw n THR 551 Ca -0.02 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 1itw n THR 551 Cb 0.38 -0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.02 1.69 0.11 3.42 2.03 -1.03 -4.46 116.55 117.28 1itw n ASP 552 Ca 0.21 0.15 -0.13 0.00 0.52 0.00 0.00 54.79 55.54 1itw n ASP 552 Cb 0.16 -0.50 -0.08 0.00 -0.72 0.00 0.00 41.12 39.98 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 -0.52 -1.26 -0.51 -2.67 5.85 -1.27 -1.40 115.31 113.53 1itw h LEU 553 Ca -0.47 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.28 1itw h LEU 553 Cb 1.49 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 42.96 1itw h LEU 553 CO -0.24 -0.46 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.07 1itw h PHE 554 N -0.63 1.05 -0.72 1.25 -1.00 -1.76 -2.41 116.94 112.72 1itw h PHE 554 Ca -0.01 -0.21 -0.03 0.00 2.81 0.00 0.00 57.97 60.53 1itw h PHE 554 Cb 0.62 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.88 1itw h PHE 554 CO -0.40 0.99 0.33 -1.35 -1.61 0.00 0.00 178.31 176.27 1itw h PRO 555 N 0.81 1.04 -0.51 1.51 0.11 -1.76 0.46 132.00 133.66 1itw h PRO 555 Ca 0.14 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1itw h PRO 555 Cb 0.62 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1itw h PRO 555 CO 0.04 0.81 0.32 0.82 -0.21 0.00 0.00 178.00 179.78 1itw h ILE 556 N 1.03 1.15 -0.27 4.15 1.08 -1.08 0.48 117.51 124.05 1itw h ILE 556 Ca 0.25 -0.32 -0.09 0.00 -0.39 0.00 0.00 64.86 64.32 1itw h ILE 556 Cb 0.13 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 1itw h ILE 556 CO -0.03 0.15 -0.16 0.24 -0.69 0.00 0.00 178.15 177.66 1itw h MET 557 N 0.68 0.59 -0.02 2.37 2.86 -1.08 0.22 114.93 120.56 1itw h MET 557 Ca 0.18 -0.27 -0.22 0.00 -2.06 0.00 0.00 59.70 57.33 1itw h MET 557 Cb -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1itw h MET 557 CO -0.04 0.85 -0.90 0.93 1.06 0.00 0.00 176.91 178.81 1itw h GLU 558 N 0.32 0.47 0.00 1.72 5.08 -0.76 -3.39 114.58 118.01 1itw h GLU 558 Ca 0.06 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1itw h GLU 558 Cb 0.69 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1itw h GLU 558 CO 0.05 1.12 0.00 1.28 -1.00 0.00 0.00 179.01 180.45 1itw n LEU 559 N -3.79 0.55 0.00 1.33 4.77 0.17 -4.80 117.00 115.23 1itw n LEU 559 Ca -0.07 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1itw n LEU 559 Cb 0.81 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1itw n LEU 559 CO 0.51 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1itw n GLY 560 N 0.20 0.34 3.53 -0.72 0.00 0.79 -4.88 105.19 104.45 1itw n GLY 560 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.81 0.00 -0.29 2.61 -1.32 -1.23 -4.89 115.64 108.71 1itw s THR 561 Ca 0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 1itw s THR 561 Cb 0.00 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.29 1itw s THR 561 CO 0.00 0.00 1.21 -1.54 -2.21 0.00 0.00 174.62 172.08 1itw n SER 562 N 0.59 2.83 -1.29 8.08 3.41 -1.26 -3.96 113.62 122.02 1itw n SER 562 Ca -0.15 -2.59 0.11 0.00 -0.26 0.00 0.00 58.87 55.98 1itw n SER 562 Cb 0.59 -0.32 0.31 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.55 2.36 -3.47 7.33 0.00 -1.26 -4.56 120.51 120.36 1itw n ALA 563 Ca 0.13 -1.28 -0.27 0.00 0.00 0.00 0.00 53.44 52.02 1itw n ALA 563 Cb 0.58 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 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 1.54 1.58 -3.83 0.00 5.02 -1.26 -4.29 118.16 116.93 1itw n LYS 564 Ca 0.23 -4.06 -0.06 0.00 -2.02 0.00 0.00 58.31 52.41 1itw n LYS 564 Cb 0.60 -1.92 0.01 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.56 1.70 -0.06 1.97 0.23 -1.26 -4.56 119.30 115.75 1itw s MET 565 Ca 0.34 -1.05 -0.16 0.00 -1.03 0.00 0.00 55.69 53.79 1itw s MET 565 Cb 0.09 0.50 -0.05 0.00 -1.53 0.00 0.00 34.83 33.84 1itw s MET 565 CO -0.10 -0.79 0.41 -0.51 -2.03 0.00 0.00 175.02 172.00 1itw s LEU 566 N -3.14 4.38 -0.46 0.18 1.43 0.86 -4.83 118.68 117.09 1itw s LEU 566 Ca 0.17 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1itw s LEU 566 Cb -0.04 -2.59 0.16 0.00 0.03 0.00 0.00 46.19 43.75 1itw s LEU 566 CO 0.07 0.18 0.33 -0.55 0.23 0.00 0.00 176.35 176.62 1itw s SER 567 N -0.29 2.64 -0.12 2.29 0.15 -1.24 -1.03 113.70 116.10 1itw s SER 567 Ca 0.23 -3.02 -0.16 0.00 0.70 0.00 0.00 55.95 53.70 1itw s SER 567 Cb -0.16 -0.75 -0.05 0.00 -1.71 0.00 0.00 66.02 63.36 1itw s SER 567 CO 0.11 -0.19 0.39 -0.63 1.20 0.00 0.00 173.24 174.12 1itw s ILE 568 N -0.04 5.21 -0.38 6.45 1.01 -0.37 -1.38 121.20 131.70 1itw s ILE 568 Ca 0.27 0.78 0.04 0.00 0.00 0.00 0.00 60.65 61.73 1itw s ILE 568 Cb -0.06 -3.73 0.11 0.00 0.01 0.00 0.00 42.46 38.79 1itw s ILE 568 CO -0.13 0.39 0.11 -0.69 0.00 0.00 0.00 174.94 174.62 1itw s VAL 569 N 0.28 2.21 -0.78 2.92 1.01 0.40 -1.26 120.40 125.18 1itw s VAL 569 Ca 0.22 -2.51 -0.25 0.00 0.00 0.00 0.00 61.98 59.43 1itw s VAL 569 Cb -0.14 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1itw s VAL 569 CO 0.08 -0.66 1.90 -2.84 0.00 0.00 0.00 175.10 173.57 1itw s PRO 570 N 0.65 2.61 0.23 2.72 0.02 -1.25 -1.68 135.00 138.31 1itw s PRO 570 Ca 0.13 0.06 -0.32 0.00 0.02 0.00 0.00 61.00 60.89 1itw s PRO 570 Cb -0.21 -4.78 -0.13 0.00 0.02 0.00 0.00 34.50 29.40 1itw s PRO 570 CO -0.07 -3.08 1.45 1.28 -0.33 0.00 0.00 177.00 176.25 1itw n LEU 571 N 13.34 3.18 0.26 -5.54 4.77 -0.54 -4.14 117.00 128.33 1itw n LEU 571 Ca 0.32 1.13 0.18 0.00 -0.03 0.00 0.00 56.01 57.60 1itw n LEU 571 Cb 0.49 -1.44 0.92 0.00 -2.33 0.00 0.00 43.42 41.06 1itw n LEU 571 CO 0.65 -0.41 1.03 0.24 -1.33 0.00 0.00 177.39 177.56 1itw h MET 572 N 4.53 0.00 -0.01 3.23 2.86 -1.61 0.05 114.93 123.99 1itw h MET 572 Ca -0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1itw h MET 572 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1itw h MET 572 CO 0.78 0.00 -0.03 0.43 1.06 0.00 0.00 176.91 179.15 1itw n SER 573 N -2.73 0.59 0.00 1.22 7.64 -1.26 -4.89 113.62 114.19 1itw n SER 573 Ca -0.02 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1itw n SER 573 Cb 0.08 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.14 2.04 0.74 0.23 0.00 0.00 -3.54 105.19 105.80 1itw n GLY 574 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.89 -0.76 3.00 -0.02 0.00 -1.18 -4.85 105.19 100.50 1itw n GLY 575 Ca 0.00 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.41 0.39 -0.10 -0.02 0.00 0.18 -1.46 107.32 102.90 1itw s GLY 576 Ca 0.14 -0.34 0.02 0.00 0.00 0.00 0.00 44.72 44.54 1itw s GLY 576 CO 0.10 -0.29 -0.16 -2.27 0.00 0.00 0.00 173.10 170.48 1itw s LEU 577 N -0.20 1.78 -0.28 0.66 2.96 -0.67 -1.06 118.68 121.86 1itw s LEU 577 Ca 0.03 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1itw s LEU 577 Cb -0.03 -1.11 0.08 0.00 0.50 0.00 0.00 46.19 45.63 1itw s LEU 577 CO -0.00 0.04 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.69 1itw s PHE 578 N 0.84 2.93 -0.21 5.38 0.40 0.19 -0.45 117.98 127.05 1itw s PHE 578 Ca -0.10 -2.25 -0.23 0.00 -0.60 0.00 0.00 56.93 53.75 1itw s PHE 578 Cb -0.15 -2.06 -0.02 0.00 0.51 0.00 0.00 43.02 41.30 1itw s PHE 578 CO 0.01 -0.86 0.75 -1.21 0.70 0.00 0.00 175.22 174.61 1itw s GLU 579 N 1.20 4.22 0.31 0.44 2.02 -0.48 -0.72 118.70 125.70 1itw s GLU 579 Ca -0.00 0.83 0.26 0.00 0.02 0.00 0.00 54.97 56.08 1itw s GLU 579 Cb -0.19 -3.60 0.82 0.00 0.10 0.00 0.00 34.13 31.26 1itw s GLU 579 CO -0.08 -0.36 1.75 1.79 0.02 0.00 0.00 175.26 178.38 1itw h THR 580 N 5.28 0.00 -2.25 3.63 1.35 -1.19 -3.30 112.91 116.43 1itw h THR 580 Ca -0.28 -0.53 0.01 0.00 -0.55 0.00 0.00 66.41 65.05 1itw h THR 580 Cb 1.12 1.47 -0.17 0.00 -1.73 0.00 0.00 68.15 68.84 1itw h THR 580 CO 0.82 0.00 0.31 -0.83 -0.25 0.00 0.00 175.52 175.57 1itw s GLY 581 N -3.78 -0.52 0.00 5.82 0.00 -1.26 -4.35 107.32 103.24 1itw s GLY 581 Ca 0.07 1.16 0.18 0.00 0.00 0.00 0.00 44.72 46.13 1itw s GLY 581 CO 0.56 0.64 0.91 0.00 0.00 0.00 0.00 173.10 175.21 1itw n ALA 582 N 0.32 3.24 -1.98 3.20 0.00 -1.26 -4.55 120.51 119.49 1itw n ALA 582 Ca -0.15 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1itw n ALA 582 Cb 0.60 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 1.20 1.88 2.28 0.00 0.00 -1.26 -5.12 105.19 104.18 1itw n GLY 583 Ca 0.07 -1.99 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 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 0.07 1.36 -0.02 0.00 -1.26 -4.54 105.19 105.80 1itw n GLY 584 Ca 0.00 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.12 3.99 -3.33 1.61 3.41 -1.26 -4.82 113.62 110.11 1itw n SER 585 Ca 0.10 -2.50 -0.30 0.00 -0.26 0.00 0.00 58.87 55.91 1itw n SER 585 Cb 0.35 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.59 -2.51 -0.20 7.33 0.00 -1.26 -1.72 120.51 122.75 1itw n ALA 586 Ca 0.19 0.57 0.03 0.00 0.00 0.00 0.00 53.44 54.23 1itw n ALA 586 Cb 0.81 -2.66 0.29 0.00 0.00 0.00 0.00 19.45 17.89 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 2.01 0.88 -0.02 0.00 0.11 -1.99 -2.13 132.00 130.87 1itw h PRO 587 Ca -0.41 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1itw h PRO 587 Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1itw h PRO 587 CO 0.22 0.58 -0.16 0.87 -0.21 0.00 0.00 178.00 179.30 1itw h LYS 588 N 0.91 0.03 -0.29 1.05 1.57 -2.00 -1.78 116.57 116.06 1itw h LYS 588 Ca 0.29 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.93 1itw h LYS 588 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1itw h LYS 588 CO -0.08 0.19 -0.34 0.45 -0.57 0.00 0.00 179.45 179.10 1itw h HIS 589 N 0.03 0.75 -0.46 -1.35 3.86 -1.73 -2.52 115.15 113.72 1itw h HIS 589 Ca 0.00 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 58.94 1itw h HIS 589 Cb 0.31 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1itw h HIS 589 CO 0.00 0.90 -0.02 0.28 0.86 0.00 0.00 177.93 179.95 1itw h VAL 590 N 0.54 1.26 -0.20 2.45 2.07 -1.32 -2.27 116.25 118.79 1itw h VAL 590 Ca 0.06 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.54 1itw h VAL 590 Cb 0.85 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1itw h VAL 590 CO 0.07 0.37 -0.09 1.56 0.02 0.00 0.00 177.57 179.50 1itw h GLN 591 N 0.68 -0.06 -0.90 1.57 4.20 -1.20 0.38 115.11 119.77 1itw h GLN 591 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1itw h GLN 591 Cb 0.53 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1itw h GLN 591 CO 0.03 -0.04 0.58 0.37 -0.67 0.00 0.00 178.83 179.09 1itw h GLN 592 N -0.07 1.20 -0.50 1.46 4.15 -1.39 0.15 115.11 120.11 1itw h GLN 592 Ca 0.11 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1itw h GLN 592 Cb 0.23 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1itw h GLN 592 CO -0.24 0.81 0.30 0.35 -1.93 0.00 0.00 178.83 178.11 1itw h PHE 593 N 1.23 0.67 -0.06 3.99 3.57 -0.71 0.28 116.94 125.91 1itw h PHE 593 Ca 0.33 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.68 1itw h PHE 593 Cb -0.11 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 1itw h PHE 593 CO -0.01 0.48 -0.60 -0.07 -2.23 0.00 0.00 178.31 175.88 1itw h LEU 594 N 0.67 0.22 0.08 0.59 3.38 -0.53 0.26 115.31 119.98 1itw h LEU 594 Ca 0.18 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 1itw h LEU 594 Cb 0.01 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 40.72 1itw h LEU 594 CO -0.03 0.77 -0.97 -0.33 0.09 0.00 0.00 178.44 177.97 1itw h GLU 595 N 0.14 0.51 0.00 1.13 5.08 -0.30 0.09 114.58 121.23 1itw h GLU 595 Ca -0.01 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1itw h GLU 595 Cb 1.10 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1itw h GLU 595 CO 0.09 1.27 -0.39 -0.85 -1.00 0.00 0.00 179.01 178.13 1itw n GLU 596 N -3.98 0.22 -3.41 2.33 0.28 0.94 -3.46 120.64 113.55 1itw n GLU 596 Ca -0.13 -1.22 -0.24 0.00 -0.16 0.00 0.00 57.16 55.41 1itw n GLU 596 Cb 0.86 -0.66 0.05 0.00 1.43 0.00 0.00 31.44 33.12 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 -0.22 -0.53 2.89 -1.84 0.00 0.90 -0.46 105.19 105.92 1itw n GLY 597 Ca 0.02 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.24 1.30 -0.32 1.61 5.04 -1.25 -4.11 117.35 116.38 1itw s TYR 598 Ca 0.48 -0.60 -0.07 0.00 -2.44 0.00 0.00 57.07 54.45 1itw s TYR 598 Cb -0.22 -1.12 0.03 0.00 0.35 0.00 0.00 41.96 40.99 1itw s TYR 598 CO 0.60 -0.45 0.10 -1.17 -1.34 0.00 0.00 175.55 173.28 1itw s LEU 599 N 1.66 4.15 0.00 6.97 2.96 -1.26 -2.57 118.68 130.59 1itw s LEU 599 Ca 0.03 -0.98 0.25 0.00 -0.22 0.00 0.00 54.13 53.22 1itw s LEU 599 Cb -0.13 -1.88 0.91 0.00 0.50 0.00 0.00 46.19 45.60 1itw s LEU 599 CO -0.07 -0.28 1.66 -2.11 -1.32 0.00 0.00 176.35 174.23 1itw n ARG 600 N 4.84 1.72 -1.65 1.98 1.85 -1.26 -0.34 116.66 123.80 1itw n ARG 600 Ca -0.13 -1.06 -0.46 0.00 -1.00 0.00 0.00 57.85 55.19 1itw n ARG 600 Cb 0.46 -1.45 -0.04 0.00 -1.05 0.00 0.00 32.46 30.38 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 0.28 2.03 -3.23 2.89 -0.00 -1.26 -4.80 117.44 113.35 1itw n TRP 601 Ca 0.18 0.44 -0.41 0.00 -0.00 0.00 0.00 57.50 57.70 1itw n TRP 601 Cb 0.36 -2.45 -0.08 0.00 -0.00 0.00 0.00 31.31 29.14 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 0.44 6.33 0.00 5.87 -1.08 -1.26 -4.49 116.67 122.48 1itw s ASP 602 Ca 0.73 0.03 0.14 0.00 -0.52 0.00 0.00 52.55 52.94 1itw s ASP 602 Cb -0.71 -2.27 0.56 0.00 -1.46 0.00 0.00 42.92 39.04 1itw s ASP 602 CO 0.46 -0.47 1.41 -1.20 0.52 0.00 0.00 175.17 175.89 1itw n SER 603 N 5.75 1.27 -0.29 -0.34 7.64 -1.26 -4.40 113.62 122.00 1itw n SER 603 Ca -0.04 -1.80 0.10 0.00 1.01 0.00 0.00 58.87 58.14 1itw n SER 603 Cb 0.49 -0.12 0.26 0.00 -1.01 0.00 0.00 64.21 63.83 1itw n SER 603 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1itw h LEU 604 N 1.54 0.25 -1.83 -3.43 5.85 -1.92 0.33 115.31 116.10 1itw h LEU 604 Ca 0.00 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1itw h LEU 604 Cb 0.34 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1itw h LEU 604 CO 0.00 0.01 0.18 1.23 -0.34 0.00 0.00 178.44 179.52 1itw h GLY 605 N 0.38 0.26 0.93 3.75 0.00 -1.76 0.09 103.07 106.73 1itw h GLY 605 Ca 0.50 -0.09 -0.14 0.00 0.00 0.00 0.00 47.33 47.60 1itw h GLY 605 CO -0.50 0.08 -0.43 0.83 0.00 0.00 0.00 176.54 176.51 1itw h GLU 606 N 0.23 0.61 -0.43 4.80 5.08 -0.58 -1.87 114.58 122.41 1itw h GLU 606 Ca 0.11 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1itw h GLU 606 Cb 0.16 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1itw h GLU 606 CO -0.02 1.03 0.27 0.74 -1.00 0.00 0.00 179.01 180.03 1itw h PHE 607 N 0.27 0.51 -0.34 4.33 0.04 -0.44 -0.78 116.94 120.54 1itw h PHE 607 Ca -0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1itw h PHE 607 Cb 1.04 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1itw h PHE 607 CO 0.09 0.31 0.19 -0.07 -0.60 0.00 0.00 178.31 178.23 1itw h LEU 608 N 0.55 0.42 -0.94 1.54 3.38 -1.02 -2.49 115.31 116.76 1itw h LEU 608 Ca 0.16 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1itw h LEU 608 Cb -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1itw h LEU 608 CO -0.05 0.38 -0.14 0.00 0.09 0.00 0.00 178.44 178.71 1itw h ALA 609 N 1.06 1.10 -0.71 1.53 0.00 -1.14 -2.69 119.26 118.41 1itw h ALA 609 Ca 0.12 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1itw h ALA 609 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1itw h ALA 609 CO -0.02 0.56 0.20 1.25 0.00 0.00 0.00 179.25 181.24 1itw h LEU 610 N 0.56 1.05 -0.78 0.00 5.85 -0.93 0.12 115.31 121.18 1itw h LEU 610 Ca 0.10 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1itw h LEU 610 Cb 0.57 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1itw h LEU 610 CO 0.04 0.99 0.15 0.00 -0.34 0.00 0.00 178.44 179.28 1itw h ALA 611 N 1.10 1.00 -0.41 1.25 0.00 -1.30 0.86 119.26 121.74 1itw h ALA 611 Ca 0.23 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1itw h ALA 611 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1itw h ALA 611 CO -0.00 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.61 1itw h ALA 612 N 1.14 0.70 -0.35 0.00 0.00 -1.14 -1.81 119.26 117.80 1itw h ALA 612 Ca 0.21 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1itw h ALA 612 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1itw h ALA 612 CO 0.00 0.67 0.09 1.03 0.00 0.00 0.00 179.25 181.04 1itw h SER 613 N 0.76 0.53 -0.78 0.00 0.87 -0.38 -1.32 113.55 113.22 1itw h SER 613 Ca 0.09 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.37 1itw h SER 613 Cb 0.86 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 1itw h SER 613 CO 0.08 0.61 0.30 -0.07 -0.53 0.00 0.00 176.83 177.22 1itw h LEU 614 N 0.42 1.09 -0.54 2.23 3.38 -0.76 -1.12 115.31 120.01 1itw h LEU 614 Ca 0.11 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1itw h LEU 614 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1itw h LEU 614 CO -0.00 0.97 -0.01 -0.08 0.09 0.00 0.00 178.44 179.41 1itw h GLU 615 N 1.14 0.96 -0.58 1.13 4.81 -1.19 0.11 114.58 120.96 1itw h GLU 615 Ca 0.26 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1itw h GLU 615 Cb 0.23 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1itw h GLU 615 CO -0.02 0.98 0.32 1.25 -0.73 0.00 0.00 179.01 180.81 1itw h HIS 616 N 0.84 0.80 -0.24 0.92 2.76 -0.95 -0.91 115.15 118.36 1itw h HIS 616 Ca 0.15 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1itw h HIS 616 Cb 0.55 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1itw h HIS 616 CO 0.04 0.57 -0.03 1.25 -1.30 0.00 0.00 177.93 178.47 1itw h LEU 617 N 0.79 0.44 -0.80 0.26 6.46 -0.99 -0.29 115.31 121.17 1itw h LEU 617 Ca 0.21 -0.34 0.08 0.00 -0.12 0.00 0.00 57.88 57.71 1itw h LEU 617 Cb 0.04 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 39.78 1itw h LEU 617 CO -0.03 0.68 0.46 1.23 -0.62 0.00 0.00 178.44 180.15 1itw h GLY 618 N 0.20 1.23 1.08 3.75 0.00 -0.48 0.33 103.07 109.18 1itw h GLY 618 Ca 0.06 -0.31 -0.22 0.00 0.00 0.00 0.00 47.33 46.86 1itw h GLY 618 CO 0.02 0.15 -0.83 3.43 0.00 0.00 0.00 176.54 179.31 1itw h ASN 619 N 0.79 0.82 -0.77 0.19 2.35 -1.07 0.53 115.58 118.41 1itw h ASN 619 Ca 0.38 -0.70 -0.04 0.00 -0.55 0.00 0.00 56.30 55.38 1itw h ASN 619 Cb 0.31 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1itw h ASN 619 CO -0.23 1.41 0.33 0.00 -1.65 0.00 0.00 177.43 177.29 1itw h ALA 620 N 0.43 1.00 -0.34 -0.83 0.00 -0.66 -3.18 119.26 115.68 1itw h ALA 620 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1itw h ALA 620 Cb 1.49 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1itw h ALA 620 CO 0.17 0.61 0.00 0.66 0.00 0.00 0.00 179.25 180.69 1itw n TYR 621 N -4.32 0.44 -3.65 0.00 4.02 0.07 -4.98 117.16 108.75 1itw n TYR 621 Ca 0.07 -0.33 -0.21 0.00 -0.01 0.00 0.00 57.90 57.42 1itw n TYR 621 Cb 0.17 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.53 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 0.95 -5.40 -3.54 -0.72 4.76 -0.21 -4.94 118.16 109.07 1itw n LYS 622 Ca 0.14 0.67 -0.41 0.00 -2.87 0.00 0.00 58.31 55.85 1itw n LYS 622 Cb 0.47 -5.36 -0.08 0.00 -1.84 0.00 0.00 35.03 28.21 1itw n LYS 622 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1itw s ASN 623 N -4.28 5.73 0.31 4.39 3.84 0.01 -4.96 114.94 119.97 1itw s ASN 623 Ca 0.05 -1.85 -0.01 0.00 0.21 0.00 0.00 52.86 51.27 1itw s ASN 623 Cb -0.03 -2.02 0.49 0.00 -0.55 0.00 0.00 41.25 39.14 1itw s ASN 623 CO 0.79 -0.68 1.96 -0.65 -2.79 0.00 0.00 177.10 175.72 1itw h PRO 624 N 8.48 1.03 -0.41 0.43 0.11 -1.92 -2.46 132.00 137.25 1itw h PRO 624 Ca -0.22 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1itw h PRO 624 Cb 1.08 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1itw h PRO 624 CO 0.86 0.68 -0.04 0.87 -0.21 0.00 0.00 178.00 180.17 1itw h LYS 625 N 1.06 0.69 -0.42 1.05 1.57 -1.93 -2.19 116.57 116.40 1itw h LYS 625 Ca 0.32 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1itw h LYS 625 Cb -0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1itw h LYS 625 CO -0.09 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 1itw h ALA 626 N 1.32 1.23 -0.24 3.86 0.00 -1.74 0.22 119.26 123.91 1itw h ALA 626 Ca 0.12 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1itw h ALA 626 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1itw h ALA 626 CO 0.02 0.51 -0.44 -0.07 0.00 0.00 0.00 179.25 179.27 1itw h LEU 627 N 0.63 0.65 -0.34 0.00 3.38 -1.30 -1.00 115.31 117.33 1itw h LEU 627 Ca 0.13 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1itw h LEU 627 Cb 0.39 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1itw h LEU 627 CO 0.01 1.00 -0.38 0.58 0.09 0.00 0.00 178.44 179.74 1itw h VAL 628 N 0.49 1.28 -0.95 1.22 2.07 -0.99 -0.39 116.25 118.97 1itw h VAL 628 Ca 0.03 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 66.01 1itw h VAL 628 Cb 0.96 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1itw h VAL 628 CO 0.09 0.51 0.63 -0.07 0.02 0.00 0.00 177.57 178.75 1itw h LEU 629 N 0.66 1.08 -0.26 2.57 3.38 -0.80 -0.63 115.31 121.31 1itw h LEU 629 Ca 0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1itw h LEU 629 Cb 0.97 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1itw h LEU 629 CO 0.09 0.77 -0.06 0.00 0.09 0.00 0.00 178.44 179.34 1itw h ALA 630 N 1.36 0.36 -0.32 1.53 0.00 -0.91 -1.37 119.26 119.91 1itw h ALA 630 Ca 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1itw h ALA 630 Cb -0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1itw h ALA 630 CO -0.08 0.16 0.15 0.77 0.00 0.00 0.00 179.25 180.24 1itw h SER 631 N 0.25 0.42 -0.10 0.00 0.02 -0.75 -1.10 113.55 112.29 1itw h SER 631 Ca 0.07 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1itw h SER 631 Cb 0.52 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1itw h SER 631 CO 0.02 0.44 -0.17 0.71 -1.14 0.00 0.00 176.83 176.70 1itw h THR 632 N 0.38 1.24 -0.62 -2.27 1.35 -1.13 -2.18 112.91 109.67 1itw h THR 632 Ca 0.11 -1.09 -0.08 0.00 -0.55 0.00 0.00 66.41 64.80 1itw h THR 632 Cb 0.14 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 1itw h THR 632 CO -0.01 0.35 0.08 0.25 -0.25 0.00 0.00 175.52 175.93 1itw h LEU 633 N 0.43 0.99 -0.43 3.87 5.85 -0.95 -0.24 115.31 124.84 1itw h LEU 633 Ca 0.08 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1itw h LEU 633 Cb 0.55 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1itw h LEU 633 CO 0.04 1.00 0.16 0.44 -0.34 0.00 0.00 178.44 179.74 1itw h ASP 634 N 0.97 0.17 -0.49 1.25 3.32 -0.61 0.32 116.42 121.35 1itw h ASP 634 Ca 0.19 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1itw h ASP 634 Cb 0.45 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1itw h ASP 634 CO 0.02 0.13 0.17 -0.61 -1.72 0.00 0.00 179.24 177.23 1itw h GLN 635 N 0.33 0.75 -0.72 3.56 4.15 -0.88 -1.18 115.11 121.11 1itw h GLN 635 Ca 0.20 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1itw h GLN 635 Cb 0.18 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1itw h GLN 635 CO -0.19 0.69 0.48 0.00 -1.93 0.00 0.00 178.83 177.87 1itw h ALA 636 N 1.02 0.92 -0.57 3.38 0.00 -0.51 -1.39 119.26 122.11 1itw h ALA 636 Ca 0.16 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1itw h ALA 636 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1itw h ALA 636 CO -0.01 0.33 0.05 1.15 0.00 0.00 0.00 179.25 180.77 1itw h THR 637 N 0.97 1.25 -0.62 0.00 2.02 -0.74 -0.96 112.91 114.84 1itw h THR 637 Ca 0.27 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1itw h THR 637 Cb -0.10 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1itw h THR 637 CO -0.06 0.37 0.29 1.23 0.37 0.00 0.00 175.52 177.72 1itw h GLY 638 N 1.01 0.94 2.00 2.16 0.00 -0.57 -1.97 103.07 106.63 1itw h GLY 638 Ca 0.17 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 1itw h GLY 638 CO 0.02 0.43 -0.67 0.50 0.00 0.00 0.00 176.54 176.81 1itw h LYS 639 N 0.87 0.00 -0.69 4.80 1.57 -0.59 0.95 116.57 123.48 1itw h LYS 639 Ca 0.21 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1itw h LYS 639 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1itw h LYS 639 CO -0.03 0.67 0.42 0.82 -0.57 0.00 0.00 179.45 180.77 1itw h ILE 640 N 0.00 1.07 0.31 1.86 1.08 -0.46 0.30 117.51 121.67 1itw h ILE 640 Ca -0.01 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1itw h ILE 640 Cb 1.19 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1itw h ILE 640 CO 0.09 0.15 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.48 1itw h LEU 641 N 0.82 -0.36 -1.40 1.44 3.38 -1.17 0.14 115.31 118.17 1itw h LEU 641 Ca 0.28 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1itw h LEU 641 Cb 0.05 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1itw h LEU 641 CO -0.12 0.11 0.44 0.44 0.09 0.00 0.00 178.44 179.41 1itw h ASP 642 N -0.99 0.67 -0.62 -0.43 3.32 -0.71 -1.82 116.42 115.83 1itw h ASP 642 Ca -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1itw h ASP 642 Cb 0.48 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1itw h ASP 642 CO 0.07 0.45 0.00 0.59 -1.72 0.00 0.00 179.24 178.64 1itw n ASN 643 N -4.46 3.78 -3.73 6.45 3.02 0.10 -4.97 115.26 115.45 1itw n ASN 643 Ca 0.09 -2.15 -0.33 0.00 -0.03 0.00 0.00 54.58 52.16 1itw n ASN 643 Cb 0.15 -0.48 0.04 0.00 -0.61 0.00 0.00 39.78 38.89 1itw n ASN 643 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1itw n ASN 644 N 1.24 -5.23 -1.38 6.41 2.85 -0.69 -4.92 115.26 113.55 1itw n ASN 644 Ca 0.22 -1.03 0.00 0.00 -0.11 0.00 0.00 54.58 53.66 1itw n ASN 644 Cb 0.65 -3.11 0.27 0.00 1.24 0.00 0.00 39.78 38.82 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 -4.18 3.00 -2.32 1.20 4.76 0.47 -4.99 118.16 116.09 1itw n LYS 645 Ca -0.10 -3.02 -0.27 0.00 -2.87 0.00 0.00 58.31 52.05 1itw n LYS 645 Cb 0.59 -1.99 0.03 0.00 -1.84 0.00 0.00 35.03 31.82 1itw n LYS 645 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1itw s SER 646 N -1.73 5.66 -0.07 4.39 0.01 -1.26 -4.16 113.70 116.55 1itw s SER 646 Ca 0.48 0.82 -0.39 0.00 1.31 0.00 0.00 55.95 58.18 1itw s SER 646 Cb 0.40 -1.82 -0.17 0.00 0.21 0.00 0.00 66.02 64.63 1itw s SER 646 CO 0.09 -1.05 1.46 -2.65 0.41 0.00 0.00 173.24 171.50 1itw n PRO 647 N -2.62 0.97 0.00 12.44 -0.02 -1.26 -4.81 135.00 139.70 1itw n PRO 647 Ca 0.04 0.35 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 1itw n PRO 647 Cb 0.57 -1.99 0.51 0.00 -0.02 0.00 0.00 33.50 32.57 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 3.41 2.07 -3.40 3.55 0.00 -0.28 -4.93 120.51 120.93 1itw n ALA 648 Ca 0.22 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 1itw n ALA 648 Cb 0.15 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.46 -3.20 -3.16 0.00 1.74 -1.26 -5.01 116.66 104.31 1itw n ARG 649 Ca 0.06 0.78 0.04 0.00 -0.77 0.00 0.00 57.85 57.96 1itw n ARG 649 Cb 0.25 -5.51 -0.04 0.00 -1.02 0.00 0.00 32.46 26.14 1itw n ARG 649 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1itw s LYS 650 N -4.98 0.01 0.16 5.56 2.47 -1.26 -5.10 119.74 116.60 1itw s LYS 650 Ca 0.33 0.02 -0.33 0.00 -1.56 0.00 0.00 55.97 54.43 1itw s LYS 650 Cb -0.06 0.01 -0.16 0.00 -1.46 0.00 0.00 37.83 36.17 1itw s LYS 650 CO 0.76 -0.00 1.23 1.55 0.16 0.00 0.00 175.35 179.05 1itw n VAL 651 N 4.57 0.72 0.00 4.02 3.14 -1.26 -1.40 118.33 128.12 1itw n VAL 651 Ca -0.06 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1itw n VAL 651 Cb 0.56 -0.93 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 1itw n VAL 651 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1itw n GLY 652 N 2.16 3.09 3.96 7.55 0.00 -1.26 -5.05 105.19 115.63 1itw n GLY 652 Ca 0.15 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 1.82 0.40 1.61 2.02 -0.49 -4.94 118.70 119.12 1itw s GLU 653 Ca 0.00 -0.69 -0.26 0.00 0.02 0.00 0.00 54.97 54.03 1itw s GLU 653 Cb 0.00 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 1itw s GLU 653 CO 0.00 -1.41 1.33 0.96 0.02 0.00 0.00 175.26 176.16 1itw s ILE 654 N -3.22 2.53 0.00 -1.63 -4.36 -1.26 -4.87 121.20 108.39 1itw s ILE 654 Ca 0.64 0.49 0.00 0.00 -0.26 0.00 0.00 60.65 61.52 1itw s ILE 654 Cb -0.08 -3.29 0.00 0.00 1.25 0.00 0.00 42.46 40.34 1itw s ILE 654 CO 0.45 0.08 0.00 -0.90 0.24 0.00 0.00 174.94 174.81 1itw n ASP 655 N 0.22 1.59 -0.29 4.36 5.75 -1.26 -1.13 116.55 125.79 1itw n ASP 655 Ca 0.03 -0.25 0.10 0.00 -0.01 0.00 0.00 54.79 54.66 1itw n ASP 655 Cb 0.43 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.78 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 0.35 -0.37 -1.12 -0.73 -0.91 -0.22 115.58 112.58 1itw h ASN 656 Ca 0.00 0.13 -0.09 0.00 1.87 0.00 0.00 56.30 58.22 1itw h ASN 656 Cb 0.00 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 1itw h ASN 656 CO 0.00 0.07 -0.07 0.03 -0.37 0.00 0.00 177.43 177.09 1itw h ARG 657 N 0.45 0.78 -0.52 6.67 3.08 -1.93 -2.43 114.38 120.50 1itw h ARG 657 Ca 0.51 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 1itw h ARG 657 Cb 0.88 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 1itw h ARG 657 CO -0.47 0.84 0.14 0.78 -1.07 0.00 0.00 179.97 180.19 1itw h GLY 658 N 0.97 0.88 1.50 0.04 0.00 -1.43 -2.00 103.07 103.03 1itw h GLY 658 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1itw h GLY 658 CO 0.03 0.50 0.33 1.48 0.00 0.00 0.00 176.54 178.88 1itw h SER 659 N 0.71 0.59 -0.21 0.19 4.64 -1.00 -0.93 113.55 117.55 1itw h SER 659 Ca 0.16 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.34 1itw h SER 659 Cb 0.31 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1itw h SER 659 CO -0.00 0.44 -0.30 0.45 -0.87 0.00 0.00 176.83 176.55 1itw h HIS 660 N 0.69 0.82 -0.35 4.77 -0.00 -1.04 -0.95 115.15 119.09 1itw h HIS 660 Ca 0.19 -0.21 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 1itw h HIS 660 Cb -0.06 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 1itw h HIS 660 CO 0.00 0.92 0.19 0.35 -0.00 0.00 0.00 177.93 179.39 1itw h PHE 661 N 0.60 0.49 -0.40 2.45 3.57 -0.47 -1.15 116.94 122.03 1itw h PHE 661 Ca 0.07 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1itw h PHE 661 Cb 0.81 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1itw h PHE 661 CO 0.04 0.39 0.07 1.88 -2.23 0.00 0.00 178.31 178.46 1itw h TYR 662 N 0.44 0.61 -0.28 0.41 -1.99 -1.06 0.16 116.97 115.28 1itw h TYR 662 Ca 0.12 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1itw h TYR 662 Cb 0.06 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.60 1itw h TYR 662 CO -0.03 0.55 0.13 1.25 -0.00 0.00 0.00 178.16 180.06 1itw h LEU 663 N 0.58 0.37 -0.60 3.88 5.85 -0.70 -0.03 115.31 124.66 1itw h LEU 663 Ca 0.13 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1itw h LEU 663 Cb 0.26 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1itw h LEU 663 CO 0.00 0.40 0.31 0.00 -0.34 0.00 0.00 178.44 178.81 1itw h ALA 664 N 0.98 0.77 0.43 1.25 0.00 -0.69 0.19 119.26 122.19 1itw h ALA 664 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1itw h ALA 664 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1itw h ALA 664 CO -0.01 0.31 -0.30 1.25 0.00 0.00 0.00 179.25 180.50 1itw h LEU 665 N 0.81 -0.76 -1.06 0.00 5.85 -0.34 0.44 115.31 120.25 1itw h LEU 665 Ca 0.21 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 1itw h LEU 665 Cb 0.08 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1itw h LEU 665 CO -0.03 -0.46 -0.25 1.88 -0.34 0.00 0.00 178.44 179.24 1itw h TYR 666 N -0.71 0.40 -0.19 1.25 0.99 -0.90 -0.72 116.97 117.09 1itw h TYR 666 Ca -0.04 -0.08 -0.06 0.00 2.00 0.00 0.00 58.73 60.55 1itw h TYR 666 Cb 0.60 -0.10 -0.00 0.00 1.00 0.00 0.00 36.73 38.22 1itw h TYR 666 CO -0.12 0.59 -0.13 2.35 -0.00 0.00 0.00 178.16 180.85 1itw h TRP 667 N 0.32 0.48 -0.52 4.88 2.91 -0.46 -0.63 115.95 122.94 1itw h TRP 667 Ca 0.05 -0.13 -0.09 0.00 1.13 0.00 0.00 58.89 59.85 1itw h TRP 667 Cb 0.62 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.14 1itw h TRP 667 CO 0.02 0.74 -0.03 0.00 -1.03 0.00 0.00 178.44 178.13 1itw h ALA 668 N 0.67 0.96 -0.57 2.65 0.00 -0.79 -0.06 119.26 122.11 1itw h ALA 668 Ca 0.04 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1itw h ALA 668 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1itw h ALA 668 CO 0.03 0.62 0.05 1.96 0.00 0.00 0.00 179.25 181.92 1itw h GLN 669 N 0.83 0.98 -0.60 0.00 4.20 -1.05 -0.56 115.11 118.91 1itw h GLN 669 Ca 0.15 -0.28 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 1itw h GLN 669 Cb 0.54 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1itw h GLN 669 CO 0.03 0.95 -0.02 0.00 -0.67 0.00 0.00 178.83 179.12 1itw h ALA 670 N 0.99 0.83 -0.11 3.87 0.00 -0.84 -1.87 119.26 122.13 1itw h ALA 670 Ca 0.17 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1itw h ALA 670 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1itw h ALA 670 CO 0.02 0.67 -0.33 -0.07 0.00 0.00 0.00 179.25 179.54 1itw h LEU 671 N 0.97 0.22 -0.23 0.00 3.38 -0.78 -1.04 115.31 117.83 1itw h LEU 671 Ca 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1itw h LEU 671 Cb 0.58 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1itw h LEU 671 CO 0.03 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1itw h ALA 672 N 1.47 1.00 0.00 1.53 0.00 -0.85 -3.31 119.26 119.09 1itw h ALA 672 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1itw h ALA 672 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1itw h ALA 672 CO 0.05 0.00 -1.44 0.00 0.00 0.00 0.00 179.25 177.86 1itw n ALA 673 N -2.03 3.46 -1.78 0.00 0.00 -0.72 -4.88 120.51 114.55 1itw n ALA 673 Ca 0.04 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.64 1itw n ALA 673 Cb 0.47 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.08 3.64 -0.33 0.00 1.03 -0.44 -4.98 119.66 115.50 1itw s GLN 674 Ca -0.01 1.58 0.07 0.00 0.04 0.00 0.00 55.36 57.05 1itw s GLN 674 Cb 0.13 -2.18 0.52 0.00 0.03 0.00 0.00 33.01 31.52 1itw s GLN 674 CO 0.78 -0.61 1.53 0.25 -2.54 0.00 0.00 175.29 174.71 1itw n THR 675 N -0.90 2.69 -0.08 3.63 -2.24 -1.26 -4.61 114.28 111.50 1itw n THR 675 Ca 0.09 -2.74 -0.09 0.00 -2.27 0.00 0.00 64.05 59.04 1itw n THR 675 Cb 0.50 -0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 1itw n THR 675 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1itw n GLU 676 N -1.11 1.23 -3.80 -0.78 0.00 -1.26 -4.92 120.64 110.00 1itw n GLU 676 Ca 0.39 0.03 -0.29 0.00 0.00 0.00 0.00 57.16 57.29 1itw n GLU 676 Cb 1.11 -1.38 -0.16 0.00 0.00 0.00 0.00 31.44 31.00 1itw n GLU 676 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1itw s ASP 677 N -5.15 3.42 0.33 -1.84 -1.08 -1.26 -5.01 116.67 106.08 1itw s ASP 677 Ca -0.13 -1.09 0.03 0.00 -0.52 0.00 0.00 52.55 50.84 1itw s ASP 677 Cb 0.05 -0.84 0.58 0.00 -1.46 0.00 0.00 42.92 41.26 1itw s ASP 677 CO 0.56 -0.30 1.90 0.11 0.52 0.00 0.00 175.17 177.95 1itw h LYS 678 N 8.12 0.63 -0.61 4.34 1.57 -1.91 -2.04 116.57 126.66 1itw h LYS 678 Ca -0.16 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 1itw h LYS 678 Cb 1.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1itw h LYS 678 CO 0.39 0.58 0.12 0.93 -0.57 0.00 0.00 179.45 180.90 1itw h GLU 679 N 0.61 1.00 -0.25 3.15 5.08 -1.99 -1.09 114.58 121.09 1itw h GLU 679 Ca 0.14 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 1itw h GLU 679 Cb 0.24 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1itw h GLU 679 CO -0.00 0.93 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.37 1itw h LEU 680 N 0.91 0.73 -0.39 1.33 3.38 -1.88 -1.46 115.31 117.93 1itw h LEU 680 Ca 0.19 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1itw h LEU 680 Cb 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1itw h LEU 680 CO 0.01 1.10 0.24 -0.61 0.09 0.00 0.00 178.44 179.27 1itw h GLN 681 N 0.53 0.53 -0.21 1.13 4.15 -1.08 -1.15 115.11 119.01 1itw h GLN 681 Ca 0.02 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1itw h GLN 681 Cb 1.05 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1itw h GLN 681 CO 0.10 0.38 0.00 0.00 -1.93 0.00 0.00 178.83 177.38 1itw h ALA 682 N 1.12 0.28 -0.58 3.38 0.00 -1.14 -2.26 119.26 120.06 1itw h ALA 682 Ca 0.14 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1itw h ALA 682 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1itw h ALA 682 CO -0.03 0.00 0.32 0.37 0.00 0.00 0.00 179.25 179.92 1itw h GLN 683 N 0.14 0.61 -0.01 0.00 4.15 -1.08 -2.80 115.11 116.11 1itw h GLN 683 Ca 0.06 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1itw h GLN 683 Cb 0.39 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1itw h GLN 683 CO 0.01 0.40 -0.04 1.19 -1.93 0.00 0.00 178.83 178.47 1itw n PHE 684 N -4.81 0.00 -0.10 3.99 3.01 -0.45 -4.05 117.46 115.05 1itw n PHE 684 Ca 0.06 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.42 1itw n PHE 684 Cb 0.12 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.54 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 1.67 1.19 -0.37 4.37 2.02 -1.12 0.20 112.91 120.86 1itw h THR 685 Ca 0.00 -0.58 -0.15 0.00 0.77 0.00 0.00 66.41 66.45 1itw h THR 685 Cb 0.40 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1itw h THR 685 CO 0.00 0.20 -0.36 1.23 0.37 0.00 0.00 175.52 176.96 1itw h GLY 686 N 0.35 0.94 0.89 2.16 0.00 -1.73 -2.15 103.07 103.55 1itw h GLY 686 Ca 0.10 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1itw h GLY 686 CO -0.01 0.85 0.07 -2.22 0.00 0.00 0.00 176.54 175.23 1itw h ILE 687 N 0.72 1.15 -0.65 2.60 1.08 -1.67 -1.27 117.51 119.46 1itw h ILE 687 Ca 0.06 -0.44 0.03 0.00 -0.39 0.00 0.00 64.86 64.12 1itw h ILE 687 Cb 0.93 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.77 1itw h ILE 687 CO 0.09 0.14 0.41 0.00 -0.69 0.00 0.00 178.15 178.09 1itw h ALA 688 N 0.92 0.84 -0.16 1.87 0.00 -0.56 -1.38 119.26 120.80 1itw h ALA 688 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1itw h ALA 688 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1itw h ALA 688 CO -0.01 0.17 0.09 -0.22 0.00 0.00 0.00 179.25 179.29 1itw h LYS 689 N 0.80 0.22 -0.16 0.00 3.64 -1.13 0.11 116.57 120.05 1itw h LYS 689 Ca 0.26 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1itw h LYS 689 Cb 0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1itw h LYS 689 CO -0.10 0.19 0.04 0.00 -2.27 0.00 0.00 179.45 177.31 1itw h ALA 690 N 1.01 0.16 -0.62 5.00 0.00 -0.94 0.13 119.26 124.00 1itw h ALA 690 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1itw h ALA 690 Cb 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1itw h ALA 690 CO -0.01 -0.40 0.27 -0.07 0.00 0.00 0.00 179.25 179.04 1itw h LEU 691 N 0.11 0.84 -0.01 0.00 3.38 -1.09 -1.63 115.31 116.92 1itw h LEU 691 Ca 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1itw h LEU 691 Cb 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1itw h LEU 691 CO -0.09 0.76 0.00 0.74 0.09 0.00 0.00 178.44 179.95 1itw h THR 692 N 0.86 1.18 0.00 0.22 2.02 -0.46 -1.93 112.91 114.80 1itw h THR 692 Ca 0.21 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1itw h THR 692 Cb 0.17 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1itw h THR 692 CO -0.02 0.14 -0.14 0.44 0.37 0.00 0.00 175.52 176.30 1itw h ASP 693 N -0.21 0.00 -0.41 4.18 3.32 -0.68 -2.95 116.42 119.67 1itw h ASP 693 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1itw h ASP 693 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1itw h ASP 693 CO -0.00 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.25 1itw n ASN 694 N -3.61 4.32 0.06 6.45 3.02 -0.62 -4.75 115.26 120.14 1itw n ASN 694 Ca -0.01 -2.74 -0.12 0.00 -0.03 0.00 0.00 54.58 51.67 1itw n ASN 694 Cb 0.27 -0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 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 2.74 -0.51 -0.57 3.52 4.81 -1.16 0.15 114.58 123.56 1itw h GLU 695 Ca 0.00 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1itw h GLU 695 Cb 1.46 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.90 1itw h GLU 695 CO 0.25 -0.34 0.25 1.15 -0.73 0.00 0.00 179.01 179.59 1itw h THR 696 N -0.53 0.86 -0.47 0.32 2.02 -1.86 -0.13 112.91 113.12 1itw h THR 696 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1itw h THR 696 Cb 0.55 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1itw h THR 696 CO -0.24 0.08 0.30 0.50 0.37 0.00 0.00 175.52 176.53 1itw h LYS 697 N 0.46 0.62 -0.08 6.66 3.64 -1.81 -0.11 116.57 125.96 1itw h LYS 697 Ca 0.27 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1itw h LYS 697 Cb 0.27 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1itw h LYS 697 CO -0.24 0.42 0.00 0.82 -2.27 0.00 0.00 179.45 178.19 1itw h ILE 698 N 0.63 1.24 -0.92 2.00 2.04 -0.17 -0.52 117.51 121.80 1itw h ILE 698 Ca 0.17 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.34 1itw h ILE 698 Cb -0.05 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 1itw h ILE 698 CO -0.04 0.21 0.60 0.58 0.00 0.00 0.00 178.15 179.51 1itw h VAL 699 N -0.13 1.09 -0.36 1.67 2.07 -0.94 0.28 116.25 119.92 1itw h VAL 699 Ca 0.02 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1itw h VAL 699 Cb 0.33 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1itw h VAL 699 CO 0.00 0.20 0.10 1.23 0.02 0.00 0.00 177.57 179.12 1itw h GLY 700 N 1.08 0.61 1.42 2.17 0.00 -0.78 0.21 103.07 107.78 1itw h GLY 700 Ca 0.39 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1itw h GLY 700 CO -0.14 0.35 0.03 0.83 0.00 0.00 0.00 176.54 177.61 1itw h GLU 701 N 0.44 0.72 -0.34 4.80 5.08 -0.18 -0.90 114.58 124.19 1itw h GLU 701 Ca 0.12 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1itw h GLU 701 Cb 0.28 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1itw h GLU 701 CO -0.00 0.71 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.27 1itw h LEU 702 N 0.68 0.87 -1.00 1.33 3.38 -0.72 -3.03 115.31 116.82 1itw h LEU 702 Ca 0.14 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1itw h LEU 702 Cb 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1itw h LEU 702 CO 0.01 1.15 -0.21 0.00 0.09 0.00 0.00 178.44 179.48 1itw h ALA 703 N 0.89 1.16 0.00 1.53 0.00 -0.53 -2.45 119.26 119.85 1itw h ALA 703 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1itw h ALA 703 Cb 0.95 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1itw h ALA 703 CO 0.09 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1itw h ALA 704 N 1.35 1.00 0.00 0.00 0.00 -1.05 -0.91 119.26 119.65 1itw h ALA 704 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1itw h ALA 704 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1itw h ALA 704 CO 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.22 1itw n ALA 705 N -1.99 2.48 -2.23 0.00 0.00 -0.92 -4.85 120.51 113.01 1itw n ALA 705 Ca -0.01 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 1itw n ALA 705 Cb 0.15 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.19 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 -3.01 2.94 0.00 0.00 -0.21 -0.35 -4.51 119.66 114.52 1itw s GLN 706 Ca 0.13 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 55.00 1itw s GLN 706 Cb 0.18 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.67 1itw s GLN 706 CO 0.56 -0.40 0.00 0.41 -2.12 0.00 0.00 175.29 173.73 1itw n GLY 707 N -2.18 0.58 3.11 3.09 0.00 0.39 -4.97 105.19 105.21 1itw n GLY 707 Ca 0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.78 0.56 0.59 1.61 1.02 -1.15 -4.97 119.74 116.62 1itw s LYS 708 Ca 0.00 -0.72 -0.18 0.00 0.02 0.00 0.00 55.97 55.10 1itw s LYS 708 Cb 0.00 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 1itw s LYS 708 CO 0.00 -0.14 1.12 -2.14 -0.92 0.00 0.00 175.35 173.28 1itw s PRO 709 N -2.44 3.13 -0.09 -1.68 0.02 -1.22 -1.06 135.00 131.65 1itw s PRO 709 Ca -0.06 1.53 0.03 0.00 0.02 0.00 0.00 61.00 62.51 1itw s PRO 709 Cb -0.02 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.52 1itw s PRO 709 CO -0.04 -1.02 -0.20 0.08 -0.33 0.00 0.00 177.00 175.50 1itw s VAL 710 N -2.00 1.76 -0.28 3.83 1.01 0.02 -4.82 120.40 119.92 1itw s VAL 710 Ca 0.70 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1itw s VAL 710 Cb -0.23 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.64 1itw s VAL 710 CO 0.33 0.49 0.00 -0.62 0.00 0.00 0.00 175.10 175.31 1itw s ASP 711 N 0.50 4.76 -0.08 3.32 2.15 -1.26 -4.62 116.67 121.43 1itw s ASP 711 Ca -0.16 -0.98 0.14 0.00 0.43 0.00 0.00 52.55 51.98 1itw s ASP 711 Cb -0.17 -1.75 0.42 0.00 -0.30 0.00 0.00 42.92 41.13 1itw s ASP 711 CO 0.06 -0.20 1.35 2.30 -0.17 0.00 0.00 175.17 178.51 1itw n ILE 712 N 4.71 1.58 -3.81 4.11 -5.35 -1.26 -4.89 119.36 114.46 1itw n ILE 712 Ca -0.15 -1.38 -0.24 0.00 -0.27 0.00 0.00 62.75 60.72 1itw n ILE 712 Cb 0.46 0.17 0.01 0.00 -1.74 0.00 0.00 39.64 38.53 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 0.12 -2.08 0.00 -1.28 0.00 -1.26 -0.86 120.51 115.15 1itw n ALA 713 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1itw n ALA 713 Cb 0.65 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.77 -1.73 2.04 0.00 0.00 -1.26 -3.86 105.19 98.61 1itw n GLY 714 Ca -0.28 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1itw n GLY 714 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1itw n TYR 715 N 1.07 -2.84 0.12 1.61 9.36 -1.26 -4.69 117.16 120.53 1itw n TYR 715 Ca 0.00 0.64 0.05 0.00 3.32 0.00 0.00 57.90 61.92 1itw n TYR 715 Cb 0.00 1.22 0.02 0.00 -0.63 0.00 0.00 39.34 39.94 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 -1.35 2.98 -1.99 -1.96 -3.40 116.97 111.25 1itw h TYR 716 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 1itw h TYR 716 Cb 0.00 0.00 -0.31 0.00 2.00 0.00 0.00 36.73 38.42 1itw h TYR 716 CO 0.00 0.32 -0.93 1.58 -0.00 0.00 0.00 178.16 179.14 1itw n HIS 717 N -2.99 -1.13 -1.14 4.88 -0.00 -1.26 -4.36 115.22 109.23 1itw n HIS 717 Ca -0.01 -3.09 -0.29 0.00 -0.00 0.00 0.00 57.72 54.33 1itw n HIS 717 Cb 0.69 0.27 0.17 0.00 -0.00 0.00 0.00 29.99 31.11 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 -0.97 0.64 -0.23 1.57 0.04 -1.26 -4.76 135.00 130.02 1itw s PRO 718 Ca 0.34 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 1itw s PRO 718 Cb 0.25 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 33.02 1itw s PRO 718 CO -0.12 -2.62 1.45 1.21 0.04 0.00 0.00 177.00 176.95 1itw s ASN 719 N -3.37 6.59 0.51 6.66 3.84 -0.04 -4.89 114.94 124.23 1itw s ASN 719 Ca 0.65 1.50 0.17 0.00 0.21 0.00 0.00 52.86 55.39 1itw s ASN 719 Cb -0.19 -2.54 1.27 0.00 -0.55 0.00 0.00 41.25 39.25 1itw s ASN 719 CO 0.58 -1.10 2.13 0.71 -2.79 0.00 0.00 177.10 176.63 1itw h THR 720 N 5.95 0.98 -0.12 -5.21 1.35 -1.92 -0.20 112.91 113.73 1itw h THR 720 Ca -0.30 -0.10 -0.14 0.00 -0.55 0.00 0.00 66.41 65.32 1itw h THR 720 Cb 1.13 1.05 0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1itw h THR 720 CO 1.01 0.03 -0.49 0.44 -0.25 0.00 0.00 175.52 176.26 1itw h ASP 721 N 0.00 0.64 -0.52 5.36 3.32 -1.96 -1.17 116.42 122.08 1itw h ASP 721 Ca -0.00 -0.62 -0.11 0.00 0.02 0.00 0.00 57.03 56.32 1itw h ASP 721 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1itw h ASP 721 CO 0.00 1.16 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.52 1itw h LEU 722 N 0.16 1.00 -0.10 1.55 3.38 -1.79 -1.32 115.31 118.19 1itw h LEU 722 Ca -0.03 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1itw h LEU 722 Cb 1.12 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1itw h LEU 722 CO 0.10 1.10 0.01 0.74 0.09 0.00 0.00 178.44 180.48 1itw h THR 723 N 0.90 1.24 -0.40 0.22 2.02 -1.05 -1.64 112.91 114.19 1itw h THR 723 Ca 0.14 -0.74 0.05 0.00 0.77 0.00 0.00 66.41 66.63 1itw h THR 723 Cb 0.65 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1itw h THR 723 CO 0.04 0.21 0.14 -1.28 0.37 0.00 0.00 175.52 175.01 1itw h SER 724 N -0.08 0.16 -0.33 4.18 0.87 -1.13 -0.65 113.55 116.56 1itw h SER 724 Ca 0.03 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1itw h SER 724 Cb 0.32 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 1itw h SER 724 CO 0.00 0.13 0.03 0.11 -0.53 0.00 0.00 176.83 176.57 1itw h LYS 725 N 0.31 0.12 -0.63 2.24 6.56 -1.13 -1.40 116.57 122.65 1itw h LYS 725 Ca 0.18 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.71 1itw h LYS 725 Cb 0.16 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.76 1itw h LYS 725 CO -0.18 0.08 0.17 0.00 -2.06 0.00 0.00 179.45 177.47 1itw h ALA 726 N 1.27 1.13 -0.00 3.86 0.00 -0.82 -2.93 119.26 121.77 1itw h ALA 726 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1itw h ALA 726 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1itw h ALA 726 CO -0.24 0.59 -0.13 -1.33 0.00 0.00 0.00 179.25 178.15 1itw n MET 727 N -4.26 0.31 -3.20 0.00 2.81 -0.29 -4.13 117.12 108.35 1itw n MET 727 Ca 0.05 -0.08 -0.23 0.00 -1.81 0.00 0.00 57.70 55.62 1itw n MET 727 Cb 0.23 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.18 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 -1.27 1.32 0.00 0.03 1.74 -0.56 -4.47 116.66 113.44 1itw n ARG 728 Ca 0.11 -3.66 0.15 0.00 -0.77 0.00 0.00 57.85 53.67 1itw n ARG 728 Cb 0.30 -1.62 0.67 0.00 -1.02 0.00 0.00 32.46 30.80 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 0.85 0.92 -3.31 5.56 -0.04 -1.21 -4.79 135.00 132.97 1itw n PRO 729 Ca 0.25 -0.30 -0.44 0.00 -0.04 0.00 0.00 63.50 62.96 1itw n PRO 729 Cb 0.53 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 1itw n PRO 729 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1itw s SER 730 N -2.29 6.18 0.35 3.54 0.15 -1.26 -4.84 113.70 115.52 1itw s SER 730 Ca 0.34 -1.12 0.05 0.00 0.70 0.00 0.00 55.95 55.92 1itw s SER 730 Cb 0.21 -2.22 0.64 0.00 -1.71 0.00 0.00 66.02 62.94 1itw s SER 730 CO 0.43 -0.72 1.90 0.00 1.20 0.00 0.00 173.24 176.05 1itw h ALA 731 N 8.83 1.42 -0.51 5.45 0.00 -1.96 -1.43 119.26 131.07 1itw h ALA 731 Ca -0.28 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1itw h ALA 731 Cb 1.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1itw h ALA 731 CO 0.89 0.41 -0.13 1.15 0.00 0.00 0.00 179.25 181.58 1itw h THR 732 N 0.49 1.27 -0.24 0.00 2.02 -1.96 -1.04 112.91 113.45 1itw h THR 732 Ca 0.11 -1.27 -0.08 0.00 0.77 0.00 0.00 66.41 65.94 1itw h THR 732 Cb 0.29 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1itw h THR 732 CO 0.01 0.44 -0.15 0.15 0.37 0.00 0.00 175.52 176.34 1itw h PHE 733 N 0.84 0.62 -0.54 3.16 3.57 -1.86 -0.53 116.94 122.20 1itw h PHE 733 Ca 0.13 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1itw h PHE 733 Cb 0.69 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1itw h PHE 733 CO 0.05 0.82 0.35 -0.91 -2.23 0.00 0.00 178.31 176.39 1itw h ASN 734 N 0.25 0.60 -0.06 0.41 2.35 -1.19 -2.25 115.58 115.69 1itw h ASN 734 Ca 0.05 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1itw h ASN 734 Cb 0.67 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1itw h ASN 734 CO 0.04 0.43 -0.19 0.00 -1.65 0.00 0.00 177.43 176.07 1itw h ALA 735 N 1.21 1.23 -0.13 -0.83 0.00 -1.11 -2.76 119.26 116.87 1itw h ALA 735 Ca 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1itw h ALA 735 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1itw h ALA 735 CO -0.05 0.50 -0.00 0.00 0.00 0.00 0.00 179.25 179.70 1itw h ALA 736 N 1.41 1.77 -0.02 0.00 0.00 -0.49 -2.21 119.26 119.72 1itw h ALA 736 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1itw h ALA 736 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1itw h ALA 736 CO 0.04 0.18 -0.19 1.28 0.00 0.00 0.00 179.25 180.56 1itw n LEU 737 N -4.43 1.88 -0.29 0.00 4.77 -1.06 -4.49 117.00 113.39 1itw n LEU 737 Ca -0.01 -0.63 0.08 0.00 -0.03 0.00 0.00 56.01 55.42 1itw n LEU 737 Cb 0.15 -0.03 0.24 0.00 -2.33 0.00 0.00 43.42 41.45 1itw n LEU 737 CO 0.36 0.33 1.08 0.00 -1.33 0.00 0.00 177.39 177.82 1itw h ALA 738 N 4.15 1.28 -0.01 -1.18 0.00 -1.19 -0.66 119.26 121.65 1itw h ALA 738 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1itw h ALA 738 Cb 0.69 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1itw h ALA 738 CO 0.00 -0.16 0.04 -1.35 0.00 0.00 0.00 179.25 177.78 1itw h PRO 739 N 0.55 0.00 0.00 0.00 0.11 -1.79 -1.88 132.00 128.99 1itw h PRO 739 Ca 0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.51 1itw h PRO 739 Cb 0.74 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1itw h PRO 739 CO -0.40 0.00 -0.35 -0.07 -0.21 0.00 0.00 178.00 176.96 1itw h LEU 740 N 0.00 0.00 0.00 2.35 3.38 -1.44 -3.53 115.31 116.06 1itw h LEU 740 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1itw h LEU 740 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1itw h LEU 740 CO -0.00 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.88