#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwo s GLU 2 N 0.00 0.12 -0.73 2.12 2.12 0.59 -4.96 118.70 117.96 1iwo s GLU 2 Ca 0.00 0.09 -0.26 0.00 0.36 0.00 0.00 54.97 55.17 1iwo s GLU 2 Cb 0.00 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 1iwo s GLU 2 CO 0.00 -0.22 1.93 0.00 -0.54 0.00 0.00 175.26 176.43 1iwo s ALA 3 N 2.85 1.91 -0.43 6.30 0.00 -1.26 -4.69 121.76 126.44 1iwo s ALA 3 Ca 0.27 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1iwo s ALA 3 Cb -0.01 -4.41 0.25 0.00 0.00 0.00 0.00 23.12 18.95 1iwo s ALA 3 CO -0.22 -4.33 0.56 0.00 0.00 0.00 0.00 175.76 171.77 1iwo n ALA 4 N 13.48 2.70 1.27 0.00 0.00 -1.26 -4.78 120.51 131.92 1iwo n ALA 4 Ca 0.29 -3.63 0.13 0.00 0.00 0.00 0.00 53.44 50.24 1iwo n ALA 4 Cb 0.50 -0.83 0.33 0.00 0.00 0.00 0.00 19.45 19.46 1iwo n ALA 4 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1iwo n HIS 5 N 1.31 0.00 -0.10 0.00 1.44 -1.26 -3.76 115.22 112.85 1iwo n HIS 5 Ca 0.23 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.82 1iwo n HIS 5 Cb 0.51 -0.01 -0.15 0.00 0.12 0.00 0.00 29.99 30.45 1iwo n HIS 5 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1iwo n SER 6 N 0.45 0.36 -4.79 4.39 7.64 -1.24 -1.82 113.62 118.60 1iwo n SER 6 Ca 0.16 0.01 -0.34 0.00 1.01 0.00 0.00 58.87 59.71 1iwo n SER 6 Cb 0.44 0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 64.33 1iwo n SER 6 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1iwo s LYS 7 N -2.50 3.65 0.91 1.43 -0.14 -1.25 -4.58 119.74 117.26 1iwo s LYS 7 Ca -0.13 1.37 -0.14 0.00 -1.36 0.00 0.00 55.97 55.71 1iwo s LYS 7 Cb 0.07 -2.07 0.15 0.00 -1.68 0.00 0.00 37.83 34.29 1iwo s LYS 7 CO 0.80 -0.56 1.21 -1.54 -0.76 0.00 0.00 175.35 174.50 1iwo s SER 8 N -2.09 3.56 0.26 2.83 1.04 -1.26 -4.81 113.70 113.22 1iwo s SER 8 Ca 0.67 0.64 -0.05 0.00 0.48 0.00 0.00 55.95 57.70 1iwo s SER 8 Cb -0.17 -0.99 0.32 0.00 0.10 0.00 0.00 66.02 65.28 1iwo s SER 8 CO 0.24 -2.49 1.94 0.74 0.98 0.00 0.00 173.24 174.65 1iwo h THR 9 N -1.46 1.24 0.46 2.02 2.02 -1.91 -0.33 112.91 114.94 1iwo h THR 9 Ca -0.46 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1iwo h THR 9 Cb 1.30 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1iwo h THR 9 CO 0.54 0.24 -0.22 -0.33 0.37 0.00 0.00 175.52 176.11 1iwo h GLU 10 N 1.29 -0.59 -1.54 6.66 3.07 -1.99 -1.83 114.58 119.65 1iwo h GLU 10 Ca 0.36 0.04 0.47 0.00 -0.50 0.00 0.00 59.36 59.73 1iwo h GLU 10 Cb -0.13 0.13 -0.10 0.00 -0.84 0.00 0.00 28.75 27.82 1iwo h GLU 10 CO -0.08 -0.39 1.06 0.93 -1.40 0.00 0.00 179.01 179.12 1iwo h GLU 11 N -0.91 0.05 0.00 2.33 5.08 -1.89 0.54 114.58 119.78 1iwo h GLU 11 Ca -0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1iwo h GLU 11 Cb 0.47 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1iwo h GLU 11 CO 0.10 0.03 -0.00 0.00 -1.00 0.00 0.00 179.01 178.14 1iwo h LEU 13 N -0.85 0.00 0.26 0.00 3.38 0.04 -2.42 115.31 115.72 1iwo h LEU 13 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1iwo h LEU 13 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1iwo h LEU 13 CO 0.00 0.02 -0.13 0.00 0.09 0.00 0.00 178.44 178.43 1iwo h ALA 14 N 1.98 -0.63 -0.95 1.53 0.00 0.05 0.56 119.26 121.79 1iwo h ALA 14 Ca -0.00 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.99 1iwo h ALA 14 Cb 0.07 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 17.84 1iwo h ALA 14 CO 0.00 -0.61 -0.34 0.98 0.00 0.00 0.00 179.25 179.29 1iwo n TYR 15 N -3.55 0.12 0.49 0.00 4.19 -0.07 0.12 117.16 118.45 1iwo n TYR 15 Ca -0.04 1.17 0.12 0.00 3.31 0.00 0.00 57.90 62.46 1iwo n TYR 15 Cb 0.14 -0.91 0.26 0.00 0.49 0.00 0.00 39.34 39.32 1iwo n TYR 15 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1iwo h PHE 16 N 0.00 0.00 -5.44 2.98 -1.00 -1.55 -3.49 116.94 108.44 1iwo h PHE 16 Ca 0.37 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.10 1iwo h PHE 16 Cb 0.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.17 1iwo h PHE 16 CO -0.81 0.00 -0.69 0.41 -1.61 0.00 0.00 178.31 175.61 1iwo n GLY 17 N 1.26 -1.63 3.23 -1.45 0.00 0.31 -5.05 105.19 101.87 1iwo n GLY 17 Ca 0.04 1.08 -0.09 0.00 0.00 0.00 0.00 46.02 47.05 1iwo n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwo s VAL 18 N -2.26 0.12 -0.33 1.61 1.01 -0.40 -5.01 120.40 115.14 1iwo s VAL 18 Ca 0.22 -1.47 -0.05 0.00 0.00 0.00 0.00 61.98 60.67 1iwo s VAL 18 Cb -0.05 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.70 1iwo s VAL 18 CO 0.76 -0.53 0.08 -0.55 0.00 0.00 0.00 175.10 174.86 1iwo s SER 19 N -2.94 5.23 0.60 3.32 0.15 -1.26 -4.81 113.70 113.98 1iwo s SER 19 Ca 0.13 -1.17 0.28 0.00 0.70 0.00 0.00 55.95 55.90 1iwo s SER 19 Cb 0.05 -1.83 1.37 0.00 -1.71 0.00 0.00 66.02 63.90 1iwo s SER 19 CO -0.05 -0.31 1.77 -0.08 1.20 0.00 0.00 173.24 175.78 1iwo h GLU 20 N 8.17 0.00 0.13 5.44 4.81 -1.98 1.01 114.58 132.17 1iwo h GLU 20 Ca -0.23 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.65 1iwo h GLU 20 Cb 1.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1iwo h GLU 20 CO 0.59 0.00 -1.86 1.79 -0.73 0.00 0.00 179.01 178.79 1iwo h THR 21 N 0.00 0.78 0.00 0.32 1.35 -1.98 -3.43 112.91 109.95 1iwo h THR 21 Ca 0.26 -2.46 -0.02 0.00 -0.55 0.00 0.00 66.41 63.65 1iwo h THR 21 Cb 1.51 2.60 -0.00 0.00 -1.73 0.00 0.00 68.15 70.53 1iwo h THR 21 CO -0.00 0.85 -0.93 0.35 -0.25 0.00 0.00 175.52 175.54 1iwo n THR 22 N -3.48 1.48 0.00 6.82 -2.24 -0.10 -5.01 114.28 111.75 1iwo n THR 22 Ca -0.27 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1iwo n THR 22 Cb 1.06 -2.34 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1iwo n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwo n GLY 23 N 1.49 -0.27 3.75 3.38 0.00 0.33 -1.76 105.19 112.12 1iwo n GLY 23 Ca -0.14 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.24 1iwo n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwo s LEU 24 N 0.00 4.62 0.38 0.99 1.43 -1.26 -3.97 118.68 120.87 1iwo s LEU 24 Ca 0.00 2.04 -0.25 0.00 -1.03 0.00 0.00 54.13 54.89 1iwo s LEU 24 Cb 0.00 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 1iwo s LEU 24 CO 0.00 0.08 1.07 0.42 0.23 0.00 0.00 176.35 178.15 1iwo s THR 25 N -1.18 3.61 0.65 5.49 -4.23 -1.26 -0.69 115.64 118.03 1iwo s THR 25 Ca 0.42 1.31 0.11 0.00 -1.18 0.00 0.00 61.69 62.35 1iwo s THR 25 Cb -0.28 -3.72 0.13 0.00 1.34 0.00 0.00 72.50 69.97 1iwo s THR 25 CO 0.35 0.08 1.26 1.55 -0.54 0.00 0.00 174.62 177.32 1iwo h PRO 26 N 2.75 0.00 0.08 3.99 0.13 -1.95 0.44 132.00 137.44 1iwo h PRO 26 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1iwo h PRO 26 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iwo h PRO 26 CO 0.63 0.00 -0.04 0.22 -0.23 0.00 0.00 178.00 178.58 1iwo h ASP 27 N 0.00 -0.09 -0.56 1.44 3.58 -2.01 -3.20 116.42 115.58 1iwo h ASP 27 Ca 0.07 -0.44 0.16 0.00 0.42 0.00 0.00 57.03 57.25 1iwo h ASP 27 Cb 1.82 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.87 1iwo h ASP 27 CO -0.00 0.57 0.43 1.56 -2.88 0.00 0.00 179.24 178.92 1iwo h GLN 28 N -0.94 0.00 0.53 0.28 4.20 -0.48 0.48 115.11 119.18 1iwo h GLN 28 Ca -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1iwo h GLN 28 Cb 0.53 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.31 1iwo h GLN 28 CO 0.02 0.00 -0.26 0.28 -0.67 0.00 0.00 178.83 178.20 1iwo h VAL 29 N 0.00 0.46 0.24 -0.54 2.07 -1.49 0.61 116.25 117.60 1iwo h VAL 29 Ca 0.26 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1iwo h VAL 29 Cb 1.13 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1iwo h VAL 29 CO -0.00 0.02 -0.28 0.11 0.02 0.00 0.00 177.57 177.44 1iwo h LYS 30 N -0.79 -0.54 -0.30 1.57 1.57 -1.11 0.39 116.57 117.36 1iwo h LYS 30 Ca -0.07 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1iwo h LYS 30 Cb 0.58 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.94 1iwo h LYS 30 CO 0.12 -0.36 -0.29 -0.09 -0.57 0.00 0.00 179.45 178.26 1iwo h ARG 31 N -0.56 -0.26 -0.38 3.15 9.65 -0.85 -0.72 114.38 124.41 1iwo h ARG 31 Ca 0.00 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.82 1iwo h ARG 31 Cb 0.54 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1iwo h ARG 31 CO -0.08 -0.17 -0.05 0.45 2.80 0.00 0.00 179.97 182.91 1iwo h HIS 32 N -0.27 0.78 -0.01 2.20 3.86 0.41 -1.87 115.15 120.26 1iwo h HIS 32 Ca 0.15 -0.15 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1iwo h HIS 32 Cb 0.51 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.73 1iwo h HIS 32 CO -0.46 0.83 -0.32 1.25 0.86 0.00 0.00 177.93 180.09 1iwo h LEU 33 N 0.52 -0.95 -1.20 2.43 5.85 0.17 0.50 115.31 122.63 1iwo h LEU 33 Ca 0.10 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1iwo h LEU 33 Cb 0.55 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1iwo h LEU 33 CO 0.03 -0.38 0.00 -0.33 -0.34 0.00 0.00 178.44 177.42 1iwo h GLU 34 N -0.46 0.00 0.00 1.25 3.07 -1.12 1.03 114.58 118.35 1iwo h GLU 34 Ca 0.06 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 1iwo h GLU 34 Cb 0.55 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1iwo h GLU 34 CO -0.27 0.00 -0.56 -0.22 -1.40 0.00 0.00 179.01 176.55 1iwo h LYS 35 N 0.00 0.00 0.00 2.33 3.11 -0.26 -3.43 116.57 118.31 1iwo h LYS 35 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1iwo h LYS 35 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1iwo h LYS 35 CO 0.00 0.70 -0.14 1.88 -2.81 0.00 0.00 179.45 179.08 1iwo h TYR 36 N -1.00 0.00 0.00 1.91 -1.99 0.07 -3.51 116.97 112.45 1iwo h TYR 36 Ca -0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1iwo h TYR 36 Cb 0.90 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.63 1iwo h TYR 36 CO 0.09 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.66 1iwo n GLY 37 N 1.72 1.55 3.75 3.88 0.00 0.36 -5.04 105.19 111.41 1iwo n GLY 37 Ca -0.02 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1iwo n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iwo s HIS 38 N -1.25 3.15 -1.12 1.61 3.76 -1.26 -4.80 115.29 115.38 1iwo s HIS 38 Ca 0.00 1.30 -0.21 0.00 -0.15 0.00 0.00 55.06 56.00 1iwo s HIS 38 Cb 0.00 -3.65 0.06 0.00 1.11 0.00 0.00 32.58 30.10 1iwo s HIS 38 CO 0.00 -1.92 1.54 1.21 -0.85 0.00 0.00 174.74 174.72 1iwo s ASN 39 N -0.07 6.63 -0.04 1.40 2.47 -0.68 -4.54 114.94 120.09 1iwo s ASN 39 Ca 0.53 -1.83 -0.30 0.00 0.42 0.00 0.00 52.86 51.69 1iwo s ASN 39 Cb -0.38 -2.57 0.11 0.00 -1.45 0.00 0.00 41.25 36.96 1iwo s ASN 39 CO 0.45 -1.37 0.94 -1.83 -3.72 0.00 0.00 177.10 171.57 1iwo s GLU 40 N 4.63 0.73 0.04 0.43 -1.05 -1.26 -4.12 118.70 118.10 1iwo s GLU 40 Ca 0.48 -0.24 -0.21 0.00 -0.15 0.00 0.00 54.97 54.85 1iwo s GLU 40 Cb 0.01 0.34 -0.06 0.00 -0.44 0.00 0.00 34.13 33.98 1iwo s GLU 40 CO -0.04 -0.31 0.61 -0.51 0.95 0.00 0.00 175.26 175.96 1iwo s LEU 41 N -2.35 4.48 -0.32 1.83 1.02 -1.26 -4.35 118.68 117.73 1iwo s LEU 41 Ca 0.05 1.25 -0.36 0.00 0.02 0.00 0.00 54.13 55.09 1iwo s LEU 41 Cb -0.01 -2.96 -0.12 0.00 0.02 0.00 0.00 46.19 43.12 1iwo s LEU 41 CO -0.08 0.17 2.08 -0.81 0.02 0.00 0.00 176.35 177.74 1iwo n PRO 42 N 2.25 1.14 -2.65 1.29 -0.04 -1.26 -4.87 135.00 130.86 1iwo n PRO 42 Ca -0.08 0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 63.30 1iwo n PRO 42 Cb 0.51 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 1iwo n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iwo s ALA 43 N 6.29 3.67 -0.06 0.55 0.00 -1.26 -5.02 121.76 125.93 1iwo s ALA 43 Ca 1.07 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 1iwo s ALA 43 Cb -0.91 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 18.70 1iwo s ALA 43 CO 0.53 -1.02 0.13 -2.00 0.00 0.00 0.00 175.76 173.40 1iwo s GLU 44 N 3.12 0.08 -0.22 0.00 -6.30 -1.26 -4.97 118.70 109.15 1iwo s GLU 44 Ca 0.45 0.33 0.08 0.00 -2.50 0.00 0.00 54.97 53.33 1iwo s GLU 44 Cb -0.16 -0.17 0.26 0.00 0.00 0.00 0.00 34.13 34.06 1iwo s GLU 44 CO 0.07 -0.16 1.23 0.39 0.02 0.00 0.00 175.26 176.82 1iwo n GLU 45 N 4.13 0.87 -0.44 4.30 4.71 -1.26 -5.02 120.64 127.94 1iwo n GLU 45 Ca -0.26 -0.93 -0.13 0.00 -0.01 0.00 0.00 57.16 55.84 1iwo n GLU 45 Cb 0.52 0.37 -0.01 0.00 -1.01 0.00 0.00 31.44 31.31 1iwo n GLU 45 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iwo n GLY 46 N -1.00 2.49 2.98 0.62 0.00 -1.26 -4.66 105.19 104.37 1iwo n GLY 46 Ca -0.16 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 1iwo n GLY 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iwo n LYS 47 N 4.44 2.38 -2.09 1.61 4.81 -1.26 -5.08 118.16 122.97 1iwo n LYS 47 Ca 0.26 -4.50 -0.38 0.00 -0.87 0.00 0.00 58.31 52.82 1iwo n LYS 47 Cb 0.09 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 32.78 1iwo n LYS 47 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1iwo s SER 48 N -0.87 6.01 0.25 3.14 1.04 -1.26 -4.82 113.70 117.20 1iwo s SER 48 Ca 0.28 2.51 -0.03 0.00 0.48 0.00 0.00 55.95 59.19 1iwo s SER 48 Cb -0.04 -2.62 0.50 0.00 0.10 0.00 0.00 66.02 63.95 1iwo s SER 48 CO -0.13 -1.04 1.74 0.25 0.98 0.00 0.00 173.24 175.04 1iwo h LEU 49 N 2.11 0.36 0.13 2.42 6.46 -1.98 0.47 115.31 125.28 1iwo h LEU 49 Ca -0.50 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.36 1iwo h LEU 49 Cb 1.26 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1iwo h LEU 49 CO 0.60 0.14 -0.10 -0.25 -0.62 0.00 0.00 178.44 178.21 1iwo h TRP 50 N 0.50 -0.27 -1.00 1.25 -0.00 -2.01 -1.62 115.95 112.80 1iwo h TRP 50 Ca 0.44 -0.00 0.25 0.00 -0.00 0.00 0.00 58.89 59.57 1iwo h TRP 50 Cb 0.66 0.10 -0.08 0.00 -0.00 0.00 0.00 29.16 29.84 1iwo h TRP 50 CO -0.14 -0.14 0.66 0.93 -0.00 0.00 0.00 178.44 179.75 1iwo h GLU 51 N -0.22 0.35 0.57 2.65 5.08 -1.87 -1.64 114.58 119.50 1iwo h GLU 51 Ca -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1iwo h GLU 51 Cb 0.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1iwo h GLU 51 CO 0.01 0.23 -0.48 1.25 -1.00 0.00 0.00 179.01 179.02 1iwo h LEU 52 N 0.36 -1.28 -1.63 1.33 5.85 0.37 0.16 115.31 120.47 1iwo h LEU 52 Ca 0.54 0.09 0.10 0.00 0.84 0.00 0.00 57.88 59.45 1iwo h LEU 52 Cb 1.44 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 42.84 1iwo h LEU 52 CO -0.23 -0.67 0.40 0.58 -0.34 0.00 0.00 178.44 178.19 1iwo h VAL 53 N -1.03 0.90 -0.31 1.05 2.07 -0.36 -1.81 116.25 116.76 1iwo h VAL 53 Ca -0.07 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1iwo h VAL 53 Cb 0.87 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1iwo h VAL 53 CO -0.01 0.08 -0.18 0.40 0.02 0.00 0.00 177.57 177.87 1iwo h ILE 54 N 0.42 1.30 -0.48 4.57 1.08 -0.95 -2.42 117.51 121.03 1iwo h ILE 54 Ca 0.28 -1.31 0.14 0.00 -0.39 0.00 0.00 64.86 63.58 1iwo h ILE 54 Cb 0.53 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 1iwo h ILE 54 CO -0.08 0.42 0.50 -0.33 -0.69 0.00 0.00 178.15 177.97 1iwo h GLU 55 N 0.42 0.00 -1.32 2.37 5.08 0.19 0.16 114.58 121.48 1iwo h GLU 55 Ca 0.06 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.12 1iwo h GLU 55 Cb 0.72 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.83 1iwo h GLU 55 CO 0.05 0.00 0.39 1.04 -1.00 0.00 0.00 179.01 179.49 1iwo n GLN 56 N -3.74 1.74 -1.04 2.33 1.13 -0.91 -3.82 117.38 113.07 1iwo n GLN 56 Ca 0.09 -1.54 -0.06 0.00 -1.94 0.00 0.00 57.00 53.55 1iwo n GLN 56 Cb 0.69 -1.60 -0.06 0.00 0.11 0.00 0.00 30.24 29.38 1iwo n GLN 56 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1iwo n PHE 57 N 0.09 0.00 -0.02 1.08 3.72 0.57 -4.70 117.46 118.19 1iwo n PHE 57 Ca 0.30 -0.48 0.04 0.00 -0.05 0.00 0.00 57.45 57.26 1iwo n PHE 57 Cb 0.76 0.42 -0.11 0.00 -0.94 0.00 0.00 39.48 39.61 1iwo n PHE 57 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1iwo n GLU 58 N 0.05 0.76 -1.98 -1.08 2.13 -1.25 -4.78 120.64 114.49 1iwo n GLU 58 Ca -0.23 -0.11 -0.43 0.00 0.66 0.00 0.00 57.16 57.05 1iwo n GLU 58 Cb 0.74 -1.35 -0.03 0.00 0.27 0.00 0.00 31.44 31.07 1iwo n GLU 58 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1iwo s ASP 59 N -3.95 5.97 0.18 4.31 2.15 -1.26 -4.89 116.67 119.18 1iwo s ASP 59 Ca -0.06 1.45 -0.01 0.00 0.43 0.00 0.00 52.55 54.37 1iwo s ASP 59 Cb 0.08 -2.53 0.40 0.00 -0.30 0.00 0.00 42.92 40.57 1iwo s ASP 59 CO 0.61 -1.62 0.93 0.18 -0.17 0.00 0.00 175.17 175.10 1iwo n LEU 60 N 9.95 -0.11 0.22 -1.34 4.77 -1.26 -0.54 117.00 128.69 1iwo n LEU 60 Ca 0.23 1.01 -0.16 0.00 -0.03 0.00 0.00 56.01 57.06 1iwo n LEU 60 Cb 0.46 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1iwo n LEU 60 CO 0.68 -1.01 0.59 -0.07 -1.33 0.00 0.00 177.39 176.25 1iwo h LEU 61 N 0.00 -1.15 -2.28 2.23 3.38 -1.90 0.90 115.31 116.50 1iwo h LEU 61 Ca 0.34 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1iwo h LEU 61 Cb 0.65 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1iwo h LEU 61 CO -0.58 -0.55 -0.05 -0.37 0.09 0.00 0.00 178.44 176.99 1iwo h VAL 62 N -0.80 0.50 -0.02 1.22 -1.51 -1.21 -1.78 116.25 112.66 1iwo h VAL 62 Ca -0.02 -0.21 -0.14 0.00 -1.23 0.00 0.00 66.70 65.10 1iwo h VAL 62 Cb 0.73 1.14 0.01 0.00 -2.13 0.00 0.00 31.29 31.04 1iwo h VAL 62 CO -0.11 0.05 -0.53 0.03 -1.23 0.00 0.00 177.57 175.78 1iwo h ARG 63 N 0.00 0.39 -0.48 5.19 3.08 -0.18 -2.78 114.38 119.60 1iwo h ARG 63 Ca -0.00 -0.40 0.06 0.00 0.07 0.00 0.00 59.98 59.71 1iwo h ARG 63 Cb 0.14 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 1iwo h ARG 63 CO 0.01 1.06 0.20 0.82 -1.07 0.00 0.00 179.97 180.99 1iwo h ILE 64 N -0.12 0.89 -0.97 2.04 1.08 0.16 -0.92 117.51 119.67 1iwo h ILE 64 Ca -0.06 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.32 1iwo h ILE 64 Cb 1.23 0.45 -0.06 0.00 -3.07 0.00 0.00 36.82 35.38 1iwo h ILE 64 CO 0.11 0.07 0.63 -0.07 -0.69 0.00 0.00 178.15 178.20 1iwo h LEU 65 N 0.40 1.04 0.42 1.44 3.38 -1.40 -0.16 115.31 120.42 1iwo h LEU 65 Ca 0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1iwo h LEU 65 Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1iwo h LEU 65 CO -0.20 0.69 -0.44 0.25 0.09 0.00 0.00 178.44 178.84 1iwo h LEU 66 N 1.19 -1.20 -2.23 1.67 5.85 -0.90 1.23 115.31 120.92 1iwo h LEU 66 Ca 0.40 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.26 1iwo h LEU 66 Cb 0.06 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1iwo h LEU 66 CO -0.13 -0.57 0.23 0.25 -0.34 0.00 0.00 178.44 177.88 1iwo h LEU 67 N -0.86 0.00 0.00 2.25 5.85 -1.14 0.94 115.31 122.36 1iwo h LEU 67 Ca -0.05 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1iwo h LEU 67 Cb 0.75 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1iwo h LEU 67 CO -0.06 0.00 -0.25 0.00 -0.34 0.00 0.00 178.44 177.79 1iwo h ALA 68 N 1.70 0.87 0.00 1.25 0.00 0.12 -3.08 119.26 120.12 1iwo h ALA 68 Ca 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1iwo h ALA 68 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1iwo h ALA 68 CO -0.00 0.16 -0.65 0.00 0.00 0.00 0.00 179.25 178.76 1iwo h ALA 69 N 1.88 0.71 0.14 0.00 0.00 0.91 -3.13 119.26 119.77 1iwo h ALA 69 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1iwo h ALA 69 Cb 1.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1iwo h ALA 69 CO 0.01 0.20 -0.07 0.00 0.00 0.00 0.00 179.25 179.40 1iwo h ILE 71 N -0.43 0.00 -0.75 0.00 1.08 -1.70 0.94 117.51 116.65 1iwo h ILE 71 Ca -0.02 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.61 1iwo h ILE 71 Cb 0.15 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.76 1iwo h ILE 71 CO 0.03 0.00 -0.15 -1.28 -0.69 0.00 0.00 178.15 176.06 1iwo h SER 72 N -0.00 -0.63 -0.74 1.72 0.87 -1.64 1.21 113.55 114.34 1iwo h SER 72 Ca 0.12 0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.92 1iwo h SER 72 Cb 0.30 0.44 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 1iwo h SER 72 CO -0.68 -0.24 0.49 0.15 -0.53 0.00 0.00 176.83 176.02 1iwo h PHE 73 N 0.02 0.89 0.00 2.24 3.57 0.26 -1.79 116.94 122.13 1iwo h PHE 73 Ca 0.37 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 1iwo h PHE 73 Cb 0.59 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1iwo h PHE 73 CO -0.56 0.54 -0.75 0.28 -2.23 0.00 0.00 178.31 175.58 1iwo h VAL 74 N 0.94 0.19 0.00 1.41 2.07 0.41 -3.28 116.25 117.99 1iwo h VAL 74 Ca 0.28 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.39 1iwo h VAL 74 Cb -0.01 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1iwo h VAL 74 CO -0.07 0.11 -0.48 -0.07 0.02 0.00 0.00 177.57 177.08 1iwo h LEU 75 N 0.00 0.00 -0.79 2.57 4.07 0.21 -2.69 115.31 118.67 1iwo h LEU 75 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1iwo h LEU 75 Cb 1.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1iwo h LEU 75 CO 0.02 0.48 0.00 0.00 -1.08 0.00 0.00 178.44 177.85 1iwo n ALA 76 N -2.30 2.54 -0.02 1.53 0.00 -0.75 -2.97 120.51 118.54 1iwo n ALA 76 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.07 1iwo n ALA 76 Cb 0.60 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 1iwo n ALA 76 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1iwo n TRP 77 N 0.02 0.00 -3.25 0.00 -0.00 -1.04 -4.73 117.44 108.44 1iwo n TRP 77 Ca 0.15 0.00 -0.38 0.00 -0.00 0.00 0.00 57.50 57.26 1iwo n TRP 77 Cb 0.25 -0.36 -0.02 0.00 -0.00 0.00 0.00 31.31 31.17 1iwo n TRP 77 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1iwo n PHE 78 N -2.06 3.28 -3.76 5.87 3.01 -1.05 -4.99 117.46 117.76 1iwo n PHE 78 Ca -0.06 -3.37 -0.13 0.00 1.01 0.00 0.00 57.45 54.90 1iwo n PHE 78 Cb 0.46 -1.14 -0.09 0.00 -0.01 0.00 0.00 39.48 38.70 1iwo n PHE 78 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1iwo s GLU 79 N -2.30 0.56 -0.05 -1.08 2.02 -1.26 -4.97 118.70 111.62 1iwo s GLU 79 Ca 0.32 0.04 -0.04 0.00 0.02 0.00 0.00 54.97 55.32 1iwo s GLU 79 Cb 0.03 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.48 1iwo s GLU 79 CO 0.02 -0.13 0.13 -1.83 0.02 0.00 0.00 175.26 173.46 1iwo s GLU 80 N -0.78 3.31 0.00 1.61 -1.05 -1.26 -4.88 118.70 115.66 1iwo s GLU 80 Ca -0.09 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 1iwo s GLU 80 Cb -0.04 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.60 1iwo s GLU 80 CO 0.03 0.71 0.00 0.41 0.95 0.00 0.00 175.26 177.36 1iwo n GLY 81 N 1.47 2.83 0.13 -3.83 0.00 -1.26 -4.75 105.19 99.78 1iwo n GLY 81 Ca -0.15 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 43.98 1iwo n GLY 81 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1iwo h GLU 82 N 0.00 0.00 -0.65 1.61 9.09 -2.07 -3.07 114.58 119.49 1iwo h GLU 82 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1iwo h GLU 82 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1iwo h GLU 82 CO 0.00 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.45 1iwo n GLU 83 N -2.37 3.39 0.00 1.06 4.71 -1.26 -4.15 120.64 122.02 1iwo n GLU 83 Ca 0.04 -2.20 0.12 0.00 -0.01 0.00 0.00 57.16 55.12 1iwo n GLU 83 Cb 0.36 -1.88 0.67 0.00 -1.01 0.00 0.00 31.44 29.58 1iwo n GLU 83 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1iwo n THR 84 N 0.64 0.14 0.20 2.62 5.66 -1.16 -2.52 114.28 119.86 1iwo n THR 84 Ca 0.20 0.04 0.11 0.00 -3.05 0.00 0.00 64.05 61.35 1iwo n THR 84 Cb 0.80 -0.63 -0.01 0.00 -1.55 0.00 0.00 70.33 68.94 1iwo n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iwo n ILE 85 N -1.19 0.43 1.94 1.09 0.13 -1.26 -3.76 119.36 116.74 1iwo n ILE 85 Ca 0.14 -0.47 0.09 0.00 -1.10 0.00 0.00 62.75 61.41 1iwo n ILE 85 Cb 0.16 -0.18 0.50 0.00 -0.84 0.00 0.00 39.64 39.28 1iwo n ILE 85 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 1iwo n THR 86 N -2.45 0.02 1.09 9.51 -1.04 -1.05 -3.07 114.28 117.29 1iwo n THR 86 Ca -0.00 -0.03 0.12 0.00 -2.04 0.00 0.00 64.05 62.10 1iwo n THR 86 Cb 0.53 -0.22 0.18 0.00 -1.82 0.00 0.00 70.33 69.00 1iwo n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwo n ALA 87 N -0.68 3.59 1.72 2.41 0.00 -1.25 -4.07 120.51 122.23 1iwo n ALA 87 Ca 0.13 -0.48 0.14 0.00 0.00 0.00 0.00 53.44 53.23 1iwo n ALA 87 Cb 0.08 -1.00 0.67 0.00 0.00 0.00 0.00 19.45 19.20 1iwo n ALA 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iwo n PHE 88 N -0.87 0.03 0.27 0.00 0.99 -1.17 -4.06 117.46 112.64 1iwo n PHE 88 Ca 0.08 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.45 57.41 1iwo n PHE 88 Cb 0.37 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.79 1iwo n PHE 88 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1iwo h VAL 89 N 1.12 0.00 -0.93 -4.37 2.07 -1.83 -2.58 116.25 109.73 1iwo h VAL 89 Ca 0.00 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.27 1iwo h VAL 89 Cb 0.24 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.90 1iwo h VAL 89 CO 0.00 0.00 -0.55 1.21 0.02 0.00 0.00 177.57 178.25 1iwo n GLU 90 N -4.91 -0.41 0.13 1.57 2.13 -1.26 -0.33 120.64 117.56 1iwo n GLU 90 Ca -0.09 1.47 -0.13 0.00 0.66 0.00 0.00 57.16 59.07 1iwo n GLU 90 Cb 0.29 -2.17 -0.07 0.00 0.27 0.00 0.00 31.44 29.76 1iwo n GLU 90 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1iwo h PRO 91 N 0.00 -0.29 -0.98 5.31 0.13 -1.78 -1.89 132.00 132.51 1iwo h PRO 91 Ca 0.15 0.02 0.21 0.00 -0.87 0.00 0.00 66.00 65.51 1iwo h PRO 91 Cb 0.38 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 31.49 1iwo h PRO 91 CO -0.88 -0.19 0.62 0.35 -0.23 0.00 0.00 178.00 177.67 1iwo h PHE 92 N -0.30 0.81 0.16 1.56 3.57 -0.92 -1.46 116.94 120.37 1iwo h PHE 92 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1iwo h PHE 92 Cb 0.27 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1iwo h PHE 92 CO -0.10 0.18 -0.08 0.28 -2.23 0.00 0.00 178.31 176.35 1iwo h VAL 93 N 0.58 0.00 0.00 1.41 2.07 0.05 -0.92 116.25 119.44 1iwo h VAL 93 Ca 0.54 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 68.06 1iwo h VAL 93 Cb 1.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1iwo h VAL 93 CO -0.29 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 176.92 1iwo n ILE 94 N -2.60 0.00 -0.36 4.57 5.41 -0.70 0.35 119.36 126.04 1iwo n ILE 94 Ca -0.03 1.02 0.31 0.00 1.00 0.00 0.00 62.75 65.06 1iwo n ILE 94 Cb 0.08 -1.42 0.57 0.00 -0.71 0.00 0.00 39.64 38.17 1iwo n ILE 94 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1iwo h LEU 95 N 0.00 0.35 -0.75 1.39 3.38 -1.38 0.88 115.31 119.19 1iwo h LEU 95 Ca 0.00 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1iwo h LEU 95 Cb 0.00 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1iwo h LEU 95 CO 0.00 -0.29 0.47 0.25 0.09 0.00 0.00 178.44 178.96 1iwo h LEU 96 N 0.11 0.89 -0.46 1.67 6.46 0.14 0.44 115.31 124.55 1iwo h LEU 96 Ca 0.81 -0.05 -0.15 0.00 -0.12 0.00 0.00 57.88 58.38 1iwo h LEU 96 Cb 2.18 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.88 1iwo h LEU 96 CO -0.63 0.68 -0.30 0.40 -0.62 0.00 0.00 178.44 177.96 1iwo h ILE 97 N 1.02 1.27 -0.53 4.05 2.04 0.17 0.32 117.51 125.85 1iwo h ILE 97 Ca 0.27 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.62 1iwo h ILE 97 Cb -0.06 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1iwo h ILE 97 CO -0.05 0.50 0.18 -0.07 0.00 0.00 0.00 178.15 178.70 1iwo h LEU 98 N 0.80 0.71 0.34 1.44 3.38 -0.47 -0.60 115.31 120.90 1iwo h LEU 98 Ca 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1iwo h LEU 98 Cb 0.88 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1iwo h LEU 98 CO 0.08 0.66 -0.16 0.40 0.09 0.00 0.00 178.44 179.51 1iwo h ILE 99 N 0.76 0.00 -1.43 1.22 2.04 0.36 -2.72 117.51 117.73 1iwo h ILE 99 Ca 0.18 -0.47 0.41 0.00 1.00 0.00 0.00 64.86 65.98 1iwo h ILE 99 Cb 0.20 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.22 1iwo h ILE 99 CO -0.01 0.00 1.03 0.00 0.00 0.00 0.00 178.15 179.16 1iwo h ALA 100 N -1.32 3.33 0.45 1.87 0.00 -0.37 0.23 119.26 123.45 1iwo h ALA 100 Ca -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1iwo h ALA 100 Cb 0.35 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1iwo h ALA 100 CO 0.08 -1.75 -0.21 -0.97 0.00 0.00 0.00 179.25 176.39 1iwo h ASN 101 N 0.01 -0.51 -0.89 0.00 -1.24 -1.01 -2.85 115.58 109.09 1iwo h ASN 101 Ca 0.68 0.02 0.17 0.00 0.71 0.00 0.00 56.30 57.88 1iwo h ASN 101 Cb 2.72 0.13 -0.10 0.00 0.73 0.00 0.00 38.32 41.80 1iwo h ASN 101 CO -0.02 -0.36 0.46 0.00 -1.29 0.00 0.00 177.43 176.22 1iwo h ALA 102 N -1.71 1.39 -0.19 1.57 0.00 -0.31 -1.77 119.26 118.24 1iwo h ALA 102 Ca -0.06 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1iwo h ALA 102 Cb 0.46 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1iwo h ALA 102 CO 0.10 -0.14 -0.32 0.82 0.00 0.00 0.00 179.25 179.71 1iwo h ILE 103 N 0.60 0.00 -0.71 0.00 2.04 -1.03 -1.02 117.51 117.39 1iwo h ILE 103 Ca 0.51 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.50 1iwo h ILE 103 Cb 0.80 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.79 1iwo h ILE 103 CO -0.41 0.00 0.25 0.58 0.00 0.00 0.00 178.15 178.57 1iwo h VAL 104 N -0.27 0.65 0.00 1.67 2.07 -1.10 0.39 116.25 119.66 1iwo h VAL 104 Ca 0.03 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1iwo h VAL 104 Cb 0.36 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1iwo h VAL 104 CO -0.32 0.07 -0.00 1.23 0.02 0.00 0.00 177.57 178.57 1iwo h GLY 105 N 0.39 0.00 0.95 2.17 0.00 -0.76 -1.99 103.07 103.82 1iwo h GLY 105 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.45 1iwo h GLY 105 CO -0.40 0.00 -1.66 -0.62 0.00 0.00 0.00 176.54 173.86 1iwo n VAL 106 N -3.73 1.49 1.79 4.60 0.31 0.01 -4.00 118.33 118.79 1iwo n VAL 106 Ca -0.03 -0.77 0.14 0.00 -0.01 0.00 0.00 64.34 63.67 1iwo n VAL 106 Cb 0.08 -0.94 0.81 0.00 -0.91 0.00 0.00 33.84 32.88 1iwo n VAL 106 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1iwo n TRP 107 N -2.99 0.00 -0.13 3.52 -0.00 -0.50 -3.27 117.44 114.06 1iwo n TRP 107 Ca -0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.09 1iwo n TRP 107 Cb 1.00 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 32.21 1iwo n TRP 107 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 1iwo n GLN 108 N -0.97 0.59 0.19 5.87 7.27 -1.18 -4.31 117.38 124.84 1iwo n GLN 108 Ca 0.20 0.22 0.12 0.00 0.07 0.00 0.00 57.00 57.61 1iwo n GLN 108 Cb 0.09 -1.47 0.64 0.00 2.41 0.00 0.00 30.24 31.91 1iwo n GLN 108 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1iwo h GLU 109 N -0.66 0.00 -0.20 3.69 4.39 -1.69 0.54 114.58 120.66 1iwo h GLU 109 Ca -0.65 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 58.89 1iwo h GLU 109 Cb 1.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 1iwo h GLU 109 CO -0.31 0.00 -0.50 -0.09 -1.16 0.00 0.00 179.01 176.95 1iwo h ARG 110 N 0.00 0.68 -0.01 2.33 2.43 -1.74 -3.29 114.38 114.78 1iwo h ARG 110 Ca 0.00 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1iwo h ARG 110 Cb 0.09 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1iwo h ARG 110 CO 0.00 1.09 -0.48 0.27 -1.51 0.00 0.00 179.97 179.34 1iwo n ASN 111 N -4.15 1.45 -4.57 -3.80 6.94 -0.51 -4.87 115.26 105.75 1iwo n ASN 111 Ca -0.06 -1.23 -0.26 0.00 -0.02 0.00 0.00 54.58 53.01 1iwo n ASN 111 Cb 0.59 0.62 -0.06 0.00 -2.36 0.00 0.00 39.78 38.57 1iwo n ASN 111 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iwo s ALA 112 N -2.17 1.60 0.36 -2.53 0.00 0.18 -4.95 121.76 114.25 1iwo s ALA 112 Ca 0.12 -1.67 -0.17 0.00 0.00 0.00 0.00 51.96 50.24 1iwo s ALA 112 Cb 0.14 -4.60 -0.10 0.00 0.00 0.00 0.00 23.12 18.56 1iwo s ALA 112 CO 0.51 -5.10 0.81 -1.83 0.00 0.00 0.00 175.76 170.15 1iwo s GLU 113 N 7.01 4.08 0.33 0.00 4.04 -1.26 -4.92 118.70 127.97 1iwo s GLU 113 Ca 0.71 0.83 0.09 0.00 0.04 0.00 0.00 54.97 56.64 1iwo s GLU 113 Cb -0.05 -2.34 -0.05 0.00 0.02 0.00 0.00 34.13 31.71 1iwo s GLU 113 CO 0.05 0.08 0.04 0.54 -1.84 0.00 0.00 175.26 174.13 1iwo s ASN 114 N -2.26 4.31 0.08 0.83 4.22 -1.26 -5.05 114.94 115.81 1iwo s ASN 114 Ca 0.57 -0.92 -0.14 0.00 -2.14 0.00 0.00 52.86 50.23 1iwo s ASN 114 Cb -0.10 -0.59 -0.18 0.00 1.28 0.00 0.00 41.25 41.66 1iwo s ASN 114 CO 0.16 -0.24 1.26 0.00 -2.04 0.00 0.00 177.10 176.24 1iwo h ALA 115 N 1.76 0.24 -0.90 3.54 0.00 -1.90 -3.11 119.26 118.89 1iwo h ALA 115 Ca -0.43 -0.60 0.15 0.00 0.00 0.00 0.00 54.91 54.02 1iwo h ALA 115 Cb 1.25 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1iwo h ALA 115 CO 0.65 0.61 0.58 0.82 0.00 0.00 0.00 179.25 181.92 1iwo h ILE 116 N 0.41 0.82 0.00 0.00 2.04 -1.94 1.04 117.51 119.88 1iwo h ILE 116 Ca -0.07 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1iwo h ILE 116 Cb 1.43 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1iwo h ILE 116 CO 0.16 0.12 -0.03 -0.08 0.00 0.00 0.00 178.15 178.32 1iwo h GLU 117 N 0.68 0.00 0.12 2.37 4.81 -1.94 -2.67 114.58 117.96 1iwo h GLU 117 Ca 0.46 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.42 1iwo h GLU 117 Cb 0.76 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.16 1iwo h GLU 117 CO -0.21 0.03 -1.09 0.00 -0.73 0.00 0.00 179.01 177.01 1iwo h ALA 118 N 1.97 -0.03 -0.59 2.92 0.00 0.11 -3.33 119.26 120.31 1iwo h ALA 118 Ca -0.00 -0.74 0.12 0.00 0.00 0.00 0.00 54.91 54.29 1iwo h ALA 118 Cb 0.10 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.89 1iwo h ALA 118 CO 0.00 0.57 -0.09 -0.07 0.00 0.00 0.00 179.25 179.67 1iwo h LEU 119 N 0.08 -0.44 -1.76 0.00 -0.00 -1.12 0.62 115.31 112.69 1iwo h LEU 119 Ca -0.17 0.16 0.16 0.00 -0.00 0.00 0.00 57.88 58.03 1iwo h LEU 119 Cb 1.80 0.32 -0.02 0.00 -0.00 0.00 0.00 40.66 42.76 1iwo h LEU 119 CO 0.21 -0.16 0.62 0.11 -0.00 0.00 0.00 178.44 179.22 1iwo h LYS 120 N 0.04 0.00 -0.06 1.13 1.57 -1.67 1.30 116.57 118.89 1iwo h LYS 120 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1iwo h LYS 120 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1iwo h LYS 120 CO -0.57 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 178.70 1iwo n GLU 121 N -3.56 1.22 -0.03 3.15 -0.58 0.22 -3.51 120.64 117.55 1iwo n GLU 121 Ca 0.11 -0.33 0.01 0.00 -0.42 0.00 0.00 57.16 56.53 1iwo n GLU 121 Cb 0.82 -1.27 -0.11 0.00 -0.57 0.00 0.00 31.44 30.31 1iwo n GLU 121 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1iwo n TYR 122 N -0.41 0.00 -3.11 -0.32 0.53 0.45 -4.93 117.16 109.37 1iwo n TYR 122 Ca 0.12 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.60 1iwo n TYR 122 Cb 0.13 -0.48 -0.06 0.00 -1.03 0.00 0.00 39.34 37.90 1iwo n TYR 122 CO 0.00 0.00 0.00 -1.83 -1.02 0.00 0.00 176.86 174.01 1iwo s GLU 123 N -2.71 4.11 1.04 -0.72 -1.05 -1.22 -4.16 118.70 113.99 1iwo s GLU 123 Ca -0.06 0.54 -0.17 0.00 -0.15 0.00 0.00 54.97 55.14 1iwo s GLU 123 Cb 0.07 -3.65 0.04 0.00 -0.44 0.00 0.00 34.13 30.16 1iwo s GLU 123 CO 0.58 -0.41 0.02 -0.35 0.95 0.00 0.00 175.26 176.06 1iwo n PRO 124 N 5.69 -0.88 -0.00 -4.83 -0.04 -1.26 -4.99 135.00 128.69 1iwo n PRO 124 Ca -0.01 -0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.11 1iwo n PRO 124 Cb 0.49 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.13 1iwo n PRO 124 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1iwo h GLU 125 N -1.74 0.06 -4.50 0.54 4.81 -1.96 -3.42 114.58 108.37 1iwo h GLU 125 Ca -0.48 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 58.45 1iwo h GLU 125 Cb 1.33 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.60 1iwo h GLU 125 CO 0.35 0.70 -0.69 1.41 -0.73 0.00 0.00 179.01 180.05 1iwo s MET 126 N -2.60 0.74 0.05 1.92 1.75 -1.26 -1.89 119.30 118.01 1iwo s MET 126 Ca -0.07 -1.27 -0.10 0.00 -1.25 0.00 0.00 55.69 52.99 1iwo s MET 126 Cb 0.08 -0.06 0.01 0.00 2.84 0.00 0.00 34.83 37.70 1iwo s MET 126 CO 0.82 -0.05 0.22 0.20 -0.65 0.00 0.00 175.02 175.57 1iwo s GLY 127 N -2.95 0.00 -0.25 2.11 0.00 -0.02 -4.51 107.32 101.71 1iwo s GLY 127 Ca 0.09 -0.28 -0.13 0.00 0.00 0.00 0.00 44.72 44.40 1iwo s GLY 127 CO -0.06 -0.47 0.28 0.54 0.00 0.00 0.00 173.10 173.38 1iwo s LYS 128 N -2.88 4.05 0.05 2.90 1.02 -1.26 -1.45 119.74 122.18 1iwo s LYS 128 Ca -0.03 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 55.90 1iwo s LYS 128 Cb 0.00 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 1iwo s LYS 128 CO -0.06 -0.10 -0.08 0.14 -0.92 0.00 0.00 175.35 174.33 1iwo s VAL 129 N 1.54 0.61 -0.38 3.17 -7.23 -0.88 -1.51 120.40 115.72 1iwo s VAL 129 Ca 0.12 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1iwo s VAL 129 Cb -0.15 -0.82 0.09 0.00 0.56 0.00 0.00 36.38 36.06 1iwo s VAL 129 CO 0.08 -0.45 0.14 -0.31 -0.31 0.00 0.00 175.10 174.25 1iwo s TYR 130 N -1.74 3.49 0.14 2.82 4.12 0.12 -3.16 117.35 123.14 1iwo s TYR 130 Ca -0.06 -2.23 -0.07 0.00 0.02 0.00 0.00 57.07 54.73 1iwo s TYR 130 Cb -0.07 -2.89 -0.06 0.00 -1.52 0.00 0.00 41.96 37.42 1iwo s TYR 130 CO -0.00 -0.91 0.41 1.03 0.02 0.00 0.00 175.55 176.10 1iwo s ARG 131 N 1.18 3.69 0.00 -0.62 1.81 -1.26 -4.09 118.95 119.67 1iwo s ARG 131 Ca 0.04 0.06 0.11 0.00 -1.72 0.00 0.00 55.73 54.22 1iwo s ARG 131 Cb -0.22 -2.86 0.51 0.00 -0.45 0.00 0.00 34.95 31.93 1iwo s ARG 131 CO -0.03 0.47 1.27 0.00 -0.68 0.00 0.00 175.30 176.33 1iwo n ALA 132 N 0.30 1.60 1.21 2.13 0.00 0.13 -2.76 120.51 123.12 1iwo n ALA 132 Ca -0.04 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1iwo n ALA 132 Cb 0.52 -1.17 0.09 0.00 0.00 0.00 0.00 19.45 18.89 1iwo n ALA 132 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iwo n ASP 133 N -1.36 1.28 0.00 0.00 3.85 -1.26 -4.89 116.55 114.17 1iwo n ASP 133 Ca 0.04 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 1iwo n ASP 133 Cb 0.10 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 1iwo n ASP 133 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1iwo n ARG 134 N 0.09 0.00 0.00 0.11 1.74 -1.11 -5.08 116.66 112.40 1iwo n ARG 134 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1iwo n ARG 134 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 1iwo n ARG 134 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1iwo n LYS 135 N 0.00 0.00 -0.29 5.56 3.00 -1.26 -4.92 118.16 120.26 1iwo n LYS 135 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 1iwo n LYS 135 Cb 0.00 -0.11 0.18 0.00 0.00 0.00 0.00 35.03 35.09 1iwo n LYS 135 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1iwo n SER 136 N -2.41 -2.88 -4.47 3.14 3.41 -1.26 -4.96 113.62 104.19 1iwo n SER 136 Ca 0.00 -0.65 -0.43 0.00 -0.26 0.00 0.00 58.87 57.53 1iwo n SER 136 Cb 0.04 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.28 1iwo n SER 136 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iwo s VAL 137 N -1.84 5.16 -0.20 -3.33 0.11 -1.26 -4.83 120.40 114.21 1iwo s VAL 137 Ca 0.42 -0.48 -0.12 0.00 -2.93 0.00 0.00 61.98 58.88 1iwo s VAL 137 Cb -0.06 -3.99 -0.05 0.00 -1.53 0.00 0.00 36.38 30.74 1iwo s VAL 137 CO 0.35 -0.38 0.20 0.00 -3.33 0.00 0.00 175.10 171.94 1iwo s GLN 138 N 1.95 4.19 -1.00 1.54 -2.07 -1.19 -4.97 119.66 118.11 1iwo s GLN 138 Ca 0.09 -0.11 -0.11 0.00 -1.82 0.00 0.00 55.36 53.41 1iwo s GLN 138 Cb -0.18 -3.45 0.25 0.00 -1.09 0.00 0.00 33.01 28.54 1iwo s GLN 138 CO 0.12 0.22 0.97 -0.98 -1.32 0.00 0.00 175.29 174.30 1iwo s ARG 139 N 0.58 3.95 0.68 9.60 1.70 -1.26 -2.07 118.95 132.14 1iwo s ARG 139 Ca 0.11 -2.89 -0.11 0.00 -0.47 0.00 0.00 55.73 52.36 1iwo s ARG 139 Cb -0.12 -4.51 0.17 0.00 -0.57 0.00 0.00 34.95 29.91 1iwo s ARG 139 CO 0.01 -1.27 0.62 0.44 -1.08 0.00 0.00 175.30 174.02 1iwo n ILE 140 N 3.27 0.00 -2.97 4.99 -5.35 -0.53 -4.60 119.36 114.17 1iwo n ILE 140 Ca 0.20 -0.28 -0.40 0.00 -0.27 0.00 0.00 62.75 62.00 1iwo n ILE 140 Cb 0.43 -1.16 -0.06 0.00 -1.74 0.00 0.00 39.64 37.11 1iwo n ILE 140 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1iwo s LYS 141 N -4.40 4.56 0.33 6.28 1.02 -1.26 -0.84 119.74 125.43 1iwo s LYS 141 Ca 0.40 1.15 0.21 0.00 0.02 0.00 0.00 55.97 57.75 1iwo s LYS 141 Cb -0.04 -3.29 1.12 0.00 -0.52 0.00 0.00 37.83 35.11 1iwo s LYS 141 CO 0.30 0.49 1.61 0.00 -0.92 0.00 0.00 175.35 176.84 1iwo n ALA 142 N 1.92 0.96 0.14 5.17 0.00 -0.79 0.22 120.51 128.13 1iwo n ALA 142 Ca -0.05 0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.65 1iwo n ALA 142 Cb 0.49 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.76 1iwo n ALA 142 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1iwo h ARG 143 N 0.00 0.00 -0.33 0.00 2.43 -1.79 -3.32 114.38 111.37 1iwo h ARG 143 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1iwo h ARG 143 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1iwo h ARG 143 CO 0.00 0.24 0.00 -0.25 -1.51 0.00 0.00 179.97 178.45 1iwo n ASP 144 N -3.03 2.96 -4.83 -3.80 8.00 0.13 -1.69 116.55 114.29 1iwo n ASP 144 Ca 0.00 -1.92 -0.32 0.00 0.71 0.00 0.00 54.79 53.25 1iwo n ASP 144 Cb 0.66 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 1iwo n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1iwo s ILE 145 N -1.58 4.29 0.06 0.53 1.01 -1.17 -4.91 121.20 119.43 1iwo s ILE 145 Ca 0.37 1.14 0.02 0.00 0.00 0.00 0.00 60.65 62.18 1iwo s ILE 145 Cb 0.21 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1iwo s ILE 145 CO 0.30 -0.59 -0.07 0.68 0.00 0.00 0.00 174.94 175.26 1iwo s VAL 146 N -2.51 0.57 0.55 2.92 -7.23 -1.26 -3.69 120.40 109.75 1iwo s VAL 146 Ca 0.61 -1.43 -0.22 0.00 -1.81 0.00 0.00 61.98 59.13 1iwo s VAL 146 Cb -0.12 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 1iwo s VAL 146 CO 0.31 -0.60 1.35 -2.84 -0.31 0.00 0.00 175.10 173.00 1iwo s PRO 147 N -2.54 3.13 0.00 4.82 0.02 -1.26 -3.22 135.00 135.94 1iwo s PRO 147 Ca -0.01 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.21 1iwo s PRO 147 Cb -0.03 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1iwo s PRO 147 CO -0.02 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 1iwo n GLY 148 N 0.72 3.07 3.76 0.52 0.00 0.16 -4.82 105.19 108.60 1iwo n GLY 148 Ca 0.11 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1iwo n GLY 148 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iwo s ASP 149 N 0.00 4.79 -0.01 1.61 1.47 -1.20 -4.50 116.67 118.82 1iwo s ASP 149 Ca 0.00 2.02 -0.19 0.00 1.18 0.00 0.00 52.55 55.56 1iwo s ASP 149 Cb 0.00 -2.55 -0.05 0.00 -0.34 0.00 0.00 42.92 39.98 1iwo s ASP 149 CO 0.00 -1.85 0.55 0.27 0.68 0.00 0.00 175.17 174.82 1iwo s ILE 150 N -2.41 4.95 0.39 2.11 -4.36 -1.26 -2.66 121.20 117.97 1iwo s ILE 150 Ca 0.67 1.14 0.08 0.00 -0.26 0.00 0.00 60.65 62.27 1iwo s ILE 150 Cb -0.21 -3.88 -0.07 0.00 1.25 0.00 0.00 42.46 39.55 1iwo s ILE 150 CO 0.45 0.44 0.01 0.68 0.24 0.00 0.00 174.94 176.77 1iwo s VAL 151 N -0.28 2.12 0.03 8.37 -7.23 -0.39 0.13 120.40 123.14 1iwo s VAL 151 Ca 0.29 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1iwo s VAL 151 Cb -0.18 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.82 1iwo s VAL 151 CO 0.16 -0.05 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.15 1iwo s GLU 152 N -3.72 0.39 0.01 4.82 2.12 -0.57 -1.88 118.70 119.88 1iwo s GLU 152 Ca 0.35 -0.61 -0.11 0.00 0.36 0.00 0.00 54.97 54.96 1iwo s GLU 152 Cb 0.07 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.37 1iwo s GLU 152 CO 0.18 0.01 0.23 0.14 -0.54 0.00 0.00 175.26 175.28 1iwo s VAL 153 N -1.26 0.08 0.34 3.70 -7.23 -0.70 -4.32 120.40 111.00 1iwo s VAL 153 Ca -0.11 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 59.34 1iwo s VAL 153 Cb -0.09 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 36.15 1iwo s VAL 153 CO -0.00 -0.38 0.48 0.00 -0.31 0.00 0.00 175.10 174.89 1iwo s ALA 154 N -1.88 0.70 0.29 1.32 0.00 -1.26 -1.48 121.76 119.45 1iwo s ALA 154 Ca -0.10 -1.48 -0.26 0.00 0.00 0.00 0.00 51.96 50.13 1iwo s ALA 154 Cb -0.04 1.14 -0.16 0.00 0.00 0.00 0.00 23.12 24.07 1iwo s ALA 154 CO 0.00 -0.80 0.50 1.33 0.00 0.00 0.00 175.76 176.80 1iwo n VAL 155 N -0.55 1.68 0.00 0.00 0.24 -0.03 -1.55 118.33 118.11 1iwo n VAL 155 Ca 0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1iwo n VAL 155 Cb 0.62 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1iwo n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iwo n GLY 156 N 1.93 2.39 3.72 7.63 0.00 -0.14 -4.93 105.19 115.79 1iwo n GLY 156 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1iwo n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iwo s ASP 157 N -0.37 4.35 -0.28 1.61 1.01 -0.60 -4.72 116.67 117.68 1iwo s ASP 157 Ca 0.00 2.46 -0.05 0.00 0.71 0.00 0.00 52.55 55.67 1iwo s ASP 157 Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1iwo s ASP 157 CO 0.00 -2.16 0.04 -0.75 0.21 0.00 0.00 175.17 172.50 1iwo s LYS 158 N -3.69 3.08 -0.25 8.23 2.20 -1.26 -1.18 119.74 126.87 1iwo s LYS 158 Ca 0.78 -0.85 -0.36 0.00 -0.36 0.00 0.00 55.97 55.18 1iwo s LYS 158 Cb -0.32 -3.25 -0.12 0.00 -1.51 0.00 0.00 37.83 32.62 1iwo s LYS 158 CO 0.43 -0.40 1.98 0.28 -0.36 0.00 0.00 175.35 177.27 1iwo n VAL 159 N 4.82 0.35 0.29 4.02 0.31 0.12 -4.75 118.33 123.48 1iwo n VAL 159 Ca -0.15 -0.16 0.16 0.00 -0.01 0.00 0.00 64.34 64.18 1iwo n VAL 159 Cb 0.48 -1.63 0.63 0.00 -0.91 0.00 0.00 33.84 32.41 1iwo n VAL 159 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1iwo h PRO 160 N 10.12 0.00 0.00 5.55 0.13 -1.89 -1.37 132.00 144.54 1iwo h PRO 160 Ca -0.39 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.77 1iwo h PRO 160 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1iwo h PRO 160 CO 0.98 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 179.05 1iwo n ALA 161 N -2.06 -1.59 -2.48 -0.56 0.00 -1.26 -4.87 120.51 107.69 1iwo n ALA 161 Ca 0.01 -0.86 -0.43 0.00 0.00 0.00 0.00 53.44 52.16 1iwo n ALA 161 Cb 0.32 0.61 -0.02 0.00 0.00 0.00 0.00 19.45 20.35 1iwo n ALA 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1iwo s ASP 162 N -2.64 6.58 -0.16 0.00 1.11 -1.07 -2.98 116.67 117.51 1iwo s ASP 162 Ca 0.14 0.85 0.02 0.00 0.18 0.00 0.00 52.55 53.74 1iwo s ASP 162 Cb -0.03 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.43 1iwo s ASP 162 CO 0.07 -1.22 -0.21 -0.63 1.18 0.00 0.00 175.17 174.36 1iwo s ILE 163 N 4.65 2.06 -0.01 0.77 1.01 -0.06 -1.30 121.20 128.32 1iwo s ILE 163 Ca 0.54 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.98 1iwo s ILE 163 Cb -0.12 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1iwo s ILE 163 CO 0.28 0.54 0.78 -0.60 0.00 0.00 0.00 174.94 175.95 1iwo s ARG 164 N 1.10 4.49 0.07 2.79 3.00 -0.37 0.50 118.95 130.52 1iwo s ARG 164 Ca 0.00 1.07 -0.25 0.00 -1.00 0.00 0.00 55.73 55.55 1iwo s ARG 164 Cb -0.14 -3.42 -0.06 0.00 0.00 0.00 0.00 34.95 31.33 1iwo s ARG 164 CO -0.08 0.13 0.76 0.42 0.00 0.00 0.00 175.30 176.53 1iwo s ILE 165 N 0.50 4.67 -0.12 4.11 1.01 -0.68 0.22 121.20 130.91 1iwo s ILE 165 Ca 0.41 1.63 -0.12 0.00 0.00 0.00 0.00 60.65 62.57 1iwo s ILE 165 Cb -0.20 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1iwo s ILE 165 CO 0.22 0.40 -0.23 0.18 0.00 0.00 0.00 174.94 175.50 1iwo n LEU 166 N 2.57 1.32 -3.97 2.97 4.77 -0.52 -4.80 117.00 119.34 1iwo n LEU 166 Ca -0.03 0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 55.99 1iwo n LEU 166 Cb 0.50 -0.67 -0.16 0.00 -2.33 0.00 0.00 43.42 40.76 1iwo n LEU 166 CO 0.47 -0.35 -0.43 -0.94 -1.33 0.00 0.00 177.39 174.81 1iwo s SER 167 N -5.29 1.14 -0.50 -1.43 1.04 -0.41 -4.87 113.70 103.38 1iwo s SER 167 Ca -0.19 -0.17 -0.15 0.00 0.48 0.00 0.00 55.95 55.91 1iwo s SER 167 Cb 0.03 -0.40 0.10 0.00 0.10 0.00 0.00 66.02 65.85 1iwo s SER 167 CO 0.29 0.03 0.43 -0.63 0.98 0.00 0.00 173.24 174.33 1iwo s ILE 168 N 0.44 5.09 0.09 -1.02 1.01 -1.26 -0.43 121.20 125.12 1iwo s ILE 168 Ca -0.07 -1.34 0.14 0.00 0.00 0.00 0.00 60.65 59.38 1iwo s ILE 168 Cb -0.11 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1iwo s ILE 168 CO 0.01 -0.73 1.54 0.11 0.00 0.00 0.00 174.94 175.87 1iwo h LYS 169 N 8.78 0.00 -7.65 2.79 1.57 -1.84 -3.45 116.57 116.77 1iwo h LYS 169 Ca -0.28 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.06 1iwo h LYS 169 Cb 1.10 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.59 1iwo h LYS 169 CO 0.95 0.59 0.31 -1.54 -0.57 0.00 0.00 179.45 179.18 1iwo s SER 170 N -6.58 2.23 0.23 0.86 1.04 -0.70 -4.95 113.70 105.83 1iwo s SER 170 Ca 0.01 0.42 -0.02 0.00 0.48 0.00 0.00 55.95 56.84 1iwo s SER 170 Cb 0.10 -0.55 0.24 0.00 0.10 0.00 0.00 66.02 65.91 1iwo s SER 170 CO 0.74 -3.30 1.63 0.74 0.98 0.00 0.00 173.24 174.04 1iwo h THR 171 N -2.02 1.28 -2.73 2.02 2.02 -1.92 -3.45 112.91 108.11 1iwo h THR 171 Ca -0.45 -1.41 -0.10 0.00 0.77 0.00 0.00 66.41 65.22 1iwo h THR 171 Cb 1.26 1.37 -0.20 0.00 -1.74 0.00 0.00 68.15 68.84 1iwo h THR 171 CO 0.37 0.46 -0.14 0.42 0.37 0.00 0.00 175.52 176.99 1iwo s THR 172 N -4.45 0.04 -0.14 3.16 -4.23 -1.26 -5.14 115.64 103.62 1iwo s THR 172 Ca -0.08 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.07 1iwo s THR 172 Cb 0.13 -0.72 -0.03 0.00 1.34 0.00 0.00 72.50 73.22 1iwo s THR 172 CO 0.82 -0.18 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.46 1iwo s LEU 173 N -1.26 3.23 0.05 4.79 2.96 -1.26 -4.14 118.68 123.06 1iwo s LEU 173 Ca -0.13 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 1iwo s LEU 173 Cb -0.04 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1iwo s LEU 173 CO 0.06 0.20 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.99 1iwo s ARG 174 N 0.20 1.05 0.01 1.98 0.52 -0.19 -1.52 118.95 121.02 1iwo s ARG 174 Ca -0.02 -0.87 -0.02 0.00 -0.52 0.00 0.00 55.73 54.29 1iwo s ARG 174 Cb -0.14 -1.12 -0.01 0.00 0.52 0.00 0.00 34.95 34.20 1iwo s ARG 174 CO 0.03 0.27 0.02 0.14 0.02 0.00 0.00 175.30 175.78 1iwo s VAL 175 N -0.93 0.09 -0.97 3.52 -7.23 -0.04 -0.46 120.40 114.38 1iwo s VAL 175 Ca 0.03 -0.73 -0.16 0.00 -1.81 0.00 0.00 61.98 59.32 1iwo s VAL 175 Cb -0.09 -0.27 0.18 0.00 0.56 0.00 0.00 36.38 36.76 1iwo s VAL 175 CO 0.02 -0.40 1.09 -0.62 -0.31 0.00 0.00 175.10 174.88 1iwo s ASP 176 N -1.22 6.82 -0.26 4.85 2.15 0.79 -0.94 116.67 128.85 1iwo s ASP 176 Ca -0.13 -2.56 -0.03 0.00 0.43 0.00 0.00 52.55 50.26 1iwo s ASP 176 Cb -0.08 -2.33 0.06 0.00 -0.30 0.00 0.00 42.92 40.27 1iwo s ASP 176 CO -0.00 -0.79 2.52 0.00 -0.17 0.00 0.00 175.17 176.73 1iwo n GLN 177 N 5.29 1.91 0.21 4.34 6.02 -1.26 -3.23 117.38 130.66 1iwo n GLN 177 Ca 0.24 -1.49 -0.12 0.00 -0.01 0.00 0.00 57.00 55.61 1iwo n GLN 177 Cb 0.46 -1.76 -0.07 0.00 1.02 0.00 0.00 30.24 29.90 1iwo n GLN 177 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1iwo h SER 178 N 2.14 -0.50 -1.35 1.08 0.02 -1.89 -3.16 113.55 109.88 1iwo h SER 178 Ca 0.26 -0.08 0.39 0.00 -0.84 0.00 0.00 61.79 61.52 1iwo h SER 178 Cb 0.96 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 1iwo h SER 178 CO 0.60 -0.08 1.14 0.16 -1.14 0.00 0.00 176.83 177.50 1iwo h ILE 179 N -1.03 0.13 0.08 3.27 3.07 -1.88 0.17 117.51 121.31 1iwo h ILE 179 Ca -0.06 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.35 1iwo h ILE 179 Cb 0.55 0.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.26 1iwo h ILE 179 CO 0.10 0.00 -0.04 -0.07 -1.05 0.00 0.00 178.15 177.09 1iwo h LEU 180 N 0.00 -0.09 0.00 0.16 3.38 -1.91 -1.86 115.31 114.99 1iwo h LEU 180 Ca 0.64 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1iwo h LEU 180 Cb 2.91 0.02 0.00 0.00 0.09 0.00 0.00 40.66 43.68 1iwo h LEU 180 CO -0.01 0.57 -0.32 0.35 0.09 0.00 0.00 178.44 179.12 1iwo n THR 181 N -4.81 0.65 0.00 0.22 -2.24 0.39 -2.76 114.28 105.73 1iwo n THR 181 Ca -0.06 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1iwo n THR 181 Cb 0.26 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 1iwo n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwo n GLY 182 N 2.08 1.06 3.56 3.38 0.00 -0.09 -4.06 105.19 111.11 1iwo n GLY 182 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1iwo n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iwo s GLU 183 N 0.00 2.19 0.62 1.61 2.02 -1.26 -4.78 118.70 119.10 1iwo s GLU 183 Ca 0.00 0.33 0.27 0.00 0.02 0.00 0.00 54.97 55.59 1iwo s GLU 183 Cb 0.00 -4.80 1.37 0.00 0.10 0.00 0.00 34.13 30.80 1iwo s GLU 183 CO 0.00 -3.62 1.78 1.03 0.02 0.00 0.00 175.26 174.48 1iwo h SER 184 N 13.45 0.00 -0.75 -0.19 0.87 -1.94 -3.42 113.55 121.57 1iwo h SER 184 Ca -0.04 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.84 1iwo h SER 184 Cb 1.06 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 1iwo h SER 184 CO 1.14 0.00 1.41 0.52 -0.53 0.00 0.00 176.83 179.37 1iwo n VAL 185 N -3.31 0.12 -0.78 2.23 0.31 -1.26 -4.83 118.33 110.81 1iwo n VAL 185 Ca 0.06 -0.19 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 1iwo n VAL 185 Cb 0.68 -1.31 0.16 0.00 -0.91 0.00 0.00 33.84 32.46 1iwo n VAL 185 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1iwo n SER 186 N 9.38 0.34 -4.41 4.52 3.41 -1.26 -4.77 113.62 120.82 1iwo n SER 186 Ca 0.46 0.45 -0.24 0.00 -0.26 0.00 0.00 58.87 59.28 1iwo n SER 186 Cb 0.15 -1.47 -0.11 0.00 -0.26 0.00 0.00 64.21 62.53 1iwo n SER 186 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1iwo s VAL 187 N -2.51 2.23 -0.22 -3.33 -7.23 -0.12 -4.87 120.40 104.36 1iwo s VAL 187 Ca 0.68 -2.15 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 1iwo s VAL 187 Cb -0.24 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 1iwo s VAL 187 CO 0.57 -0.29 0.26 -0.63 -0.31 0.00 0.00 175.10 174.69 1iwo s ILE 188 N -2.14 5.30 0.35 -0.62 1.09 -1.26 -0.86 121.20 123.05 1iwo s ILE 188 Ca 0.23 0.40 0.05 0.00 -1.10 0.00 0.00 60.65 60.22 1iwo s ILE 188 Cb -0.06 -3.59 -0.01 0.00 -1.06 0.00 0.00 42.46 37.74 1iwo s ILE 188 CO 0.11 0.31 0.50 -0.54 -0.10 0.00 0.00 174.94 175.21 1iwo s LYS 189 N 1.14 3.17 0.26 2.79 -0.14 -0.57 -4.95 119.74 121.44 1iwo s LYS 189 Ca 0.12 -0.83 0.05 0.00 -1.36 0.00 0.00 55.97 53.95 1iwo s LYS 189 Cb -0.14 -2.77 -0.02 0.00 -1.68 0.00 0.00 37.83 33.22 1iwo s LYS 189 CO 0.06 0.05 0.24 0.72 -0.76 0.00 0.00 175.35 175.66 1iwo n HIS 190 N -1.70 -0.71 -0.04 3.18 8.25 0.16 -4.55 115.22 119.80 1iwo n HIS 190 Ca -0.01 -2.14 -0.04 0.00 -0.26 0.00 0.00 57.72 55.26 1iwo n HIS 190 Cb 0.58 0.26 -0.07 0.00 1.12 0.00 0.00 29.99 31.88 1iwo n HIS 190 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1iwo n THR 191 N -0.49 0.59 -0.94 1.59 5.66 -1.26 -4.15 114.28 115.28 1iwo n THR 191 Ca 0.05 -0.36 -0.35 0.00 -3.05 0.00 0.00 64.05 60.34 1iwo n THR 191 Cb 0.47 -0.77 0.08 0.00 -1.55 0.00 0.00 70.33 68.55 1iwo n THR 191 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1iwo n GLU 192 N -2.34 -0.11 -2.93 1.09 2.13 -1.26 -4.81 120.64 112.42 1iwo n GLU 192 Ca -0.14 -0.01 -0.24 0.00 0.66 0.00 0.00 57.16 57.43 1iwo n GLU 192 Cb 0.78 -1.45 0.01 0.00 0.27 0.00 0.00 31.44 31.04 1iwo n GLU 192 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1iwo s PRO 193 N -2.76 3.21 -0.31 5.31 0.04 -1.26 -4.75 135.00 134.48 1iwo s PRO 193 Ca 0.50 -0.28 -0.05 0.00 0.04 0.00 0.00 61.00 61.22 1iwo s PRO 193 Cb -0.22 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.84 1iwo s PRO 193 CO 0.73 -0.23 0.06 0.08 0.04 0.00 0.00 177.00 177.68 1iwo s VAL 194 N -2.60 3.58 0.03 -0.36 1.01 -0.76 -5.04 120.40 116.25 1iwo s VAL 194 Ca 0.47 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1iwo s VAL 194 Cb -0.10 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1iwo s VAL 194 CO 0.40 -0.04 1.15 1.55 0.00 0.00 0.00 175.10 178.16 1iwo h PRO 195 N 8.16 -0.23 -6.00 2.72 0.13 -1.86 -3.30 132.00 131.62 1iwo h PRO 195 Ca -0.27 0.02 -0.74 0.00 -0.87 0.00 0.00 66.00 64.14 1iwo h PRO 195 Cb 1.10 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1iwo h PRO 195 CO 0.59 -0.15 1.30 -3.47 -0.23 0.00 0.00 178.00 176.03 1iwo n ASP 196 N -3.20 1.30 0.25 1.44 -0.08 -1.26 -4.81 116.55 110.19 1iwo n ASP 196 Ca -0.03 0.64 0.11 0.00 -1.51 0.00 0.00 54.79 54.00 1iwo n ASP 196 Cb 0.12 -1.03 0.62 0.00 2.34 0.00 0.00 41.12 43.17 1iwo n ASP 196 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1iwo h PRO 197 N 9.77 0.00 -2.32 -0.67 0.11 -1.98 -3.23 132.00 133.68 1iwo h PRO 197 Ca -0.19 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.27 1iwo h PRO 197 Cb 1.38 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 32.11 1iwo h PRO 197 CO 1.06 0.17 -0.19 2.89 -0.21 0.00 0.00 178.00 181.71 1iwo n ARG 198 N -3.60 3.55 -4.13 1.05 1.85 -1.26 -4.93 116.66 109.19 1iwo n ARG 198 Ca -0.01 -4.75 -0.32 0.00 -1.00 0.00 0.00 57.85 51.76 1iwo n ARG 198 Cb 0.31 -2.31 -0.07 0.00 -1.05 0.00 0.00 32.46 29.33 1iwo n ARG 198 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iwo s ALA 199 N -3.27 3.52 0.41 2.89 0.00 -1.22 -5.09 121.76 118.99 1iwo s ALA 199 Ca 0.43 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 51.21 1iwo s ALA 199 Cb 0.20 -1.50 -0.10 0.00 0.00 0.00 0.00 23.12 21.73 1iwo s ALA 199 CO -0.08 0.69 1.43 0.14 0.00 0.00 0.00 175.76 177.95 1iwo s VAL 200 N -1.21 2.16 0.50 0.00 -7.23 -1.26 -4.82 120.40 108.55 1iwo s VAL 200 Ca 0.23 0.15 0.34 0.00 -1.81 0.00 0.00 61.98 60.90 1iwo s VAL 200 Cb -0.12 -3.09 0.54 0.00 0.56 0.00 0.00 36.38 34.27 1iwo s VAL 200 CO 0.15 0.03 1.74 0.78 -0.31 0.00 0.00 175.10 177.48 1iwo h ASN 201 N 2.73 0.13 -0.55 4.85 2.35 -1.98 0.78 115.58 123.89 1iwo h ASN 201 Ca -0.51 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.33 1iwo h ASN 201 Cb 1.25 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.61 1iwo h ASN 201 CO 0.63 -0.01 0.37 -0.61 -1.65 0.00 0.00 177.43 176.15 1iwo h GLN 202 N 0.09 0.54 -0.14 0.81 4.15 -2.04 -0.69 115.11 117.83 1iwo h GLN 202 Ca 0.67 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.05 1iwo h GLN 202 Cb 2.39 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.95 1iwo h GLN 202 CO -0.13 0.36 0.00 -0.25 -1.93 0.00 0.00 178.83 176.88 1iwo n ASP 203 N -4.47 2.30 -3.94 -0.69 9.92 0.27 -4.51 116.55 115.44 1iwo n ASP 203 Ca 0.07 -1.78 -0.43 0.00 -0.53 0.00 0.00 54.79 52.13 1iwo n ASP 203 Cb 0.20 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 1iwo n ASP 203 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1iwo n LYS 204 N 0.77 3.45 0.00 -1.24 5.02 -0.27 -4.78 118.16 121.11 1iwo n LYS 204 Ca 0.17 -3.40 0.04 0.00 -2.02 0.00 0.00 58.31 53.10 1iwo n LYS 204 Cb 0.46 -3.02 0.23 0.00 -0.02 0.00 0.00 35.03 32.68 1iwo n LYS 204 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1iwo n LYS 205 N 4.60 0.67 -0.20 1.97 2.85 -1.26 -2.92 118.16 123.87 1iwo n LYS 205 Ca 0.42 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.73 1iwo n LYS 205 Cb 0.38 -1.18 0.08 0.00 -0.65 0.00 0.00 35.03 33.66 1iwo n LYS 205 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1iwo n ASN 206 N -0.68 1.48 -4.56 -5.58 0.23 -1.26 0.38 115.26 105.27 1iwo n ASN 206 Ca 0.06 -2.58 -0.26 0.00 -0.53 0.00 0.00 54.58 51.27 1iwo n ASN 206 Cb 0.03 -0.31 -0.09 0.00 -2.08 0.00 0.00 39.78 37.33 1iwo n ASN 206 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1iwo s MET 207 N -1.71 2.03 -0.15 -3.83 -1.94 -1.15 -1.68 119.30 110.87 1iwo s MET 207 Ca 0.18 -1.35 0.01 0.00 -1.71 0.00 0.00 55.69 52.82 1iwo s MET 207 Cb 0.16 -2.10 0.02 0.00 2.01 0.00 0.00 34.83 34.91 1iwo s MET 207 CO 0.02 0.41 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.76 1iwo s LEU 208 N -3.02 1.86 0.01 -0.03 1.43 0.18 -4.92 118.68 114.19 1iwo s LEU 208 Ca 0.26 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 1iwo s LEU 208 Cb -0.08 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 44.81 1iwo s LEU 208 CO 0.16 -0.01 0.52 -0.36 0.23 0.00 0.00 176.35 176.88 1iwo s PHE 209 N 1.24 3.73 0.24 0.29 0.40 -1.26 -0.89 117.98 121.73 1iwo s PHE 209 Ca 0.01 1.13 -0.31 0.00 -0.60 0.00 0.00 56.93 57.17 1iwo s PHE 209 Cb -0.14 -2.47 -0.11 0.00 0.51 0.00 0.00 43.02 40.82 1iwo s PHE 209 CO -0.08 0.51 1.54 0.45 0.70 0.00 0.00 175.22 178.34 1iwo s SER 210 N -0.71 6.52 0.00 1.36 0.15 -1.16 -1.51 113.70 118.36 1iwo s SER 210 Ca 0.27 2.76 0.00 0.00 0.70 0.00 0.00 55.95 59.69 1iwo s SER 210 Cb -0.18 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1iwo s SER 210 CO 0.16 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1iwo n GLY 211 N 2.71 1.81 3.90 9.45 0.00 -0.52 -4.76 105.19 117.78 1iwo n GLY 211 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1iwo n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iwo s THR 212 N -2.38 3.70 -0.03 2.61 2.01 -0.57 -4.84 115.64 116.14 1iwo s THR 212 Ca 0.00 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1iwo s THR 212 Cb 0.00 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 1iwo s THR 212 CO 0.00 -0.59 -0.24 0.20 -0.69 0.00 0.00 174.62 173.30 1iwo s ASN 213 N -4.31 2.85 -1.00 3.53 0.01 -1.20 0.11 114.94 114.93 1iwo s ASN 213 Ca 0.55 -0.45 -0.23 0.00 -0.71 0.00 0.00 52.86 52.02 1iwo s ASN 213 Cb -0.11 -0.49 0.03 0.00 0.41 0.00 0.00 41.25 41.09 1iwo s ASN 213 CO 0.48 0.27 1.53 -0.63 -1.51 0.00 0.00 177.10 177.25 1iwo s ILE 214 N -0.40 3.84 0.13 0.60 -1.09 -0.33 -0.15 121.20 123.81 1iwo s ILE 214 Ca 0.04 -0.69 -0.18 0.00 -2.23 0.00 0.00 60.65 57.59 1iwo s ILE 214 Cb -0.11 -4.88 -0.04 0.00 -1.58 0.00 0.00 42.46 35.86 1iwo s ILE 214 CO 0.01 -1.77 1.78 0.00 -1.23 0.00 0.00 174.94 173.72 1iwo h ALA 215 N 10.05 0.32 -3.55 9.38 0.00 -1.07 -0.36 119.26 134.04 1iwo h ALA 215 Ca 0.18 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 1iwo h ALA 215 Cb 1.01 -0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.46 1iwo h ALA 215 CO 1.39 -0.24 -0.66 0.00 0.00 0.00 0.00 179.25 179.74 1iwo s ALA 216 N -6.17 -0.11 0.00 0.00 0.00 -0.66 -4.69 121.76 110.14 1iwo s ALA 216 Ca -0.13 0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1iwo s ALA 216 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1iwo s ALA 216 CO 0.70 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.83 1iwo n GLY 217 N 2.92 -1.18 3.63 0.00 0.00 -1.26 -1.02 105.19 108.28 1iwo n GLY 217 Ca -0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 1iwo n GLY 217 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iwo s LYS 218 N 0.00 0.48 0.27 1.61 2.36 -1.26 -0.85 119.74 122.34 1iwo s LYS 218 Ca 0.00 0.85 0.01 0.00 -2.55 0.00 0.00 55.97 54.28 1iwo s LYS 218 Cb 0.00 0.13 -0.03 0.00 -1.05 0.00 0.00 37.83 36.88 1iwo s LYS 218 CO 0.00 -0.10 0.26 0.00 1.55 0.00 0.00 175.35 177.05 1iwo s ALA 219 N 1.51 1.28 0.06 3.13 0.00 -0.55 -1.71 121.76 125.48 1iwo s ALA 219 Ca -0.09 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.13 1iwo s ALA 219 Cb -0.04 1.37 -0.03 0.00 0.00 0.00 0.00 23.12 24.42 1iwo s ALA 219 CO -0.17 -0.66 -0.08 -1.17 0.00 0.00 0.00 175.76 173.68 1iwo s LEU 220 N -3.24 2.31 0.00 0.00 0.20 0.43 -1.73 118.68 116.65 1iwo s LEU 220 Ca 0.37 -0.65 -0.06 0.00 0.69 0.00 0.00 54.13 54.48 1iwo s LEU 220 Cb 0.04 -0.19 0.03 0.00 -0.43 0.00 0.00 46.19 45.64 1iwo s LEU 220 CO 0.19 -0.24 0.35 0.61 -0.29 0.00 0.00 176.35 176.97 1iwo n GLY 221 N 1.13 1.62 3.38 7.98 0.00 -0.79 -1.29 105.19 117.23 1iwo n GLY 221 Ca -0.20 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1iwo n GLY 221 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1iwo s ILE 222 N -2.59 3.40 -0.06 -0.61 2.07 0.13 -1.26 121.20 122.29 1iwo s ILE 222 Ca 0.08 -0.51 -0.29 0.00 -1.41 0.00 0.00 60.65 58.51 1iwo s ILE 222 Cb -0.02 -2.49 -0.07 0.00 0.13 0.00 0.00 42.46 40.01 1iwo s ILE 222 CO 0.06 0.48 1.86 -0.69 -1.91 0.00 0.00 174.94 174.74 1iwo s VAL 223 N 0.79 3.28 -0.09 4.00 1.01 -1.09 -1.24 120.40 127.07 1iwo s VAL 223 Ca -0.03 0.33 0.14 0.00 0.00 0.00 0.00 61.98 62.43 1iwo s VAL 223 Cb -0.15 -3.24 -0.23 0.00 0.00 0.00 0.00 36.38 32.77 1iwo s VAL 223 CO 0.01 -0.06 0.54 0.00 0.00 0.00 0.00 175.10 175.60 1iwo n ALA 224 N 8.10 1.57 -3.39 5.51 0.00 -0.42 0.37 120.51 132.24 1iwo n ALA 224 Ca 0.20 -0.87 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 1iwo n ALA 224 Cb 0.43 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1iwo n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iwo s THR 225 N -2.63 0.02 0.00 0.00 -4.23 -1.20 -0.30 115.64 107.30 1iwo s THR 225 Ca -0.06 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1iwo s THR 225 Cb 0.08 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1iwo s THR 225 CO 0.83 -0.07 0.00 0.35 -0.54 0.00 0.00 174.62 175.19 1iwo n THR 226 N -0.36 0.00 0.00 3.99 -2.24 -1.26 -2.59 114.28 111.82 1iwo n THR 226 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1iwo n THR 226 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1iwo n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwo n GLY 227 N 0.00 0.89 0.52 3.38 0.00 -1.26 -1.11 105.19 107.61 1iwo n GLY 227 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1iwo n GLY 227 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1iwo n VAL 228 N 0.00 0.03 0.41 1.61 0.24 -1.26 -2.07 118.33 117.29 1iwo n VAL 228 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.39 1iwo n VAL 228 Cb 0.00 -0.34 -0.13 0.00 -1.47 0.00 0.00 33.84 31.90 1iwo n VAL 228 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1iwo n SER 229 N 0.20 0.69 -4.85 -1.34 7.64 -0.26 -3.38 113.62 112.32 1iwo n SER 229 Ca 0.00 -0.44 -0.31 0.00 1.01 0.00 0.00 58.87 59.13 1iwo n SER 229 Cb 0.17 1.48 0.04 0.00 -1.01 0.00 0.00 64.21 64.89 1iwo n SER 229 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1iwo s THR 230 N -3.10 3.96 0.30 0.44 -4.23 -0.88 -4.71 115.64 107.42 1iwo s THR 230 Ca -0.01 0.64 0.05 0.00 -1.18 0.00 0.00 61.69 61.19 1iwo s THR 230 Cb 0.13 -3.53 0.31 0.00 1.34 0.00 0.00 72.50 70.76 1iwo s THR 230 CO 0.80 -0.83 1.67 -0.33 -0.54 0.00 0.00 174.62 175.39 1iwo h GLU 231 N -0.63 0.29 -0.05 3.99 4.39 -1.94 0.27 114.58 120.90 1iwo h GLU 231 Ca -0.45 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.19 1iwo h GLU 231 Cb 1.22 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1iwo h GLU 231 CO 0.61 0.19 -0.13 0.82 -1.16 0.00 0.00 179.01 179.33 1iwo h ILE 232 N 0.29 1.44 -0.98 3.13 5.03 -1.92 -3.12 117.51 121.38 1iwo h ILE 232 Ca 0.59 -1.51 0.13 0.00 -0.12 0.00 0.00 64.86 63.95 1iwo h ILE 232 Cb 1.21 2.31 -0.09 0.00 -3.03 0.00 0.00 36.82 37.22 1iwo h ILE 232 CO -0.60 0.42 0.61 1.23 -0.68 0.00 0.00 178.15 179.12 1iwo h GLY 233 N -0.35 1.62 0.74 5.37 0.00 -0.98 0.12 103.07 109.59 1iwo h GLY 233 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1iwo h GLY 233 CO 0.03 0.13 -0.28 0.50 0.00 0.00 0.00 176.54 176.92 1iwo h LYS 234 N 0.94 -0.59 -0.72 4.80 1.57 -0.61 -0.46 116.57 121.49 1iwo h LYS 234 Ca 0.50 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.41 1iwo h LYS 234 Cb 0.53 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.90 1iwo h LYS 234 CO -0.28 -0.40 0.37 0.82 -0.57 0.00 0.00 179.45 179.40 1iwo h ILE 235 N -0.62 0.86 0.00 1.86 2.04 -1.15 0.26 117.51 120.76 1iwo h ILE 235 Ca -0.02 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1iwo h ILE 235 Cb 0.55 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1iwo h ILE 235 CO -0.03 0.12 -0.07 -0.09 0.00 0.00 0.00 178.15 178.08 1iwo h ARG 236 N 0.63 0.00 0.01 2.37 1.12 -0.30 0.55 114.38 118.77 1iwo h ARG 236 Ca 0.35 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 59.01 1iwo h ARG 236 Cb 0.36 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.33 1iwo h ARG 236 CO -0.26 0.07 -0.83 -0.44 -3.11 0.00 0.00 179.97 175.39 1iwo h ASP 237 N 0.00 0.71 -0.58 -3.80 3.45 0.11 -1.98 116.42 114.33 1iwo h ASP 237 Ca -0.00 -0.76 0.03 0.00 0.43 0.00 0.00 57.03 56.72 1iwo h ASP 237 Cb 0.13 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.65 1iwo h ASP 237 CO 0.01 1.38 0.35 1.56 -1.57 0.00 0.00 179.24 180.98 1iwo h GLN 238 N 0.11 0.68 -0.61 3.56 4.20 -0.27 -1.52 115.11 121.26 1iwo h GLN 238 Ca -0.11 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 1iwo h GLN 238 Cb 1.52 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 1iwo h GLN 238 CO 0.16 0.45 0.09 0.52 -0.67 0.00 0.00 178.83 179.38 1iwo h MET 239 N 0.70 1.00 0.00 1.46 2.86 -0.91 -1.31 114.93 118.73 1iwo h MET 239 Ca 0.23 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1iwo h MET 239 Cb 0.02 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1iwo h MET 239 CO -0.10 0.92 0.00 0.00 1.06 0.00 0.00 176.91 178.80 1iwo n ALA 240 N -2.47 2.19 -0.07 6.32 0.00 -0.75 -3.00 120.51 122.74 1iwo n ALA 240 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1iwo n ALA 240 Cb 0.28 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.21 1iwo n ALA 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwo n ALA 241 N -1.27 1.45 -1.78 0.00 0.00 -0.54 -4.94 120.51 113.43 1iwo n ALA 241 Ca 0.11 -1.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 1iwo n ALA 241 Cb 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 1iwo n ALA 241 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iwo s THR 242 N -2.54 2.15 -0.45 0.00 -4.23 -0.90 -4.95 115.64 104.73 1iwo s THR 242 Ca -0.11 0.12 -0.19 0.00 -1.18 0.00 0.00 61.69 60.33 1iwo s THR 242 Cb 0.07 -3.08 0.03 0.00 1.34 0.00 0.00 72.50 70.87 1iwo s THR 242 CO 0.81 0.01 0.54 -0.70 -0.54 0.00 0.00 174.62 174.74 1iwo s GLU 243 N 0.38 3.15 -0.47 3.99 2.12 -1.26 -5.03 118.70 121.57 1iwo s GLU 243 Ca 0.68 -0.71 -0.23 0.00 0.36 0.00 0.00 54.97 55.07 1iwo s GLU 243 Cb -0.48 -4.00 0.03 0.00 0.26 0.00 0.00 34.13 29.94 1iwo s GLU 243 CO 0.39 -1.00 0.79 -1.14 -0.54 0.00 0.00 175.26 173.76 1iwo s GLN 244 N 2.43 3.37 0.82 4.30 2.00 -1.26 -5.03 119.66 126.28 1iwo s GLN 244 Ca 0.15 -0.19 -0.12 0.00 -2.00 0.00 0.00 55.36 53.20 1iwo s GLN 244 Cb -0.17 -3.97 0.09 0.00 0.80 0.00 0.00 33.01 29.76 1iwo s GLN 244 CO 0.14 -1.17 1.16 -0.51 -0.50 0.00 0.00 175.29 174.41 1iwo s ASP 245 N 2.26 3.68 0.21 6.67 1.01 -1.26 -5.00 116.67 124.23 1iwo s ASP 245 Ca 0.29 2.18 -0.29 0.00 0.71 0.00 0.00 52.55 55.44 1iwo s ASP 245 Cb -0.13 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.15 1iwo s ASP 245 CO 0.21 -2.60 0.89 -0.54 0.21 0.00 0.00 175.17 173.34 1iwo s LYS 246 N -4.43 4.76 0.36 8.23 1.02 -1.26 -4.99 119.74 123.43 1iwo s LYS 246 Ca 0.68 1.38 -0.23 0.00 0.02 0.00 0.00 55.97 57.82 1iwo s LYS 246 Cb -0.24 -3.28 -0.15 0.00 -0.52 0.00 0.00 37.83 33.64 1iwo s LYS 246 CO 0.53 0.51 0.36 2.41 -0.92 0.00 0.00 175.35 178.24 1iwo n THR 247 N 1.63 1.34 0.01 2.17 -1.04 -1.26 -4.55 114.28 112.58 1iwo n THR 247 Ca -0.03 -0.50 0.05 0.00 -2.04 0.00 0.00 64.05 61.53 1iwo n THR 247 Cb 0.48 -0.20 0.45 0.00 -1.82 0.00 0.00 70.33 69.23 1iwo n THR 247 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1iwo h PRO 248 N 0.69 0.49 0.48 -2.82 0.13 -1.95 0.36 132.00 129.39 1iwo h PRO 248 Ca -0.36 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1iwo h PRO 248 Cb 1.43 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1iwo h PRO 248 CO 0.51 0.33 -0.23 1.25 -0.23 0.00 0.00 178.00 179.63 1iwo h LEU 249 N 0.51 -0.55 -1.16 1.56 5.85 -1.93 0.55 115.31 120.14 1iwo h LEU 249 Ca 0.15 -0.04 0.25 0.00 0.84 0.00 0.00 57.88 59.08 1iwo h LEU 249 Cb -0.00 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.06 1iwo h LEU 249 CO -0.03 -0.30 0.63 1.56 -0.34 0.00 0.00 178.44 179.95 1iwo h GLN 250 N -0.78 0.51 0.62 1.25 4.20 -1.60 1.56 115.11 120.88 1iwo h GLN 250 Ca -0.07 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1iwo h GLN 250 Cb 0.55 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.23 1iwo h GLN 250 CO 0.11 0.34 -0.30 1.96 -0.67 0.00 0.00 178.83 180.27 1iwo h GLN 251 N 0.53 -0.80 -0.42 1.46 4.20 -0.49 -0.19 115.11 119.40 1iwo h GLN 251 Ca 0.61 0.05 0.09 0.00 0.06 0.00 0.00 58.65 59.47 1iwo h GLN 251 Cb 1.30 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 29.17 1iwo h GLN 251 CO -0.39 -0.53 -0.20 0.87 -0.67 0.00 0.00 178.83 177.92 1iwo h LYS 252 N -1.13 -0.11 -0.27 1.46 1.79 0.80 0.24 116.57 119.35 1iwo h LYS 252 Ca -0.08 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1iwo h LYS 252 Cb 0.63 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1iwo h LYS 252 CO 0.14 -0.07 0.22 1.25 -1.08 0.00 0.00 179.45 179.91 1iwo h LEU 253 N -0.11 0.00 0.01 2.94 5.85 0.22 -2.65 115.31 121.57 1iwo h LEU 253 Ca 0.20 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1iwo h LEU 253 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1iwo h LEU 253 CO -0.49 0.00 -0.01 0.44 -0.34 0.00 0.00 178.44 178.04 1iwo h ASP 254 N 0.00 -0.01 -0.71 1.25 3.32 0.13 -3.27 116.42 117.14 1iwo h ASP 254 Ca 0.13 -0.79 0.18 0.00 0.02 0.00 0.00 57.03 56.57 1iwo h ASP 254 Cb 0.58 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1iwo h ASP 254 CO -0.00 0.84 0.49 1.05 -1.72 0.00 0.00 179.24 179.91 1iwo h GLU 255 N -0.93 0.14 -0.47 3.56 4.11 -0.95 -1.36 114.58 118.68 1iwo h GLU 255 Ca -0.00 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.46 1iwo h GLU 255 Cb 0.80 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1iwo h GLU 255 CO 0.00 0.09 0.23 0.35 0.07 0.00 0.00 179.01 179.75 1iwo h PHE 256 N 0.14 0.41 -0.21 2.06 3.57 -1.53 0.32 116.94 121.71 1iwo h PHE 256 Ca 0.34 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.76 1iwo h PHE 256 Cb 1.15 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1iwo h PHE 256 CO -0.00 0.20 -0.33 0.78 -2.23 0.00 0.00 178.31 176.73 1iwo h GLY 257 N 0.45 0.48 0.94 2.40 0.00 -1.35 0.82 103.07 106.81 1iwo h GLY 257 Ca 0.21 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1iwo h GLY 257 CO -0.15 0.39 0.47 0.83 0.00 0.00 0.00 176.54 178.08 1iwo h GLU 258 N 0.38 0.91 0.01 4.80 4.39 -0.69 0.27 114.58 124.64 1iwo h GLU 258 Ca 0.05 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1iwo h GLU 258 Cb 0.76 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1iwo h GLU 258 CO 0.06 0.60 -0.00 1.96 -1.16 0.00 0.00 179.01 180.47 1iwo h GLN 259 N 0.94 -0.01 -0.72 2.33 1.08 0.03 -3.04 115.11 115.72 1iwo h GLN 259 Ca 0.28 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.64 1iwo h GLN 259 Cb -0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.25 1iwo h GLN 259 CO -0.08 0.84 -0.07 1.25 -0.95 0.00 0.00 178.83 179.81 1iwo h LEU 260 N -0.95 -0.47 -0.17 1.46 5.85 0.80 0.32 115.31 122.15 1iwo h LEU 260 Ca -0.00 0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1iwo h LEU 260 Cb 0.85 0.38 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1iwo h LEU 260 CO 0.00 -0.20 -0.24 -1.28 -0.34 0.00 0.00 178.44 176.39 1iwo h SER 261 N 0.06 -0.74 0.14 1.25 0.87 -0.57 -1.77 113.55 112.78 1iwo h SER 261 Ca 0.37 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1iwo h SER 261 Cb 0.62 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 1iwo h SER 261 CO -0.68 -0.28 -0.36 0.50 -0.53 0.00 0.00 176.83 175.49 1iwo h LYS 262 N -0.28 -0.53 -0.93 2.24 1.63 -0.33 -2.87 116.57 115.50 1iwo h LYS 262 Ca 0.11 0.04 0.08 0.00 -0.85 0.00 0.00 60.65 60.03 1iwo h LYS 262 Cb 0.45 0.12 -0.11 0.00 -0.60 0.00 0.00 32.23 32.09 1iwo h LYS 262 CO -0.33 -0.35 -0.55 0.28 -3.45 0.00 0.00 179.45 175.05 1iwo n VAL 263 N -4.48 -0.63 -0.31 2.00 0.31 -0.10 -1.10 118.33 114.01 1iwo n VAL 263 Ca -0.06 2.27 0.04 0.00 -0.01 0.00 0.00 64.34 66.58 1iwo n VAL 263 Cb 0.29 -2.80 0.13 0.00 -0.91 0.00 0.00 33.84 30.54 1iwo n VAL 263 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1iwo h ILE 264 N 0.00 0.14 0.00 2.52 2.04 -1.19 1.47 117.51 122.49 1iwo h ILE 264 Ca 0.15 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 1iwo h ILE 264 Cb 0.38 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1iwo h ILE 264 CO -0.87 0.00 -0.01 0.77 0.00 0.00 0.00 178.15 178.04 1iwo h SER 265 N 0.01 0.00 0.23 1.72 4.64 -0.90 -1.89 113.55 117.36 1iwo h SER 265 Ca 0.43 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.40 1iwo h SER 265 Cb 0.68 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1iwo h SER 265 CO -0.88 0.01 -1.58 -0.07 -0.87 0.00 0.00 176.83 173.44 1iwo h LEU 266 N 0.00 0.77 -0.97 5.97 -0.00 0.23 -2.99 115.31 118.31 1iwo h LEU 266 Ca -0.00 -0.93 -0.01 0.00 -0.00 0.00 0.00 57.88 56.94 1iwo h LEU 266 Cb 0.17 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.54 1iwo h LEU 266 CO 0.00 1.74 0.52 0.40 -0.00 0.00 0.00 178.44 181.10 1iwo h ILE 267 N 0.13 1.25 0.30 1.22 2.04 -0.36 0.14 117.51 122.23 1iwo h ILE 267 Ca -0.29 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1iwo h ILE 267 Cb 2.15 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1iwo h ILE 267 CO 0.24 0.27 -0.14 0.00 0.00 0.00 0.00 178.15 178.52 1iwo h VAL 269 N -0.46 1.06 0.57 0.00 2.07 -1.35 -2.10 116.25 116.04 1iwo h VAL 269 Ca -0.04 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1iwo h VAL 269 Cb 0.35 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1iwo h VAL 269 CO 0.07 0.13 -0.39 0.00 0.02 0.00 0.00 177.57 177.40 1iwo h ALA 270 N 1.28 -1.17 -0.66 1.67 0.00 -0.42 -2.12 119.26 117.83 1iwo h ALA 270 Ca 0.25 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1iwo h ALA 270 Cb 0.04 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1iwo h ALA 270 CO -0.11 -1.15 -0.39 0.28 0.00 0.00 0.00 179.25 177.88 1iwo n VAL 271 N -4.85 -0.45 -0.10 0.00 0.31 0.10 -0.02 118.33 113.32 1iwo n VAL 271 Ca -0.11 1.93 -0.08 0.00 -0.01 0.00 0.00 64.34 66.06 1iwo n VAL 271 Cb 0.39 -2.41 -0.03 0.00 -0.91 0.00 0.00 33.84 30.88 1iwo n VAL 271 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 1iwo h TRP 272 N 0.00 -0.98 -0.05 3.52 7.01 -1.35 0.47 115.95 124.57 1iwo h TRP 272 Ca 0.11 0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.18 1iwo h TRP 272 Cb 0.27 0.49 -0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1iwo h TRP 272 CO -0.89 -0.40 0.12 -0.07 -2.79 0.00 0.00 178.44 174.41 1iwo h LEU 273 N -0.29 0.00 0.13 0.65 3.38 0.27 -2.82 115.31 116.62 1iwo h LEU 273 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1iwo h LEU 273 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1iwo h LEU 273 CO -0.52 0.00 -0.06 0.40 0.09 0.00 0.00 178.44 178.34 1iwo h ILE 274 N 0.00 0.00 -1.97 1.22 1.08 0.34 -3.37 117.51 114.80 1iwo h ILE 274 Ca 0.02 -0.19 -0.74 0.00 -0.39 0.00 0.00 64.86 63.56 1iwo h ILE 274 Cb 0.26 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.84 1iwo h ILE 274 CO -0.00 0.00 1.53 0.59 -0.69 0.00 0.00 178.15 179.58 1iwo n ASN 275 N -3.03 5.20 -2.85 1.72 5.03 -0.77 -4.81 115.26 115.76 1iwo n ASN 275 Ca -0.02 -3.02 -0.39 0.00 0.87 0.00 0.00 54.58 52.02 1iwo n ASN 275 Cb 0.07 -1.54 0.04 0.00 -1.02 0.00 0.00 39.78 37.33 1iwo n ASN 275 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1iwo n ILE 276 N 4.21 3.57 0.00 2.41 5.41 -1.22 -4.74 119.36 129.00 1iwo n ILE 276 Ca 0.37 -4.17 0.00 0.00 1.00 0.00 0.00 62.75 59.95 1iwo n ILE 276 Cb 0.41 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 1iwo n ILE 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1iwo n GLY 277 N -0.58 -0.56 0.56 7.39 0.00 -1.26 -3.89 105.19 106.84 1iwo n GLY 277 Ca 0.55 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.91 1iwo n GLY 277 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1iwo h HIS 278 N 0.00 0.00 -0.43 1.61 3.86 -1.91 1.64 115.15 119.93 1iwo h HIS 278 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 1iwo h HIS 278 Cb 0.00 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.37 1iwo h HIS 278 CO 0.01 0.00 0.22 0.34 0.86 0.00 0.00 177.93 179.36 1iwo n PHE 279 N -3.58 1.37 -0.55 2.45 7.35 -1.25 -4.12 117.46 119.13 1iwo n PHE 279 Ca 0.27 -0.90 0.00 0.00 -0.76 0.00 0.00 57.45 56.05 1iwo n PHE 279 Cb 1.50 -0.50 0.00 0.00 0.35 0.00 0.00 39.48 40.82 1iwo n PHE 279 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1iwo n ASN 280 N -0.11 0.00 0.07 -2.13 5.15 0.54 -5.07 115.26 113.72 1iwo n ASN 280 Ca 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1iwo n ASN 280 Cb 0.97 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.22 1iwo n ASN 280 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1iwo n ASP 281 N 0.00 -0.46 -4.39 1.20 8.00 -0.17 -5.07 116.55 115.66 1iwo n ASP 281 Ca 0.00 0.26 -0.60 0.00 0.71 0.00 0.00 54.79 55.16 1iwo n ASP 281 Cb 0.00 0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 41.59 1iwo n ASP 281 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1iwo n PRO 282 N -2.93 0.00 0.00 -0.24 -0.02 -1.26 -4.95 135.00 125.60 1iwo n PRO 282 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1iwo n PRO 282 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1iwo n PRO 282 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1iwo n VAL 283 N 2.36 0.00 0.39 -1.45 0.24 -1.26 -4.90 118.33 113.72 1iwo n VAL 283 Ca 0.23 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.35 1iwo n VAL 283 Cb 0.02 -1.59 -0.09 0.00 -1.47 0.00 0.00 33.84 30.72 1iwo n VAL 283 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 1iwo h HIS 284 N -0.06 -1.20 0.00 6.34 2.07 -2.00 -3.45 115.15 116.84 1iwo h HIS 284 Ca 0.00 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1iwo h HIS 284 Cb 0.00 0.43 0.00 0.00 2.57 0.00 0.00 27.41 30.41 1iwo h HIS 284 CO 0.00 -0.67 0.00 0.41 -3.07 0.00 0.00 177.93 174.60 1iwo n GLY 285 N -1.57 3.02 0.00 6.13 0.00 -1.26 -4.62 105.19 106.90 1iwo n GLY 285 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1iwo n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwo n GLY 286 N 0.00 0.62 1.13 -0.02 0.00 -1.26 -4.95 105.19 100.71 1iwo n GLY 286 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iwo n GLY 286 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iwo n SER 287 N 0.00 3.58 0.04 1.61 7.64 -1.26 -3.95 113.62 121.29 1iwo n SER 287 Ca 0.00 -2.11 -0.05 0.00 1.01 0.00 0.00 58.87 57.73 1iwo n SER 287 Cb 0.06 -0.66 -0.09 0.00 -1.01 0.00 0.00 64.21 62.51 1iwo n SER 287 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1iwo h TRP 288 N 0.25 0.00 0.00 1.43 4.06 -1.93 -2.58 115.95 117.19 1iwo h TRP 288 Ca 0.00 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.66 1iwo h TRP 288 Cb 1.01 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.12 1iwo h TRP 288 CO 0.06 0.84 -1.71 1.51 -3.56 0.00 0.00 178.44 175.58 1iwo n ILE 289 N -3.15 1.62 -0.03 1.49 0.13 -1.25 -3.77 119.36 114.39 1iwo n ILE 289 Ca -0.06 -0.79 -0.13 0.00 -1.10 0.00 0.00 62.75 60.66 1iwo n ILE 289 Cb 0.92 -1.06 -0.11 0.00 -0.84 0.00 0.00 39.64 38.55 1iwo n ILE 289 CO 0.00 0.00 0.00 -0.09 2.80 0.00 0.00 176.55 179.26 1iwo h ARG 290 N 0.00 0.05 0.00 9.51 2.43 -1.82 -2.81 114.38 121.74 1iwo h ARG 290 Ca -0.29 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1iwo h ARG 290 Cb 2.01 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 1iwo h ARG 290 CO 0.08 0.67 0.00 0.41 -1.51 0.00 0.00 179.97 179.62 1iwo n GLY 291 N 0.64 -0.07 0.10 2.80 0.00 -0.97 -2.04 105.19 105.64 1iwo n GLY 291 Ca -0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1iwo n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwo n ALA 292 N -0.90 0.89 -0.16 4.61 0.00 -1.08 -4.20 120.51 119.67 1iwo n ALA 292 Ca 0.01 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.55 1iwo n ALA 292 Cb 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1iwo n ALA 292 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1iwo h ILE 293 N -1.00 0.15 -0.94 0.00 2.04 -1.18 -0.29 117.51 116.29 1iwo h ILE 293 Ca -0.12 0.00 0.22 0.00 1.00 0.00 0.00 64.86 65.95 1iwo h ILE 293 Cb 1.06 0.15 -0.18 0.00 -0.74 0.00 0.00 36.82 37.11 1iwo h ILE 293 CO -0.07 0.00 -0.11 0.22 0.00 0.00 0.00 178.15 178.18 1iwo h TYR 294 N -0.25 -0.29 -0.02 1.37 3.20 -1.74 2.42 116.97 121.66 1iwo h TYR 294 Ca 0.18 0.08 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 1iwo h TYR 294 Cb 0.56 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1iwo h TYR 294 CO -0.62 -0.40 -0.23 1.88 -1.64 0.00 0.00 178.16 177.15 1iwo h TYR 295 N 0.01 0.03 0.06 -3.82 -1.99 -1.24 -1.69 116.97 108.33 1iwo h TYR 295 Ca 0.50 -0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.91 1iwo h TYR 295 Cb 0.90 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.59 1iwo h TYR 295 CO -0.61 0.25 -1.80 0.74 -0.00 0.00 0.00 178.16 176.75 1iwo h PHE 296 N 0.03 0.25 -0.39 4.88 -1.00 0.88 -3.27 116.94 118.31 1iwo h PHE 296 Ca 0.00 -0.18 0.08 0.00 2.81 0.00 0.00 57.97 60.68 1iwo h PHE 296 Cb 0.42 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 1iwo h PHE 296 CO 0.00 1.36 0.27 -0.22 -1.61 0.00 0.00 178.31 178.11 1iwo h LYS 297 N 0.04 0.17 -0.00 1.51 3.64 0.41 -0.84 116.57 121.50 1iwo h LYS 297 Ca -0.33 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1iwo h LYS 297 Cb 2.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 1iwo h LYS 297 CO 0.09 0.11 -0.48 0.44 -2.27 0.00 0.00 179.45 177.34 1iwo n ILE 298 N -4.46 0.00 -0.05 2.00 -6.64 -0.67 -3.64 119.36 105.90 1iwo n ILE 298 Ca 0.06 -0.04 -0.14 0.00 -1.77 0.00 0.00 62.75 60.86 1iwo n ILE 298 Cb 0.34 0.38 -0.12 0.00 -1.44 0.00 0.00 39.64 38.80 1iwo n ILE 298 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1iwo h ALA 299 N 3.19 0.00 -0.78 -1.28 0.00 -1.20 -2.00 119.26 117.19 1iwo h ALA 299 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1iwo h ALA 299 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1iwo h ALA 299 CO 0.00 -0.08 0.51 -0.39 0.00 0.00 0.00 179.25 179.29 1iwo h VAL 300 N -0.81 1.00 -0.21 0.00 -1.51 -1.67 0.99 116.25 114.04 1iwo h VAL 300 Ca -0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1iwo h VAL 300 Cb 0.83 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1iwo h VAL 300 CO 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 177.57 176.49 1iwo n ALA 301 N -2.44 2.60 -0.07 5.19 0.00 -1.21 -2.36 120.51 122.22 1iwo n ALA 301 Ca 0.12 -0.45 -0.07 0.00 0.00 0.00 0.00 53.44 53.04 1iwo n ALA 301 Cb 0.26 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 1iwo n ALA 301 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1iwo n LEU 302 N 0.17 0.15 -0.01 0.00 -0.00 0.33 -4.05 117.00 113.59 1iwo n LEU 302 Ca 0.08 -0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1iwo n LEU 302 Cb 0.29 0.30 -0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1iwo n LEU 302 CO 0.07 0.37 -0.00 0.00 -0.00 0.00 0.00 177.39 177.83 1iwo h ALA 303 N 0.67 0.00 0.00 1.96 0.00 -0.96 -2.84 119.26 118.09 1iwo h ALA 303 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1iwo h ALA 303 Cb 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1iwo h ALA 303 CO 0.02 0.00 0.49 -0.39 0.00 0.00 0.00 179.25 179.37 1iwo h VAL 304 N -0.18 0.00 0.23 0.00 -1.51 -1.74 0.60 116.25 113.65 1iwo h VAL 304 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 66.70 65.13 1iwo h VAL 304 Cb 0.00 0.43 0.03 0.00 -2.13 0.00 0.00 31.29 29.62 1iwo h VAL 304 CO 0.00 0.00 -1.58 0.00 -1.23 0.00 0.00 177.57 174.76 1iwo h ALA 305 N 0.96 -0.04 0.01 5.19 0.00 -1.70 -3.39 119.26 120.29 1iwo h ALA 305 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 54.91 53.85 1iwo h ALA 305 Cb 0.98 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1iwo h ALA 305 CO 0.00 0.81 -0.48 0.00 0.00 0.00 0.00 179.25 179.59 1iwo h ALA 306 N 0.13 0.09 -1.98 0.00 0.00 0.25 -3.40 119.26 114.36 1iwo h ALA 306 Ca -0.29 -0.75 -0.59 0.00 0.00 0.00 0.00 54.91 53.28 1iwo h ALA 306 Cb 2.14 0.26 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1iwo h ALA 306 CO 0.24 0.26 1.46 -0.89 0.00 0.00 0.00 179.25 180.32 1iwo n ILE 307 N -4.52 0.39 -0.99 0.00 2.08 0.92 -4.83 119.36 112.41 1iwo n ILE 307 Ca -0.18 -0.41 -0.24 0.00 0.56 0.00 0.00 62.75 62.49 1iwo n ILE 307 Cb 0.57 -2.48 -0.07 0.00 -0.75 0.00 0.00 39.64 36.91 1iwo n ILE 307 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1iwo n PRO 308 N 8.56 2.54 -1.90 0.38 -0.04 -1.26 -4.82 135.00 138.46 1iwo n PRO 308 Ca 0.29 -1.50 -0.34 0.00 -0.04 0.00 0.00 63.50 61.91 1iwo n PRO 308 Cb 0.43 -2.38 0.04 0.00 -0.04 0.00 0.00 33.50 31.55 1iwo n PRO 308 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1iwo s GLU 309 N 2.14 2.91 0.00 0.54 2.56 -1.26 -2.39 118.70 123.20 1iwo s GLU 309 Ca 0.57 1.55 0.00 0.00 0.00 0.00 0.00 54.97 57.09 1iwo s GLU 309 Cb 0.19 -1.95 0.00 0.00 2.00 0.00 0.00 34.13 34.37 1iwo s GLU 309 CO -0.03 -1.19 0.00 0.41 -0.56 0.00 0.00 175.26 173.89 1iwo n GLY 310 N -0.10 3.28 0.10 -1.50 0.00 -1.26 -4.58 105.19 101.13 1iwo n GLY 310 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1iwo n GLY 310 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iwo h LEU 311 N 0.00 -0.15 -0.82 0.99 6.46 -1.74 -2.21 115.31 117.84 1iwo h LEU 311 Ca 0.00 -0.04 0.17 0.00 -0.12 0.00 0.00 57.88 57.89 1iwo h LEU 311 Cb 0.00 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 39.86 1iwo h LEU 311 CO 0.00 -0.06 0.35 1.55 -0.62 0.00 0.00 178.44 179.66 1iwo h PRO 312 N -0.22 0.44 -0.94 5.25 0.13 -1.90 0.64 132.00 135.40 1iwo h PRO 312 Ca -0.02 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 65.14 1iwo h PRO 312 Cb 0.17 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 31.14 1iwo h PRO 312 CO 0.03 0.29 0.61 0.00 -0.23 0.00 0.00 178.00 178.70 1iwo h ALA 313 N 1.61 1.28 0.59 -0.56 0.00 -1.90 -1.37 119.26 118.91 1iwo h ALA 313 Ca 0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1iwo h ALA 313 Cb 0.77 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1iwo h ALA 313 CO -0.44 0.42 -0.28 0.28 0.00 0.00 0.00 179.25 179.22 1iwo h VAL 314 N 1.13 0.22 -0.52 0.00 2.07 0.78 -1.74 116.25 118.20 1iwo h VAL 314 Ca 0.40 -0.37 0.15 0.00 0.82 0.00 0.00 66.70 67.70 1iwo h VAL 314 Cb 0.11 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1iwo h VAL 314 CO -0.15 0.03 0.69 0.16 0.02 0.00 0.00 177.57 178.31 1iwo h ILE 315 N -1.09 0.20 0.01 4.57 -0.00 -0.61 -0.62 117.51 119.98 1iwo h ILE 315 Ca -0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 64.86 64.69 1iwo h ILE 315 Cb 0.66 0.43 -0.01 0.00 -0.00 0.00 0.00 36.82 37.90 1iwo h ILE 315 CO 0.13 0.00 -0.47 0.74 -0.00 0.00 0.00 178.15 178.55 1iwo h THR 316 N 0.00 1.49 -0.84 0.16 2.02 -1.05 -2.03 112.91 112.66 1iwo h THR 316 Ca 0.25 -2.31 0.08 0.00 0.77 0.00 0.00 66.41 65.20 1iwo h THR 316 Cb 1.62 3.01 -0.06 0.00 -1.74 0.00 0.00 68.15 70.98 1iwo h THR 316 CO -0.00 0.53 0.55 0.74 0.37 0.00 0.00 175.52 177.70 1iwo h THR 317 N -0.94 0.99 0.52 3.16 2.02 -0.24 0.53 112.91 118.95 1iwo h THR 317 Ca -0.12 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 1iwo h THR 317 Cb 1.15 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1iwo h THR 317 CO -0.05 0.16 -0.25 0.00 0.37 0.00 0.00 175.52 175.74 1iwo h LEU 319 N -0.83 -1.17 -0.63 0.00 4.07 -0.88 0.16 115.31 116.03 1iwo h LEU 319 Ca -0.07 0.16 0.08 0.00 0.08 0.00 0.00 57.88 58.13 1iwo h LEU 319 Cb 0.54 0.49 -0.10 0.00 1.08 0.00 0.00 40.66 42.67 1iwo h LEU 319 CO 0.12 -0.39 -0.51 0.00 -1.08 0.00 0.00 178.44 176.57 1iwo h ALA 320 N 0.28 -0.52 -0.48 1.53 0.00 -1.01 0.93 119.26 119.99 1iwo h ALA 320 Ca 0.09 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1iwo h ALA 320 Cb 0.59 1.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 1iwo h ALA 320 CO -0.39 -0.93 0.16 -0.07 0.00 0.00 0.00 179.25 178.02 1iwo h LEU 321 N -0.23 0.15 -0.79 0.00 3.38 -1.05 0.25 115.31 117.02 1iwo h LEU 321 Ca 0.14 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1iwo h LEU 321 Cb 0.55 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1iwo h LEU 321 CO -0.72 0.11 0.46 1.23 0.09 0.00 0.00 178.44 179.61 1iwo h GLY 322 N 0.33 1.19 1.00 0.83 0.00 0.18 -0.89 103.07 105.71 1iwo h GLY 322 Ca 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1iwo h GLY 322 CO -0.25 0.18 -0.45 -0.84 0.00 0.00 0.00 176.54 175.18 1iwo h THR 323 N 0.81 0.06 -0.14 4.70 2.02 0.31 -1.63 112.91 119.05 1iwo h THR 323 Ca 0.36 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.56 1iwo h THR 323 Cb 0.25 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1iwo h THR 323 CO -0.20 0.00 0.31 0.08 0.37 0.00 0.00 175.52 176.08 1iwo h ARG 324 N -1.28 0.00 0.00 6.66 -0.00 -0.42 -1.63 114.38 117.72 1iwo h ARG 324 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.85 1iwo h ARG 324 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.94 1iwo h ARG 324 CO 0.21 0.00 0.00 -2.13 -0.00 0.00 0.00 179.97 178.05 1iwo n ARG 325 N -3.26 0.00 -0.45 0.08 0.63 -0.36 -3.30 116.66 110.00 1iwo n ARG 325 Ca 0.01 0.45 0.38 0.00 -0.92 0.00 0.00 57.85 57.77 1iwo n ARG 325 Cb 0.41 -1.27 0.70 0.00 0.45 0.00 0.00 32.46 32.76 1iwo n ARG 325 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 1iwo h MET 326 N 0.00 0.08 -0.87 -0.14 2.86 -0.76 0.35 114.93 116.45 1iwo h MET 326 Ca 0.00 -0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 1iwo h MET 326 Cb 0.00 -0.02 -0.12 0.00 0.06 0.00 0.00 31.60 31.52 1iwo h MET 326 CO 0.00 0.05 0.38 0.00 1.06 0.00 0.00 176.91 178.40 1iwo h ALA 327 N 1.40 1.36 0.00 6.32 0.00 -0.95 1.22 119.26 128.60 1iwo h ALA 327 Ca 0.73 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.79 1iwo h ALA 327 Cb 2.59 0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.51 1iwo h ALA 327 CO -0.16 -0.29 0.00 1.63 0.00 0.00 0.00 179.25 180.42 1iwo n LYS 328 N -5.02 0.42 -0.55 0.00 4.76 0.12 -2.58 118.16 115.31 1iwo n LYS 328 Ca 0.20 0.06 0.08 0.00 -2.87 0.00 0.00 58.31 55.78 1iwo n LYS 328 Cb 0.59 -1.50 0.30 0.00 -1.84 0.00 0.00 35.03 32.58 1iwo n LYS 328 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1iwo n LYS 329 N -1.20 3.54 -1.87 1.97 5.02 0.42 -4.93 118.16 121.11 1iwo n LYS 329 Ca 0.12 -2.84 -0.16 0.00 -2.02 0.00 0.00 58.31 53.40 1iwo n LYS 329 Cb 0.14 -1.89 -0.04 0.00 -0.02 0.00 0.00 35.03 33.22 1iwo n LYS 329 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1iwo n ASN 330 N 0.14 -4.92 -4.12 4.39 3.02 -1.06 -4.88 115.26 107.83 1iwo n ASN 330 Ca 0.23 0.21 -0.33 0.00 -0.03 0.00 0.00 54.58 54.65 1iwo n ASN 330 Cb 0.92 -3.94 -0.16 0.00 -0.61 0.00 0.00 39.78 35.99 1iwo n ASN 330 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iwo s ALA 331 N -2.71 2.31 -0.33 5.41 0.00 -1.08 -1.24 121.76 124.12 1iwo s ALA 331 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.79 1iwo s ALA 331 Cb 0.00 -1.16 0.09 0.00 0.00 0.00 0.00 23.12 22.05 1iwo s ALA 331 CO 0.00 -0.32 0.04 0.42 0.00 0.00 0.00 175.76 175.90 1iwo s ILE 332 N 1.25 2.46 -0.08 0.00 1.01 -1.24 -2.41 121.20 122.20 1iwo s ILE 332 Ca 0.04 -2.09 -0.23 0.00 0.00 0.00 0.00 60.65 58.36 1iwo s ILE 332 Cb -0.13 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1iwo s ILE 332 CO -0.12 -0.46 0.69 -0.69 0.00 0.00 0.00 174.94 174.36 1iwo s VAL 333 N 1.00 5.05 -0.18 2.92 1.01 -1.26 -0.59 120.40 128.35 1iwo s VAL 333 Ca 0.05 1.41 -0.18 0.00 0.00 0.00 0.00 61.98 63.27 1iwo s VAL 333 Cb -0.20 -4.03 -0.14 0.00 0.00 0.00 0.00 36.38 32.01 1iwo s VAL 333 CO -0.06 0.24 0.15 0.03 0.00 0.00 0.00 175.10 175.45 1iwo h ARG 334 N 6.82 0.00 -6.19 2.72 3.08 -1.20 -3.45 114.38 116.18 1iwo h ARG 334 Ca -0.40 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.08 1iwo h ARG 334 Cb 1.19 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.14 1iwo h ARG 334 CO 0.76 0.68 0.84 0.45 -1.07 0.00 0.00 179.97 181.63 1iwo s SER 335 N -6.43 6.30 0.25 7.04 0.15 -1.26 -4.93 113.70 114.83 1iwo s SER 335 Ca -0.23 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.07 1iwo s SER 335 Cb 0.04 -2.51 0.50 0.00 -1.71 0.00 0.00 66.02 62.34 1iwo s SER 335 CO 0.47 -1.52 1.36 0.18 1.20 0.00 0.00 173.24 174.93 1iwo n LEU 336 N 8.39 -0.23 0.26 3.45 7.99 -1.26 0.94 117.00 136.54 1iwo n LEU 336 Ca 0.04 1.49 0.11 0.00 -0.01 0.00 0.00 56.01 57.64 1iwo n LEU 336 Cb 0.48 -0.49 0.71 0.00 -0.11 0.00 0.00 43.42 44.02 1iwo n LEU 336 CO 0.68 -1.46 1.03 -0.65 -1.51 0.00 0.00 177.39 175.48 1iwo h PRO 337 N 0.00 0.00 -0.23 3.23 0.11 -1.99 -2.80 132.00 130.32 1iwo h PRO 337 Ca 0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.59 1iwo h PRO 337 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1iwo h PRO 337 CO -0.87 0.07 0.16 0.77 -0.21 0.00 0.00 178.00 177.92 1iwo h SER 338 N 0.00 0.21 0.00 -2.05 0.02 0.16 -1.57 113.55 110.32 1iwo h SER 338 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1iwo h SER 338 Cb 0.15 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1iwo h SER 338 CO 0.01 0.15 0.47 -0.37 -1.14 0.00 0.00 176.83 175.95 1iwo h VAL 339 N 0.24 0.00 0.00 2.27 -1.51 -1.59 0.51 116.25 116.18 1iwo h VAL 339 Ca 0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.55 1iwo h VAL 339 Cb 0.07 0.31 -0.00 0.00 -2.13 0.00 0.00 31.29 29.54 1iwo h VAL 339 CO -0.02 0.00 -0.68 1.21 -1.23 0.00 0.00 177.57 176.85 1iwo n GLU 340 N -2.29 0.48 0.09 5.19 0.00 -0.59 -4.06 120.64 119.46 1iwo n GLU 340 Ca -0.01 0.45 0.20 0.00 0.00 0.00 0.00 57.16 57.80 1iwo n GLU 340 Cb 0.50 -1.63 0.75 0.00 0.00 0.00 0.00 31.44 31.06 1iwo n GLU 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iwo h THR 341 N -1.00 0.49 0.30 6.31 1.03 -1.16 -2.16 112.91 116.72 1iwo h THR 341 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.37 1iwo h THR 341 Cb 0.67 0.72 -0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1iwo h THR 341 CO -0.01 0.00 -0.19 0.25 -0.01 0.00 0.00 175.52 175.55 1iwo h LEU 342 N 0.00 -0.50 -0.07 0.00 5.85 -0.22 -2.48 115.31 117.89 1iwo h LEU 342 Ca 0.18 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1iwo h LEU 342 Cb 0.92 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1iwo h LEU 342 CO -0.00 -0.29 0.31 0.61 -0.34 0.00 0.00 178.44 178.72 1iwo n GLY 343 N -1.24 -0.24 0.98 3.75 0.00 -0.81 0.58 105.19 108.20 1iwo n GLY 343 Ca -0.06 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1iwo n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwo n THR 345 N 1.21 0.00 -0.05 0.00 -1.04 0.19 -4.58 114.28 110.01 1iwo n THR 345 Ca 0.18 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.17 1iwo n THR 345 Cb 0.55 -0.45 -0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1iwo n THR 345 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1iwo h SER 346 N 8.04 0.00 -3.35 8.00 0.87 -0.04 -3.44 113.55 123.63 1iwo h SER 346 Ca -0.10 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.80 1iwo h SER 346 Cb 1.29 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.06 1iwo h SER 346 CO 0.99 0.53 -0.81 -0.69 -0.53 0.00 0.00 176.83 176.32 1iwo s VAL 347 N -1.71 2.52 -0.09 2.23 1.01 -1.01 -1.67 120.40 121.68 1iwo s VAL 347 Ca -0.05 -1.87 0.01 0.00 0.00 0.00 0.00 61.98 60.07 1iwo s VAL 347 Cb 0.01 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1iwo s VAL 347 CO 0.07 -0.06 -0.10 -0.63 0.00 0.00 0.00 175.10 174.38 1iwo s ILE 348 N -1.51 1.07 -0.35 2.22 1.01 0.16 -0.35 121.20 123.45 1iwo s ILE 348 Ca 0.20 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 1iwo s ILE 348 Cb -0.09 -1.03 0.06 0.00 0.01 0.00 0.00 42.46 41.41 1iwo s ILE 348 CO 0.10 0.36 0.11 0.00 0.00 0.00 0.00 174.94 175.51 1iwo s SER 350 N 1.52 3.90 0.13 0.00 0.15 -0.73 -1.81 113.70 116.85 1iwo s SER 350 Ca -0.01 -0.57 -0.25 0.00 0.70 0.00 0.00 55.95 55.83 1iwo s SER 350 Cb -0.20 -0.55 -0.07 0.00 -1.71 0.00 0.00 66.02 63.48 1iwo s SER 350 CO 0.01 0.17 0.75 -1.81 1.20 0.00 0.00 173.24 173.57 1iwo s ASP 351 N -2.19 7.33 0.00 5.45 1.01 -1.26 -1.32 116.67 125.69 1iwo s ASP 351 Ca 0.18 1.57 0.00 0.00 0.71 0.00 0.00 52.55 55.02 1iwo s ASP 351 Cb -0.10 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1iwo s ASP 351 CO 0.10 0.18 0.43 1.17 0.21 0.00 0.00 175.17 177.27 1iwo n LYS 352 N 1.83 0.00 -1.43 8.23 4.81 -0.83 -2.76 118.16 128.01 1iwo n LYS 352 Ca -0.06 0.05 -0.49 0.00 -0.87 0.00 0.00 58.31 56.94 1iwo n LYS 352 Cb 0.49 -0.94 -0.09 0.00 0.02 0.00 0.00 35.03 34.51 1iwo n LYS 352 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1iwo n THR 353 N -0.64 0.09 0.00 3.15 -1.04 -1.26 -1.64 114.28 112.94 1iwo n THR 353 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1iwo n THR 353 Cb 0.00 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 1iwo n THR 353 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iwo n GLY 354 N 6.66 2.06 0.92 3.41 0.00 -1.16 -4.85 105.19 112.22 1iwo n GLY 354 Ca 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 1iwo n GLY 354 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iwo n THR 355 N -2.00 0.77 0.07 2.61 -1.04 -0.65 -4.53 114.28 109.50 1iwo n THR 355 Ca 0.00 0.25 -0.03 0.00 -2.04 0.00 0.00 64.05 62.24 1iwo n THR 355 Cb 0.00 -1.43 0.22 0.00 -1.82 0.00 0.00 70.33 67.29 1iwo n THR 355 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1iwo h LEU 356 N -0.07 0.33 -9.86 -4.42 4.07 -1.14 -2.95 115.31 101.27 1iwo h LEU 356 Ca 0.00 -0.13 -0.60 0.00 0.08 0.00 0.00 57.88 57.23 1iwo h LEU 356 Cb 0.07 -0.09 -0.10 0.00 1.08 0.00 0.00 40.66 41.62 1iwo h LEU 356 CO 0.00 0.67 -0.52 0.42 -1.08 0.00 0.00 178.44 177.93 1iwo s THR 357 N -4.25 2.06 -0.42 0.22 -4.23 -1.06 -0.81 115.64 107.15 1iwo s THR 357 Ca -0.05 -1.81 0.23 0.00 -1.18 0.00 0.00 61.69 58.88 1iwo s THR 357 Cb 0.13 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 71.14 1iwo s THR 357 CO 0.78 0.00 1.19 0.71 -0.54 0.00 0.00 174.62 176.76 1iwo h THR 358 N 1.49 0.00 -4.31 3.99 1.35 -1.30 -3.07 112.91 111.06 1iwo h THR 358 Ca -0.43 -0.78 -0.27 0.00 -0.55 0.00 0.00 66.41 64.38 1iwo h THR 358 Cb 1.26 1.34 0.10 0.00 -1.73 0.00 0.00 68.15 69.12 1iwo h THR 358 CO 0.73 0.00 -0.47 -3.20 -0.25 0.00 0.00 175.52 172.34 1iwo n ASN 359 N -2.47 -4.88 -3.54 5.36 4.05 -1.26 -4.72 115.26 107.79 1iwo n ASN 359 Ca 0.02 -0.37 -0.31 0.00 0.45 0.00 0.00 54.58 54.36 1iwo n ASN 359 Cb 0.50 -3.60 -0.05 0.00 1.23 0.00 0.00 39.78 37.86 1iwo n ASN 359 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1iwo n GLN 360 N -3.56 3.15 -1.38 1.20 1.13 -1.26 -5.01 117.38 111.65 1iwo n GLN 360 Ca -0.00 -4.66 -0.44 0.00 -1.94 0.00 0.00 57.00 49.96 1iwo n GLN 360 Cb 0.54 -2.33 -0.01 0.00 0.11 0.00 0.00 30.24 28.56 1iwo n GLN 360 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1iwo n MET 361 N 0.87 0.22 -3.62 -1.09 1.56 -1.26 -4.74 117.12 109.06 1iwo n MET 361 Ca 0.29 0.08 -0.03 0.00 -0.27 0.00 0.00 57.70 57.77 1iwo n MET 361 Cb 0.38 -1.18 -0.05 0.00 2.15 0.00 0.00 33.22 34.52 1iwo n MET 361 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1iwo s SER 362 N -0.96 -0.95 -0.21 6.12 0.15 -1.17 -4.71 113.70 111.97 1iwo s SER 362 Ca 0.62 1.40 -0.27 0.00 0.70 0.00 0.00 55.95 58.39 1iwo s SER 362 Cb -0.71 1.77 -0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1iwo s SER 362 CO 0.60 -0.21 0.95 -0.69 1.20 0.00 0.00 173.24 175.08 1iwo s VAL 363 N 2.20 4.76 -0.00 4.45 1.01 -1.26 -2.08 120.40 129.47 1iwo s VAL 363 Ca -0.08 1.84 0.02 0.00 0.00 0.00 0.00 61.98 63.77 1iwo s VAL 363 Cb -0.08 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1iwo s VAL 363 CO -0.19 -0.10 0.04 0.00 0.00 0.00 0.00 175.10 174.86 1iwo s LYS 365 N -2.14 1.31 -0.30 0.00 -0.14 -1.21 -0.87 119.74 116.39 1iwo s LYS 365 Ca -0.01 -1.60 -0.19 0.00 -1.36 0.00 0.00 55.97 52.81 1iwo s LYS 365 Cb 0.01 -0.94 0.18 0.00 -1.68 0.00 0.00 37.83 35.40 1iwo s LYS 365 CO 0.08 0.10 1.27 0.00 -0.76 0.00 0.00 175.35 176.04 1iwo s MET 366 N -3.71 0.03 -0.07 1.68 0.23 -1.25 -1.08 119.30 115.12 1iwo s MET 366 Ca 0.23 0.06 0.04 0.00 -1.03 0.00 0.00 55.69 55.00 1iwo s MET 366 Cb 0.02 0.04 -0.01 0.00 -1.53 0.00 0.00 34.83 33.34 1iwo s MET 366 CO 0.06 -0.02 -0.21 -0.59 -2.03 0.00 0.00 175.02 172.23 1iwo s PHE 367 N 2.48 2.55 0.40 3.16 -0.71 -0.97 -2.85 117.98 122.05 1iwo s PHE 367 Ca -0.04 -0.65 0.07 0.00 -1.04 0.00 0.00 56.93 55.27 1iwo s PHE 367 Cb -0.04 -1.65 -0.05 0.00 -1.21 0.00 0.00 43.02 40.06 1iwo s PHE 367 CO -0.12 -0.17 0.16 0.96 -1.34 0.00 0.00 175.22 174.71 1iwo s ILE 368 N -0.12 2.35 0.24 -4.49 -4.36 -1.20 -2.35 121.20 111.27 1iwo s ILE 368 Ca -0.04 -1.73 -0.27 0.00 -0.26 0.00 0.00 60.65 58.36 1iwo s ILE 368 Cb -0.14 -2.98 -0.09 0.00 1.25 0.00 0.00 42.46 40.50 1iwo s ILE 368 CO 0.04 -0.02 0.88 -0.63 0.24 0.00 0.00 174.94 175.45 1iwo s ILE 369 N -2.59 4.22 -0.27 8.37 -1.09 -1.26 0.29 121.20 128.87 1iwo s ILE 369 Ca 0.40 1.85 -0.13 0.00 -2.23 0.00 0.00 60.65 60.54 1iwo s ILE 369 Cb 0.04 -4.15 -0.14 0.00 -1.58 0.00 0.00 42.46 36.63 1iwo s ILE 369 CO 0.22 0.38 -0.26 -0.67 -1.23 0.00 0.00 174.94 173.38 1iwo n ASP 370 N 1.19 1.95 -3.60 3.58 -0.08 -0.34 -4.44 116.55 114.80 1iwo n ASP 370 Ca -0.02 0.30 -0.08 0.00 -1.51 0.00 0.00 54.79 53.49 1iwo n ASP 370 Cb 0.49 -0.80 -0.05 0.00 2.34 0.00 0.00 41.12 43.09 1iwo n ASP 370 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1iwo s LYS 371 N -2.49 0.42 0.10 -0.67 0.00 -1.20 -4.90 119.74 111.00 1iwo s LYS 371 Ca -0.37 0.15 0.07 0.00 0.00 0.00 0.00 55.97 55.82 1iwo s LYS 371 Cb 0.13 0.20 -0.03 0.00 0.00 0.00 0.00 37.83 38.12 1iwo s LYS 371 CO 0.52 -0.12 -0.18 0.08 0.00 0.00 0.00 175.35 175.65 1iwo s VAL 372 N -0.88 1.47 0.00 1.79 1.01 -1.26 -1.25 120.40 121.29 1iwo s VAL 372 Ca 0.02 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1iwo s VAL 372 Cb -0.01 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1iwo s VAL 372 CO -0.03 -0.17 0.00 0.47 0.00 0.00 0.00 175.10 175.38 1iwo n ASP 373 N 1.06 0.00 -3.52 3.32 9.92 0.81 -4.96 116.55 123.17 1iwo n ASP 373 Ca -0.19 -0.38 -0.28 0.00 -0.53 0.00 0.00 54.79 53.40 1iwo n ASP 373 Cb 0.54 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.95 1iwo n ASP 373 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1iwo n GLY 374 N 0.00 0.57 2.74 0.44 0.00 -1.26 -2.65 105.19 105.02 1iwo n GLY 374 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1iwo n GLY 374 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iwo n ASP 375 N 7.13 0.00 -4.38 1.61 9.92 -1.26 -4.99 116.55 124.58 1iwo n ASP 375 Ca 0.30 0.00 -0.45 0.00 -0.53 0.00 0.00 54.79 54.11 1iwo n ASP 375 Cb 0.31 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.73 1iwo n ASP 375 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1iwo s PHE 376 N -3.73 3.17 0.06 1.24 0.08 -1.09 -4.88 117.98 112.83 1iwo s PHE 376 Ca 0.00 -0.94 0.06 0.00 0.12 0.00 0.00 56.93 56.17 1iwo s PHE 376 Cb 0.00 -3.53 -0.03 0.00 -0.57 0.00 0.00 43.02 38.89 1iwo s PHE 376 CO 0.00 -0.98 -0.18 0.00 -0.10 0.00 0.00 175.22 173.97 1iwo s SER 378 N -1.42 1.96 0.00 0.00 1.04 -0.38 -4.99 113.70 109.91 1iwo s SER 378 Ca 0.04 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1iwo s SER 378 Cb -0.09 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1iwo s SER 378 CO 0.02 -0.09 0.00 0.18 0.98 0.00 0.00 173.24 174.34 1iwo n LEU 379 N 0.90 0.00 -2.91 2.42 4.77 -1.26 -1.20 117.00 119.73 1iwo n LEU 379 Ca -0.18 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 1iwo n LEU 379 Cb 0.55 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1iwo n LEU 379 CO 0.24 0.00 0.04 -3.20 -1.33 0.00 0.00 177.39 173.14 1iwo n ASN 380 N 0.00 -1.64 -4.44 -1.43 2.85 0.14 -3.96 115.26 106.78 1iwo n ASN 380 Ca 0.00 -3.17 -0.37 0.00 -0.11 0.00 0.00 54.58 50.93 1iwo n ASN 380 Cb 0.00 0.95 0.05 0.00 1.24 0.00 0.00 39.78 42.02 1iwo n ASN 380 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1iwo n GLU 381 N 1.28 0.36 -4.04 1.20 4.07 -1.26 -3.23 120.64 119.02 1iwo n GLU 381 Ca 0.13 0.15 -0.13 0.00 -0.06 0.00 0.00 57.16 57.26 1iwo n GLU 381 Cb 0.61 -1.71 -0.04 0.00 -0.06 0.00 0.00 31.44 30.25 1iwo n GLU 381 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1iwo s PHE 382 N -1.84 0.83 -0.04 4.31 0.40 -1.13 -4.75 117.98 115.76 1iwo s PHE 382 Ca 0.66 -1.13 -0.19 0.00 -0.60 0.00 0.00 56.93 55.66 1iwo s PHE 382 Cb -0.39 0.06 0.04 0.00 0.51 0.00 0.00 43.02 43.24 1iwo s PHE 382 CO 0.58 -1.15 0.42 -1.12 0.70 0.00 0.00 175.22 174.65 1iwo s SER 383 N -3.17 -0.35 -0.05 1.36 0.01 -0.76 -3.83 113.70 106.90 1iwo s SER 383 Ca 0.27 0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.87 1iwo s SER 383 Cb -0.01 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.70 1iwo s SER 383 CO 0.17 -0.46 0.11 0.27 0.41 0.00 0.00 173.24 173.74 1iwo s ILE 384 N -1.11 -0.07 -0.01 1.44 -0.00 -0.05 -0.31 121.20 121.10 1iwo s ILE 384 Ca -0.11 0.21 -0.17 0.00 -0.00 0.00 0.00 60.65 60.57 1iwo s ILE 384 Cb -0.04 -0.19 -0.06 0.00 -0.00 0.00 0.00 42.46 42.18 1iwo s ILE 384 CO 0.05 0.09 0.49 0.42 -0.00 0.00 0.00 174.94 175.99 1iwo s THR 385 N 1.24 4.97 0.00 8.37 -4.23 -1.22 -4.55 115.64 120.21 1iwo s THR 385 Ca -0.08 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1iwo s THR 385 Cb -0.12 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1iwo s THR 385 CO -0.05 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 1iwo n GLY 386 N 2.21 -0.32 0.06 3.99 0.00 -1.26 -3.89 105.19 105.98 1iwo n GLY 386 Ca -0.11 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 1iwo n GLY 386 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1iwo h SER 387 N 0.00 0.05 -3.94 1.61 0.87 -1.92 -3.45 113.55 106.77 1iwo h SER 387 Ca 0.00 -0.12 -0.44 0.00 -1.23 0.00 0.00 61.79 60.00 1iwo h SER 387 Cb 0.00 -0.01 0.16 0.00 -0.44 0.00 0.00 62.40 62.11 1iwo h SER 387 CO 0.00 0.15 0.33 0.28 -0.53 0.00 0.00 176.83 177.07 1iwo s THR 388 N -5.73 1.89 -0.59 2.23 -1.32 -1.26 -4.75 115.64 106.12 1iwo s THR 388 Ca -0.14 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.59 1iwo s THR 388 Cb 0.06 -2.84 0.26 0.00 -1.51 0.00 0.00 72.50 68.47 1iwo s THR 388 CO 0.67 0.00 1.62 1.88 -2.21 0.00 0.00 174.62 176.59 1iwo h TYR 389 N -1.85 0.00 -3.40 9.09 0.05 -1.86 -3.47 116.97 115.53 1iwo h TYR 389 Ca -0.45 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.76 1iwo h TYR 389 Cb 1.27 0.00 0.15 0.00 1.01 0.00 0.00 36.73 39.15 1iwo h TYR 389 CO -1.19 0.00 0.19 0.00 -1.05 0.00 0.00 178.16 176.11 1iwo n ALA 390 N -1.93 0.35 0.58 3.88 0.00 -1.26 -4.74 120.51 117.39 1iwo n ALA 390 Ca 0.04 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.63 1iwo n ALA 390 Cb 0.47 -2.12 0.16 0.00 0.00 0.00 0.00 19.45 17.96 1iwo n ALA 390 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1iwo n PRO 391 N -0.45 0.29 -1.71 0.00 -0.04 -1.26 -4.73 135.00 127.09 1iwo n PRO 391 Ca 0.11 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.16 1iwo n PRO 391 Cb 0.43 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1iwo n PRO 391 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1iwo s GLU 392 N -2.00 2.81 0.00 0.54 2.02 -1.26 -4.64 118.70 116.17 1iwo s GLU 392 Ca 0.08 1.59 0.00 0.00 0.02 0.00 0.00 54.97 56.66 1iwo s GLU 392 Cb 0.04 -4.40 0.00 0.00 0.10 0.00 0.00 34.13 29.86 1iwo s GLU 392 CO 0.06 -2.47 0.00 0.41 0.02 0.00 0.00 175.26 173.28 1iwo n GLY 393 N 5.76 1.53 3.13 -1.39 0.00 -1.25 -4.25 105.19 108.72 1iwo n GLY 393 Ca 0.30 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 1iwo n GLY 393 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iwo s GLU 394 N -1.95 0.28 0.47 1.61 2.02 -1.25 -4.93 118.70 114.96 1iwo s GLU 394 Ca 0.00 0.41 -0.22 0.00 0.02 0.00 0.00 54.97 55.18 1iwo s GLU 394 Cb 0.00 0.08 -0.07 0.00 0.10 0.00 0.00 34.13 34.24 1iwo s GLU 394 CO 0.00 -0.07 1.12 0.08 0.02 0.00 0.00 175.26 176.41 1iwo s VAL 395 N 0.43 3.31 -0.28 2.63 1.01 -1.26 -3.43 120.40 122.81 1iwo s VAL 395 Ca -0.02 0.92 -0.23 0.00 0.00 0.00 0.00 61.98 62.65 1iwo s VAL 395 Cb -0.04 -3.44 0.09 0.00 0.00 0.00 0.00 36.38 32.99 1iwo s VAL 395 CO -0.02 -0.07 0.79 -1.48 0.00 0.00 0.00 175.10 174.32 1iwo s LEU 396 N -3.19 -0.71 -0.08 3.92 0.05 0.57 -3.27 118.68 115.97 1iwo s LEU 396 Ca 0.65 1.31 -0.01 0.00 0.05 0.00 0.00 54.13 56.13 1iwo s LEU 396 Cb -0.25 2.30 -0.03 0.00 -2.05 0.00 0.00 46.19 46.16 1iwo s LEU 396 CO 0.30 -0.22 -0.01 -0.75 -0.55 0.00 0.00 176.35 175.11 1iwo s LYS 397 N 0.62 2.93 -1.52 1.48 2.20 -0.87 -1.83 119.74 122.76 1iwo s LYS 397 Ca -0.02 -0.44 -0.13 0.00 -0.36 0.00 0.00 55.97 55.03 1iwo s LYS 397 Cb -0.05 -2.75 0.08 0.00 -1.51 0.00 0.00 37.83 33.60 1iwo s LYS 397 CO -0.05 0.69 0.95 0.09 -0.36 0.00 0.00 175.35 176.68 1iwo n ASN 398 N 2.16 -4.43 0.00 1.43 3.02 -1.26 -0.26 115.26 115.93 1iwo n ASN 398 Ca -0.18 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1iwo n ASN 398 Cb 0.53 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1iwo n ASN 398 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iwo n ASP 399 N -2.85 0.00 -4.38 6.41 8.00 -1.26 -4.93 116.55 117.54 1iwo n ASP 399 Ca 0.01 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.15 1iwo n ASP 399 Cb 0.54 -2.02 -0.13 0.00 -0.02 0.00 0.00 41.12 39.49 1iwo n ASP 399 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1iwo s LYS 400 N -0.71 3.47 0.21 -1.24 -0.14 0.64 -5.02 119.74 116.96 1iwo s LYS 400 Ca 0.00 -0.58 -0.31 0.00 -1.36 0.00 0.00 55.97 53.72 1iwo s LYS 400 Cb 0.00 -3.19 -0.15 0.00 -1.68 0.00 0.00 37.83 32.81 1iwo s LYS 400 CO 0.00 -0.22 1.11 -0.35 -0.76 0.00 0.00 175.35 175.13 1iwo n PRO 401 N 4.86 1.24 -4.29 -1.68 -0.04 -1.26 -2.05 135.00 131.78 1iwo n PRO 401 Ca -0.17 0.44 -0.16 0.00 -0.04 0.00 0.00 63.50 63.57 1iwo n PRO 401 Cb 0.51 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 1iwo n PRO 401 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1iwo s ILE 402 N -0.49 1.27 -0.22 0.52 -0.00 -1.20 -4.84 121.20 116.23 1iwo s ILE 402 Ca 0.68 -2.09 -0.14 0.00 -0.00 0.00 0.00 60.65 59.10 1iwo s ILE 402 Cb -0.79 -2.01 -0.04 0.00 -0.00 0.00 0.00 42.46 39.61 1iwo s ILE 402 CO 0.55 -0.61 0.32 -0.60 -0.00 0.00 0.00 174.94 174.60 1iwo s ARG 403 N -3.75 4.12 0.21 0.37 3.00 -1.26 -4.73 118.95 116.91 1iwo s ARG 403 Ca 0.21 0.04 -0.09 0.00 -1.00 0.00 0.00 55.73 54.88 1iwo s ARG 403 Cb 0.03 -3.56 0.29 0.00 0.00 0.00 0.00 34.95 31.70 1iwo s ARG 403 CO 0.04 -0.05 1.73 0.77 0.00 0.00 0.00 175.30 177.79 1iwo h SER 404 N 7.54 0.17 0.00 -2.12 0.02 -1.89 -0.83 113.55 116.44 1iwo h SER 404 Ca -0.36 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1iwo h SER 404 Cb 1.16 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1iwo h SER 404 CO 0.69 0.10 0.37 1.23 -1.14 0.00 0.00 176.83 178.08 1iwo h GLY 405 N 0.37 0.00 1.76 -3.77 0.00 -1.82 0.41 103.07 100.03 1iwo h GLY 405 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1iwo h GLY 405 CO -0.33 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.15 1iwo n GLN 406 N -2.69 0.21 -4.65 4.80 6.02 -0.32 -4.67 117.38 116.07 1iwo n GLN 406 Ca -0.02 0.05 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 1iwo n GLN 406 Cb 0.41 -1.50 -0.17 0.00 1.02 0.00 0.00 30.24 30.00 1iwo n GLN 406 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1iwo s PHE 407 N -2.76 2.02 0.03 1.08 0.08 0.13 -5.04 117.98 113.52 1iwo s PHE 407 Ca 0.19 -0.89 -0.30 0.00 0.12 0.00 0.00 56.93 56.05 1iwo s PHE 407 Cb 0.17 -1.43 -0.17 0.00 -0.57 0.00 0.00 43.02 41.03 1iwo s PHE 407 CO 0.43 -0.43 1.29 -0.44 -0.10 0.00 0.00 175.22 175.97 1iwo h ASP 408 N 7.17 -0.92 -1.32 1.36 3.45 -1.83 -2.98 116.42 121.35 1iwo h ASP 408 Ca -0.29 0.03 0.38 0.00 0.43 0.00 0.00 57.03 57.59 1iwo h ASP 408 Cb 1.19 0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 40.15 1iwo h ASP 408 CO 0.49 -0.58 1.00 1.23 -1.57 0.00 0.00 179.24 179.80 1iwo h GLY 409 N -1.24 0.00 1.89 2.75 0.00 -1.92 0.84 103.07 105.39 1iwo h GLY 409 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1iwo h GLY 409 CO 0.18 0.00 -0.10 1.41 0.00 0.00 0.00 176.54 178.03 1iwo h LEU 410 N 0.00 0.00 0.21 3.11 3.38 -1.83 -1.34 115.31 118.84 1iwo h LEU 410 Ca 0.63 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 58.30 1iwo h LEU 410 Cb 2.61 0.00 0.03 0.00 0.09 0.00 0.00 40.66 43.39 1iwo h LEU 410 CO -0.01 0.01 -1.29 0.58 0.09 0.00 0.00 178.44 177.82 1iwo h VAL 411 N 0.00 1.33 -0.03 1.22 2.07 0.82 -2.29 116.25 119.37 1iwo h VAL 411 Ca 0.00 -2.63 -0.01 0.00 0.82 0.00 0.00 66.70 64.88 1iwo h VAL 411 Cb 0.91 3.07 -0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1iwo h VAL 411 CO 0.00 0.78 -0.01 -0.08 0.02 0.00 0.00 177.57 178.28 1iwo h GLU 412 N -0.03 0.05 -0.85 1.57 4.81 -1.56 -0.31 114.58 118.26 1iwo h GLU 412 Ca -0.23 -0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.20 1iwo h GLU 412 Cb 1.99 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 31.23 1iwo h GLU 412 CO 0.23 0.45 0.22 1.25 -0.73 0.00 0.00 179.01 180.43 1iwo h LEU 413 N -0.35 -0.01 -1.34 1.64 7.12 -1.34 1.91 115.31 122.95 1iwo h LEU 413 Ca 0.01 0.19 -0.06 0.00 0.13 0.00 0.00 57.88 58.14 1iwo h LEU 413 Cb 0.44 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.81 1iwo h LEU 413 CO 0.00 -0.13 -0.29 0.00 -0.13 0.00 0.00 178.44 177.90 1iwo h ALA 414 N 1.75 1.20 0.12 1.25 0.00 -1.06 -2.55 119.26 119.98 1iwo h ALA 414 Ca 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1iwo h ALA 414 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1iwo h ALA 414 CO -0.63 0.36 -0.06 1.15 0.00 0.00 0.00 179.25 180.06 1iwo h THR 415 N 0.00 0.00 -0.39 0.00 2.02 0.48 -2.53 112.91 112.49 1iwo h THR 415 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1iwo h THR 415 Cb 0.65 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 1iwo h THR 415 CO 0.04 0.00 -0.32 0.40 0.37 0.00 0.00 175.52 176.01 1iwo h ILE 416 N -0.17 0.00 -1.23 3.11 2.04 -1.39 0.47 117.51 120.34 1iwo h ILE 416 Ca -0.02 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.27 1iwo h ILE 416 Cb 0.13 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.09 1iwo h ILE 416 CO 0.02 0.00 0.78 0.00 0.00 0.00 0.00 178.15 178.96 1iwo h ALA 418 N 1.43 0.25 0.00 0.00 0.00 0.17 -3.28 119.26 117.83 1iwo h ALA 418 Ca 0.79 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1iwo h ALA 418 Cb 2.53 0.69 0.00 0.00 0.00 0.00 0.00 17.79 21.01 1iwo h ALA 418 CO -0.43 0.68 0.00 -0.07 0.00 0.00 0.00 179.25 179.44 1iwo h LEU 419 N -0.96 0.00 -1.84 0.00 3.38 0.13 -3.09 115.31 112.94 1iwo h LEU 419 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1iwo h LEU 419 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1iwo h LEU 419 CO -0.19 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.34 1iwo s ASN 421 N -1.91 5.88 0.00 0.00 3.84 -1.17 -4.96 114.94 116.62 1iwo s ASN 421 Ca 0.31 0.73 0.14 0.00 0.21 0.00 0.00 52.86 54.25 1iwo s ASN 421 Cb 0.21 -1.89 0.22 0.00 -0.55 0.00 0.00 41.25 39.24 1iwo s ASN 421 CO 0.31 -0.83 1.08 0.47 -2.79 0.00 0.00 177.10 175.34 1iwo n ASP 422 N -2.39 0.49 -4.41 -4.21 9.92 -1.26 -5.00 116.55 109.70 1iwo n ASP 422 Ca 0.03 -1.98 -0.21 0.00 -0.53 0.00 0.00 54.79 52.09 1iwo n ASP 422 Cb 0.57 -0.23 -0.10 0.00 -0.64 0.00 0.00 41.12 40.71 1iwo n ASP 422 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1iwo s SER 423 N -1.50 3.07 0.32 -2.24 0.01 -1.26 -4.85 113.70 107.24 1iwo s SER 423 Ca 0.18 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 56.45 1iwo s SER 423 Cb 0.20 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 1iwo s SER 423 CO -0.09 -0.07 0.03 -0.94 0.41 0.00 0.00 173.24 172.58 1iwo s SER 424 N -3.41 2.51 0.48 2.44 1.04 0.00 -4.90 113.70 111.86 1iwo s SER 424 Ca 0.26 -1.33 0.04 0.00 0.48 0.00 0.00 55.95 55.40 1iwo s SER 424 Cb -0.03 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1iwo s SER 424 CO 0.11 -0.54 0.05 -0.76 0.98 0.00 0.00 173.24 173.07 1iwo s LEU 425 N -3.48 2.55 -0.30 2.42 1.02 -1.26 -1.80 118.68 117.83 1iwo s LEU 425 Ca 0.35 -1.50 -0.25 0.00 0.02 0.00 0.00 54.13 52.75 1iwo s LEU 425 Cb 0.08 -0.87 0.18 0.00 0.02 0.00 0.00 46.19 45.60 1iwo s LEU 425 CO 0.15 -0.73 1.36 -0.62 0.02 0.00 0.00 176.35 176.53 1iwo s ASP 426 N -3.86 -0.13 -0.39 2.29 2.15 -1.22 -4.89 116.67 110.63 1iwo s ASP 426 Ca 0.19 0.24 -0.18 0.00 0.43 0.00 0.00 52.55 53.23 1iwo s ASP 426 Cb 0.04 0.28 0.01 0.00 -0.30 0.00 0.00 42.92 42.95 1iwo s ASP 426 CO 0.10 -0.04 0.48 0.12 -0.17 0.00 0.00 175.17 175.66 1iwo s PHE 427 N 0.11 3.16 0.47 -5.34 5.36 -1.26 -1.34 117.98 119.14 1iwo s PHE 427 Ca 0.06 -0.10 -0.24 0.00 -0.96 0.00 0.00 56.93 55.69 1iwo s PHE 427 Cb -0.05 -2.94 -0.07 0.00 -0.34 0.00 0.00 43.02 39.62 1iwo s PHE 427 CO -0.14 -0.64 1.31 1.21 -1.46 0.00 0.00 175.22 175.51 1iwo s ASN 428 N 1.81 5.88 -0.02 6.13 3.84 -0.08 -4.85 114.94 127.65 1iwo s ASN 428 Ca 0.16 2.66 -0.01 0.00 0.21 0.00 0.00 52.86 55.88 1iwo s ASN 428 Cb -0.16 -2.63 -0.00 0.00 -0.55 0.00 0.00 41.25 37.90 1iwo s ASN 428 CO 0.14 -1.14 -0.03 -0.33 -2.79 0.00 0.00 177.10 172.95 1iwo h GLU 429 N 2.11 0.00 -0.85 0.43 4.39 -1.94 -1.19 114.58 117.53 1iwo h GLU 429 Ca -0.50 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.37 1iwo h GLU 429 Cb 1.27 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.76 1iwo h GLU 429 CO 0.60 0.00 -0.23 1.15 -1.16 0.00 0.00 179.01 179.37 1iwo h THR 430 N -0.19 0.14 0.00 1.13 2.02 -1.99 0.10 112.91 114.13 1iwo h THR 430 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1iwo h THR 430 Cb 0.07 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1iwo h THR 430 CO 0.00 0.00 -0.84 0.11 0.37 0.00 0.00 175.52 175.16 1iwo h LYS 431 N -0.01 0.00 -5.07 6.66 6.56 -1.99 -3.48 116.57 119.25 1iwo h LYS 431 Ca 0.40 0.00 -0.39 0.00 -1.06 0.00 0.00 60.65 59.60 1iwo h LYS 431 Cb 0.62 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.26 1iwo h LYS 431 CO -0.88 0.03 -0.58 0.41 -2.06 0.00 0.00 179.45 176.37 1iwo n GLY 432 N 1.18 -0.50 3.31 3.86 0.00 0.35 -4.97 105.19 108.42 1iwo n GLY 432 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1iwo n GLY 432 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwo s VAL 433 N -3.05 1.42 -0.18 1.61 0.11 -1.20 -4.90 120.40 114.21 1iwo s VAL 433 Ca 0.37 -2.12 -0.29 0.00 -2.93 0.00 0.00 61.98 57.00 1iwo s VAL 433 Cb -0.18 -2.02 -0.00 0.00 -1.53 0.00 0.00 36.38 32.64 1iwo s VAL 433 CO 0.45 -0.61 1.15 -0.31 -3.33 0.00 0.00 175.10 172.45 1iwo s TYR 434 N -3.17 3.11 0.22 1.54 1.51 -1.26 -0.90 117.35 118.39 1iwo s TYR 434 Ca 0.21 1.25 0.05 0.00 -1.01 0.00 0.00 57.07 57.57 1iwo s TYR 434 Cb 0.02 -3.38 -0.03 0.00 -0.11 0.00 0.00 41.96 38.45 1iwo s TYR 434 CO 0.05 -1.08 0.31 -1.21 -1.11 0.00 0.00 175.55 172.50 1iwo s GLU 435 N 3.22 3.33 -0.15 -0.62 0.41 -0.45 -4.69 118.70 119.75 1iwo s GLU 435 Ca 0.50 -0.78 -0.06 0.00 -0.41 0.00 0.00 54.97 54.22 1iwo s GLU 435 Cb -0.19 -2.84 -0.04 0.00 -1.78 0.00 0.00 34.13 29.28 1iwo s GLU 435 CO 0.11 0.45 0.05 -1.59 -0.49 0.00 0.00 175.26 173.79 1iwo s LYS 436 N -3.76 3.70 -0.31 1.61 -2.85 -1.26 -3.39 119.74 113.48 1iwo s LYS 436 Ca 0.34 -0.36 0.01 0.00 -1.00 0.00 0.00 55.97 54.96 1iwo s LYS 436 Cb -0.09 -3.09 0.07 0.00 -2.06 0.00 0.00 37.83 32.66 1iwo s LYS 436 CO 0.28 0.40 0.00 0.08 0.10 0.00 0.00 175.35 176.21 1iwo s VAL 437 N -0.01 2.56 0.00 1.79 1.01 -0.75 -5.03 120.40 119.98 1iwo s VAL 437 Ca 0.05 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1iwo s VAL 437 Cb -0.12 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1iwo s VAL 437 CO 0.01 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1iwo n GLY 438 N 4.46 -0.12 3.77 4.51 0.00 -1.26 -0.82 105.19 115.72 1iwo n GLY 438 Ca -0.08 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 1iwo n GLY 438 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iwo n GLU 439 N 0.00 2.63 0.42 1.61 4.07 -1.26 -4.86 120.64 123.25 1iwo n GLU 439 Ca 0.00 0.92 -0.19 0.00 -0.06 0.00 0.00 57.16 57.83 1iwo n GLU 439 Cb 0.00 -2.65 -0.09 0.00 -0.06 0.00 0.00 31.44 28.64 1iwo n GLU 439 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1iwo h ALA 440 N 3.07 -1.27 0.00 4.31 0.00 -1.95 -1.42 119.26 122.00 1iwo h ALA 440 Ca -0.50 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1iwo h ALA 440 Cb 1.24 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1iwo h ALA 440 CO 0.65 -1.22 0.46 1.15 0.00 0.00 0.00 179.25 180.29 1iwo h THR 441 N -1.17 0.00 0.00 0.00 2.02 -1.95 -2.21 112.91 109.60 1iwo h THR 441 Ca -0.11 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 1iwo h THR 441 Cb 0.93 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1iwo h THR 441 CO 0.11 0.00 -0.99 -0.62 0.37 0.00 0.00 175.52 174.39 1iwo n GLU 442 N -2.32 0.51 -0.46 6.66 1.02 -0.77 -3.80 120.64 121.48 1iwo n GLU 442 Ca -0.01 0.45 0.37 0.00 -0.02 0.00 0.00 57.16 57.96 1iwo n GLU 442 Cb 0.49 -1.64 0.66 0.00 -0.02 0.00 0.00 31.44 30.93 1iwo n GLU 442 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1iwo h THR 443 N -1.00 0.15 -0.18 2.62 2.02 -0.68 1.89 112.91 117.73 1iwo h THR 443 Ca -0.16 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1iwo h THR 443 Cb 0.91 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1iwo h THR 443 CO -0.10 0.02 -0.04 0.00 0.37 0.00 0.00 175.52 175.78 1iwo h ALA 444 N 1.53 0.25 -0.26 6.16 0.00 -1.65 0.46 119.26 125.75 1iwo h ALA 444 Ca 0.80 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.50 1iwo h ALA 444 Cb 2.60 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.32 1iwo h ALA 444 CO -0.34 0.01 0.17 -0.07 0.00 0.00 0.00 179.25 179.02 1iwo h LEU 445 N 0.07 0.20 0.31 0.00 4.07 0.27 0.12 115.31 120.35 1iwo h LEU 445 Ca 0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1iwo h LEU 445 Cb 0.47 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1iwo h LEU 445 CO 0.02 0.14 -0.15 0.74 -1.08 0.00 0.00 178.44 178.10 1iwo h THR 446 N 0.23 0.54 -1.15 0.22 2.02 -0.18 -3.00 112.91 111.58 1iwo h THR 446 Ca 0.11 -0.77 0.33 0.00 0.77 0.00 0.00 66.41 66.85 1iwo h THR 446 Cb 0.15 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1iwo h THR 446 CO -0.02 0.12 0.81 0.74 0.37 0.00 0.00 175.52 177.54 1iwo h THR 447 N -0.92 0.43 0.11 3.16 2.02 0.11 0.95 112.91 118.77 1iwo h THR 447 Ca -0.04 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1iwo h THR 447 Cb 0.51 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1iwo h THR 447 CO 0.07 0.01 -0.06 0.25 0.37 0.00 0.00 175.52 176.17 1iwo h LEU 448 N 0.08 -0.13 -0.90 2.58 5.85 -0.67 -2.22 115.31 119.90 1iwo h LEU 448 Ca 0.57 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 59.15 1iwo h LEU 448 Cb 2.10 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 43.14 1iwo h LEU 448 CO -0.07 -0.02 -0.03 -0.37 -0.34 0.00 0.00 178.44 177.60 1iwo h VAL 449 N -0.23 1.25 0.00 1.05 -1.51 -0.82 -0.74 116.25 115.25 1iwo h VAL 449 Ca -0.02 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 1iwo h VAL 449 Cb 0.18 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1iwo h VAL 449 CO 0.03 0.36 0.00 -0.62 -1.23 0.00 0.00 177.57 176.11 1iwo n GLU 450 N -4.20 0.08 -0.01 5.19 -0.58 -0.57 -1.95 120.64 118.60 1iwo n GLU 450 Ca 0.02 0.58 -0.01 0.00 -0.42 0.00 0.00 57.16 57.33 1iwo n GLU 450 Cb 0.32 -1.77 -0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1iwo n GLU 450 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1iwo n LYS 451 N -1.95 0.04 -0.25 3.49 5.02 -0.56 -4.67 118.16 119.29 1iwo n LYS 451 Ca -0.01 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1iwo n LYS 451 Cb 0.03 -0.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.58 1iwo n LYS 451 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1iwo n MET 452 N -2.67 -0.13 -3.76 1.97 2.81 -0.39 -4.80 117.12 110.15 1iwo n MET 452 Ca -0.01 1.02 -0.23 0.00 -1.81 0.00 0.00 57.70 56.67 1iwo n MET 452 Cb 0.04 -1.52 0.02 0.00 -0.71 0.00 0.00 33.22 31.05 1iwo n MET 452 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1iwo n ASN 453 N -5.00 -1.20 0.00 7.83 2.85 -0.82 -4.24 115.26 114.67 1iwo n ASN 453 Ca 0.08 -0.87 0.00 0.00 -0.11 0.00 0.00 54.58 53.67 1iwo n ASN 453 Cb 0.28 -3.79 0.00 0.00 1.24 0.00 0.00 39.78 37.51 1iwo n ASN 453 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1iwo n VAL 454 N -4.28 0.08 -0.51 3.44 0.24 -1.26 -1.65 118.33 114.39 1iwo n VAL 454 Ca -0.29 0.03 0.01 0.00 -2.04 0.00 0.00 64.34 62.05 1iwo n VAL 454 Cb 0.68 -1.03 0.02 0.00 -1.47 0.00 0.00 33.84 32.03 1iwo n VAL 454 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1iwo n PHE 455 N -0.84 0.00 -3.91 6.34 3.72 -1.26 -4.23 117.46 117.28 1iwo n PHE 455 Ca 0.00 -0.41 -0.36 0.00 -0.05 0.00 0.00 57.45 56.63 1iwo n PHE 455 Cb 0.01 -0.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.52 1iwo n PHE 455 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1iwo n ASN 456 N -0.47 -4.63 -4.66 4.37 3.02 -0.66 -4.93 115.26 107.31 1iwo n ASN 456 Ca 0.02 -1.11 -0.38 0.00 -0.03 0.00 0.00 54.58 53.08 1iwo n ASN 456 Cb 0.39 -1.91 -0.08 0.00 -0.61 0.00 0.00 39.78 37.56 1iwo n ASN 456 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1iwo s THR 457 N -3.30 5.26 -0.12 3.41 2.01 -1.26 -5.01 115.64 116.63 1iwo s THR 457 Ca 0.29 0.47 -0.35 0.00 0.31 0.00 0.00 61.69 62.41 1iwo s THR 457 Cb -0.15 -3.63 -0.12 0.00 0.01 0.00 0.00 72.50 68.61 1iwo s THR 457 CO 0.93 0.28 1.87 -0.62 -0.69 0.00 0.00 174.62 176.39 1iwo n GLU 458 N 4.48 2.03 0.00 4.92 -0.58 -1.26 -4.82 120.64 125.42 1iwo n GLU 458 Ca -0.11 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 1iwo n GLU 458 Cb 0.51 -2.57 0.00 0.00 -0.57 0.00 0.00 31.44 28.81 1iwo n GLU 458 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1iwo n VAL 459 N 5.10 0.00 1.16 2.62 0.24 -1.26 -4.61 118.33 121.59 1iwo n VAL 459 Ca 0.23 -0.01 0.04 0.00 -2.04 0.00 0.00 64.34 62.57 1iwo n VAL 459 Cb 0.27 0.44 0.25 0.00 -1.47 0.00 0.00 33.84 33.34 1iwo n VAL 459 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1iwo n ARG 460 N -1.30 0.58 -0.00 7.34 1.85 -1.26 -1.05 116.66 122.82 1iwo n ARG 460 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 1iwo n ARG 460 Cb 0.00 -1.23 -0.08 0.00 -1.05 0.00 0.00 32.46 30.10 1iwo n ARG 460 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1iwo n ASN 461 N -0.73 1.01 -4.75 2.89 5.03 -1.26 -4.97 115.26 112.48 1iwo n ASN 461 Ca 0.06 -0.57 -0.32 0.00 0.87 0.00 0.00 54.58 54.63 1iwo n ASN 461 Cb 0.03 1.16 -0.07 0.00 -1.02 0.00 0.00 39.78 39.88 1iwo n ASN 461 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1iwo s LEU 462 N -2.95 3.74 0.00 3.41 1.43 -0.21 -5.12 118.68 118.98 1iwo s LEU 462 Ca 0.02 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1iwo s LEU 462 Cb 0.09 -2.25 0.18 0.00 0.03 0.00 0.00 46.19 44.24 1iwo s LEU 462 CO 0.51 0.24 0.45 -1.54 0.23 0.00 0.00 176.35 176.24 1iwo n SER 463 N 1.01 -2.74 -0.12 2.29 3.41 -1.26 -4.65 113.62 111.56 1iwo n SER 463 Ca -0.12 -0.52 -0.13 0.00 -0.26 0.00 0.00 58.87 57.84 1iwo n SER 463 Cb 0.52 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1iwo n SER 463 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1iwo h LYS 464 N 0.00 0.86 -0.12 4.33 1.63 -1.99 -3.05 116.57 118.23 1iwo h LYS 464 Ca -0.20 -0.43 -0.17 0.00 -0.85 0.00 0.00 60.65 59.00 1iwo h LYS 464 Cb 0.64 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1iwo h LYS 464 CO 0.12 1.08 -0.65 0.28 -3.45 0.00 0.00 179.45 176.82 1iwo h VAL 465 N 0.65 1.35 0.72 2.00 2.07 -1.91 -3.35 116.25 117.79 1iwo h VAL 465 Ca 0.06 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.56 1iwo h VAL 465 Cb 0.89 1.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1iwo h VAL 465 CO 0.08 0.60 -0.35 -0.33 0.02 0.00 0.00 177.57 177.60 1iwo h GLU 466 N 0.33 -0.93 -0.41 1.57 5.08 -1.87 -2.92 114.58 115.43 1iwo h GLU 466 Ca -0.01 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1iwo h GLU 466 Cb 1.21 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1iwo h GLU 466 CO 0.11 -0.62 0.00 2.89 -1.00 0.00 0.00 179.01 180.39 1iwo n ARG 467 N -4.89 0.37 0.08 2.33 1.85 -1.16 -3.74 116.66 111.51 1iwo n ARG 467 Ca -0.12 0.00 0.17 0.00 -1.00 0.00 0.00 57.85 56.90 1iwo n ARG 467 Cb 0.38 -1.19 0.69 0.00 -1.05 0.00 0.00 32.46 31.29 1iwo n ARG 467 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iwo h ALA 468 N 1.39 2.32 -0.18 2.89 0.00 -1.64 -3.08 119.26 120.97 1iwo h ALA 468 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1iwo h ALA 468 Cb 0.19 0.03 -0.34 0.00 0.00 0.00 0.00 17.79 17.67 1iwo h ALA 468 CO 0.00 -0.47 -0.90 0.09 0.00 0.00 0.00 179.25 177.97 1iwo n ASN 469 N -4.37 0.74 0.00 0.00 3.02 -1.25 -4.59 115.26 108.82 1iwo n ASN 469 Ca 0.06 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1iwo n ASN 469 Cb 0.46 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1iwo n ASN 469 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iwo n ALA 470 N -0.24 -0.02 0.13 5.41 0.00 -1.17 -0.33 120.51 124.29 1iwo n ALA 470 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1iwo n ALA 470 Cb 0.93 0.13 0.33 0.00 0.00 0.00 0.00 19.45 20.84 1iwo n ALA 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwo h ASN 472 N 0.00 0.00 -0.98 0.00 2.35 -1.81 -3.21 115.58 111.94 1iwo h ASN 472 Ca 0.00 -0.27 0.20 0.00 -0.55 0.00 0.00 56.30 55.68 1iwo h ASN 472 Cb 0.42 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.69 1iwo h ASN 472 CO 0.00 0.79 0.62 0.77 -1.65 0.00 0.00 177.43 177.95 1iwo h SER 473 N -1.00 0.65 -0.65 5.81 4.64 0.41 0.12 113.55 123.53 1iwo h SER 473 Ca -0.04 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1iwo h SER 473 Cb 0.49 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1iwo h SER 473 CO -0.03 0.23 0.43 0.58 -0.87 0.00 0.00 176.83 177.17 1iwo h VAL 474 N 0.63 1.17 0.00 0.95 2.07 -1.60 -1.39 116.25 118.07 1iwo h VAL 474 Ca 0.55 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1iwo h VAL 474 Cb 1.04 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1iwo h VAL 474 CO -0.31 0.16 0.00 0.40 0.02 0.00 0.00 177.57 177.84 1iwo h ILE 475 N 0.88 0.00 0.00 4.57 2.04 -0.86 -2.73 117.51 121.42 1iwo h ILE 475 Ca 0.24 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1iwo h ILE 475 Cb -0.10 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1iwo h ILE 475 CO -0.05 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.64 1iwo n ARG 476 N -2.82 0.27 -0.09 2.37 1.74 0.02 -3.10 116.66 115.05 1iwo n ARG 476 Ca 0.03 0.06 -0.17 0.00 -0.77 0.00 0.00 57.85 57.00 1iwo n ARG 476 Cb 0.42 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.23 1iwo n ARG 476 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1iwo n GLN 477 N -1.34 0.68 -0.17 5.56 1.13 -1.03 -4.33 117.38 117.88 1iwo n GLN 477 Ca 0.10 0.16 0.10 0.00 -1.94 0.00 0.00 57.00 55.43 1iwo n GLN 477 Cb 0.22 -1.58 0.41 0.00 0.11 0.00 0.00 30.24 29.40 1iwo n GLN 477 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1iwo h LEU 478 N 0.02 0.55 -7.94 1.08 4.07 -1.55 -3.41 115.31 108.12 1iwo h LEU 478 Ca -0.52 0.01 -0.48 0.00 0.08 0.00 0.00 57.88 56.98 1iwo h LEU 478 Cb 1.99 -0.10 -0.33 0.00 1.08 0.00 0.00 40.66 43.30 1iwo h LEU 478 CO -0.02 0.33 -0.80 -0.04 -1.08 0.00 0.00 178.44 176.82 1iwo s MET 479 N -5.57 1.36 -0.34 1.13 -1.94 -1.23 -4.13 119.30 108.57 1iwo s MET 479 Ca -0.09 -0.34 -0.20 0.00 -1.71 0.00 0.00 55.69 53.36 1iwo s MET 479 Cb 0.20 -1.18 -0.00 0.00 2.01 0.00 0.00 34.83 35.86 1iwo s MET 479 CO 0.77 0.04 0.60 0.21 -0.01 0.00 0.00 175.02 176.63 1iwo s LYS 480 N 0.57 3.71 -0.46 2.03 2.20 0.16 -4.75 119.74 123.20 1iwo s LYS 480 Ca -0.11 0.04 -0.28 0.00 -0.36 0.00 0.00 55.97 55.26 1iwo s LYS 480 Cb -0.14 -3.79 0.01 0.00 -1.51 0.00 0.00 37.83 32.40 1iwo s LYS 480 CO 0.02 -0.68 1.43 0.21 -0.36 0.00 0.00 175.35 175.98 1iwo s LYS 481 N 2.60 3.46 0.00 4.03 2.20 -1.26 -1.40 119.74 129.37 1iwo s LYS 481 Ca 0.23 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1iwo s LYS 481 Cb -0.15 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.10 1iwo s LYS 481 CO 0.14 -1.72 0.36 0.39 -0.36 0.00 0.00 175.35 174.16 1iwo n GLU 482 N 8.29 0.00 -2.75 4.03 -0.58 -0.01 -4.96 120.64 124.66 1iwo n GLU 482 Ca 0.15 0.08 -0.07 0.00 -0.42 0.00 0.00 57.16 56.90 1iwo n GLU 482 Cb 0.48 -0.89 -0.02 0.00 -0.57 0.00 0.00 31.44 30.44 1iwo n GLU 482 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1iwo n PHE 483 N -0.74 -0.08 -3.74 -0.32 -1.74 -1.12 -5.03 117.46 104.69 1iwo n PHE 483 Ca 0.00 -0.87 -0.12 0.00 -0.56 0.00 0.00 57.45 55.90 1iwo n PHE 483 Cb 0.00 0.04 -0.12 0.00 1.52 0.00 0.00 39.48 40.92 1iwo n PHE 483 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1iwo s THR 484 N -2.20 -0.02 -0.85 1.97 -4.23 -1.26 -1.77 115.64 107.28 1iwo s THR 484 Ca 0.09 0.07 -0.18 0.00 -1.18 0.00 0.00 61.69 60.50 1iwo s THR 484 Cb 0.00 -0.45 0.15 0.00 1.34 0.00 0.00 72.50 73.54 1iwo s THR 484 CO 0.06 0.03 0.97 -0.76 -0.54 0.00 0.00 174.62 174.39 1iwo s LEU 485 N 0.84 5.52 0.38 4.79 1.43 -1.05 -4.97 118.68 125.61 1iwo s LEU 485 Ca -0.06 -2.09 -0.23 0.00 -1.03 0.00 0.00 54.13 50.72 1iwo s LEU 485 Cb -0.07 -2.34 -0.15 0.00 0.03 0.00 0.00 46.19 43.67 1iwo s LEU 485 CO -0.06 -0.96 0.35 -1.84 0.23 0.00 0.00 176.35 174.07 1iwo n GLU 486 N 5.89 0.25 -1.73 1.70 -0.00 -1.26 -2.68 120.64 122.80 1iwo n GLU 486 Ca 0.16 0.09 -0.38 0.00 -0.00 0.00 0.00 57.16 57.03 1iwo n GLU 486 Cb 0.48 -1.22 0.05 0.00 -0.00 0.00 0.00 31.44 30.76 1iwo n GLU 486 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1iwo n PHE 487 N -0.78 2.11 -3.83 -1.84 7.35 -1.26 -4.83 117.46 114.38 1iwo n PHE 487 Ca 0.12 0.43 -0.12 0.00 -0.76 0.00 0.00 57.45 57.12 1iwo n PHE 487 Cb 0.37 -2.32 -0.13 0.00 0.35 0.00 0.00 39.48 37.76 1iwo n PHE 487 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1iwo s SER 488 N -1.12 -0.12 0.09 -2.13 1.04 -1.23 -4.99 113.70 105.23 1iwo s SER 488 Ca 0.77 0.22 0.06 0.00 0.48 0.00 0.00 55.95 57.48 1iwo s SER 488 Cb -0.40 0.25 0.32 0.00 0.10 0.00 0.00 66.02 66.29 1iwo s SER 488 CO 0.45 -0.06 1.18 0.54 0.98 0.00 0.00 173.24 176.34 1iwo n ARG 489 N 2.94 0.04 0.00 4.02 1.74 -1.26 -1.18 116.66 122.96 1iwo n ARG 489 Ca -0.13 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1iwo n ARG 489 Cb 0.59 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1iwo n ARG 489 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1iwo n ASP 490 N -1.71 0.00 -0.55 0.55 2.03 -1.26 -3.80 116.55 111.81 1iwo n ASP 490 Ca -0.00 0.56 0.04 0.00 0.52 0.00 0.00 54.79 55.91 1iwo n ASP 490 Cb 0.01 -0.30 0.12 0.00 -0.72 0.00 0.00 41.12 40.23 1iwo n ASP 490 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1iwo n ARG 491 N -1.40 1.71 -3.71 -0.67 0.00 -1.21 -4.90 116.66 106.48 1iwo n ARG 491 Ca 0.00 -0.96 -0.22 0.00 -0.00 0.00 0.00 57.85 56.67 1iwo n ARG 491 Cb 0.00 -1.28 -0.05 0.00 -0.00 0.00 0.00 32.46 31.13 1iwo n ARG 491 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1iwo n LYS 492 N 0.26 -0.89 -3.82 2.89 5.02 -0.33 -4.76 118.16 116.54 1iwo n LYS 492 Ca 0.09 0.02 -0.07 0.00 -2.02 0.00 0.00 58.31 56.33 1iwo n LYS 492 Cb 0.27 -2.11 -0.02 0.00 -0.02 0.00 0.00 35.03 33.15 1iwo n LYS 492 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1iwo s SER 493 N -3.92 -0.29 -0.00 4.39 1.04 -1.25 -2.05 113.70 111.63 1iwo s SER 493 Ca 0.05 -0.55 -0.07 0.00 0.48 0.00 0.00 55.95 55.86 1iwo s SER 493 Cb -0.03 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1iwo s SER 493 CO 0.64 -1.31 0.14 -0.32 0.98 0.00 0.00 173.24 173.37 1iwo s MET 494 N -3.90 0.47 0.27 4.02 0.00 -0.12 -3.54 119.30 116.50 1iwo s MET 494 Ca 0.10 -0.35 0.04 0.00 0.00 0.00 0.00 55.69 55.48 1iwo s MET 494 Cb -0.05 0.20 -0.02 0.00 0.00 0.00 0.00 34.83 34.96 1iwo s MET 494 CO 0.05 -0.11 0.16 -1.13 0.00 0.00 0.00 175.02 173.99 1iwo n SER 495 N 1.55 0.34 -3.56 1.11 3.41 -1.09 0.24 113.62 115.62 1iwo n SER 495 Ca -0.22 -2.61 -0.01 0.00 -0.26 0.00 0.00 58.87 55.76 1iwo n SER 495 Cb 0.56 0.99 -0.05 0.00 -0.26 0.00 0.00 64.21 65.45 1iwo n SER 495 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iwo s VAL 496 N -2.84 -0.48 -0.07 -3.33 0.11 -1.11 -2.54 120.40 110.14 1iwo s VAL 496 Ca 0.22 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.12 1iwo s VAL 496 Cb 0.01 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 1iwo s VAL 496 CO 0.16 0.00 0.39 -0.47 -3.33 0.00 0.00 175.10 171.85 1iwo s TYR 497 N 2.26 3.62 0.03 1.54 6.14 -0.73 -1.34 117.35 128.87 1iwo s TYR 497 Ca -0.06 0.87 -0.27 0.00 0.64 0.00 0.00 57.07 58.25 1iwo s TYR 497 Cb -0.07 -2.35 0.09 0.00 0.42 0.00 0.00 41.96 40.05 1iwo s TYR 497 CO -0.18 0.45 0.79 0.00 0.64 0.00 0.00 175.55 177.25 1iwo s SER 499 N -2.36 3.19 0.22 0.00 1.04 -0.49 -1.10 113.70 114.20 1iwo s SER 499 Ca 0.02 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1iwo s SER 499 Cb -0.01 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1iwo s SER 499 CO -0.08 -0.65 0.00 -2.65 0.98 0.00 0.00 173.24 170.84 1iwo n PRO 500 N -0.90 0.42 0.00 4.02 -0.02 -1.26 0.40 135.00 137.66 1iwo n PRO 500 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1iwo n PRO 500 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.15 1iwo n PRO 500 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iwo n ALA 501 N -2.97 1.09 -2.39 3.55 0.00 -1.26 -3.93 120.51 114.59 1iwo n ALA 501 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1iwo n ALA 501 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1iwo n ALA 501 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1iwo n LYS 502 N -0.07 2.78 -4.35 0.00 3.00 -1.26 -5.07 118.16 113.19 1iwo n LYS 502 Ca 0.00 -3.91 -0.27 0.00 -0.00 0.00 0.00 58.31 54.13 1iwo n LYS 502 Cb 0.26 -1.97 -0.11 0.00 0.00 0.00 0.00 35.03 33.21 1iwo n LYS 502 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1iwo s SER 503 N -3.64 3.83 0.00 3.14 0.01 -1.26 -5.12 113.70 110.67 1iwo s SER 503 Ca 0.41 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1iwo s SER 503 Cb 0.38 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1iwo s SER 503 CO -0.01 0.12 0.00 -1.54 0.41 0.00 0.00 173.24 172.22 1iwo n SER 504 N 0.25 0.00 -4.44 2.44 3.41 -1.26 -5.08 113.62 108.94 1iwo n SER 504 Ca -0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.05 1iwo n SER 504 Cb 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1iwo n SER 504 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1iwo s ARG 505 N 4.59 2.99 -0.30 4.33 1.81 -1.26 -5.01 118.95 126.10 1iwo s ARG 505 Ca 0.00 -1.08 -0.16 0.00 -1.72 0.00 0.00 55.73 52.77 1iwo s ARG 505 Cb 0.00 -4.03 0.16 0.00 -0.45 0.00 0.00 34.95 30.63 1iwo s ARG 505 CO 0.00 -0.86 1.01 0.00 -0.68 0.00 0.00 175.30 174.77 1iwo s ALA 506 N 1.76 -2.53 0.00 2.13 0.00 -1.26 -5.09 121.76 116.77 1iwo s ALA 506 Ca 0.06 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1iwo s ALA 506 Cb -0.20 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1iwo s ALA 506 CO 0.09 -0.63 0.46 0.00 0.00 0.00 0.00 175.76 175.68 1iwo n ALA 507 N 4.25 0.00 -1.59 0.00 0.00 -1.26 -4.70 120.51 117.20 1iwo n ALA 507 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1iwo n ALA 507 Cb 0.55 0.23 0.08 0.00 0.00 0.00 0.00 19.45 20.31 1iwo n ALA 507 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iwo n VAL 508 N -1.56 4.19 0.00 0.00 0.31 -1.26 -4.63 118.33 115.39 1iwo n VAL 508 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1iwo n VAL 508 Cb 0.00 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1iwo n VAL 508 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iwo n GLY 509 N 0.96 0.83 3.29 2.92 0.00 -1.26 -5.09 105.19 106.84 1iwo n GLY 509 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1iwo n GLY 509 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iwo s ASN 510 N -1.61 2.96 0.08 1.61 0.02 -1.26 -4.03 114.94 112.70 1iwo s ASN 510 Ca 0.00 -0.46 0.09 0.00 -1.02 0.00 0.00 52.86 51.46 1iwo s ASN 510 Cb 0.00 -0.44 -0.03 0.00 0.02 0.00 0.00 41.25 40.80 1iwo s ASN 510 CO 0.00 0.29 -0.23 -0.54 0.02 0.00 0.00 177.10 176.64 1iwo s LYS 511 N -0.49 1.41 -0.23 -0.60 -0.14 -0.25 -4.36 119.74 115.07 1iwo s LYS 511 Ca 0.07 -1.12 0.01 0.00 -1.36 0.00 0.00 55.97 53.57 1iwo s LYS 511 Cb -0.11 -1.65 0.06 0.00 -1.68 0.00 0.00 37.83 34.45 1iwo s LYS 511 CO 0.00 0.41 -0.06 1.41 -0.76 0.00 0.00 175.35 176.35 1iwo s MET 512 N -1.56 1.69 -0.59 1.68 1.75 -1.00 -0.95 119.30 120.32 1iwo s MET 512 Ca 0.09 -0.95 -0.18 0.00 -1.25 0.00 0.00 55.69 53.40 1iwo s MET 512 Cb -0.10 -2.54 0.11 0.00 2.84 0.00 0.00 34.83 35.15 1iwo s MET 512 CO 0.03 -0.56 0.67 -0.06 -0.65 0.00 0.00 175.02 174.45 1iwo s PHE 513 N 1.40 3.06 0.01 4.11 0.08 -0.45 0.74 117.98 126.94 1iwo s PHE 513 Ca -0.05 -1.05 -0.24 0.00 0.12 0.00 0.00 56.93 55.71 1iwo s PHE 513 Cb -0.18 -3.98 -0.05 0.00 -0.57 0.00 0.00 43.02 38.24 1iwo s PHE 513 CO -0.07 -1.24 0.74 0.08 -0.10 0.00 0.00 175.22 174.64 1iwo s VAL 514 N 2.44 4.83 -0.25 -0.44 1.01 -0.83 -2.77 120.40 124.39 1iwo s VAL 514 Ca 0.10 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 63.63 1iwo s VAL 514 Cb -0.25 -4.09 0.08 0.00 0.00 0.00 0.00 36.38 32.12 1iwo s VAL 514 CO 0.05 0.33 0.06 -0.75 0.00 0.00 0.00 175.10 174.80 1iwo s LYS 515 N 0.18 0.69 0.00 2.72 2.20 0.66 -2.17 119.74 124.02 1iwo s LYS 515 Ca 0.38 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1iwo s LYS 515 Cb -0.20 -2.01 0.00 0.00 -1.51 0.00 0.00 37.83 34.12 1iwo s LYS 515 CO 0.21 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 1iwo n GLY 516 N 4.97 3.01 3.73 5.54 0.00 -0.65 -0.94 105.19 120.85 1iwo n GLY 516 Ca -0.06 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1iwo n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwo s ALA 517 N -1.39 3.49 0.17 4.61 0.00 -0.87 0.19 121.76 127.96 1iwo s ALA 517 Ca 0.00 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.77 1iwo s ALA 517 Cb 0.00 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 19.75 1iwo s ALA 517 CO 0.00 -0.49 1.34 -2.30 0.00 0.00 0.00 175.76 174.31 1iwo n PRO 518 N 3.28 -0.28 0.00 0.00 -0.02 -1.26 -2.64 135.00 134.08 1iwo n PRO 518 Ca 0.08 1.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.88 1iwo n PRO 518 Cb 0.44 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1iwo n PRO 518 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1iwo n GLU 519 N -5.20 0.00 0.00 -0.52 0.00 -1.26 -0.86 120.64 112.80 1iwo n GLU 519 Ca 0.06 0.64 0.00 0.00 0.00 0.00 0.00 57.16 57.86 1iwo n GLU 519 Cb 0.30 -1.13 0.00 0.00 0.00 0.00 0.00 31.44 30.61 1iwo n GLU 519 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1iwo n GLY 520 N -0.99 -2.75 0.00 -1.84 0.00 -1.14 -1.50 105.19 96.97 1iwo n GLY 520 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1iwo n GLY 520 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iwo n VAL 521 N -2.39 0.00 -0.31 1.61 0.31 -1.08 0.25 118.33 116.72 1iwo n VAL 521 Ca 0.00 1.30 0.16 0.00 -0.01 0.00 0.00 64.34 65.79 1iwo n VAL 521 Cb 0.00 -1.75 0.33 0.00 -0.91 0.00 0.00 33.84 31.51 1iwo n VAL 521 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1iwo h ILE 522 N 0.00 0.25 0.00 2.52 2.04 -1.06 1.99 117.51 123.25 1iwo h ILE 522 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1iwo h ILE 522 Cb 0.00 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1iwo h ILE 522 CO 0.00 0.03 0.00 -0.67 0.00 0.00 0.00 178.15 177.51 1iwo n ASP 523 N -5.24 0.00 -0.01 1.72 2.03 0.14 -1.37 116.55 113.82 1iwo n ASP 523 Ca 0.24 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1iwo n ASP 523 Cb 0.77 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 1iwo n ASP 523 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1iwo n ARG 524 N -1.15 2.64 -3.66 -0.67 1.74 0.67 -5.00 116.66 111.22 1iwo n ARG 524 Ca 0.03 -1.42 -0.37 0.00 -0.77 0.00 0.00 57.85 55.32 1iwo n ARG 524 Cb 0.02 -1.00 -0.07 0.00 -1.02 0.00 0.00 32.46 30.39 1iwo n ARG 524 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwo n ASN 526 N 2.79 0.65 -4.06 0.00 3.02 0.18 -4.81 115.26 113.02 1iwo n ASN 526 Ca -0.15 -0.83 -0.12 0.00 -0.03 0.00 0.00 54.58 53.45 1iwo n ASN 526 Cb 0.53 0.92 -0.11 0.00 -0.61 0.00 0.00 39.78 40.51 1iwo n ASN 526 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1iwo s TYR 527 N -1.97 0.62 -0.07 3.10 2.02 -0.95 -1.97 117.35 118.12 1iwo s TYR 527 Ca 0.05 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1iwo s TYR 527 Cb 0.09 -0.38 -0.02 0.00 -0.40 0.00 0.00 41.96 41.25 1iwo s TYR 527 CO 0.43 -0.13 -0.15 0.08 -1.57 0.00 0.00 175.55 174.22 1iwo s VAL 528 N -1.80 2.95 -0.17 0.71 1.01 0.63 -1.15 120.40 122.58 1iwo s VAL 528 Ca -0.07 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1iwo s VAL 528 Cb -0.07 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1iwo s VAL 528 CO -0.01 0.57 0.20 -0.60 0.00 0.00 0.00 175.10 175.26 1iwo s ARG 529 N -0.38 4.14 -0.82 2.72 3.52 -1.05 -1.50 118.95 125.59 1iwo s ARG 529 Ca 0.04 -0.08 -0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1iwo s ARG 529 Cb -0.12 -3.40 0.20 0.00 -1.56 0.00 0.00 34.95 30.07 1iwo s ARG 529 CO 0.02 0.33 0.68 0.08 -0.81 0.00 0.00 175.30 175.60 1iwo s VAL 530 N 0.24 3.92 0.00 7.11 1.01 0.63 -4.47 120.40 128.84 1iwo s VAL 530 Ca 0.12 -3.90 0.00 0.00 0.00 0.00 0.00 61.98 58.20 1iwo s VAL 530 Cb -0.12 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1iwo s VAL 530 CO 0.01 -1.05 0.00 0.61 0.00 0.00 0.00 175.10 174.67 1iwo n GLY 531 N 2.34 1.57 0.12 4.51 0.00 -1.26 -2.25 105.19 110.22 1iwo n GLY 531 Ca 0.20 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 1iwo n GLY 531 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iwo n THR 532 N 0.00 1.56 -1.39 2.61 -1.04 -1.26 -4.11 114.28 110.64 1iwo n THR 532 Ca 0.00 -0.66 -0.32 0.00 -2.04 0.00 0.00 64.05 61.04 1iwo n THR 532 Cb 0.00 -1.32 0.08 0.00 -1.82 0.00 0.00 70.33 67.27 1iwo n THR 532 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1iwo s THR 533 N -2.53 3.11 0.00 12.58 2.01 -0.95 -5.05 115.64 124.80 1iwo s THR 533 Ca -0.26 0.43 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1iwo s THR 533 Cb 0.08 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 1iwo s THR 533 CO 0.70 -0.41 -0.02 -0.60 -0.69 0.00 0.00 174.62 173.60 1iwo s ARG 534 N -4.53 0.18 0.18 4.92 3.00 -1.26 -0.27 118.95 121.17 1iwo s ARG 534 Ca 0.65 -0.11 -0.01 0.00 -1.00 0.00 0.00 55.73 55.26 1iwo s ARG 534 Cb -0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 34.95 34.56 1iwo s ARG 534 CO 0.50 0.04 0.11 0.14 0.00 0.00 0.00 175.30 176.09 1iwo s VAL 535 N -0.13 0.06 0.00 7.11 -7.23 -0.56 -4.95 120.40 114.70 1iwo s VAL 535 Ca -0.00 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1iwo s VAL 535 Cb -0.01 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1iwo s VAL 535 CO -0.00 -0.14 0.00 -0.81 -0.31 0.00 0.00 175.10 173.84 1iwo n PRO 536 N -0.23 1.04 -4.27 4.82 -0.04 -1.26 -0.27 135.00 134.79 1iwo n PRO 536 Ca -0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.25 1iwo n PRO 536 Cb 0.65 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.95 1iwo n PRO 536 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1iwo s MET 537 N -0.11 0.97 0.23 0.54 -2.45 -0.83 -2.38 119.30 115.27 1iwo s MET 537 Ca 0.00 -0.19 0.03 0.00 -1.25 0.00 0.00 55.69 54.28 1iwo s MET 537 Cb 0.00 -0.91 -0.05 0.00 1.25 0.00 0.00 34.83 35.12 1iwo s MET 537 CO 0.00 -0.02 0.02 0.99 1.05 0.00 0.00 175.02 177.06 1iwo s THR 538 N 0.69 0.89 0.19 10.11 2.01 -1.26 -4.99 115.64 123.28 1iwo s THR 538 Ca -0.10 -2.01 -0.17 0.00 0.31 0.00 0.00 61.69 59.71 1iwo s THR 538 Cb -0.13 -2.40 0.15 0.00 0.01 0.00 0.00 72.50 70.12 1iwo s THR 538 CO 0.01 -0.26 1.63 1.23 -0.69 0.00 0.00 174.62 176.54 1iwo h GLY 539 N 2.46 0.20 0.00 4.40 0.00 -2.01 -1.48 103.07 106.64 1iwo h GLY 539 Ca -0.38 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1iwo h GLY 539 CO 0.64 -0.21 0.00 -1.05 0.00 0.00 0.00 176.54 175.92 1iwo n PRO 540 N -5.40 0.00 -0.35 4.80 -0.02 -1.26 -1.18 135.00 131.59 1iwo n PRO 540 Ca 0.04 0.23 0.27 0.00 -2.02 0.00 0.00 63.50 62.03 1iwo n PRO 540 Cb 0.31 -0.87 0.53 0.00 -0.02 0.00 0.00 33.50 33.44 1iwo n PRO 540 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1iwo h VAL 541 N 0.00 0.24 0.88 -1.45 2.07 -1.89 -0.50 116.25 115.59 1iwo h VAL 541 Ca 0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1iwo h VAL 541 Cb 0.00 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1iwo h VAL 541 CO 0.00 0.04 -0.49 0.50 0.02 0.00 0.00 177.57 177.65 1iwo h LYS 542 N 0.24 -1.22 -1.00 1.57 3.64 -0.92 -2.18 116.57 116.70 1iwo h LYS 542 Ca 0.76 0.08 0.03 0.00 -1.27 0.00 0.00 60.65 60.25 1iwo h LYS 542 Cb 1.91 0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 33.95 1iwo h LYS 542 CO -0.58 -0.81 0.66 0.93 -2.27 0.00 0.00 179.45 177.38 1iwo h GLU 543 N -1.26 1.26 0.00 1.90 4.39 -0.05 0.21 114.58 121.02 1iwo h GLU 543 Ca -0.12 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1iwo h GLU 543 Cb 0.99 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1iwo h GLU 543 CO 0.16 0.83 0.09 -0.22 -1.16 0.00 0.00 179.01 178.71 1iwo h LYS 544 N 1.30 0.00 0.00 2.33 3.11 -0.94 -0.73 116.57 121.64 1iwo h LYS 544 Ca 0.38 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.17 1iwo h LYS 544 Cb -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 1iwo h LYS 544 CO -0.11 0.00 -0.80 -0.89 -2.81 0.00 0.00 179.45 174.85 1iwo n ILE 545 N -2.81 1.45 -0.04 2.00 5.41 0.60 -4.21 119.36 121.75 1iwo n ILE 545 Ca -0.02 0.14 -0.11 0.00 1.00 0.00 0.00 62.75 63.75 1iwo n ILE 545 Cb 0.14 -2.31 -0.08 0.00 -0.71 0.00 0.00 39.64 36.68 1iwo n ILE 545 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1iwo h LEU 546 N -1.00 -1.39 -0.56 1.39 3.38 -0.74 -2.07 115.31 114.32 1iwo h LEU 546 Ca -0.08 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1iwo h LEU 546 Cb 0.76 0.55 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1iwo h LEU 546 CO -0.05 -0.35 -0.33 -1.54 0.09 0.00 0.00 178.44 176.26 1iwo n SER 547 N -4.79 -0.59 -0.32 -0.43 3.41 -0.31 0.23 113.62 110.81 1iwo n SER 547 Ca -0.04 1.19 0.17 0.00 -0.26 0.00 0.00 58.87 59.93 1iwo n SER 547 Cb 0.28 -0.23 0.41 0.00 -0.26 0.00 0.00 64.21 64.41 1iwo n SER 547 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1iwo h VAL 548 N 0.00 0.65 -0.68 -3.33 2.07 -1.62 1.33 116.25 114.68 1iwo h VAL 548 Ca 0.09 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1iwo h VAL 548 Cb 0.23 -0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 1iwo h VAL 548 CO -0.53 0.11 0.36 0.40 0.02 0.00 0.00 177.57 177.93 1iwo h ILE 549 N 0.60 0.93 0.05 4.57 5.03 0.36 0.11 117.51 129.15 1iwo h ILE 549 Ca 0.57 -0.22 -0.00 0.00 -0.12 0.00 0.00 64.86 65.08 1iwo h ILE 549 Cb 1.11 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 35.12 1iwo h ILE 549 CO -0.33 0.12 -0.02 0.50 -0.68 0.00 0.00 178.15 177.74 1iwo h LYS 550 N 0.65 -0.06 -0.18 2.37 3.64 0.28 0.36 116.57 123.64 1iwo h LYS 550 Ca 0.31 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1iwo h LYS 550 Cb 0.24 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1iwo h LYS 550 CO -0.21 0.06 -0.15 1.49 -2.27 0.00 0.00 179.45 178.37 1iwo h GLU 551 N -0.17 -0.05 -0.09 1.90 4.81 0.30 0.48 114.58 121.76 1iwo h GLU 551 Ca -0.01 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1iwo h GLU 551 Cb 0.15 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1iwo h GLU 551 CO 0.01 -0.03 0.15 -1.49 -0.73 0.00 0.00 179.01 176.92 1iwo h TRP 552 N -0.05 0.00 0.05 0.92 4.06 -0.69 1.94 115.95 122.17 1iwo h TRP 552 Ca 0.03 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.73 1iwo h TRP 552 Cb 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 1iwo h TRP 552 CO -0.80 0.00 -1.37 0.78 -3.56 0.00 0.00 178.44 173.50 1iwo h GLY 553 N 0.00 0.11 0.00 1.49 0.00 0.23 0.76 103.07 105.66 1iwo h GLY 553 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1iwo h GLY 553 CO -0.00 0.25 -1.70 2.41 0.00 0.00 0.00 176.54 177.50 1iwo n THR 554 N -4.16 0.00 -0.65 4.70 -1.04 0.14 -4.17 114.28 109.10 1iwo n THR 554 Ca -0.30 -0.36 -0.31 0.00 -2.04 0.00 0.00 64.05 61.04 1iwo n THR 554 Cb 0.78 0.27 0.18 0.00 -1.82 0.00 0.00 70.33 69.75 1iwo n THR 554 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iwo n GLY 555 N 1.35 -2.05 0.35 3.41 0.00 0.66 -4.78 105.19 104.13 1iwo n GLY 555 Ca -0.02 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.27 1iwo n GLY 555 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1iwo h ARG 556 N -2.08 0.75 -3.60 1.61 9.65 -1.94 -2.93 114.38 115.84 1iwo h ARG 556 Ca -0.52 -0.05 -0.73 0.00 -1.10 0.00 0.00 59.98 57.58 1iwo h ARG 556 Cb 1.33 -0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 29.64 1iwo h ARG 556 CO 0.40 0.50 2.65 -0.40 2.80 0.00 0.00 179.97 185.91 1iwo n ASP 557 N -4.76 5.06 -4.32 -3.80 5.75 -1.26 -4.96 116.55 108.26 1iwo n ASP 557 Ca 0.23 -2.96 -0.59 0.00 -0.01 0.00 0.00 54.79 51.46 1iwo n ASP 557 Cb 0.56 -1.55 -0.11 0.00 -1.03 0.00 0.00 41.12 38.99 1iwo n ASP 557 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1iwo n THR 558 N 3.95 0.04 -4.21 2.12 -1.04 -1.11 -4.81 114.28 109.23 1iwo n THR 558 Ca 0.49 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 62.30 1iwo n THR 558 Cb 0.36 -0.70 -0.11 0.00 -1.82 0.00 0.00 70.33 68.06 1iwo n THR 558 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1iwo s LEU 559 N 5.98 2.42 -0.25 -4.42 1.43 0.26 -4.68 118.68 119.42 1iwo s LEU 559 Ca 1.17 -0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 1iwo s LEU 559 Cb -1.39 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1iwo s LEU 559 CO 0.64 -0.23 0.40 -0.60 0.23 0.00 0.00 176.35 176.79 1iwo s ARG 560 N -2.87 4.06 -0.19 1.70 3.52 -1.04 -4.25 118.95 119.88 1iwo s ARG 560 Ca 0.08 0.12 -0.10 0.00 -0.13 0.00 0.00 55.73 55.69 1iwo s ARG 560 Cb -0.03 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 1iwo s ARG 560 CO 0.01 -0.23 0.15 0.00 -0.81 0.00 0.00 175.30 174.42 1iwo s LEU 562 N 0.27 1.87 0.24 0.00 2.96 -0.84 -4.18 118.68 119.00 1iwo s LEU 562 Ca 0.09 -0.58 -0.26 0.00 -0.22 0.00 0.00 54.13 53.16 1iwo s LEU 562 Cb -0.11 -1.25 -0.09 0.00 0.50 0.00 0.00 46.19 45.24 1iwo s LEU 562 CO -0.01 -0.06 0.87 0.00 -1.32 0.00 0.00 176.35 175.83 1iwo s ALA 563 N 1.43 3.34 -0.13 5.97 0.00 0.51 -2.89 121.76 129.99 1iwo s ALA 563 Ca 0.04 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1iwo s ALA 563 Cb -0.13 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1iwo s ALA 563 CO -0.11 0.24 -0.16 -0.51 0.00 0.00 0.00 175.76 175.22 1iwo s LEU 564 N -1.54 1.79 0.31 0.00 1.43 -0.48 -1.64 118.68 118.54 1iwo s LEU 564 Ca 0.43 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1iwo s LEU 564 Cb -0.22 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1iwo s LEU 564 CO 0.26 -0.00 0.16 0.00 0.23 0.00 0.00 176.35 177.00 1iwo s ALA 565 N 1.15 1.97 -0.11 4.21 0.00 -0.92 0.16 121.76 128.22 1iwo s ALA 565 Ca -0.02 -1.75 -0.09 0.00 0.00 0.00 0.00 51.96 50.10 1iwo s ALA 565 Cb -0.14 1.15 0.04 0.00 0.00 0.00 0.00 23.12 24.16 1iwo s ALA 565 CO -0.05 -0.51 0.29 0.95 0.00 0.00 0.00 175.76 176.44 1iwo s THR 566 N -3.60 -0.01 -0.36 0.00 -4.23 0.12 -1.97 115.64 105.59 1iwo s THR 566 Ca 0.35 0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.71 1iwo s THR 566 Cb 0.05 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.47 1iwo s THR 566 CO 0.17 0.02 0.65 -0.60 -0.54 0.00 0.00 174.62 174.32 1iwo s ARG 567 N 0.57 3.69 -0.07 3.99 3.52 0.23 -1.44 118.95 129.43 1iwo s ARG 567 Ca -0.03 0.08 -0.26 0.00 -0.13 0.00 0.00 55.73 55.38 1iwo s ARG 567 Cb -0.05 -3.81 -0.21 0.00 -1.56 0.00 0.00 34.95 29.32 1iwo s ARG 567 CO -0.03 -0.75 1.01 -0.44 -0.81 0.00 0.00 175.30 174.28 1iwo h ASP 568 N 8.46 -0.03 -2.91 -2.12 3.45 -1.86 -2.67 116.42 118.76 1iwo h ASP 568 Ca -0.26 -0.65 -0.68 0.00 0.43 0.00 0.00 57.03 55.87 1iwo h ASP 568 Cb 1.11 0.01 -0.37 0.00 -0.56 0.00 0.00 39.33 39.52 1iwo h ASP 568 CO 0.84 0.66 -0.16 0.41 -1.57 0.00 0.00 179.24 179.42 1iwo n THR 569 N -4.78 3.02 -1.24 0.35 -1.04 -1.26 -4.71 114.28 104.63 1iwo n THR 569 Ca -0.09 -5.25 -0.29 0.00 -2.04 0.00 0.00 64.05 56.39 1iwo n THR 569 Cb 0.33 -2.23 0.17 0.00 -1.82 0.00 0.00 70.33 66.79 1iwo n THR 569 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1iwo s PRO 570 N -1.93 0.43 0.61 -2.82 0.04 -1.26 -5.01 135.00 125.05 1iwo s PRO 570 Ca 0.31 0.41 -0.16 0.00 0.04 0.00 0.00 61.00 61.60 1iwo s PRO 570 Cb 0.01 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 1iwo s PRO 570 CO -0.06 -2.71 1.10 -1.25 0.04 0.00 0.00 177.00 174.11 1iwo s PRO 571 N -5.06 3.12 -0.10 0.56 0.04 -1.26 -4.90 135.00 127.39 1iwo s PRO 571 Ca 0.65 1.39 -0.39 0.00 0.04 0.00 0.00 61.00 62.69 1iwo s PRO 571 Cb -0.17 -1.99 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 1iwo s PRO 571 CO 0.57 -1.00 1.52 1.63 0.04 0.00 0.00 177.00 179.76 1iwo n LYS 572 N -1.99 1.06 -0.34 4.56 5.02 -1.26 -4.82 118.16 120.39 1iwo n LYS 572 Ca 0.10 0.39 0.04 0.00 -2.02 0.00 0.00 58.31 56.81 1iwo n LYS 572 Cb 0.52 -2.04 0.10 0.00 -0.02 0.00 0.00 35.03 33.59 1iwo n LYS 572 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1iwo n ARG 573 N 3.83 -0.13 -0.45 1.97 3.00 -1.26 0.53 116.66 124.16 1iwo n ARG 573 Ca 0.23 1.45 0.00 0.00 -0.00 0.00 0.00 57.85 59.53 1iwo n ARG 573 Cb 0.15 -2.17 0.00 0.00 0.00 0.00 0.00 32.46 30.44 1iwo n ARG 573 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1iwo n GLU 574 N -5.48 0.95 0.00 -0.14 -0.00 -1.26 -2.93 120.64 111.78 1iwo n GLU 574 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.29 1iwo n GLU 574 Cb 0.44 -1.03 0.00 0.00 -0.00 0.00 0.00 31.44 30.85 1iwo n GLU 574 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1iwo n GLU 575 N 1.47 0.06 -4.22 3.44 -0.58 0.19 -5.06 120.64 115.94 1iwo n GLU 575 Ca 0.00 -0.29 -0.34 0.00 -0.42 0.00 0.00 57.16 56.11 1iwo n GLU 575 Cb 0.47 -0.53 -0.11 0.00 -0.57 0.00 0.00 31.44 30.71 1iwo n GLU 575 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1iwo s MET 576 N -0.03 3.78 -0.85 3.49 -1.94 -1.15 -4.98 119.30 117.63 1iwo s MET 576 Ca 0.00 -0.43 -0.18 0.00 -1.71 0.00 0.00 55.69 53.37 1iwo s MET 576 Cb 0.00 -3.05 0.14 0.00 2.01 0.00 0.00 34.83 33.93 1iwo s MET 576 CO 0.00 0.29 1.00 0.08 -0.01 0.00 0.00 175.02 176.38 1iwo s VAL 577 N 0.29 4.84 -0.20 -6.03 1.01 -1.26 -4.89 120.40 114.16 1iwo s VAL 577 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1iwo s VAL 577 Cb -0.13 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1iwo s VAL 577 CO 0.02 -1.38 0.52 0.18 0.00 0.00 0.00 175.10 174.44 1iwo n LEU 578 N 6.22 1.50 0.00 3.92 4.77 -1.26 -2.80 117.00 129.36 1iwo n LEU 578 Ca 0.16 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1iwo n LEU 578 Cb 0.48 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1iwo n LEU 578 CO 0.50 0.26 0.09 0.47 -1.33 0.00 0.00 177.39 177.38 1iwo n ASP 579 N 0.61 0.36 -4.02 -1.43 8.00 -1.26 -4.94 116.55 113.87 1iwo n ASP 579 Ca 0.00 -0.86 -0.33 0.00 0.71 0.00 0.00 54.79 54.31 1iwo n ASP 579 Cb 0.26 0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.35 1iwo n ASP 579 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1iwo s ASP 580 N -0.08 5.46 0.52 -2.24 1.01 -1.12 -4.62 116.67 115.60 1iwo s ASP 580 Ca 0.00 -3.71 0.34 0.00 0.71 0.00 0.00 52.55 49.88 1iwo s ASP 580 Cb 0.00 -1.79 1.15 0.00 1.01 0.00 0.00 42.92 43.29 1iwo s ASP 580 CO 0.00 -0.15 1.26 -1.54 0.21 0.00 0.00 175.17 174.95 1iwo n SER 581 N 2.27 0.00 -0.13 0.27 3.41 -1.26 0.24 113.62 118.42 1iwo n SER 581 Ca 0.20 0.77 -0.08 0.00 -0.26 0.00 0.00 58.87 59.50 1iwo n SER 581 Cb 0.36 -0.33 0.07 0.00 -0.26 0.00 0.00 64.21 64.05 1iwo n SER 581 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1iwo h SER 582 N 0.00 0.88 0.97 4.04 4.64 -1.97 -2.91 113.55 119.21 1iwo h SER 582 Ca 0.63 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1iwo h SER 582 Cb 2.97 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 64.82 1iwo h SER 582 CO -0.01 1.03 0.00 0.54 -0.87 0.00 0.00 176.83 177.52 1iwo n ARG 583 N -4.13 0.22 -0.07 4.77 1.74 0.64 -3.77 116.66 116.06 1iwo n ARG 583 Ca 0.01 0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 57.35 1iwo n ARG 583 Cb 0.41 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1iwo n ARG 583 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1iwo h PHE 584 N 0.00 0.34 -0.69 -1.55 0.05 -1.49 -1.94 116.94 111.66 1iwo h PHE 584 Ca 0.00 -0.01 0.07 0.00 3.82 0.00 0.00 57.97 61.86 1iwo h PHE 584 Cb 0.48 -0.11 -0.06 0.00 2.00 0.00 0.00 35.95 38.26 1iwo h PHE 584 CO 0.00 0.28 0.37 1.98 -0.18 0.00 0.00 178.31 180.75 1iwo h MET 585 N 0.31 0.63 -0.64 1.51 4.05 -1.75 0.21 114.93 119.25 1iwo h MET 585 Ca 0.09 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 1iwo h MET 585 Cb 0.04 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 1iwo h MET 585 CO -0.02 0.42 0.21 1.05 0.23 0.00 0.00 176.91 178.80 1iwo h GLU 586 N 0.65 0.96 -0.66 0.39 4.11 -1.73 -1.88 114.58 116.43 1iwo h GLU 586 Ca 0.32 -0.18 -0.06 0.00 0.07 0.00 0.00 59.36 59.51 1iwo h GLU 586 Cb 0.26 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1iwo h GLU 586 CO -0.22 0.82 0.16 1.88 0.07 0.00 0.00 179.01 181.72 1iwo h TYR 587 N 0.93 1.10 -0.68 2.06 0.05 -0.36 -3.05 116.97 117.03 1iwo h TYR 587 Ca 0.21 -0.13 -0.72 0.00 0.05 0.00 0.00 58.73 58.15 1iwo h TYR 587 Cb 0.25 -0.31 -0.07 0.00 1.01 0.00 0.00 36.73 37.61 1iwo h TYR 587 CO 0.02 0.91 2.96 0.39 -1.05 0.00 0.00 178.16 181.38 1iwo n GLU 588 N -4.29 4.07 -3.86 4.88 1.02 0.59 -4.87 120.64 118.17 1iwo n GLU 588 Ca 0.04 -2.95 -0.21 0.00 -0.02 0.00 0.00 57.16 54.02 1iwo n GLU 588 Cb 0.25 -2.76 -0.05 0.00 -0.02 0.00 0.00 31.44 28.85 1iwo n GLU 588 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1iwo n THR 589 N 2.77 0.00 -4.24 2.62 5.66 -1.15 -4.82 114.28 115.11 1iwo n THR 589 Ca 0.66 -1.77 -0.35 0.00 -3.05 0.00 0.00 64.05 59.54 1iwo n THR 589 Cb 0.26 0.53 -0.07 0.00 -1.55 0.00 0.00 70.33 69.50 1iwo n THR 589 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1iwo n ASP 590 N -1.50 -0.30 -4.55 1.09 2.03 -1.15 -4.89 116.55 107.28 1iwo n ASP 590 Ca -0.09 -1.27 -0.27 0.00 0.52 0.00 0.00 54.79 53.68 1iwo n ASP 590 Cb 0.46 -1.56 0.13 0.00 -0.72 0.00 0.00 41.12 39.42 1iwo n ASP 590 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1iwo s LEU 591 N -7.37 2.81 -0.22 -2.67 1.43 0.15 -4.68 118.68 108.13 1iwo s LEU 591 Ca 0.12 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1iwo s LEU 591 Cb -0.07 -2.49 0.07 0.00 0.03 0.00 0.00 46.19 43.72 1iwo s LEU 591 CO 0.98 -2.12 0.01 -0.89 0.23 0.00 0.00 176.35 174.56 1iwo s THR 592 N -3.48 0.91 0.27 5.49 2.01 -0.52 -0.65 115.64 119.67 1iwo s THR 592 Ca 0.67 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.47 1iwo s THR 592 Cb -0.07 -1.38 -0.13 0.00 0.01 0.00 0.00 72.50 70.94 1iwo s THR 592 CO 0.48 -0.24 1.41 0.33 -0.69 0.00 0.00 174.62 175.91 1iwo n PHE 593 N 4.89 2.27 0.00 4.92 -0.00 -0.30 0.13 117.46 129.38 1iwo n PHE 593 Ca -0.09 0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1iwo n PHE 593 Cb 0.45 -2.47 0.00 0.00 -0.00 0.00 0.00 39.48 37.47 1iwo n PHE 593 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1iwo n VAL 594 N 1.62 0.00 -1.71 -2.13 0.31 0.43 -2.52 118.33 114.33 1iwo n VAL 594 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1iwo n VAL 594 Cb 0.33 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1iwo n VAL 594 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iwo n GLY 595 N 2.55 -1.58 3.08 2.92 0.00 -0.68 -4.60 105.19 106.88 1iwo n GLY 595 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1iwo n GLY 595 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwo s VAL 596 N -2.50 0.14 -0.03 1.61 1.01 -0.99 -1.38 120.40 118.26 1iwo s VAL 596 Ca 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1iwo s VAL 596 Cb 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1iwo s VAL 596 CO 0.00 -0.64 0.07 0.68 0.00 0.00 0.00 175.10 175.22 1iwo s VAL 597 N -2.54 -0.00 -0.10 2.92 -7.23 -1.14 -2.30 120.40 110.00 1iwo s VAL 597 Ca -0.06 0.01 -0.02 0.00 -1.81 0.00 0.00 61.98 60.11 1iwo s VAL 597 Cb -0.02 -0.11 -0.03 0.00 0.56 0.00 0.00 36.38 36.78 1iwo s VAL 597 CO -0.04 0.01 -0.03 -0.83 -0.31 0.00 0.00 175.10 173.89 1iwo s GLY 598 N 0.11 1.77 0.37 2.32 0.00 -0.24 -1.98 107.32 109.67 1iwo s GLY 598 Ca -0.01 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1iwo s GLY 598 CO -0.00 -0.45 0.11 1.03 0.00 0.00 0.00 173.10 173.79 1iwo n MET 599 N 2.56 1.04 -3.70 2.90 2.81 -0.29 -1.40 117.12 121.05 1iwo n MET 599 Ca -0.18 -2.55 -0.12 0.00 -1.81 0.00 0.00 57.70 53.04 1iwo n MET 599 Cb 0.53 0.53 -0.10 0.00 -0.71 0.00 0.00 33.22 33.47 1iwo n MET 599 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1iwo s LEU 600 N 0.00 -0.02 -0.57 4.03 2.96 -0.89 -2.48 118.68 121.72 1iwo s LEU 600 Ca 0.09 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 54.98 1iwo s LEU 600 Cb -0.01 1.60 0.15 0.00 0.50 0.00 0.00 46.19 48.43 1iwo s LEU 600 CO 0.06 -0.18 0.35 -0.62 -1.32 0.00 0.00 176.35 174.64 1iwo s ASP 601 N 0.77 4.95 -0.11 3.68 -1.08 -1.26 -3.04 116.67 120.57 1iwo s ASP 601 Ca -0.04 -2.81 -0.36 0.00 -0.52 0.00 0.00 52.55 48.81 1iwo s ASP 601 Cb -0.05 -1.78 -0.14 0.00 -1.46 0.00 0.00 42.92 39.49 1iwo s ASP 601 CO -0.06 -0.34 1.77 -0.81 0.52 0.00 0.00 175.17 176.25 1iwo n PRO 602 N 3.49 1.78 -1.97 4.34 -0.04 -1.26 -4.75 135.00 136.58 1iwo n PRO 602 Ca 0.06 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1iwo n PRO 602 Cb 0.37 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 1iwo n PRO 602 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1iwo s PRO 603 N 3.34 4.24 0.25 0.54 0.02 -1.26 -0.88 135.00 141.24 1iwo s PRO 603 Ca 0.93 2.32 -0.29 0.00 0.02 0.00 0.00 61.00 63.98 1iwo s PRO 603 Cb -0.83 -3.14 -0.15 0.00 0.02 0.00 0.00 34.50 30.40 1iwo s PRO 603 CO 0.54 -0.53 0.96 -2.13 -0.33 0.00 0.00 177.00 175.51 1iwo n ARG 604 N 3.34 1.07 -0.02 5.54 3.00 0.01 -4.81 116.66 124.79 1iwo n ARG 604 Ca 0.11 0.38 -0.10 0.00 -0.00 0.00 0.00 57.85 58.23 1iwo n ARG 604 Cb 0.39 -1.71 -0.04 0.00 0.00 0.00 0.00 32.46 31.10 1iwo n ARG 604 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1iwo h LYS 605 N 2.11 -0.37 -0.62 -0.14 6.56 -1.90 -2.61 116.57 119.60 1iwo h LYS 605 Ca -0.38 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.21 1iwo h LYS 605 Cb 1.36 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 33.07 1iwo h LYS 605 CO 0.62 -0.25 0.29 0.93 -2.06 0.00 0.00 179.45 178.98 1iwo h GLU 606 N -0.39 0.88 -0.53 3.15 3.07 -1.97 -2.98 114.58 115.81 1iwo h GLU 606 Ca 0.11 -0.12 0.12 0.00 -0.50 0.00 0.00 59.36 58.97 1iwo h GLU 606 Cb 0.56 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1iwo h GLU 606 CO -0.40 0.69 0.37 -0.39 -1.40 0.00 0.00 179.01 177.87 1iwo h VAL 607 N 0.87 0.81 -0.94 3.13 -1.51 -1.78 -2.71 116.25 114.13 1iwo h VAL 607 Ca 0.22 -0.06 0.08 0.00 -1.23 0.00 0.00 66.70 65.71 1iwo h VAL 607 Cb 0.10 0.63 -0.11 0.00 -2.13 0.00 0.00 31.29 29.78 1iwo h VAL 607 CO -0.03 0.03 -0.55 0.23 -1.23 0.00 0.00 177.57 176.02 1iwo n MET 608 N -4.43 -0.41 0.03 5.19 2.81 -1.13 -1.38 117.12 117.80 1iwo n MET 608 Ca 0.09 1.42 -0.02 0.00 -1.81 0.00 0.00 57.70 57.38 1iwo n MET 608 Cb 0.48 -2.08 -0.09 0.00 -0.71 0.00 0.00 33.22 30.82 1iwo n MET 608 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1iwo h GLY 609 N 0.00 0.00 0.70 3.03 0.00 -1.76 -3.33 103.07 101.72 1iwo h GLY 609 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.62 1iwo h GLY 609 CO -0.88 0.00 0.50 1.76 0.00 0.00 0.00 176.54 177.92 1iwo h SER 610 N 0.00 0.42 -0.10 0.19 0.02 -1.04 0.52 113.55 113.56 1iwo h SER 610 Ca -0.16 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1iwo h SER 610 Cb 1.68 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 64.15 1iwo h SER 610 CO 0.06 0.22 -0.02 0.40 -1.14 0.00 0.00 176.83 176.36 1iwo h ILE 611 N 0.45 1.28 -0.27 3.27 1.08 -1.33 -2.94 117.51 119.06 1iwo h ILE 611 Ca 0.37 -0.92 0.06 0.00 -0.39 0.00 0.00 64.86 63.99 1iwo h ILE 611 Cb 0.80 1.69 -0.08 0.00 -3.07 0.00 0.00 36.82 36.16 1iwo h ILE 611 CO -0.12 0.26 -0.31 -0.61 -0.69 0.00 0.00 178.15 176.67 1iwo h GLN 612 N -0.12 -0.30 -0.85 2.37 -0.00 -0.26 -1.49 115.11 114.45 1iwo h GLN 612 Ca 0.03 0.02 0.19 0.00 -0.00 0.00 0.00 58.65 58.88 1iwo h GLN 612 Cb 0.42 0.07 -0.16 0.00 0.00 0.00 0.00 27.48 27.81 1iwo h GLN 612 CO 0.01 -0.20 -0.12 -0.07 0.00 0.00 0.00 178.83 178.45 1iwo h LEU 613 N -0.31 -0.63 -1.94 -2.39 3.38 -0.55 0.62 115.31 113.49 1iwo h LEU 613 Ca 0.13 0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 1iwo h LEU 613 Cb 0.53 0.48 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1iwo h LEU 613 CO -0.44 -0.27 0.03 0.00 0.09 0.00 0.00 178.44 177.85 1iwo h ARG 615 N 0.07 0.64 0.01 0.00 2.47 0.52 0.78 114.38 118.88 1iwo h ARG 615 Ca 0.02 -0.42 -0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1iwo h ARG 615 Cb 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1iwo h ARG 615 CO -0.00 1.04 -0.01 -0.44 0.56 0.00 0.00 179.97 181.12 1iwo h ASP 616 N 0.33 -0.01 0.00 7.04 3.32 0.43 -1.68 116.42 125.84 1iwo h ASP 616 Ca 0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1iwo h ASP 616 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1iwo h ASP 616 CO 0.09 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.62 1iwo n ALA 617 N -2.11 2.17 -1.44 3.45 0.00 0.35 -4.06 120.51 118.88 1iwo n ALA 617 Ca -0.07 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1iwo n ALA 617 Cb 0.05 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 1iwo n ALA 617 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwo n GLY 618 N 0.16 1.49 3.60 0.00 0.00 0.17 -3.78 105.19 106.83 1iwo n GLY 618 Ca 0.10 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1iwo n GLY 618 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iwo s ILE 619 N -2.40 5.00 0.42 -0.61 1.01 0.25 -4.70 121.20 120.16 1iwo s ILE 619 Ca 0.00 0.78 -0.20 0.00 0.00 0.00 0.00 60.65 61.24 1iwo s ILE 619 Cb 0.00 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.43 1iwo s ILE 619 CO 0.00 -0.07 0.92 -0.60 0.00 0.00 0.00 174.94 175.19 1iwo s ARG 620 N 2.47 4.18 -0.10 2.79 3.52 -0.67 -4.06 118.95 127.08 1iwo s ARG 620 Ca 0.23 1.04 -0.00 0.00 -0.13 0.00 0.00 55.73 56.87 1iwo s ARG 620 Cb -0.15 -2.21 0.02 0.00 -1.56 0.00 0.00 34.95 31.05 1iwo s ARG 620 CO 0.11 -0.02 -0.07 0.54 -0.81 0.00 0.00 175.30 175.05 1iwo s VAL 621 N -2.18 0.93 -0.17 7.11 0.11 -1.26 0.39 120.40 125.33 1iwo s VAL 621 Ca 0.61 -0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1iwo s VAL 621 Cb -0.09 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1iwo s VAL 621 CO 0.15 0.34 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.59 1iwo s ILE 622 N 1.56 3.74 -0.18 7.04 1.01 0.26 -4.81 121.20 129.83 1iwo s ILE 622 Ca 0.02 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 1iwo s ILE 622 Cb -0.13 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1iwo s ILE 622 CO -0.06 0.48 0.31 -0.32 0.00 0.00 0.00 174.94 175.35 1iwo s MET 623 N 0.58 4.21 -0.25 2.79 -2.45 0.65 -1.78 119.30 123.06 1iwo s MET 623 Ca -0.03 0.09 -0.03 0.00 -1.25 0.00 0.00 55.69 54.47 1iwo s MET 623 Cb -0.14 -3.47 0.01 0.00 1.25 0.00 0.00 34.83 32.48 1iwo s MET 623 CO 0.03 0.13 -0.02 0.42 1.05 0.00 0.00 175.02 176.63 1iwo s ILE 624 N 0.80 3.26 0.05 10.11 1.01 -0.43 -1.22 121.20 134.78 1iwo s ILE 624 Ca 0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1iwo s ILE 624 Cb -0.14 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1iwo s ILE 624 CO 0.05 0.21 0.06 0.28 0.00 0.00 0.00 174.94 175.54 1iwo s THR 625 N 1.40 0.16 -2.13 2.92 -1.32 -0.92 -1.97 115.64 113.78 1iwo s THR 625 Ca 0.02 -1.31 0.22 0.00 -1.21 0.00 0.00 61.69 59.41 1iwo s THR 625 Cb -0.16 -1.09 0.57 0.00 -1.51 0.00 0.00 72.50 70.30 1iwo s THR 625 CO -0.02 -0.72 1.75 0.61 -2.21 0.00 0.00 174.62 174.02 1iwo n GLY 626 N 0.52 -0.53 3.77 6.08 0.00 -1.26 -1.70 105.19 112.07 1iwo n GLY 626 Ca -0.17 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 1iwo n GLY 626 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iwo s ASP 627 N -1.69 5.56 0.59 1.61 1.01 -1.26 -4.43 116.67 118.07 1iwo s ASP 627 Ca 0.33 2.22 -0.20 0.00 0.71 0.00 0.00 52.55 55.61 1iwo s ASP 627 Cb 0.16 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1iwo s ASP 627 CO 0.26 -1.33 1.29 0.54 0.21 0.00 0.00 175.17 176.14 1iwo s ASN 628 N -1.78 5.01 0.34 0.27 6.03 -1.26 -3.75 114.94 119.81 1iwo s ASN 628 Ca 0.74 2.61 0.14 0.00 -1.03 0.00 0.00 52.86 55.32 1iwo s ASN 628 Cb -0.25 -2.62 1.06 0.00 -3.03 0.00 0.00 41.25 36.41 1iwo s ASN 628 CO 0.29 -1.73 1.68 0.50 -2.03 0.00 0.00 177.10 175.81 1iwo h LYS 629 N 0.98 0.36 0.00 3.55 3.64 -1.93 0.61 116.57 123.78 1iwo h LYS 629 Ca -0.51 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1iwo h LYS 629 Cb 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1iwo h LYS 629 CO 0.55 0.24 0.00 0.41 -2.27 0.00 0.00 179.45 178.38 1iwo n GLY 630 N -1.31 -2.72 0.26 5.01 0.00 -1.26 -1.32 105.19 103.85 1iwo n GLY 630 Ca 0.31 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.51 1iwo n GLY 630 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1iwo h THR 631 N 0.00 1.02 0.14 2.61 2.02 -1.66 -2.91 112.91 114.15 1iwo h THR 631 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1iwo h THR 631 Cb 0.00 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1iwo h THR 631 CO 0.00 0.03 -0.36 0.00 0.37 0.00 0.00 175.52 175.56 1iwo h ALA 632 N 1.96 -0.90 -0.58 6.16 0.00 0.43 -0.45 119.26 125.89 1iwo h ALA 632 Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1iwo h ALA 632 Cb 0.05 0.72 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 1iwo h ALA 632 CO 0.00 -0.98 -0.35 0.82 0.00 0.00 0.00 179.25 178.75 1iwo h ILE 633 N -0.56 0.16 -0.67 0.00 2.04 -1.00 -0.43 117.51 117.04 1iwo h ILE 633 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1iwo h ILE 633 Cb 0.54 0.16 -0.13 0.00 -0.74 0.00 0.00 36.82 36.66 1iwo h ILE 633 CO -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 177.84 1iwo h ALA 634 N 0.93 0.48 -0.89 1.87 0.00 -1.38 0.15 119.26 120.42 1iwo h ALA 634 Ca 0.22 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.44 1iwo h ALA 634 Cb 0.55 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1iwo h ALA 634 CO -0.67 -0.42 0.58 0.82 0.00 0.00 0.00 179.25 179.56 1iwo h ILE 635 N 0.01 1.11 -0.04 0.00 2.04 0.55 0.56 117.51 121.75 1iwo h ILE 635 Ca 0.33 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1iwo h ILE 635 Cb 0.51 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1iwo h ILE 635 CO -0.68 0.19 0.01 0.00 0.00 0.00 0.00 178.15 177.67 1iwo h ARG 637 N -0.15 0.36 0.00 0.00 3.08 -0.10 -0.32 114.38 117.24 1iwo h ARG 637 Ca 0.01 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1iwo h ARG 637 Cb 0.23 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1iwo h ARG 637 CO -0.00 0.24 -0.52 -0.09 -1.07 0.00 0.00 179.97 178.52 1iwo h ARG 638 N 0.37 0.00 -0.42 0.04 2.43 -0.23 -3.09 114.38 113.48 1iwo h ARG 638 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1iwo h ARG 638 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1iwo h ARG 638 CO -0.08 0.52 0.00 0.44 -1.51 0.00 0.00 179.97 179.34 1iwo n ILE 639 N -3.50 0.54 -0.30 1.20 -5.35 -0.27 -4.95 119.36 106.73 1iwo n ILE 639 Ca 0.00 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 1iwo n ILE 639 Cb 0.63 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1iwo n ILE 639 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iwo n GLY 640 N 1.53 1.22 0.30 3.28 0.00 -0.40 -4.83 105.19 106.30 1iwo n GLY 640 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 1iwo n GLY 640 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iwo h ILE 641 N 0.00 0.44 -3.65 -0.61 1.08 -1.56 -3.42 117.51 109.79 1iwo h ILE 641 Ca 0.00 -0.14 -0.45 0.00 -0.39 0.00 0.00 64.86 63.88 1iwo h ILE 641 Cb 0.00 1.09 -0.19 0.00 -3.07 0.00 0.00 36.82 34.65 1iwo h ILE 641 CO 0.00 0.03 -0.77 -0.36 -0.69 0.00 0.00 178.15 176.35 1iwo s PHE 642 N -4.43 1.48 -0.06 1.37 2.99 -1.20 -4.95 117.98 113.18 1iwo s PHE 642 Ca -0.04 -0.51 -0.30 0.00 0.00 0.00 0.00 56.93 56.08 1iwo s PHE 642 Cb 0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 43.02 42.35 1iwo s PHE 642 CO 0.53 0.16 1.16 0.20 -0.00 0.00 0.00 175.22 177.28 1iwo s GLY 643 N -2.29 2.18 0.52 4.36 0.00 -1.26 -4.49 107.32 106.33 1iwo s GLY 643 Ca 0.08 0.58 0.35 0.00 0.00 0.00 0.00 44.72 45.73 1iwo s GLY 643 CO 0.04 2.14 1.28 -2.21 0.00 0.00 0.00 173.10 174.34 1iwo n GLU 644 N 5.08 0.01 -0.68 2.90 2.13 -1.26 -1.06 120.64 127.75 1iwo n GLU 644 Ca 0.10 0.94 0.02 0.00 0.66 0.00 0.00 57.16 58.88 1iwo n GLU 644 Cb 0.47 -2.24 0.03 0.00 0.27 0.00 0.00 31.44 29.96 1iwo n GLU 644 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1iwo n ASN 645 N -3.39 0.55 -4.93 4.31 3.02 -1.26 -5.09 115.26 108.47 1iwo n ASN 645 Ca 0.31 -2.19 -0.25 0.00 -0.03 0.00 0.00 54.58 52.41 1iwo n ASN 645 Cb 1.60 -0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 40.50 1iwo n ASN 645 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1iwo s GLU 646 N -0.44 3.52 -0.08 3.52 -1.05 -0.22 -5.05 118.70 118.90 1iwo s GLU 646 Ca 0.13 -0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.47 1iwo s GLU 646 Cb 0.13 -2.60 -0.02 0.00 -0.44 0.00 0.00 34.13 31.20 1iwo s GLU 646 CO -0.04 0.09 1.01 -1.21 0.95 0.00 0.00 175.26 176.06 1iwo s GLU 647 N -4.29 4.45 -0.10 -4.83 0.41 -1.26 -4.86 118.70 108.22 1iwo s GLU 647 Ca 0.42 1.41 0.15 0.00 -0.41 0.00 0.00 54.97 56.54 1iwo s GLU 647 Cb -0.10 -3.52 0.23 0.00 -1.78 0.00 0.00 34.13 28.96 1iwo s GLU 647 CO 0.37 -0.26 1.12 1.33 -0.49 0.00 0.00 175.26 177.33 1iwo n VAL 648 N 4.40 1.54 -0.19 2.63 0.24 -1.26 -4.82 118.33 120.87 1iwo n VAL 648 Ca 0.08 -1.85 -0.00 0.00 -2.04 0.00 0.00 64.34 60.53 1iwo n VAL 648 Cb 0.49 -0.09 0.09 0.00 -1.47 0.00 0.00 33.84 32.86 1iwo n VAL 648 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1iwo h ALA 649 N 0.00 0.60 -0.91 2.33 0.00 -1.91 -1.49 119.26 117.88 1iwo h ALA 649 Ca 0.00 0.15 -0.52 0.00 0.00 0.00 0.00 54.91 54.55 1iwo h ALA 649 Cb 1.06 0.25 -0.28 0.00 0.00 0.00 0.00 17.79 18.81 1iwo h ALA 649 CO 0.00 -0.36 0.58 -0.40 0.00 0.00 0.00 179.25 179.07 1iwo n ASP 650 N -5.21 4.52 0.00 0.00 3.85 -1.26 -4.21 116.55 114.24 1iwo n ASP 650 Ca 0.08 -3.68 0.00 0.00 -0.71 0.00 0.00 54.79 50.48 1iwo n ASP 650 Cb 0.32 -0.83 0.00 0.00 -1.35 0.00 0.00 41.12 39.25 1iwo n ASP 650 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1iwo n ARG 651 N -1.08 0.17 -3.66 0.11 1.74 -0.58 -4.42 116.66 108.95 1iwo n ARG 651 Ca 0.57 -0.49 -0.08 0.00 -0.77 0.00 0.00 57.85 57.08 1iwo n ARG 651 Cb 1.35 -0.54 -0.09 0.00 -1.02 0.00 0.00 32.46 32.16 1iwo n ARG 651 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwo s ALA 652 N -0.06 -1.20 0.22 7.54 0.00 -1.12 -0.71 121.76 126.42 1iwo s ALA 652 Ca 0.00 1.56 0.08 0.00 0.00 0.00 0.00 51.96 53.59 1iwo s ALA 652 Cb 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 1iwo s ALA 652 CO 0.00 -0.73 -0.13 0.71 0.00 0.00 0.00 175.76 175.61 1iwo s TYR 653 N 2.54 1.76 0.10 0.00 1.51 -0.55 -4.92 117.35 117.78 1iwo s TYR 653 Ca -0.03 -0.60 0.03 0.00 -1.01 0.00 0.00 57.07 55.46 1iwo s TYR 653 Cb -0.12 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1iwo s TYR 653 CO -0.13 0.34 0.15 0.95 -1.11 0.00 0.00 175.55 175.76 1iwo s THR 654 N -2.98 4.86 0.31 -0.71 -4.23 -1.26 -0.83 115.64 110.80 1iwo s THR 654 Ca 0.24 -0.72 0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1iwo s THR 654 Cb 0.00 -3.40 0.32 0.00 1.34 0.00 0.00 72.50 70.76 1iwo s THR 654 CO 0.08 0.05 1.65 1.23 -0.54 0.00 0.00 174.62 177.09 1iwo h GLY 655 N 2.89 1.66 0.24 3.99 0.00 -0.22 -0.22 103.07 111.42 1iwo h GLY 655 Ca -0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1iwo h GLY 655 CO 0.68 -0.42 -0.11 3.21 0.00 0.00 0.00 176.54 179.90 1iwo h ARG 656 N 0.26 -0.31 -1.16 4.80 2.47 -1.84 -2.98 114.38 115.63 1iwo h ARG 656 Ca 0.63 0.02 0.36 0.00 -1.26 0.00 0.00 59.98 59.73 1iwo h ARG 656 Cb 1.36 0.07 -0.12 0.00 -1.65 0.00 0.00 29.97 29.62 1iwo h ARG 656 CO -0.64 -0.20 0.73 0.93 0.56 0.00 0.00 179.97 181.35 1iwo h GLU 657 N -0.34 0.22 0.13 0.04 5.08 -1.81 -0.11 114.58 117.79 1iwo h GLU 657 Ca -0.03 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1iwo h GLU 657 Cb 0.24 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1iwo h GLU 657 CO 0.05 0.14 -0.16 0.35 -1.00 0.00 0.00 179.01 178.39 1iwo h PHE 658 N 0.22 -0.43 -0.20 4.33 3.04 -0.94 -2.52 116.94 120.45 1iwo h PHE 658 Ca 0.74 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.66 1iwo h PHE 658 Cb 2.06 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 40.73 1iwo h PHE 658 CO -0.01 -0.25 -0.02 -0.44 -2.02 0.00 0.00 178.31 175.58 1iwo h ASP 659 N -0.34 0.27 -0.59 0.41 3.45 -0.88 -2.36 116.42 116.38 1iwo h ASP 659 Ca 0.01 -0.04 0.09 0.00 0.43 0.00 0.00 57.03 57.53 1iwo h ASP 659 Cb 0.34 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.01 1iwo h ASP 659 CO -0.07 0.33 0.39 0.44 -1.57 0.00 0.00 179.24 178.77 1iwo h ASP 660 N 0.28 0.38 -3.96 6.45 3.32 -1.05 -3.42 116.42 118.42 1iwo h ASP 660 Ca 0.07 0.01 -0.47 0.00 0.02 0.00 0.00 57.03 56.66 1iwo h ASP 660 Cb 0.23 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1iwo h ASP 660 CO 0.01 0.23 0.37 -0.76 -1.72 0.00 0.00 179.24 177.36 1iwo s LEU 661 N -9.35 4.16 0.45 1.55 1.43 -0.89 -5.05 118.68 110.98 1iwo s LEU 661 Ca -0.08 1.87 -0.21 0.00 -1.03 0.00 0.00 54.13 54.68 1iwo s LEU 661 Cb 0.19 -4.22 -0.10 0.00 0.03 0.00 0.00 46.19 42.10 1iwo s LEU 661 CO 0.75 -0.30 1.00 -2.16 0.23 0.00 0.00 176.35 175.87 1iwo s PRO 662 N -2.51 4.04 0.53 1.29 0.04 -1.26 -4.66 135.00 132.47 1iwo s PRO 662 Ca 0.56 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.96 1iwo s PRO 662 Cb -0.17 -2.20 0.44 0.00 0.04 0.00 0.00 34.50 32.61 1iwo s PRO 662 CO 0.22 -0.21 1.17 -0.07 0.04 0.00 0.00 177.00 178.16 1iwo h LEU 663 N 1.86 0.00 0.23 -3.56 4.07 -1.96 0.57 115.31 116.52 1iwo h LEU 663 Ca -0.49 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.46 1iwo h LEU 663 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1iwo h LEU 663 CO 0.60 0.00 -0.11 0.00 -1.08 0.00 0.00 178.44 177.85 1iwo h ALA 664 N 0.45 -0.37 0.00 1.53 0.00 -2.01 -2.96 119.26 115.90 1iwo h ALA 664 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1iwo h ALA 664 Cb 1.40 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1iwo h ALA 664 CO 0.00 -0.35 -0.14 0.93 0.00 0.00 0.00 179.25 179.69 1iwo h GLU 665 N -0.87 0.00 0.87 0.00 5.08 -1.10 -3.10 114.58 115.46 1iwo h GLU 665 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1iwo h GLU 665 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1iwo h GLU 665 CO 0.05 0.14 -0.42 0.37 -1.00 0.00 0.00 179.01 178.15 1iwo h GLN 666 N 0.00 -1.13 -0.22 2.33 4.15 -0.09 -2.60 115.11 117.56 1iwo h GLN 666 Ca -0.00 0.08 0.06 0.00 0.77 0.00 0.00 58.65 59.56 1iwo h GLN 666 Cb 0.45 0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1iwo h GLN 666 CO 0.02 -0.75 0.16 -0.09 -1.93 0.00 0.00 178.83 176.23 1iwo h ARG 667 N -1.27 0.01 0.15 1.69 2.43 -1.48 -2.99 114.38 112.93 1iwo h ARG 667 Ca -0.12 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1iwo h ARG 667 Cb 0.90 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1iwo h ARG 667 CO 0.20 0.01 -0.07 1.49 -1.51 0.00 0.00 179.97 180.08 1iwo h GLU 668 N 0.01 -0.20 -1.04 0.20 4.57 -1.47 -3.15 114.58 113.50 1iwo h GLU 668 Ca 0.10 0.01 0.30 0.00 -1.18 0.00 0.00 59.36 58.60 1iwo h GLU 668 Cb 0.41 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 1iwo h GLU 668 CO -0.00 -0.13 1.16 0.00 -1.18 0.00 0.00 179.01 178.85 1iwo h ALA 669 N -1.88 2.96 0.00 2.92 0.00 -1.31 0.20 119.26 122.14 1iwo h ALA 669 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1iwo h ALA 669 Cb 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1iwo h ALA 669 CO 0.03 -1.69 -0.40 0.00 0.00 0.00 0.00 179.25 177.20 1iwo h ARG 671 N 0.00 0.00 0.00 0.00 0.11 -0.73 -3.38 114.38 110.39 1iwo h ARG 671 Ca -0.00 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.78 1iwo h ARG 671 Cb 0.87 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.90 1iwo h ARG 671 CO 0.05 0.00 -2.07 -2.13 0.10 0.00 0.00 179.97 175.93 1iwo n ARG 672 N -2.28 0.45 -1.51 0.08 3.00 -1.08 -5.04 116.66 110.29 1iwo n ARG 672 Ca 0.04 0.13 -0.36 0.00 -0.00 0.00 0.00 57.85 57.66 1iwo n ARG 672 Cb 0.45 -1.32 0.08 0.00 0.00 0.00 0.00 32.46 31.67 1iwo n ARG 672 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iwo n ALA 673 N -3.27 0.44 -0.99 5.13 0.00 0.84 -4.79 120.51 117.87 1iwo n ALA 673 Ca -0.34 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1iwo n ALA 673 Cb 0.83 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1iwo n ALA 673 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwo s PHE 676 N 2.53 2.98 -0.05 0.00 0.40 -0.36 -1.48 117.98 122.00 1iwo s PHE 676 Ca 0.08 -0.64 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1iwo s PHE 676 Cb -0.15 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 1iwo s PHE 676 CO -0.14 -0.33 -0.14 0.00 0.70 0.00 0.00 175.22 175.30 1iwo s ALA 677 N 1.05 2.65 -1.29 5.36 0.00 -0.01 -2.16 121.76 127.37 1iwo s ALA 677 Ca 0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 1iwo s ALA 677 Cb -0.15 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1iwo s ALA 677 CO 0.01 0.54 0.89 0.54 0.00 0.00 0.00 175.76 177.73 1iwo n ARG 678 N 2.38 -5.95 -1.89 0.00 5.12 -0.69 -0.31 116.66 115.33 1iwo n ARG 678 Ca -0.17 0.73 -0.41 0.00 -1.93 0.00 0.00 57.85 56.06 1iwo n ARG 678 Cb 0.52 -5.55 -0.02 0.00 -1.16 0.00 0.00 32.46 26.25 1iwo n ARG 678 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1iwo s VAL 679 N -3.48 2.36 1.20 1.55 0.11 -1.26 -2.27 120.40 118.61 1iwo s VAL 679 Ca 0.11 0.30 -0.19 0.00 -2.93 0.00 0.00 61.98 59.27 1iwo s VAL 679 Cb -0.05 -3.19 0.28 0.00 -1.53 0.00 0.00 36.38 31.89 1iwo s VAL 679 CO 0.77 0.05 1.11 -1.61 -3.33 0.00 0.00 175.10 172.08 1iwo s GLU 680 N -0.29 -1.17 0.00 1.54 0.41 -1.26 -4.88 118.70 113.05 1iwo s GLU 680 Ca 0.62 -0.04 -0.03 0.00 -0.41 0.00 0.00 54.97 55.12 1iwo s GLU 680 Cb -0.45 -1.60 -0.02 0.00 -1.78 0.00 0.00 34.13 30.28 1iwo s GLU 680 CO 0.44 -3.68 0.99 -1.00 -0.49 0.00 0.00 175.26 171.52 1iwo h PRO 681 N -2.56 -0.11 -4.67 0.39 0.13 -1.98 -3.34 132.00 119.87 1iwo h PRO 681 Ca -0.45 0.01 -0.73 0.00 -0.87 0.00 0.00 66.00 63.95 1iwo h PRO 681 Cb 1.30 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 1iwo h PRO 681 CO 0.35 -0.07 1.78 0.45 -0.23 0.00 0.00 178.00 180.28 1iwo n SER 682 N -2.32 5.05 0.00 1.44 2.88 -1.26 -4.10 113.62 115.31 1iwo n SER 682 Ca -0.01 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 1iwo n SER 682 Cb 0.04 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 61.91 1iwo n SER 682 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1iwo n HIS 683 N 5.85 0.00 0.15 0.66 8.25 -1.25 -4.38 115.22 124.50 1iwo n HIS 683 Ca 0.41 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.90 1iwo n HIS 683 Cb 0.42 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.97 1iwo n HIS 683 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1iwo h LYS 684 N 0.00 0.17 0.01 -0.41 1.57 -1.81 0.55 116.57 116.65 1iwo h LYS 684 Ca 0.00 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.52 1iwo h LYS 684 Cb 0.13 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.44 1iwo h LYS 684 CO 0.00 0.30 -0.88 1.03 -0.57 0.00 0.00 179.45 179.33 1iwo h SER 685 N 0.16 0.75 -0.52 0.86 0.87 -1.85 -0.85 113.55 112.98 1iwo h SER 685 Ca 0.03 -0.76 0.02 0.00 -1.23 0.00 0.00 61.79 59.85 1iwo h SER 685 Cb 0.32 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 1iwo h SER 685 CO 0.02 1.41 0.31 0.11 -0.53 0.00 0.00 176.83 178.16 1iwo h LYS 686 N 0.16 0.61 0.10 2.24 1.57 -1.50 0.39 116.57 120.13 1iwo h LYS 686 Ca -0.11 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1iwo h LYS 686 Cb 1.56 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1iwo h LYS 686 CO 0.17 0.40 -0.05 0.82 -0.57 0.00 0.00 179.45 180.23 1iwo h ILE 687 N 0.63 0.98 -0.00 1.86 2.04 0.06 -1.93 117.51 121.15 1iwo h ILE 687 Ca 0.20 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1iwo h ILE 687 Cb 0.00 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1iwo h ILE 687 CO -0.08 0.07 0.00 0.58 0.00 0.00 0.00 178.15 178.72 1iwo h VAL 688 N -0.25 0.83 0.06 1.67 2.07 -0.77 0.86 116.25 120.72 1iwo h VAL 688 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1iwo h VAL 688 Cb 0.21 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1iwo h VAL 688 CO 0.02 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 177.50 1iwo h GLU 689 N 0.00 -0.08 -0.03 1.57 4.57 0.50 -2.94 114.58 118.18 1iwo h GLU 689 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1iwo h GLU 689 Cb 0.01 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1iwo h GLU 689 CO -0.00 0.05 -0.16 1.88 -1.18 0.00 0.00 179.01 179.60 1iwo h TYR 690 N -0.19 0.22 0.00 0.92 0.05 -0.70 -2.80 116.97 114.47 1iwo h TYR 690 Ca -0.01 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1iwo h TYR 690 Cb 0.16 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1iwo h TYR 690 CO -0.04 0.81 0.11 1.28 -1.05 0.00 0.00 178.16 179.26 1iwo n LEU 691 N -4.60 0.03 -0.07 3.88 4.32 0.22 0.66 117.00 121.44 1iwo n LEU 691 Ca -0.09 0.42 -0.05 0.00 -0.02 0.00 0.00 56.01 56.27 1iwo n LEU 691 Cb 0.42 -0.42 -0.16 0.00 -1.62 0.00 0.00 43.42 41.64 1iwo n LEU 691 CO 0.38 -0.43 -1.02 0.00 -1.22 0.00 0.00 177.39 175.10 1iwo n GLN 692 N -1.45 0.68 0.00 3.23 6.02 -1.11 -2.78 117.38 121.97 1iwo n GLN 692 Ca -0.00 -0.04 0.05 0.00 -0.01 0.00 0.00 57.00 57.00 1iwo n GLN 692 Cb 0.11 -1.54 0.23 0.00 1.02 0.00 0.00 30.24 30.06 1iwo n GLN 692 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1iwo n SER 693 N -2.65 0.00 -0.82 1.08 3.41 0.21 -0.59 113.62 114.26 1iwo n SER 693 Ca -0.25 0.23 0.03 0.00 -0.26 0.00 0.00 58.87 58.61 1iwo n SER 693 Cb 1.01 -0.33 0.21 0.00 -0.26 0.00 0.00 64.21 64.84 1iwo n SER 693 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1iwo n TYR 694 N -1.33 0.71 -2.11 7.33 0.53 -1.18 -4.97 117.16 116.14 1iwo n TYR 694 Ca 0.04 -1.29 -0.08 0.00 -1.02 0.00 0.00 57.90 55.55 1iwo n TYR 694 Cb 0.08 -0.35 -0.01 0.00 -1.03 0.00 0.00 39.34 38.03 1iwo n TYR 694 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1iwo n ASP 695 N -1.02 -2.76 -4.67 7.72 9.92 0.24 -4.92 116.55 121.07 1iwo n ASP 695 Ca 0.25 0.27 -0.41 0.00 -0.53 0.00 0.00 54.79 54.37 1iwo n ASP 695 Cb 0.88 -2.49 -0.05 0.00 -0.64 0.00 0.00 41.12 38.83 1iwo n ASP 695 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1iwo s GLU 696 N -4.35 4.27 -0.51 -1.24 2.02 -1.12 -4.97 118.70 112.81 1iwo s GLU 696 Ca 0.00 0.81 -0.27 0.00 0.02 0.00 0.00 54.97 55.53 1iwo s GLU 696 Cb 0.00 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 1iwo s GLU 696 CO 0.00 -0.26 1.80 0.42 0.02 0.00 0.00 175.26 177.24 1iwo s ILE 697 N 1.94 3.44 0.16 -1.63 1.09 -1.26 -4.50 121.20 120.44 1iwo s ILE 697 Ca 0.34 0.35 -0.09 0.00 -1.10 0.00 0.00 60.65 60.15 1iwo s ILE 697 Cb -0.16 -3.87 -0.06 0.00 -1.06 0.00 0.00 42.46 37.30 1iwo s ILE 697 CO 0.12 -0.74 0.47 -0.89 -0.10 0.00 0.00 174.94 173.80 1iwo s THR 698 N 8.09 5.01 -0.09 2.92 2.01 -1.26 0.72 115.64 133.04 1iwo s THR 698 Ca 0.70 0.41 0.05 0.00 0.31 0.00 0.00 61.69 63.16 1iwo s THR 698 Cb -0.16 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1iwo s THR 698 CO 0.26 0.08 -0.24 0.00 -0.69 0.00 0.00 174.62 174.03 1iwo s ALA 699 N -1.63 2.18 0.18 7.40 0.00 0.52 -1.70 121.76 128.70 1iwo s ALA 699 Ca 0.41 -0.99 0.09 0.00 0.00 0.00 0.00 51.96 51.47 1iwo s ALA 699 Cb -0.13 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1iwo s ALA 699 CO 0.21 0.33 -0.19 1.41 0.00 0.00 0.00 175.76 177.52 1iwo s MET 700 N 0.17 1.33 0.39 0.00 0.00 -1.15 0.18 119.30 120.21 1iwo s MET 700 Ca -0.14 -1.45 0.04 0.00 0.00 0.00 0.00 55.69 54.15 1iwo s MET 700 Cb -0.17 -1.42 -0.03 0.00 0.00 0.00 0.00 34.83 33.22 1iwo s MET 700 CO 0.07 0.29 0.13 -0.08 0.00 0.00 0.00 175.02 175.43 1iwo s THR 701 N -2.05 0.59 0.00 10.11 -1.32 -0.75 0.74 115.64 122.96 1iwo s THR 701 Ca 0.17 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.65 1iwo s THR 701 Cb -0.06 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 1iwo s THR 701 CO 0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1iwo n GLY 702 N -0.84 2.91 3.33 6.08 0.00 -1.07 -4.86 105.19 110.73 1iwo n GLY 702 Ca -0.04 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 1iwo n GLY 702 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iwo s ASP 703 N 0.00 0.92 0.00 1.61 -4.77 -1.26 -4.48 116.67 108.69 1iwo s ASP 703 Ca 0.00 -1.53 0.00 0.00 -3.30 0.00 0.00 52.55 47.72 1iwo s ASP 703 Cb 0.00 0.53 0.00 0.00 -1.09 0.00 0.00 42.92 42.36 1iwo s ASP 703 CO 0.00 -1.05 0.00 0.61 0.70 0.00 0.00 175.17 175.43 1iwo n GLY 704 N -0.49 2.17 0.38 2.12 0.00 -1.26 -4.47 105.19 103.65 1iwo n GLY 704 Ca 0.04 -1.61 0.15 0.00 0.00 0.00 0.00 46.02 44.60 1iwo n GLY 704 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1iwo h VAL 705 N 0.00 0.79 0.00 1.61 -1.51 -1.36 0.48 116.25 116.26 1iwo h VAL 705 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1iwo h VAL 705 Cb 0.00 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.35 1iwo h VAL 705 CO 0.00 0.10 0.00 -0.46 -1.23 0.00 0.00 177.57 175.98 1iwo n ASN 706 N -4.53 2.11 0.00 4.19 0.23 -1.11 -2.17 115.26 113.98 1iwo n ASN 706 Ca 0.17 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 1iwo n ASN 706 Cb 0.54 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1iwo n ASN 706 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1iwo n ASP 707 N 0.34 0.00 0.10 0.53 2.03 0.17 -4.89 116.55 114.83 1iwo n ASP 707 Ca 0.00 -1.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.13 1iwo n ASP 707 Cb 0.38 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.64 1iwo n ASP 707 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iwo h ALA 708 N 0.00 0.09 -0.84 -1.67 0.00 -1.12 -3.17 119.26 112.55 1iwo h ALA 708 Ca 0.00 -0.94 0.10 0.00 0.00 0.00 0.00 54.91 54.08 1iwo h ALA 708 Cb 0.76 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1iwo h ALA 708 CO 0.00 0.97 0.48 -1.35 0.00 0.00 0.00 179.25 179.35 1iwo h PRO 709 N 0.09 0.76 -0.33 0.00 0.11 -1.89 -1.68 132.00 129.05 1iwo h PRO 709 Ca -0.18 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.72 1iwo h PRO 709 Cb 2.02 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.95 1iwo h PRO 709 CO 0.21 0.50 -0.41 0.00 -0.21 0.00 0.00 178.00 178.09 1iwo h ALA 710 N 1.48 0.50 0.00 -0.75 0.00 -1.91 -2.47 119.26 116.10 1iwo h ALA 710 Ca 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1iwo h ALA 710 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1iwo h ALA 710 CO -0.26 0.62 0.00 1.28 0.00 0.00 0.00 179.25 180.88 1iwo n LEU 711 N -4.10 0.00 -0.10 0.00 4.77 -0.81 -2.01 117.00 114.75 1iwo n LEU 711 Ca -0.03 0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1iwo n LEU 711 Cb 0.55 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 41.08 1iwo n LEU 711 CO 0.48 -0.28 -1.15 1.17 -1.33 0.00 0.00 177.39 176.28 1iwo n LYS 712 N -1.41 0.68 0.08 3.23 4.81 -0.70 -3.60 118.16 121.26 1iwo n LYS 712 Ca 0.03 0.04 -0.11 0.00 -0.87 0.00 0.00 58.31 57.40 1iwo n LYS 712 Cb 0.09 -1.54 -0.06 0.00 0.02 0.00 0.00 35.03 33.54 1iwo n LYS 712 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1iwo h LYS 713 N 0.00 0.21 -7.20 1.64 3.64 -0.99 -3.46 116.57 110.41 1iwo h LYS 713 Ca -0.54 -0.27 -0.53 0.00 -1.27 0.00 0.00 60.65 58.04 1iwo h LYS 713 Cb 2.18 0.09 0.17 0.00 -0.41 0.00 0.00 32.23 34.26 1iwo h LYS 713 CO 0.01 1.04 0.36 0.00 -2.27 0.00 0.00 179.45 178.59 1iwo s ALA 714 N -3.01 1.94 0.26 5.00 0.00 -0.85 -4.87 121.76 120.22 1iwo s ALA 714 Ca -0.03 0.83 0.33 0.00 0.00 0.00 0.00 51.96 53.09 1iwo s ALA 714 Cb 0.09 -3.48 1.50 0.00 0.00 0.00 0.00 23.12 21.23 1iwo s ALA 714 CO 0.85 -2.15 2.04 0.93 0.00 0.00 0.00 175.76 177.43 1iwo h GLU 715 N -0.73 0.00 -1.42 0.00 3.07 -1.66 -3.35 114.58 110.50 1iwo h GLU 715 Ca -0.47 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.17 1iwo h GLU 715 Cb 1.29 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.97 1iwo h GLU 715 CO 0.47 0.06 -0.58 0.42 -1.40 0.00 0.00 179.01 177.98 1iwo s ILE 716 N -3.84 -0.67 0.36 3.13 1.01 -0.85 -4.89 121.20 115.46 1iwo s ILE 716 Ca -0.01 -0.77 -0.27 0.00 0.00 0.00 0.00 60.65 59.60 1iwo s ILE 716 Cb 0.11 -0.32 -0.09 0.00 0.01 0.00 0.00 42.46 42.17 1iwo s ILE 716 CO 0.54 -0.29 1.18 -0.83 0.00 0.00 0.00 174.94 175.54 1iwo s GLY 717 N 1.33 2.93 -0.09 6.18 0.00 -1.24 -2.95 107.32 113.49 1iwo s GLY 717 Ca 0.21 1.01 0.03 0.00 0.00 0.00 0.00 44.72 45.97 1iwo s GLY 717 CO -0.06 1.57 -0.18 -0.42 0.00 0.00 0.00 173.10 174.01 1iwo s ILE 718 N -1.31 1.60 0.03 0.90 1.01 0.23 -1.36 121.20 122.30 1iwo s ILE 718 Ca 0.53 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.52 1iwo s ILE 718 Cb -0.33 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1iwo s ILE 718 CO 0.42 0.46 -0.22 0.00 0.00 0.00 0.00 174.94 175.60 1iwo s ALA 719 N 0.57 2.43 0.73 9.38 0.00 -0.81 -2.60 121.76 131.46 1iwo s ALA 719 Ca -0.15 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 1iwo s ALA 719 Cb -0.17 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.35 1iwo s ALA 719 CO 0.05 0.55 1.08 -1.64 0.00 0.00 0.00 175.76 175.81 1iwo s MET 720 N -1.27 2.57 0.09 0.00 1.00 -1.26 -0.42 119.30 120.01 1iwo s MET 720 Ca 0.13 1.12 -0.17 0.00 0.00 0.00 0.00 55.69 56.77 1iwo s MET 720 Cb -0.10 -1.94 -0.07 0.00 0.00 0.00 0.00 34.83 32.72 1iwo s MET 720 CO 0.03 -1.39 1.49 0.78 0.00 0.00 0.00 175.02 175.93 1iwo h GLY 721 N -0.83 0.61 1.31 -0.03 0.00 0.03 -2.60 103.07 101.56 1iwo h GLY 721 Ca -0.44 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1iwo h GLY 721 CO 0.54 0.45 0.00 -1.14 0.00 0.00 0.00 176.54 176.39 1iwo n SER 722 N -4.50 0.00 -3.60 0.19 3.41 -1.26 -4.87 113.62 103.00 1iwo n SER 722 Ca -0.03 -0.39 -0.30 0.00 -0.26 0.00 0.00 58.87 57.89 1iwo n SER 722 Cb 0.31 -0.16 0.28 0.00 -0.26 0.00 0.00 64.21 64.38 1iwo n SER 722 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1iwo s GLY 723 N -2.31 1.46 0.69 5.00 0.00 -0.98 -5.01 107.32 106.17 1iwo s GLY 723 Ca 0.30 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 44.11 1iwo s GLY 723 CO 0.33 0.17 1.06 -0.51 0.00 0.00 0.00 173.10 174.15 1iwo s THR 724 N -2.44 3.97 0.15 0.90 -4.23 -1.26 -4.92 115.64 107.81 1iwo s THR 724 Ca 0.69 0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 61.77 1iwo s THR 724 Cb -0.13 -3.38 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 1iwo s THR 724 CO 0.58 -0.81 1.51 0.00 -0.54 0.00 0.00 174.62 175.36 1iwo h ALA 725 N -0.62 0.63 -0.57 3.99 0.00 -1.97 -2.26 119.26 118.46 1iwo h ALA 725 Ca -0.44 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.13 1iwo h ALA 725 Cb 1.21 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1iwo h ALA 725 CO 0.57 0.68 0.20 -0.39 0.00 0.00 0.00 179.25 180.31 1iwo h VAL 726 N 0.82 0.78 0.46 0.00 -1.51 -1.94 0.66 116.25 115.53 1iwo h VAL 726 Ca 0.09 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 1iwo h VAL 726 Cb 0.90 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.41 1iwo h VAL 726 CO 0.08 0.07 -0.37 0.00 -1.23 0.00 0.00 177.57 176.13 1iwo h ALA 727 N 1.40 -0.85 0.12 5.19 0.00 -1.81 0.13 119.26 123.44 1iwo h ALA 727 Ca 0.29 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1iwo h ALA 727 Cb 0.34 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1iwo h ALA 727 CO -0.29 -1.01 -0.29 0.87 0.00 0.00 0.00 179.25 178.53 1iwo h LYS 728 N -0.82 -0.49 0.00 0.00 1.57 -0.75 0.32 116.57 116.40 1iwo h LYS 728 Ca -0.05 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iwo h LYS 728 Cb 0.70 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1iwo h LYS 728 CO -0.01 -0.33 0.00 1.79 -0.57 0.00 0.00 179.45 180.34 1iwo h THR 729 N -0.51 0.00 -0.52 -0.16 1.35 0.37 -0.37 112.91 113.07 1iwo h THR 729 Ca 0.03 -0.08 -0.09 0.00 -0.55 0.00 0.00 66.41 65.72 1iwo h THR 729 Cb 0.54 0.68 -0.05 0.00 -1.73 0.00 0.00 68.15 67.59 1iwo h THR 729 CO -0.17 0.00 0.09 0.00 -0.25 0.00 0.00 175.52 175.19 1iwo n ALA 730 N -1.80 3.90 -2.25 6.62 0.00 0.10 -3.86 120.51 123.23 1iwo n ALA 730 Ca -0.00 -2.28 -0.14 0.00 0.00 0.00 0.00 53.44 51.02 1iwo n ALA 730 Cb 0.10 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 1iwo n ALA 730 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1iwo s SER 731 N -1.35 1.55 0.05 0.00 1.04 -0.15 -4.24 113.70 110.61 1iwo s SER 731 Ca 0.51 -1.08 -0.08 0.00 0.48 0.00 0.00 55.95 55.78 1iwo s SER 731 Cb 0.40 0.04 -0.31 0.00 0.10 0.00 0.00 66.02 66.26 1iwo s SER 731 CO 0.12 -0.44 1.06 -0.33 0.98 0.00 0.00 173.24 174.63 1iwo h GLU 732 N 2.74 0.35 -4.82 4.02 3.07 -1.50 -3.44 114.58 115.00 1iwo h GLU 732 Ca -0.37 -0.60 -0.30 0.00 -0.50 0.00 0.00 59.36 57.60 1iwo h GLU 732 Cb 1.19 0.22 -0.15 0.00 -0.84 0.00 0.00 28.75 29.18 1iwo h GLU 732 CO 0.64 1.28 -0.66 -1.64 -1.40 0.00 0.00 179.01 177.23 1iwo s MET 733 N -2.63 1.15 -0.40 2.33 -1.94 -1.14 -0.71 119.30 115.96 1iwo s MET 733 Ca -0.06 -1.56 0.02 0.00 -1.71 0.00 0.00 55.69 52.38 1iwo s MET 733 Cb 0.06 -0.28 0.15 0.00 2.01 0.00 0.00 34.83 36.78 1iwo s MET 733 CO 0.90 -0.15 0.28 0.08 -0.01 0.00 0.00 175.02 176.12 1iwo s VAL 734 N -3.66 0.54 -0.64 -6.03 1.01 0.25 -1.92 120.40 109.96 1iwo s VAL 734 Ca 0.26 -2.31 -0.28 0.00 0.00 0.00 0.00 61.98 59.64 1iwo s VAL 734 Cb 0.06 -1.39 -0.12 0.00 0.00 0.00 0.00 36.38 34.94 1iwo s VAL 734 CO 0.05 -1.07 2.49 0.18 0.00 0.00 0.00 175.10 176.76 1iwo n LEU 735 N 3.42 1.70 -0.20 3.92 4.77 0.44 -3.60 117.00 127.45 1iwo n LEU 735 Ca 0.18 -0.25 0.03 0.00 -0.03 0.00 0.00 56.01 55.94 1iwo n LEU 735 Cb 0.41 -1.37 0.29 0.00 -2.33 0.00 0.00 43.42 40.42 1iwo n LEU 735 CO 0.14 -1.27 1.23 0.00 -1.33 0.00 0.00 177.39 176.16 1iwo h ALA 736 N 16.94 1.56 -0.10 -1.18 0.00 -1.48 0.64 119.26 135.65 1iwo h ALA 736 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1iwo h ALA 736 Cb 1.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1iwo h ALA 736 CO 1.22 0.37 0.00 -0.40 0.00 0.00 0.00 179.25 180.44 1iwo n ASP 737 N -4.45 2.04 -0.14 0.00 5.75 -1.25 -4.39 116.55 114.10 1iwo n ASP 737 Ca 0.09 -1.70 -0.01 0.00 -0.01 0.00 0.00 54.79 53.15 1iwo n ASP 737 Cb 0.11 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.14 1iwo n ASP 737 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1iwo n ASP 738 N 0.58 -3.62 -4.50 -1.12 8.00 -0.55 -4.85 116.55 110.49 1iwo n ASP 738 Ca 0.17 0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 1iwo n ASP 738 Cb 0.42 -2.41 -0.07 0.00 -0.02 0.00 0.00 41.12 39.04 1iwo n ASP 738 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1iwo s ASN 739 N -1.31 6.27 0.10 -2.24 3.04 -1.26 -3.69 114.94 115.84 1iwo s ASN 739 Ca 0.00 -0.52 -0.12 0.00 0.04 0.00 0.00 52.86 52.25 1iwo s ASN 739 Cb 0.00 -2.28 0.04 0.00 -1.54 0.00 0.00 41.25 37.47 1iwo s ASN 739 CO 0.00 -0.73 0.78 0.33 -3.04 0.00 0.00 177.10 174.44 1iwo n PHE 740 N 6.03 -0.10 -0.30 0.43 7.35 -1.11 0.41 117.46 130.15 1iwo n PHE 740 Ca -0.04 0.63 0.23 0.00 -0.76 0.00 0.00 57.45 57.51 1iwo n PHE 740 Cb 0.47 -0.61 0.43 0.00 0.35 0.00 0.00 39.48 40.12 1iwo n PHE 740 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1iwo n SER 741 N -4.69 0.15 0.07 -2.13 7.64 -1.26 0.21 113.62 113.61 1iwo n SER 741 Ca 0.03 1.54 0.21 0.00 1.01 0.00 0.00 58.87 61.66 1iwo n SER 741 Cb 0.17 -0.67 0.73 0.00 -1.01 0.00 0.00 64.21 63.42 1iwo n SER 741 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iwo h THR 742 N 0.00 0.37 0.45 0.44 1.03 -0.39 0.36 112.91 115.17 1iwo h THR 742 Ca 0.69 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 67.07 1iwo h THR 742 Cb 1.70 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 1iwo h THR 742 CO -0.77 0.00 -0.22 0.40 -0.01 0.00 0.00 175.52 174.92 1iwo h ILE 743 N 0.00 0.00 -0.75 0.00 2.04 0.23 -1.92 117.51 117.10 1iwo h ILE 743 Ca 0.22 -0.49 0.16 0.00 1.00 0.00 0.00 64.86 65.75 1iwo h ILE 743 Cb 1.19 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.16 1iwo h ILE 743 CO -0.00 0.00 0.20 0.58 0.00 0.00 0.00 178.15 178.93 1iwo h VAL 744 N -1.10 0.52 -0.29 1.67 2.07 -1.16 0.42 116.25 118.39 1iwo h VAL 744 Ca -0.06 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1iwo h VAL 744 Cb 0.46 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1iwo h VAL 744 CO 0.10 0.05 -0.33 0.00 0.02 0.00 0.00 177.57 177.42 1iwo h ALA 745 N 1.61 -0.28 0.07 1.67 0.00 -0.35 -1.23 119.26 120.75 1iwo h ALA 745 Ca 0.43 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1iwo h ALA 745 Cb 0.73 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1iwo h ALA 745 CO -0.50 -0.76 -0.03 0.00 0.00 0.00 0.00 179.25 177.95 1iwo h ALA 746 N 0.60 -0.10 -0.97 0.00 0.00 -0.17 -2.90 119.26 115.72 1iwo h ALA 746 Ca 0.14 -0.17 0.32 0.00 0.00 0.00 0.00 54.91 55.20 1iwo h ALA 746 Cb 0.54 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.21 1iwo h ALA 746 CO -0.46 -0.39 0.42 0.28 0.00 0.00 0.00 179.25 179.09 1iwo h VAL 747 N -0.42 0.19 0.69 0.00 2.07 0.11 0.12 116.25 119.01 1iwo h VAL 747 Ca -0.01 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1iwo h VAL 747 Cb 0.36 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1iwo h VAL 747 CO 0.02 0.03 -0.33 -0.08 0.02 0.00 0.00 177.57 177.23 1iwo h GLU 748 N 0.18 -0.89 -1.11 1.57 4.81 -1.11 -2.60 114.58 115.43 1iwo h GLU 748 Ca 0.70 0.06 0.32 0.00 -0.13 0.00 0.00 59.36 60.32 1iwo h GLU 748 Cb 1.63 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 31.17 1iwo h GLU 748 CO -0.70 -0.56 0.89 1.49 -0.73 0.00 0.00 179.01 179.40 1iwo h GLU 749 N -1.14 0.00 -0.24 1.92 4.57 -0.65 0.72 114.58 119.75 1iwo h GLU 749 Ca -0.09 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 1iwo h GLU 749 Cb 0.74 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1iwo h GLU 749 CO 0.15 0.00 -0.23 0.78 -1.18 0.00 0.00 179.01 178.53 1iwo h GLY 750 N 0.00 0.63 0.84 1.92 0.00 -0.71 -1.29 103.07 104.47 1iwo h GLY 750 Ca 0.52 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 47.24 1iwo h GLY 750 CO -0.01 0.58 0.25 3.21 0.00 0.00 0.00 176.54 180.58 1iwo h ARG 751 N 0.29 0.49 -0.84 4.80 3.08 0.73 -0.20 114.38 122.73 1iwo h ARG 751 Ca 0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1iwo h ARG 751 Cb 0.79 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 1iwo h ARG 751 CO 0.06 0.32 0.56 0.00 -1.07 0.00 0.00 179.97 179.84 1iwo h ALA 752 N 1.22 1.07 -0.10 0.04 0.00 -1.28 -2.05 119.26 118.17 1iwo h ALA 752 Ca 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1iwo h ALA 752 Cb 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1iwo h ALA 752 CO -0.11 0.47 -0.04 0.82 0.00 0.00 0.00 179.25 180.40 1iwo h ILE 753 N 1.14 1.31 0.00 0.00 1.08 -0.69 -2.73 117.51 117.61 1iwo h ILE 753 Ca 0.31 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 1iwo h ILE 753 Cb -0.12 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1iwo h ILE 753 CO -0.07 0.29 0.00 0.22 -0.69 0.00 0.00 178.15 177.90 1iwo h TYR 754 N -0.14 0.00 0.17 1.37 3.20 -0.96 -1.89 116.97 118.72 1iwo h TYR 754 Ca 0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1iwo h TYR 754 Cb 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1iwo h TYR 754 CO 0.06 0.00 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.59 1iwo h ASN 755 N 0.00 -0.20 0.13 -2.11 2.35 -1.19 -1.48 115.58 113.07 1iwo h ASN 755 Ca 0.00 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 1iwo h ASN 755 Cb 0.36 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1iwo h ASN 755 CO 0.00 0.33 -0.10 0.78 -1.65 0.00 0.00 177.43 176.80 1iwo h ASN 756 N -0.85 0.00 0.44 5.81 2.35 -1.40 -2.56 115.58 119.37 1iwo h ASN 756 Ca -0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1iwo h ASN 756 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1iwo h ASN 756 CO 0.04 0.10 -0.21 0.24 -1.65 0.00 0.00 177.43 175.95 1iwo h MET 757 N 0.00 -0.56 -0.55 0.81 2.86 -1.37 -2.82 114.93 113.30 1iwo h MET 757 Ca -0.00 0.04 0.16 0.00 -2.06 0.00 0.00 59.70 57.84 1iwo h MET 757 Cb 0.19 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1iwo h MET 757 CO 0.01 -0.26 0.99 -0.22 1.06 0.00 0.00 176.91 178.49 1iwo h LYS 758 N -0.98 0.00 0.00 1.72 3.64 -0.85 0.81 116.57 120.91 1iwo h LYS 758 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1iwo h LYS 758 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1iwo h LYS 758 CO 0.10 0.00 -0.03 0.37 -2.27 0.00 0.00 179.45 177.62 1iwo h GLN 759 N 0.00 0.00 -0.19 1.90 5.75 -1.29 -3.20 115.11 118.08 1iwo h GLN 759 Ca 0.26 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.82 1iwo h GLN 759 Cb 2.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.78 1iwo h GLN 759 CO -0.00 0.00 0.38 0.27 -2.65 0.00 0.00 178.83 176.83 1iwo h PHE 760 N -0.28 0.00 -0.07 3.99 -5.15 -0.97 1.21 116.94 115.67 1iwo h PHE 760 Ca 0.00 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.59 1iwo h PHE 760 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.19 1iwo h PHE 760 CO -0.01 0.00 -0.73 0.82 -2.00 0.00 0.00 178.31 176.39 1iwo h ILE 761 N 0.00 1.39 0.03 0.88 2.04 -1.04 -1.23 117.51 119.57 1iwo h ILE 761 Ca 0.09 -2.16 -0.16 0.00 1.00 0.00 0.00 64.86 63.63 1iwo h ILE 761 Cb 0.85 2.12 0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1iwo h ILE 761 CO -0.00 0.65 -0.64 0.03 0.00 0.00 0.00 178.15 178.19 1iwo h ARG 762 N 0.25 0.38 -0.69 2.37 3.08 0.13 -2.68 114.38 117.22 1iwo h ARG 762 Ca -0.03 -0.45 0.08 0.00 0.07 0.00 0.00 59.98 59.65 1iwo h ARG 762 Cb 1.30 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.44 1iwo h ARG 762 CO 0.12 1.13 0.46 -0.92 -1.07 0.00 0.00 179.97 179.68 1iwo h TYR 763 N -0.16 0.67 0.14 3.04 3.20 -0.61 -2.10 116.97 121.15 1iwo h TYR 763 Ca -0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1iwo h TYR 763 Cb 1.37 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1iwo h TYR 763 CO 0.16 0.34 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.88 1iwo h LEU 764 N 0.66 -0.16 -0.25 2.82 4.07 -1.21 -3.16 115.31 118.08 1iwo h LEU 764 Ca 0.31 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1iwo h LEU 764 Cb 0.35 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1iwo h LEU 764 CO -0.10 0.41 0.00 2.30 -1.08 0.00 0.00 178.44 179.97 1iwo n ILE 765 N -4.88 1.22 0.01 1.22 -5.35 -1.02 -2.10 119.36 108.47 1iwo n ILE 765 Ca -0.05 0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 62.65 1iwo n ILE 765 Cb 0.20 -1.22 -0.09 0.00 -1.74 0.00 0.00 39.64 36.79 1iwo n ILE 765 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1iwo h SER 766 N 0.00 -0.04 -0.76 7.28 4.64 -1.42 0.84 113.55 124.09 1iwo h SER 766 Ca 0.00 -0.41 0.04 0.00 -0.47 0.00 0.00 61.79 60.95 1iwo h SER 766 Cb 0.19 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 1iwo h SER 766 CO 0.00 0.40 0.47 0.77 -0.87 0.00 0.00 176.83 177.60 1iwo h SER 767 N -0.48 0.75 -0.02 4.97 4.64 -1.38 -1.25 113.55 120.78 1iwo h SER 767 Ca -0.00 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1iwo h SER 767 Cb 0.44 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1iwo h SER 767 CO 0.01 0.50 -0.22 0.78 -0.87 0.00 0.00 176.83 177.03 1iwo h ASN 768 N 0.89 -0.64 -0.16 4.97 4.21 -1.26 0.39 115.58 123.98 1iwo h ASN 768 Ca 0.32 0.09 0.03 0.00 1.21 0.00 0.00 56.30 57.95 1iwo h ASN 768 Cb 0.09 0.27 -0.06 0.00 -1.12 0.00 0.00 38.32 37.50 1iwo h ASN 768 CO -0.14 -0.28 -0.47 0.58 -1.29 0.00 0.00 177.43 175.83 1iwo h VAL 769 N -0.33 0.00 -0.35 2.81 2.07 0.13 0.52 116.25 121.10 1iwo h VAL 769 Ca 0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1iwo h VAL 769 Cb 0.42 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.11 1iwo h VAL 769 CO -0.21 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 178.36 1iwo h GLY 770 N -0.47 -0.09 -0.53 2.17 0.00 -0.91 -2.03 103.07 101.21 1iwo h GLY 770 Ca 0.03 0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.79 1iwo h GLY 770 CO -0.40 -0.20 -0.35 0.83 0.00 0.00 0.00 176.54 176.41 1iwo h GLU 771 N -0.20 -0.13 0.04 4.80 5.08 0.10 -1.13 114.58 123.13 1iwo h GLU 771 Ca 0.17 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1iwo h GLU 771 Cb 0.48 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1iwo h GLU 771 CO -0.47 -0.09 -0.33 0.28 -1.00 0.00 0.00 179.01 177.40 1iwo h VAL 772 N -0.14 0.29 -0.85 3.13 2.07 -0.26 -1.02 116.25 119.46 1iwo h VAL 772 Ca 0.25 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.93 1iwo h VAL 772 Cb 0.56 0.29 -0.16 0.00 -1.52 0.00 0.00 31.29 30.46 1iwo h VAL 772 CO -0.74 0.00 -0.28 0.58 0.02 0.00 0.00 177.57 177.16 1iwo h VAL 773 N -0.51 0.11 -0.39 2.57 2.07 -0.69 0.72 116.25 120.13 1iwo h VAL 773 Ca 0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.65 1iwo h VAL 773 Cb 0.58 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 1iwo h VAL 773 CO -0.25 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.19 1iwo n ILE 775 N -5.35 0.63 -0.04 0.00 2.08 0.20 -2.24 119.36 114.65 1iwo n ILE 775 Ca 0.02 0.16 -0.04 0.00 0.56 0.00 0.00 62.75 63.45 1iwo n ILE 775 Cb 0.26 -0.87 -0.14 0.00 -0.75 0.00 0.00 39.64 38.14 1iwo n ILE 775 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 1iwo n PHE 776 N -1.37 0.39 0.11 1.39 7.35 0.14 -3.75 117.46 121.72 1iwo n PHE 776 Ca 0.07 0.13 -0.06 0.00 -0.76 0.00 0.00 57.45 56.83 1iwo n PHE 776 Cb 0.16 -0.97 -0.03 0.00 0.35 0.00 0.00 39.48 39.00 1iwo n PHE 776 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1iwo h LEU 777 N 0.00 -0.31 -1.48 -2.13 3.38 -0.51 -2.86 115.31 111.40 1iwo h LEU 777 Ca -0.33 0.01 0.40 0.00 0.09 0.00 0.00 57.88 58.05 1iwo h LEU 777 Cb 1.85 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.62 1iwo h LEU 777 CO 0.04 0.13 1.26 0.00 0.09 0.00 0.00 178.44 179.95 1iwo h THR 778 N -1.07 0.03 0.00 0.22 1.03 -1.66 2.37 112.91 113.83 1iwo h THR 778 Ca -0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 66.19 1iwo h THR 778 Cb 0.28 0.05 -0.03 0.00 -1.07 0.00 0.00 68.15 67.38 1iwo h THR 778 CO 0.06 0.00 -0.92 0.00 -0.01 0.00 0.00 175.52 174.65 1iwo h ALA 779 N 0.78 0.57 0.09 0.00 0.00 -1.62 -3.00 119.26 116.07 1iwo h ALA 779 Ca 0.65 -0.76 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 1iwo h ALA 779 Cb 3.16 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.93 1iwo h ALA 779 CO -0.01 0.97 -1.55 0.00 0.00 0.00 0.00 179.25 178.66 1iwo h ALA 780 N 1.27 0.28 -0.43 0.00 0.00 0.41 -3.36 119.26 117.43 1iwo h ALA 780 Ca -0.06 -1.22 -0.21 0.00 0.00 0.00 0.00 54.91 53.43 1iwo h ALA 780 Cb 1.61 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 19.89 1iwo h ALA 780 CO 0.09 0.95 0.27 1.28 0.00 0.00 0.00 179.25 181.83 1iwo n LEU 781 N -3.92 4.55 -0.21 0.00 4.77 0.28 -4.90 117.00 117.57 1iwo n LEU 781 Ca -0.29 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 1iwo n LEU 781 Cb 0.89 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1iwo n LEU 781 CO 0.36 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1iwo n GLY 782 N -0.19 0.00 3.72 -0.72 0.00 -1.14 -4.26 105.19 102.60 1iwo n GLY 782 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 1iwo n GLY 782 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwo s LEU 783 N -0.43 3.25 0.51 0.99 1.43 -1.18 -4.87 118.68 118.39 1iwo s LEU 783 Ca 0.00 2.27 -0.23 0.00 -1.03 0.00 0.00 54.13 55.14 1iwo s LEU 783 Cb 0.00 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.58 1iwo s LEU 783 CO 0.00 -2.29 1.32 -2.65 0.23 0.00 0.00 176.35 172.96 1iwo n PRO 784 N -2.93 1.76 -1.71 1.29 -0.02 -1.26 -4.78 135.00 127.35 1iwo n PRO 784 Ca 0.13 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 1iwo n PRO 784 Cb 0.51 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1iwo n PRO 784 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1iwo s GLU 785 N -2.68 4.14 0.29 -0.52 -1.05 -1.26 -4.83 118.70 112.79 1iwo s GLU 785 Ca 0.68 2.58 0.05 0.00 -0.15 0.00 0.00 54.97 58.14 1iwo s GLU 785 Cb -0.44 -3.85 0.44 0.00 -0.44 0.00 0.00 34.13 29.85 1iwo s GLU 785 CO 0.52 -0.89 1.71 0.00 0.95 0.00 0.00 175.26 177.55 1iwo h ALA 786 N 9.47 1.11 -3.89 -0.84 0.00 -1.93 -3.45 119.26 119.74 1iwo h ALA 786 Ca -0.47 -0.38 -0.48 0.00 0.00 0.00 0.00 54.91 53.58 1iwo h ALA 786 Cb 1.22 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 1iwo h ALA 786 CO 0.94 0.57 -0.81 -0.51 0.00 0.00 0.00 179.25 179.44 1iwo s LEU 787 N -8.44 2.15 0.11 0.00 1.43 -1.26 -4.33 118.68 108.34 1iwo s LEU 787 Ca -0.06 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1iwo s LEU 787 Cb 0.14 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 1iwo s LEU 787 CO 0.78 0.08 -0.10 -0.63 0.23 0.00 0.00 176.35 176.71 1iwo s ILE 788 N -0.76 3.36 0.29 -0.59 1.01 -1.26 -5.01 121.20 118.24 1iwo s ILE 788 Ca 0.03 -1.32 0.05 0.00 0.00 0.00 0.00 60.65 59.41 1iwo s ILE 788 Cb -0.08 -2.58 0.29 0.00 0.01 0.00 0.00 42.46 40.10 1iwo s ILE 788 CO 0.01 0.08 1.70 1.55 0.00 0.00 0.00 174.94 178.28 1iwo h PRO 789 N 3.51 0.40 -0.08 2.79 0.13 -1.91 -1.29 132.00 135.55 1iwo h PRO 789 Ca -0.49 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1iwo h PRO 789 Cb 1.17 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 1iwo h PRO 789 CO 0.52 0.27 -0.36 0.28 -0.23 0.00 0.00 178.00 178.48 1iwo h VAL 790 N 0.42 0.24 0.77 1.56 2.07 -1.95 0.11 116.25 119.46 1iwo h VAL 790 Ca 0.57 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.05 1iwo h VAL 790 Cb 1.09 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1iwo h VAL 790 CO -0.53 0.00 -0.37 1.56 0.02 0.00 0.00 177.57 178.26 1iwo h GLN 791 N -0.46 -0.99 -0.86 1.57 4.20 -1.69 -2.62 115.11 114.26 1iwo h GLN 791 Ca 0.08 0.07 0.29 0.00 0.06 0.00 0.00 58.65 59.14 1iwo h GLN 791 Cb 0.58 0.23 -0.16 0.00 0.30 0.00 0.00 27.48 28.43 1iwo h GLN 791 CO -0.34 -0.66 0.20 1.28 -0.67 0.00 0.00 178.83 178.64 1iwo n LEU 792 N -4.90 0.06 0.24 1.46 4.77 -0.58 -0.00 117.00 118.05 1iwo n LEU 792 Ca -0.13 1.45 -0.12 0.00 -0.03 0.00 0.00 56.01 57.18 1iwo n LEU 792 Cb 0.41 -0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1iwo n LEU 792 CO 0.31 -1.53 0.52 -0.07 -1.33 0.00 0.00 177.39 175.29 1iwo h LEU 793 N 0.00 -0.79 -1.86 2.23 -0.00 -0.43 -1.42 115.31 113.04 1iwo h LEU 793 Ca 0.61 0.05 0.32 0.00 -0.00 0.00 0.00 57.88 58.86 1iwo h LEU 793 Cb 1.42 0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 42.28 1iwo h LEU 793 CO -0.75 -0.45 0.90 -0.25 -0.00 0.00 0.00 178.44 177.89 1iwo h TRP 794 N -0.71 0.00 0.00 1.13 7.01 -0.08 -1.40 115.95 121.90 1iwo h TRP 794 Ca -0.06 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1iwo h TRP 794 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.64 1iwo h TRP 794 CO -0.07 0.00 0.00 0.28 -2.79 0.00 0.00 178.44 175.86 1iwo n VAL 795 N -3.93 0.00 0.00 2.65 0.31 -0.30 -0.76 118.33 116.30 1iwo n VAL 795 Ca 0.24 0.73 0.00 0.00 -0.01 0.00 0.00 64.34 65.30 1iwo n VAL 795 Cb 1.26 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1iwo n VAL 795 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1iwo n ASN 796 N -0.54 0.00 -0.07 4.52 3.02 -0.80 -1.55 115.26 119.85 1iwo n ASN 796 Ca 0.00 0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 1iwo n ASN 796 Cb 0.00 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.02 1iwo n ASN 796 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1iwo n LEU 797 N -1.02 2.39 0.00 3.41 7.94 -0.58 -4.43 117.00 124.72 1iwo n LEU 797 Ca 0.00 -0.06 -0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1iwo n LEU 797 Cb 0.01 -0.35 -0.00 0.00 0.53 0.00 0.00 43.42 43.62 1iwo n LEU 797 CO 0.00 0.65 -0.01 0.52 -1.11 0.00 0.00 177.39 177.44 1iwo n VAL 798 N -2.82 0.11 -0.30 1.96 0.31 0.06 -4.12 118.33 113.53 1iwo n VAL 798 Ca -0.24 0.08 0.05 0.00 -0.01 0.00 0.00 64.34 64.22 1iwo n VAL 798 Cb 0.79 -1.11 0.14 0.00 -0.91 0.00 0.00 33.84 32.75 1iwo n VAL 798 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1iwo h THR 799 N -0.01 0.17 0.00 2.52 1.35 -1.19 -0.14 112.91 115.61 1iwo h THR 799 Ca 0.00 -0.01 -0.24 0.00 -0.55 0.00 0.00 66.41 65.61 1iwo h THR 799 Cb 0.01 0.15 -0.04 0.00 -1.73 0.00 0.00 68.15 66.54 1iwo h THR 799 CO 0.00 0.00 -1.30 0.44 -0.25 0.00 0.00 175.52 174.42 1iwo h ASP 800 N 0.02 0.00 -0.15 5.36 3.32 -1.58 -3.40 116.42 119.99 1iwo h ASP 800 Ca 0.43 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.51 1iwo h ASP 800 Cb 0.70 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 1iwo h ASP 800 CO -0.84 1.00 -0.54 1.23 -1.72 0.00 0.00 179.24 178.37 1iwo h GLY 801 N 3.22 -1.10 0.16 2.75 0.00 -1.18 -1.91 103.07 105.00 1iwo h GLY 801 Ca -0.13 0.69 0.03 0.00 0.00 0.00 0.00 47.33 47.92 1iwo h GLY 801 CO 0.11 -0.20 -0.42 1.41 0.00 0.00 0.00 176.54 177.44 1iwo h LEU 802 N -0.57 -1.27 -1.90 3.11 -0.00 -1.70 -0.16 115.31 112.82 1iwo h LEU 802 Ca 0.03 0.15 0.13 0.00 -0.00 0.00 0.00 57.88 58.20 1iwo h LEU 802 Cb 0.67 0.50 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 1iwo h LEU 802 CO -0.44 -0.46 0.36 -0.65 -0.00 0.00 0.00 178.44 177.25 1iwo h PRO 803 N -0.58 0.11 0.28 1.13 0.11 -1.75 0.17 132.00 131.47 1iwo h PRO 803 Ca 0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1iwo h PRO 803 Cb 0.65 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1iwo h PRO 803 CO -0.31 0.07 -0.13 0.00 -0.21 0.00 0.00 178.00 177.41 1iwo h ALA 804 N 1.74 -0.38 -0.30 -0.75 0.00 -0.26 0.24 119.26 119.55 1iwo h ALA 804 Ca 0.24 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1iwo h ALA 804 Cb 0.82 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1iwo h ALA 804 CO -0.03 -0.65 0.14 1.15 0.00 0.00 0.00 179.25 179.87 1iwo h THR 805 N -0.51 0.98 -0.81 0.00 2.02 0.62 -2.13 112.91 113.08 1iwo h THR 805 Ca -0.04 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1iwo h THR 805 Cb 0.38 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1iwo h THR 805 CO 0.06 0.05 0.39 0.00 0.37 0.00 0.00 175.52 176.40 1iwo h ALA 806 N 1.16 1.16 0.00 6.16 0.00 -0.72 -1.95 119.26 125.07 1iwo h ALA 806 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1iwo h ALA 806 Cb 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1iwo h ALA 806 CO -0.10 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1iwo n LEU 807 N -4.31 0.00 -0.06 0.00 4.77 0.82 0.08 117.00 118.30 1iwo n LEU 807 Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1iwo n LEU 807 Cb 0.14 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.08 1iwo n LEU 807 CO 0.39 0.00 -0.81 0.61 -1.33 0.00 0.00 177.39 176.25 1iwo n GLY 808 N -0.69 -1.00 0.00 -0.72 0.00 -0.73 -4.06 105.19 97.99 1iwo n GLY 808 Ca 0.02 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.92 1iwo n GLY 808 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iwo n PHE 809 N -2.92 0.00 -1.66 1.61 3.72 0.11 -4.74 117.46 113.59 1iwo n PHE 809 Ca -0.24 0.00 -0.52 0.00 -0.05 0.00 0.00 57.45 56.64 1iwo n PHE 809 Cb 1.10 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.58 1iwo n PHE 809 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1iwo n ASN 810 N -0.68 2.53 -4.55 4.37 4.13 -1.23 -4.80 115.26 115.02 1iwo n ASN 810 Ca 0.07 1.07 -0.50 0.00 1.68 0.00 0.00 54.58 56.90 1iwo n ASN 810 Cb 0.03 -1.26 -0.05 0.00 -1.54 0.00 0.00 39.78 36.97 1iwo n ASN 810 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1iwo n PRO 811 N 4.47 0.92 -1.54 3.52 -0.04 -1.26 -4.76 135.00 136.30 1iwo n PRO 811 Ca 0.22 0.33 -0.45 0.00 -0.04 0.00 0.00 63.50 63.56 1iwo n PRO 811 Cb 0.21 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 31.84 1iwo n PRO 811 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1iwo n PRO 812 N 1.70 1.53 -1.61 0.54 -0.04 -1.26 -4.91 135.00 130.95 1iwo n PRO 812 Ca 0.16 0.38 -0.47 0.00 -0.04 0.00 0.00 63.50 63.53 1iwo n PRO 812 Cb 0.22 -2.99 -0.03 0.00 -0.04 0.00 0.00 33.50 30.66 1iwo n PRO 812 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1iwo n ASP 813 N 11.64 1.72 -3.91 3.54 2.03 -1.26 -4.98 116.55 125.34 1iwo n ASP 813 Ca 0.35 1.15 -0.30 0.00 0.52 0.00 0.00 54.79 56.51 1iwo n ASP 813 Cb 0.38 -1.29 0.21 0.00 -0.72 0.00 0.00 41.12 39.71 1iwo n ASP 813 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1iwo s LEU 814 N 0.46 2.55 -1.73 -2.67 0.20 -1.26 -3.96 118.68 112.27 1iwo s LEU 814 Ca 0.69 0.18 -0.00 0.00 0.69 0.00 0.00 54.13 55.69 1iwo s LEU 814 Cb -0.77 -2.08 0.00 0.00 -0.43 0.00 0.00 46.19 42.91 1iwo s LEU 814 CO 0.53 -3.07 0.02 0.47 -0.29 0.00 0.00 176.35 174.01 1iwo n ASP 815 N -3.98 -5.79 0.01 3.68 9.92 -1.26 -4.87 116.55 114.26 1iwo n ASP 815 Ca 0.17 -0.03 -0.18 0.00 -0.53 0.00 0.00 54.79 54.22 1iwo n ASP 815 Cb 0.59 -4.80 -0.11 0.00 -0.64 0.00 0.00 41.12 36.16 1iwo n ASP 815 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1iwo h ILE 816 N -0.05 1.38 -0.54 0.53 -0.00 -1.97 -3.29 117.51 113.58 1iwo h ILE 816 Ca -0.48 -2.09 0.00 0.00 -0.00 0.00 0.00 64.86 62.28 1iwo h ILE 816 Cb 1.36 2.50 0.00 0.00 -0.00 0.00 0.00 36.82 40.67 1iwo h ILE 816 CO 0.57 0.62 0.00 0.23 -0.00 0.00 0.00 178.15 179.57 1iwo n MET 817 N -4.13 2.37 -0.53 2.19 2.81 -1.26 -4.12 117.12 114.44 1iwo n MET 817 Ca -0.10 -2.11 0.09 0.00 -1.81 0.00 0.00 57.70 53.77 1iwo n MET 817 Cb 0.72 -1.47 0.32 0.00 -0.71 0.00 0.00 33.22 32.08 1iwo n MET 817 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1iwo n ASP 818 N 1.23 4.26 -4.28 7.83 9.92 -1.24 -0.66 116.55 133.61 1iwo n ASP 818 Ca 0.20 -2.35 -0.21 0.00 -0.53 0.00 0.00 54.79 51.90 1iwo n ASP 818 Cb 0.51 -0.54 -0.11 0.00 -0.64 0.00 0.00 41.12 40.34 1iwo n ASP 818 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1iwo s ARG 819 N -1.73 1.14 1.08 -1.24 0.52 -1.26 -4.89 118.95 112.57 1iwo s ARG 819 Ca 0.46 -1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 1iwo s ARG 819 Cb 0.29 -1.16 0.23 0.00 0.52 0.00 0.00 34.95 34.84 1iwo s ARG 819 CO 0.23 0.24 1.06 -1.25 0.02 0.00 0.00 175.30 175.60 1iwo s PRO 820 N -2.56 -0.23 0.43 3.54 0.04 -1.26 -4.41 135.00 130.55 1iwo s PRO 820 Ca 0.11 0.88 -0.25 0.00 0.04 0.00 0.00 61.00 61.78 1iwo s PRO 820 Cb -0.06 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 32.77 1iwo s PRO 820 CO 0.05 -3.27 1.22 -2.14 0.04 0.00 0.00 177.00 172.90 1iwo s PRO 821 N -4.62 3.87 0.07 0.56 0.02 -1.25 -4.94 135.00 128.72 1iwo s PRO 821 Ca 0.67 1.95 -0.33 0.00 0.02 0.00 0.00 61.00 63.31 1iwo s PRO 821 Cb -0.23 -2.59 -0.12 0.00 0.02 0.00 0.00 34.50 31.58 1iwo s PRO 821 CO 0.62 -0.51 1.76 0.54 -0.33 0.00 0.00 177.00 179.08 1iwo n ARG 822 N -0.16 2.39 -2.14 5.54 5.12 -1.26 -4.92 116.66 121.23 1iwo n ARG 822 Ca 0.05 0.87 -0.41 0.00 -1.93 0.00 0.00 57.85 56.43 1iwo n ARG 822 Cb 0.46 -2.71 -0.03 0.00 -1.16 0.00 0.00 32.46 29.02 1iwo n ARG 822 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1iwo s SER 823 N 2.52 6.80 0.46 0.55 0.15 -1.26 -4.85 113.70 118.07 1iwo s SER 823 Ca 0.84 2.48 0.14 0.00 0.70 0.00 0.00 55.95 60.11 1iwo s SER 823 Cb -0.61 -2.61 1.07 0.00 -1.71 0.00 0.00 66.02 62.16 1iwo s SER 823 CO 0.42 -0.60 2.04 -0.65 1.20 0.00 0.00 173.24 175.64 1iwo h PRO 824 N 5.49 0.31 -0.30 5.44 0.11 -1.93 -1.05 132.00 140.07 1iwo h PRO 824 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1iwo h PRO 824 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1iwo h PRO 824 CO 0.79 0.20 0.10 0.87 -0.21 0.00 0.00 178.00 179.76 1iwo h LYS 825 N 0.32 0.43 -6.04 1.05 1.79 -1.98 -3.44 116.57 108.69 1iwo h LYS 825 Ca 0.18 -0.05 -0.69 0.00 -2.18 0.00 0.00 60.65 57.91 1iwo h LYS 825 Cb 0.31 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1iwo h LYS 825 CO -0.04 0.37 1.28 -1.91 -1.08 0.00 0.00 179.45 178.07 1iwo n GLU 826 N -4.40 1.06 -2.02 3.15 2.13 -0.40 -4.94 120.64 115.23 1iwo n GLU 826 Ca 0.01 0.33 -0.32 0.00 0.66 0.00 0.00 57.16 57.84 1iwo n GLU 826 Cb 0.15 -2.31 0.01 0.00 0.27 0.00 0.00 31.44 29.56 1iwo n GLU 826 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1iwo s PRO 827 N 5.49 3.45 0.15 5.31 0.04 -1.26 -4.98 135.00 143.20 1iwo s PRO 827 Ca 1.07 1.02 0.04 0.00 0.04 0.00 0.00 61.00 63.17 1iwo s PRO 827 Cb -0.95 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.47 1iwo s PRO 827 CO 0.54 -0.69 1.35 -0.07 0.04 0.00 0.00 177.00 178.17 1iwo h LEU 828 N 0.23 0.17 -7.39 -3.56 3.38 -1.98 -3.44 115.31 102.72 1iwo h LEU 828 Ca -0.46 -0.15 -0.43 0.00 0.09 0.00 0.00 57.88 56.93 1iwo h LEU 828 Cb 1.20 -0.05 -0.39 0.00 0.09 0.00 0.00 40.66 41.51 1iwo h LEU 828 CO 0.59 1.00 -0.76 -0.63 0.09 0.00 0.00 178.44 178.74 1iwo s ILE 829 N -3.04 0.25 0.39 1.22 1.01 -1.26 -5.02 121.20 114.75 1iwo s ILE 829 Ca -0.02 0.10 -0.14 0.00 0.00 0.00 0.00 60.65 60.59 1iwo s ILE 829 Cb 0.10 -0.50 0.05 0.00 0.01 0.00 0.00 42.46 42.12 1iwo s ILE 829 CO 0.82 0.16 0.78 -0.94 0.00 0.00 0.00 174.94 175.76 1iwo s SER 830 N 2.02 0.09 0.00 3.58 1.04 -1.26 -4.83 113.70 114.34 1iwo s SER 830 Ca 0.04 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1iwo s SER 830 Cb -0.13 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1iwo s SER 830 CO -0.05 -1.70 0.00 0.61 0.98 0.00 0.00 173.24 173.08 1iwo n GLY 831 N -0.54 1.04 0.32 7.32 0.00 -1.26 -1.21 105.19 110.85 1iwo n GLY 831 Ca -0.08 -0.19 0.16 0.00 0.00 0.00 0.00 46.02 45.91 1iwo n GLY 831 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1iwo h TRP 832 N 0.00 0.43 -0.73 1.61 2.91 -2.00 0.52 115.95 118.69 1iwo h TRP 832 Ca 0.00 0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.11 1iwo h TRP 832 Cb 0.00 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 28.57 1iwo h TRP 832 CO 0.00 -0.24 0.48 1.25 -1.03 0.00 0.00 178.44 178.90 1iwo h LEU 833 N 0.20 0.76 0.19 0.65 5.85 -1.62 0.27 115.31 121.60 1iwo h LEU 833 Ca 0.60 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.31 1iwo h LEU 833 Cb 1.28 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1iwo h LEU 833 CO -0.68 0.52 -0.13 0.15 -0.34 0.00 0.00 178.44 177.96 1iwo h PHE 834 N 0.88 -0.34 -1.08 1.25 3.57 0.15 -1.92 116.94 119.45 1iwo h PHE 834 Ca 0.29 -0.00 0.29 0.00 3.53 0.00 0.00 57.97 62.08 1iwo h PHE 834 Cb 0.07 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.84 1iwo h PHE 834 CO -0.00 -0.18 0.70 0.35 -2.23 0.00 0.00 178.31 176.95 1iwo h PHE 835 N -0.30 0.58 0.32 0.41 3.57 -1.14 0.37 116.94 120.76 1iwo h PHE 835 Ca -0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1iwo h PHE 835 Cb 0.24 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1iwo h PHE 835 CO 0.02 0.03 -0.15 -0.09 -2.23 0.00 0.00 178.31 175.88 1iwo h ARG 836 N 0.32 -0.41 0.00 1.11 2.43 -0.18 -0.33 114.38 117.33 1iwo h ARG 836 Ca 0.61 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.74 1iwo h ARG 836 Cb 1.68 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.31 1iwo h ARG 836 CO -0.28 -0.16 -0.35 1.88 -1.51 0.00 0.00 179.97 179.55 1iwo h TYR 837 N -0.62 0.00 -0.57 2.20 0.05 -0.55 0.51 116.97 117.99 1iwo h TYR 837 Ca -0.04 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.79 1iwo h TYR 837 Cb 0.45 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1iwo h TYR 837 CO -0.01 0.35 0.38 1.98 -1.05 0.00 0.00 178.16 179.81 1iwo h MET 838 N 0.00 0.53 0.00 4.88 4.05 0.20 0.65 114.93 125.23 1iwo h MET 838 Ca -0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1iwo h MET 838 Cb 0.77 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1iwo h MET 838 CO 0.05 0.35 -0.30 0.00 0.23 0.00 0.00 176.91 177.24 1iwo h ALA 839 N 1.69 0.01 -1.17 0.39 0.00 -0.26 -2.58 119.26 117.34 1iwo h ALA 839 Ca 0.24 -0.31 0.34 0.00 0.00 0.00 0.00 54.91 55.18 1iwo h ALA 839 Cb 0.27 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1iwo h ALA 839 CO -0.07 0.28 0.90 0.82 0.00 0.00 0.00 179.25 181.18 1iwo h ILE 840 N -1.00 0.33 0.05 0.00 1.08 -0.77 0.28 117.51 117.48 1iwo h ILE 840 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1iwo h ILE 840 Cb 0.33 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1iwo h ILE 840 CO -0.01 0.00 -0.02 1.23 -0.69 0.00 0.00 178.15 178.66 1iwo h GLY 841 N 0.00 -0.07 0.41 5.37 0.00 0.20 -2.96 103.07 106.01 1iwo h GLY 841 Ca 0.56 0.03 0.13 0.00 0.00 0.00 0.00 47.33 48.04 1iwo h GLY 841 CO -0.01 -0.03 0.56 -1.33 0.00 0.00 0.00 176.54 175.74 1iwo h GLY 842 N -0.94 1.53 0.72 4.60 0.00 -0.25 0.10 103.07 108.84 1iwo h GLY 842 Ca -0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1iwo h GLY 842 CO 0.01 0.10 -0.49 -1.82 0.00 0.00 0.00 176.54 174.34 1iwo h TYR 843 N 0.86 -1.32 -0.70 5.60 3.20 -0.70 -1.09 116.97 122.83 1iwo h TYR 843 Ca 0.48 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.32 1iwo h TYR 843 Cb 0.53 0.48 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 1iwo h TYR 843 CO -0.03 -0.71 0.36 -0.39 -1.64 0.00 0.00 178.16 175.75 1iwo h VAL 844 N -1.15 1.22 0.00 1.81 -1.51 -1.31 0.63 116.25 115.94 1iwo h VAL 844 Ca -0.10 -0.57 -0.00 0.00 -1.23 0.00 0.00 66.70 64.80 1iwo h VAL 844 Cb 0.93 0.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.39 1iwo h VAL 844 CO 0.07 0.25 -0.00 1.23 -1.23 0.00 0.00 177.57 177.89 1iwo h GLY 845 N 1.04 0.00 0.04 5.19 0.00 -0.64 -0.62 103.07 108.08 1iwo h GLY 845 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.17 1iwo h GLY 845 CO -0.04 0.00 -2.29 0.00 0.00 0.00 0.00 176.54 174.21 1iwo n ALA 846 N -2.09 1.16 -0.24 3.60 0.00 -0.43 -2.56 120.51 119.96 1iwo n ALA 846 Ca -0.01 -0.97 0.03 0.00 0.00 0.00 0.00 53.44 52.49 1iwo n ALA 846 Cb 0.21 -0.09 0.15 0.00 0.00 0.00 0.00 19.45 19.72 1iwo n ALA 846 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwo h ALA 847 N -0.61 0.96 -0.19 0.00 0.00 0.39 -1.45 119.26 118.36 1iwo h ALA 847 Ca -0.60 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1iwo h ALA 847 Cb 1.66 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1iwo h ALA 847 CO -0.28 -0.15 0.05 1.79 0.00 0.00 0.00 179.25 180.66 1iwo h THR 848 N 0.49 0.93 0.31 0.00 1.35 -1.33 0.11 112.91 114.77 1iwo h THR 848 Ca 0.37 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1iwo h THR 848 Cb 0.48 0.79 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 1iwo h THR 848 CO -0.33 0.02 -0.42 0.58 -0.25 0.00 0.00 175.52 175.12 1iwo h VAL 849 N 0.13 0.00 0.00 6.82 2.07 -1.44 -1.96 116.25 121.87 1iwo h VAL 849 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1iwo h VAL 849 Cb 0.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1iwo h VAL 849 CO -0.10 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.10 1iwo n GLY 850 N -1.44 -0.91 0.00 2.17 0.00 -0.82 -1.38 105.19 102.81 1iwo n GLY 850 Ca -0.09 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1iwo n GLY 850 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwo n ALA 851 N -1.68 2.03 -0.03 4.61 0.00 0.37 -1.77 120.51 124.03 1iwo n ALA 851 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 1iwo n ALA 851 Cb 0.10 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1iwo n ALA 851 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwo n ALA 852 N -1.51 2.10 0.19 0.00 0.00 -0.48 -4.17 120.51 116.64 1iwo n ALA 852 Ca 0.05 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.34 1iwo n ALA 852 Cb 0.26 0.37 0.66 0.00 0.00 0.00 0.00 19.45 20.74 1iwo n ALA 852 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwo h ALA 853 N -0.09 1.01 0.23 0.00 0.00 -1.26 0.39 119.26 119.55 1iwo h ALA 853 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.43 1iwo h ALA 853 Cb 1.20 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.02 1iwo h ALA 853 CO -0.05 -0.01 -1.44 2.35 0.00 0.00 0.00 179.25 180.09 1iwo h TRP 854 N 0.00 0.92 0.00 0.00 7.01 -1.58 -1.96 115.95 120.33 1iwo h TRP 854 Ca 0.00 -0.67 0.00 0.00 2.11 0.00 0.00 58.89 60.33 1iwo h TRP 854 Cb 0.04 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 1iwo h TRP 854 CO 0.00 1.52 0.00 1.87 -2.79 0.00 0.00 178.44 179.04 1iwo n TRP 855 N -3.69 0.58 -0.04 2.65 -0.00 0.14 -0.61 117.44 116.46 1iwo n TRP 855 Ca -0.15 0.26 -0.04 0.00 -0.00 0.00 0.00 57.50 57.57 1iwo n TRP 855 Cb 1.09 -0.91 -0.01 0.00 -0.00 0.00 0.00 31.31 31.48 1iwo n TRP 855 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1iwo n PHE 856 N -2.06 0.21 0.00 5.87 3.01 -1.06 -4.50 117.46 118.94 1iwo n PHE 856 Ca 0.01 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1iwo n PHE 856 Cb 0.14 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 1iwo n PHE 856 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1iwo n MET 857 N -3.48 0.00 0.00 -1.08 2.81 -0.74 -0.52 117.12 114.11 1iwo n MET 857 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1iwo n MET 857 Cb 0.21 -0.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.64 1iwo n MET 857 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1iwo n TYR 858 N 0.00 0.00 -1.45 2.03 9.36 -1.19 -3.45 117.16 122.46 1iwo n TYR 858 Ca 0.00 0.00 -0.57 0.00 3.32 0.00 0.00 57.90 60.65 1iwo n TYR 858 Cb 0.00 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.63 1iwo n TYR 858 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iwo n ALA 859 N -0.67 -3.10 0.13 2.98 0.00 0.22 -4.90 120.51 115.17 1iwo n ALA 859 Ca 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 53.44 53.92 1iwo n ALA 859 Cb 0.00 -1.68 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 1iwo n ALA 859 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1iwo h GLU 860 N 3.13 -0.39 -4.42 0.00 4.22 -1.87 -3.43 114.58 111.81 1iwo h GLU 860 Ca -0.47 0.03 -0.63 0.00 0.08 0.00 0.00 59.36 58.37 1iwo h GLU 860 Cb 1.33 0.09 -0.39 0.00 0.50 0.00 0.00 28.75 30.28 1iwo h GLU 860 CO 0.66 -0.26 -0.76 -0.51 -2.18 0.00 0.00 179.01 175.96 1iwo s ASP 861 N -4.95 4.34 0.00 1.04 1.01 -1.26 -4.95 116.67 111.89 1iwo s ASP 861 Ca -0.06 -1.69 0.00 0.00 0.71 0.00 0.00 52.55 51.51 1iwo s ASP 861 Cb 0.01 -1.36 0.00 0.00 1.01 0.00 0.00 42.92 42.58 1iwo s ASP 861 CO 0.18 -0.32 0.00 0.61 0.21 0.00 0.00 175.17 175.85 1iwo n GLY 862 N 4.50 -0.51 2.52 0.21 0.00 -1.26 -4.98 105.19 105.67 1iwo n GLY 862 Ca -0.04 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1iwo n GLY 862 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iwo n PRO 863 N 0.00 1.30 -0.94 1.61 -0.02 -1.26 -4.82 135.00 130.86 1iwo n PRO 863 Ca 0.00 -0.89 -0.11 0.00 -2.02 0.00 0.00 63.50 60.47 1iwo n PRO 863 Cb 0.00 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1iwo n PRO 863 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iwo n GLY 864 N 3.37 0.07 2.06 -1.23 0.00 -1.25 -4.67 105.19 103.55 1iwo n GLY 864 Ca 0.28 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1iwo n GLY 864 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1iwo n VAL 865 N 4.99 2.92 -0.88 1.61 0.24 0.32 -4.95 118.33 122.59 1iwo n VAL 865 Ca 0.14 -1.99 -0.37 0.00 -2.04 0.00 0.00 64.34 60.08 1iwo n VAL 865 Cb 0.36 -1.48 -0.06 0.00 -1.47 0.00 0.00 33.84 31.19 1iwo n VAL 865 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1iwo n THR 866 N 0.75 0.00 -3.25 3.34 -2.24 -1.22 0.13 114.28 111.78 1iwo n THR 866 Ca 0.35 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.91 1iwo n THR 866 Cb 0.59 -0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1iwo n THR 866 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iwo n TYR 867 N 3.30 -1.75 0.21 4.78 4.02 -1.26 -4.81 117.16 121.66 1iwo n TYR 867 Ca 0.25 0.41 0.12 0.00 -0.01 0.00 0.00 57.90 58.67 1iwo n TYR 867 Cb -0.03 -2.89 0.65 0.00 -0.02 0.00 0.00 39.34 37.04 1iwo n TYR 867 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1iwo h HIS 868 N -0.85 0.00 -1.76 -0.72 -0.00 0.61 -3.45 115.15 108.97 1iwo h HIS 868 Ca -0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.96 1iwo h HIS 868 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 1iwo h HIS 868 CO 0.68 0.00 -0.01 1.04 -0.00 0.00 0.00 177.93 179.63 1iwo n GLN 869 N -2.40 -0.13 0.19 5.26 1.13 -1.26 -4.94 117.38 115.22 1iwo n GLN 869 Ca -0.02 0.02 0.09 0.00 -1.94 0.00 0.00 57.00 55.15 1iwo n GLN 869 Cb 0.17 -2.56 0.62 0.00 0.11 0.00 0.00 30.24 28.57 1iwo n GLN 869 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1iwo h LEU 870 N -0.04 0.07 -2.35 1.08 3.38 -1.88 0.20 115.31 115.77 1iwo h LEU 870 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1iwo h LEU 870 Cb 1.01 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1iwo h LEU 870 CO 0.01 0.05 -0.03 0.74 0.09 0.00 0.00 178.44 179.29 1iwo h THR 871 N 0.08 0.50 0.23 0.22 2.02 -1.90 -2.68 112.91 111.38 1iwo h THR 871 Ca 0.06 -0.15 -0.30 0.00 0.77 0.00 0.00 66.41 66.78 1iwo h THR 871 Cb 0.13 1.10 0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1iwo h THR 871 CO -0.01 0.03 -1.34 0.45 0.37 0.00 0.00 175.52 175.03 1iwo h HIS 872 N 0.00 0.88 -2.23 3.16 3.86 -0.94 -3.42 115.15 116.46 1iwo h HIS 872 Ca -0.00 -0.64 0.18 0.00 -1.16 0.00 0.00 60.37 58.75 1iwo h HIS 872 Cb 0.10 -0.04 -0.10 0.00 1.06 0.00 0.00 27.41 28.43 1iwo h HIS 872 CO 0.00 1.51 0.52 -0.59 0.86 0.00 0.00 177.93 180.24 1iwo s PHE 873 N -2.56 -0.16 0.00 2.45 -0.12 -1.01 -4.95 117.98 111.64 1iwo s PHE 873 Ca -0.10 -0.10 0.11 0.00 -0.05 0.00 0.00 56.93 56.79 1iwo s PHE 873 Cb 0.03 0.61 0.19 0.00 -0.63 0.00 0.00 43.02 43.22 1iwo s PHE 873 CO 0.92 -0.72 1.05 -1.33 -0.05 0.00 0.00 175.22 175.08 1iwo n MET 874 N -0.43 0.00 0.00 1.99 2.81 -1.26 -4.65 117.12 115.58 1iwo n MET 874 Ca -0.07 -1.38 0.00 0.00 -1.81 0.00 0.00 57.70 54.44 1iwo n MET 874 Cb 0.61 0.19 0.00 0.00 -0.71 0.00 0.00 33.22 33.31 1iwo n MET 874 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1iwo n GLN 875 N 0.22 0.00 -0.81 0.03 6.02 -1.26 -4.87 117.38 116.71 1iwo n GLN 875 Ca -0.10 0.39 -0.02 0.00 -0.01 0.00 0.00 57.00 57.27 1iwo n GLN 875 Cb 0.89 -1.10 -0.01 0.00 1.02 0.00 0.00 30.24 31.04 1iwo n GLN 875 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iwo h THR 877 N 0.00 0.73 0.02 0.00 2.02 -2.04 -3.08 112.91 110.55 1iwo h THR 877 Ca -0.04 -1.37 -0.19 0.00 0.77 0.00 0.00 66.41 65.58 1iwo h THR 877 Cb 0.75 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1iwo h THR 877 CO 0.05 0.30 -1.05 -0.33 0.37 0.00 0.00 175.52 174.87 1iwo h GLU 878 N 0.00 0.03 0.00 6.66 5.08 -2.02 -3.47 114.58 120.86 1iwo h GLU 878 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1iwo h GLU 878 Cb 0.85 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1iwo h GLU 878 CO 0.04 1.03 0.00 -3.47 -1.00 0.00 0.00 179.01 175.61 1iwo n ASP 879 N -4.39 -1.46 0.07 1.42 2.03 -1.17 -4.80 116.55 108.25 1iwo n ASP 879 Ca -0.27 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 54.85 1iwo n ASP 879 Cb 0.67 -2.16 -0.15 0.00 -0.72 0.00 0.00 41.12 38.77 1iwo n ASP 879 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1iwo h HIS 880 N 0.00 0.58 0.00 -0.67 3.86 -1.91 -3.25 115.15 113.76 1iwo h HIS 880 Ca 0.00 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1iwo h HIS 880 Cb 0.21 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1iwo h HIS 880 CO 0.13 1.48 0.03 -1.00 0.86 0.00 0.00 177.93 179.43 1iwo h PRO 881 N 0.09 0.00 -3.59 2.45 0.13 -2.01 -3.14 132.00 125.93 1iwo h PRO 881 Ca -0.27 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.14 1iwo h PRO 881 Cb 2.05 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.86 1iwo h PRO 881 CO 0.18 0.00 -0.20 -1.58 -0.23 0.00 0.00 178.00 176.17 1iwo s HIS 882 N -3.74 3.56 0.00 1.56 5.65 -1.23 -5.03 115.29 116.07 1iwo s HIS 882 Ca -0.03 -2.59 0.00 0.00 0.25 0.00 0.00 55.06 52.69 1iwo s HIS 882 Cb 0.08 -3.36 0.00 0.00 -1.18 0.00 0.00 32.58 28.12 1iwo s HIS 882 CO 0.26 -0.86 0.24 1.19 -0.65 0.00 0.00 174.74 174.91 1iwo n PHE 883 N 3.43 0.00 -4.63 3.88 3.01 -1.19 -4.45 117.46 117.51 1iwo n PHE 883 Ca 0.11 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.24 1iwo n PHE 883 Cb 0.40 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.74 1iwo n PHE 883 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1iwo s GLU 884 N -0.99 3.30 0.00 -1.08 2.12 -1.26 -4.92 118.70 115.87 1iwo s GLU 884 Ca 0.00 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1iwo s GLU 884 Cb 0.00 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.69 1iwo s GLU 884 CO 0.00 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 1iwo n GLY 885 N 3.18 2.04 0.65 -1.50 0.00 -1.26 -5.04 105.19 103.26 1iwo n GLY 885 Ca -0.18 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.17 1iwo n GLY 885 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iwo n LEU 886 N 0.00 0.83 -3.66 0.99 4.77 -1.26 -5.06 117.00 113.61 1iwo n LEU 886 Ca 0.00 -1.80 -0.08 0.00 -0.03 0.00 0.00 56.01 54.10 1iwo n LEU 886 Cb 0.00 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1iwo n LEU 886 CO 0.00 0.47 0.26 -0.62 -1.33 0.00 0.00 177.39 176.17 1iwo s ASP 887 N -1.71 -0.80 0.00 -1.43 3.68 -1.26 -5.03 116.67 110.11 1iwo s ASP 887 Ca 0.16 1.32 0.00 0.00 2.13 0.00 0.00 52.55 56.15 1iwo s ASP 887 Cb 0.16 1.20 0.00 0.00 -1.45 0.00 0.00 42.92 42.83 1iwo s ASP 887 CO -0.04 -0.22 0.00 0.00 0.13 0.00 0.00 175.17 175.04 1iwo n GLU 889 N -0.59 0.00 -0.34 0.00 0.28 -1.26 -2.46 120.64 116.27 1iwo n GLU 889 Ca 0.00 0.20 0.26 0.00 -0.16 0.00 0.00 57.16 57.45 1iwo n GLU 889 Cb 0.05 -1.54 0.54 0.00 1.43 0.00 0.00 31.44 31.93 1iwo n GLU 889 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1iwo h ILE 890 N 0.00 0.45 -0.88 3.84 5.03 -2.03 -1.41 117.51 122.51 1iwo h ILE 890 Ca 0.00 -0.11 0.22 0.00 -0.12 0.00 0.00 64.86 64.85 1iwo h ILE 890 Cb 0.07 0.10 -0.16 0.00 -3.03 0.00 0.00 36.82 33.80 1iwo h ILE 890 CO 0.00 0.06 -0.05 0.49 -0.68 0.00 0.00 178.15 177.97 1iwo n PHE 891 N -4.62 0.49 0.40 1.37 3.01 -1.03 0.11 117.46 117.19 1iwo n PHE 891 Ca 0.27 1.06 0.00 0.00 1.01 0.00 0.00 57.45 59.79 1iwo n PHE 891 Cb 0.99 -1.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 1iwo n PHE 891 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1iwo n GLU 892 N -5.32 0.76 -2.22 -1.08 1.02 -0.53 -4.89 120.64 108.38 1iwo n GLU 892 Ca 0.19 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.94 1iwo n GLU 892 Cb 0.61 -1.12 -0.02 0.00 -0.02 0.00 0.00 31.44 30.89 1iwo n GLU 892 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iwo s ALA 893 N 0.32 3.24 -0.67 0.62 0.00 0.12 -4.95 121.76 120.43 1iwo s ALA 893 Ca 0.00 1.07 0.25 0.00 0.00 0.00 0.00 51.96 53.29 1iwo s ALA 893 Cb 0.00 -3.42 0.60 0.00 0.00 0.00 0.00 23.12 20.30 1iwo s ALA 893 CO 0.00 -0.60 1.59 -1.00 0.00 0.00 0.00 175.76 175.75 1iwo h PRO 894 N 2.83 0.00 -0.05 0.00 0.13 -1.90 -3.35 132.00 129.66 1iwo h PRO 894 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1iwo h PRO 894 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1iwo h PRO 894 CO 0.63 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 179.32 1iwo h GLU 895 N 0.00 0.10 -0.72 0.86 3.07 -1.89 -2.04 114.58 113.96 1iwo h GLU 895 Ca 0.00 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1iwo h GLU 895 Cb 0.76 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 1iwo h GLU 895 CO 0.00 0.46 0.35 -1.00 -1.40 0.00 0.00 179.01 177.42 1iwo h PRO 896 N -0.25 1.02 0.61 2.33 0.13 -1.89 -0.59 132.00 133.36 1iwo h PRO 896 Ca 0.01 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 1iwo h PRO 896 Cb 0.42 -0.19 0.01 0.00 0.13 0.00 0.00 31.00 31.37 1iwo h PRO 896 CO 0.01 0.78 -0.29 0.52 -0.23 0.00 0.00 178.00 178.78 1iwo h MET 897 N 1.01 -0.79 -0.13 0.86 2.86 -1.71 -1.49 114.93 115.53 1iwo h MET 897 Ca 0.25 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.98 1iwo h MET 897 Cb 0.09 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1iwo h MET 897 CO -0.03 -0.48 0.26 0.00 1.06 0.00 0.00 176.91 177.72 1iwo h THR 898 N -1.06 0.22 0.52 2.22 1.03 -1.28 0.67 112.91 115.22 1iwo h THR 898 Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.29 1iwo h THR 898 Cb 0.68 0.77 0.01 0.00 -1.07 0.00 0.00 68.15 68.53 1iwo h THR 898 CO 0.14 0.00 -0.25 0.24 -0.01 0.00 0.00 175.52 175.64 1iwo h MET 899 N 0.00 -0.67 -0.22 0.00 2.86 -0.43 -0.11 114.93 116.36 1iwo h MET 899 Ca 0.06 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1iwo h MET 899 Cb 0.59 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1iwo h MET 899 CO -0.00 -0.37 0.14 0.00 1.06 0.00 0.00 176.91 177.74 1iwo h ALA 900 N -0.85 0.28 -0.99 6.32 0.00 0.01 0.10 119.26 124.13 1iwo h ALA 900 Ca -0.07 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1iwo h ALA 900 Cb 0.61 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1iwo h ALA 900 CO 0.12 -0.25 0.63 1.25 0.00 0.00 0.00 179.25 181.00 1iwo h LEU 901 N 0.29 0.96 -0.51 0.00 5.85 0.21 0.47 115.31 122.58 1iwo h LEU 901 Ca 0.08 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 1iwo h LEU 901 Cb -0.03 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1iwo h LEU 901 CO -0.02 0.56 -0.60 0.28 -0.34 0.00 0.00 178.44 178.32 1iwo h SER 902 N 1.06 0.54 -0.05 1.25 0.02 -0.55 -2.13 113.55 113.69 1iwo h SER 902 Ca 0.46 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1iwo h SER 902 Cb 0.34 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1iwo h SER 902 CO -0.21 1.01 0.03 0.58 -1.14 0.00 0.00 176.83 177.10 1iwo h VAL 903 N 0.36 1.03 0.34 2.27 2.07 0.18 1.00 116.25 123.49 1iwo h VAL 903 Ca -0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1iwo h VAL 903 Cb 1.14 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1iwo h VAL 903 CO 0.11 0.02 -0.46 0.25 0.02 0.00 0.00 177.57 177.51 1iwo h LEU 904 N 0.05 -1.31 -0.56 2.57 5.85 -0.13 -0.69 115.31 121.09 1iwo h LEU 904 Ca 0.02 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1iwo h LEU 904 Cb 0.01 0.45 -0.10 0.00 0.37 0.00 0.00 40.66 41.39 1iwo h LEU 904 CO -0.00 -0.58 -0.12 0.58 -0.34 0.00 0.00 178.44 177.97 1iwo h VAL 905 N -0.85 0.45 0.06 1.05 2.07 -1.18 0.41 116.25 118.28 1iwo h VAL 905 Ca -0.03 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1iwo h VAL 905 Cb 0.78 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1iwo h VAL 905 CO -0.14 0.00 -0.18 0.74 0.02 0.00 0.00 177.57 178.01 1iwo h THR 906 N 0.01 0.58 -0.20 2.57 2.02 -0.38 -1.13 112.91 116.38 1iwo h THR 906 Ca 0.27 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.50 1iwo h THR 906 Cb 0.41 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1iwo h THR 906 CO -0.56 0.00 -0.17 0.40 0.37 0.00 0.00 175.52 175.56 1iwo h ILE 907 N -0.33 0.55 -0.74 3.11 2.04 -0.18 -2.39 117.51 119.57 1iwo h ILE 907 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1iwo h ILE 907 Cb 0.37 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1iwo h ILE 907 CO -0.13 0.00 0.38 -0.33 0.00 0.00 0.00 178.15 178.07 1iwo h GLU 908 N -0.17 1.05 -0.40 2.37 4.39 -0.77 0.68 114.58 121.73 1iwo h GLU 908 Ca 0.12 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1iwo h GLU 908 Cb 0.35 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1iwo h GLU 908 CO -0.30 0.80 0.26 0.52 -1.16 0.00 0.00 179.01 179.14 1iwo h MET 909 N 1.03 0.41 0.03 2.33 2.86 -0.92 0.44 114.93 121.11 1iwo h MET 909 Ca 0.26 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1iwo h MET 909 Cb 0.08 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1iwo h MET 909 CO -0.04 0.27 -0.01 0.00 1.06 0.00 0.00 176.91 178.19 1iwo h ASN 911 N -0.93 0.00 1.35 0.00 -1.24 0.88 2.22 115.58 117.86 1iwo h ASN 911 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1iwo h ASN 911 Cb 0.69 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.74 1iwo h ASN 911 CO 0.01 0.00 -0.04 0.00 -1.29 0.00 0.00 177.43 176.11 1iwo n ALA 912 N -1.84 2.34 0.10 1.57 0.00 0.15 -2.94 120.51 119.87 1iwo n ALA 912 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1iwo n ALA 912 Cb 0.17 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.07 1iwo n ALA 912 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iwo n LEU 913 N -2.11 0.39 -0.74 0.00 4.77 0.74 -3.74 117.00 116.31 1iwo n LEU 913 Ca 0.06 0.11 0.04 0.00 -0.03 0.00 0.00 56.01 56.19 1iwo n LEU 913 Cb 0.41 -0.03 0.14 0.00 -2.33 0.00 0.00 43.42 41.62 1iwo n LEU 913 CO 0.30 -0.06 0.57 0.59 -1.33 0.00 0.00 177.39 177.46 1iwo n ASN 914 N -2.38 2.08 -0.00 -1.43 3.02 -0.79 -3.71 115.26 112.05 1iwo n ASN 914 Ca -0.02 -2.14 0.04 0.00 -0.03 0.00 0.00 54.58 52.43 1iwo n ASN 914 Cb 0.55 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 1iwo n ASN 914 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1iwo n SER 915 N 0.33 2.40 0.00 6.41 7.64 -1.23 -4.57 113.62 124.60 1iwo n SER 915 Ca 0.10 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1iwo n SER 915 Cb 0.39 1.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.86 1iwo n SER 915 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1iwo n LEU 916 N -1.61 0.00 -3.63 -3.43 4.77 -1.24 -4.45 117.00 107.40 1iwo n LEU 916 Ca -0.01 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1iwo n LEU 916 Cb 0.18 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1iwo n LEU 916 CO 0.17 -0.10 1.04 -0.55 -1.33 0.00 0.00 177.39 176.62 1iwo s SER 917 N -1.96 -0.15 0.01 -1.43 0.15 -1.26 -5.01 113.70 104.04 1iwo s SER 917 Ca 0.00 0.24 -0.18 0.00 0.70 0.00 0.00 55.95 56.72 1iwo s SER 917 Cb 0.00 0.23 -0.10 0.00 -1.71 0.00 0.00 66.02 64.44 1iwo s SER 917 CO 0.00 -0.09 1.03 -0.08 1.20 0.00 0.00 173.24 175.30 1iwo h GLU 918 N 2.88 -0.62 -1.48 5.44 4.81 -1.88 -3.37 114.58 120.36 1iwo h GLU 918 Ca -0.20 0.04 -0.62 0.00 -0.13 0.00 0.00 59.36 58.45 1iwo h GLU 918 Cb 1.19 0.14 -0.39 0.00 0.63 0.00 0.00 28.75 30.32 1iwo h GLU 918 CO 0.20 -0.41 -0.33 0.09 -0.73 0.00 0.00 179.01 177.83 1iwo n ASN 919 N -4.12 5.41 -3.96 1.04 5.03 -1.26 -4.93 115.26 112.47 1iwo n ASN 919 Ca -0.08 -3.75 -0.23 0.00 0.87 0.00 0.00 54.58 51.39 1iwo n ASN 919 Cb 0.25 -0.58 -0.17 0.00 -1.02 0.00 0.00 39.78 38.27 1iwo n ASN 919 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1iwo s GLN 920 N -3.66 1.32 0.68 3.52 -1.52 -1.26 -4.68 119.66 114.04 1iwo s GLN 920 Ca 0.50 -0.27 -0.16 0.00 -1.95 0.00 0.00 55.36 53.48 1iwo s GLN 920 Cb 0.41 -1.18 0.01 0.00 -0.22 0.00 0.00 33.01 32.03 1iwo s GLN 920 CO -0.19 -0.04 1.17 -1.12 -0.25 0.00 0.00 175.29 174.86 1iwo s SER 921 N 0.86 4.71 0.12 5.90 0.01 -1.26 -4.78 113.70 119.26 1iwo s SER 921 Ca -0.12 2.25 0.16 0.00 1.31 0.00 0.00 55.95 59.55 1iwo s SER 921 Cb -0.15 -2.58 0.71 0.00 0.21 0.00 0.00 66.02 64.21 1iwo s SER 921 CO 0.01 -1.91 1.50 0.18 0.41 0.00 0.00 173.24 173.43 1iwo n LEU 922 N -2.36 0.28 0.22 2.44 4.32 -1.26 -1.00 117.00 119.63 1iwo n LEU 922 Ca 0.12 0.58 0.13 0.00 -0.02 0.00 0.00 56.01 56.83 1iwo n LEU 922 Cb 0.51 -0.56 0.34 0.00 -1.62 0.00 0.00 43.42 42.08 1iwo n LEU 922 CO 0.47 -0.46 0.87 0.24 -1.22 0.00 0.00 177.39 177.28 1iwo h MET 923 N 0.00 0.00 0.00 3.23 2.86 -1.98 -2.17 114.93 116.87 1iwo h MET 923 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1iwo h MET 923 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1iwo h MET 923 CO 0.00 0.00 -1.68 0.54 1.06 0.00 0.00 176.91 176.83 1iwo n ARG 924 N -2.95 1.04 -3.64 1.72 5.12 -0.93 -4.67 116.66 112.34 1iwo n ARG 924 Ca 0.03 -0.07 -0.31 0.00 -1.93 0.00 0.00 57.85 55.57 1iwo n ARG 924 Cb 0.45 -1.31 -0.09 0.00 -1.16 0.00 0.00 32.46 30.36 1iwo n ARG 924 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1iwo n MET 925 N -2.14 2.42 -1.74 5.56 1.56 -0.17 -5.04 117.12 117.57 1iwo n MET 925 Ca -0.09 -4.55 -0.42 0.00 -0.27 0.00 0.00 57.70 52.37 1iwo n MET 925 Cb 0.55 -2.33 -0.00 0.00 2.15 0.00 0.00 33.22 33.59 1iwo n MET 925 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1iwo n PRO 926 N 1.69 2.44 0.26 2.12 -0.02 -0.83 -4.22 135.00 136.45 1iwo n PRO 926 Ca 0.24 0.86 0.18 0.00 -2.02 0.00 0.00 63.50 62.75 1iwo n PRO 926 Cb 0.37 -2.53 0.92 0.00 -0.02 0.00 0.00 33.50 32.24 1iwo n PRO 926 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1iwo h PRO 927 N 2.89 0.00 -0.69 0.52 0.11 -1.93 -0.56 132.00 132.35 1iwo h PRO 927 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1iwo h PRO 927 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1iwo h PRO 927 CO 0.64 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.76 1iwo n TRP 928 N -3.48 0.59 0.06 0.65 2.14 -1.26 -3.32 117.44 112.83 1iwo n TRP 928 Ca -0.00 -0.22 -0.07 0.00 2.07 0.00 0.00 57.50 59.27 1iwo n TRP 928 Cb 0.27 -0.17 -0.12 0.00 -0.81 0.00 0.00 31.31 30.48 1iwo n TRP 928 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1iwo h VAL 929 N 1.37 1.71 -3.31 -1.67 2.07 -1.45 -3.37 116.25 111.59 1iwo h VAL 929 Ca 0.00 -3.42 -0.63 0.00 0.82 0.00 0.00 66.70 63.47 1iwo h VAL 929 Cb 0.81 2.85 -0.41 0.00 -1.52 0.00 0.00 31.29 33.02 1iwo h VAL 929 CO 0.12 0.98 -0.68 0.21 0.02 0.00 0.00 177.57 178.22 1iwo s ASN 930 N -6.72 4.19 0.11 0.57 3.84 -1.21 -4.69 114.94 111.04 1iwo s ASN 930 Ca 0.01 -2.70 -0.19 0.00 0.21 0.00 0.00 52.86 50.19 1iwo s ASN 930 Cb 0.10 -1.44 -0.06 0.00 -0.55 0.00 0.00 41.25 39.31 1iwo s ASN 930 CO 0.82 -0.27 1.69 0.40 -2.79 0.00 0.00 177.10 176.95 1iwo h ILE 931 N 5.66 1.14 -1.18 -5.21 1.08 -1.79 -2.01 117.51 115.19 1iwo h ILE 931 Ca -0.06 -0.39 0.34 0.00 -0.39 0.00 0.00 64.86 64.36 1iwo h ILE 931 Cb 0.93 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 35.55 1iwo h ILE 931 CO 0.60 0.14 0.91 -0.50 -0.69 0.00 0.00 178.15 178.60 1iwo h TRP 932 N 0.29 0.00 0.30 1.37 4.06 -1.93 0.40 115.95 120.44 1iwo h TRP 932 Ca 0.09 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.03 1iwo h TRP 932 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 1iwo h TRP 932 CO -0.02 0.00 -0.14 1.25 -3.56 0.00 0.00 178.44 175.96 1iwo h LEU 933 N 0.00 -0.34 -1.52 -4.49 5.85 -1.64 -1.05 115.31 112.12 1iwo h LEU 933 Ca 0.56 -0.12 0.17 0.00 0.84 0.00 0.00 57.88 59.33 1iwo h LEU 933 Cb 2.37 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 43.43 1iwo h LEU 933 CO -0.01 0.14 0.54 -0.07 -0.34 0.00 0.00 178.44 178.71 1iwo h LEU 934 N -1.03 0.43 0.30 2.25 3.38 -0.78 -0.66 115.31 119.20 1iwo h LEU 934 Ca -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1iwo h LEU 934 Cb 0.44 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1iwo h LEU 934 CO 0.07 0.21 -0.14 1.23 0.09 0.00 0.00 178.44 179.89 1iwo h GLY 935 N 0.45 -0.42 -0.45 0.83 0.00 -0.30 -2.96 103.07 100.22 1iwo h GLY 935 Ca 0.41 0.15 0.15 0.00 0.00 0.00 0.00 47.33 48.05 1iwo h GLY 935 CO -0.15 -0.15 -0.16 1.48 0.00 0.00 0.00 176.54 177.56 1iwo h SER 936 N -0.47 -0.64 -0.98 0.19 4.64 -0.85 0.24 113.55 115.67 1iwo h SER 936 Ca -0.04 0.22 0.33 0.00 -0.47 0.00 0.00 61.79 61.82 1iwo h SER 936 Cb 0.31 0.44 -0.18 0.00 -0.31 0.00 0.00 62.40 62.66 1iwo h SER 936 CO 0.07 -0.24 0.23 -0.38 -0.87 0.00 0.00 176.83 175.64 1iwo n ILE 937 N -5.47 -0.41 -0.03 0.95 5.41 -0.28 0.68 119.36 120.20 1iwo n ILE 937 Ca 0.10 2.10 -0.13 0.00 1.00 0.00 0.00 62.75 65.83 1iwo n ILE 937 Cb 0.38 -3.20 -0.08 0.00 -0.71 0.00 0.00 39.64 36.03 1iwo n ILE 937 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iwo h LEU 939 N -0.23 0.00 -0.17 0.00 5.85 0.42 0.07 115.31 121.26 1iwo h LEU 939 Ca 0.02 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1iwo h LEU 939 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1iwo h LEU 939 CO 0.01 0.04 -0.32 -1.28 -0.34 0.00 0.00 178.44 176.55 1iwo h SER 940 N 0.00 0.58 0.19 1.25 0.87 0.49 -2.85 113.55 114.08 1iwo h SER 940 Ca -0.00 -0.55 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 1iwo h SER 940 Cb 0.09 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1iwo h SER 940 CO 0.01 1.02 -0.09 0.24 -0.53 0.00 0.00 176.83 177.47 1iwo h MET 941 N 0.16 -0.25 -0.00 2.24 2.86 -0.22 -2.16 114.93 117.57 1iwo h MET 941 Ca 0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1iwo h MET 941 Cb 0.91 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 1iwo h MET 941 CO 0.07 0.13 0.03 0.66 1.06 0.00 0.00 176.91 178.86 1iwo h SER 942 N -0.68 0.00 0.01 1.22 4.64 -1.15 0.19 113.55 117.78 1iwo h SER 942 Ca -0.03 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.14 1iwo h SER 942 Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1iwo h SER 942 CO 0.04 0.00 -0.60 -0.07 -0.87 0.00 0.00 176.83 175.34 1iwo h LEU 943 N 0.00 0.51 -0.22 5.97 3.38 -1.38 0.09 115.31 123.66 1iwo h LEU 943 Ca 0.00 -0.77 0.05 0.00 0.09 0.00 0.00 57.88 57.25 1iwo h LEU 943 Cb 0.07 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1iwo h LEU 943 CO -0.00 1.22 -0.10 -0.74 0.09 0.00 0.00 178.44 178.90 1iwo h HIS 944 N -0.14 -0.25 -0.38 1.13 2.76 0.02 0.38 115.15 118.67 1iwo h HIS 944 Ca -0.08 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.06 1iwo h HIS 944 Cb 1.32 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.40 1iwo h HIS 944 CO 0.15 -0.16 0.00 0.74 -1.30 0.00 0.00 177.93 177.36 1iwo h PHE 945 N -0.08 0.62 -0.09 5.26 -1.00 -1.31 -2.14 116.94 118.21 1iwo h PHE 945 Ca 0.12 -0.07 0.03 0.00 2.81 0.00 0.00 57.97 60.85 1iwo h PHE 945 Cb 0.25 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 1iwo h PHE 945 CO -0.27 0.60 0.12 1.25 -1.61 0.00 0.00 178.31 178.40 1iwo h LEU 946 N 0.57 0.00 -3.74 1.54 5.85 0.11 0.63 115.31 120.27 1iwo h LEU 946 Ca 0.12 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 58.40 1iwo h LEU 946 Cb 0.36 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 41.14 1iwo h LEU 946 CO 0.01 0.00 0.25 2.30 -0.34 0.00 0.00 178.44 180.67 1iwo n ILE 947 N -3.64 2.99 0.00 4.05 -6.64 -0.63 -3.66 119.36 111.84 1iwo n ILE 947 Ca -0.01 -2.75 0.00 0.00 -1.77 0.00 0.00 62.75 58.22 1iwo n ILE 947 Cb 0.22 -0.66 0.00 0.00 -1.44 0.00 0.00 39.64 37.76 1iwo n ILE 947 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 1iwo n LEU 948 N -1.03 0.00 -0.01 7.28 4.32 0.17 -3.97 117.00 123.75 1iwo n LEU 948 Ca 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.47 1iwo n LEU 948 Cb 1.13 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.90 1iwo n LEU 948 CO 0.48 0.00 -0.59 -1.22 -1.22 0.00 0.00 177.39 174.83 1iwo n TYR 949 N -0.73 0.00 -1.88 -1.77 4.02 -0.97 -4.13 117.16 111.70 1iwo n TYR 949 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 1iwo n TYR 949 Cb 0.08 -0.14 -0.08 0.00 -0.02 0.00 0.00 39.34 39.18 1iwo n TYR 949 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1iwo s VAL 950 N -2.11 3.33 0.00 -0.72 1.01 -1.24 -4.83 120.40 115.84 1iwo s VAL 950 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1iwo s VAL 950 Cb 0.01 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1iwo s VAL 950 CO 0.13 -0.60 0.00 0.47 0.00 0.00 0.00 175.10 175.10 1iwo n ASP 951 N 16.54 0.00 0.00 3.32 8.00 -1.26 -1.78 116.55 141.38 1iwo n ASP 951 Ca 0.43 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.93 1iwo n ASP 951 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1iwo n ASP 951 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1iwo h PRO 952 N 0.00 -0.02 -0.70 -0.24 0.11 -1.97 -3.29 132.00 125.89 1iwo h PRO 952 Ca 0.00 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.22 1iwo h PRO 952 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 1iwo h PRO 952 CO 0.00 -0.01 -0.40 -0.07 -0.21 0.00 0.00 178.00 177.31 1iwo h LEU 953 N -0.02 -1.39 0.00 2.35 3.38 -1.68 0.68 115.31 118.63 1iwo h LEU 953 Ca -0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1iwo h LEU 953 Cb 0.02 0.67 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1iwo h LEU 953 CO -0.00 -0.31 0.04 -0.81 0.09 0.00 0.00 178.44 177.45 1iwo n PRO 954 N -5.42 0.00 -0.08 1.13 -0.04 -1.24 -1.43 135.00 127.92 1iwo n PRO 954 Ca 0.04 0.17 -0.15 0.00 -0.04 0.00 0.00 63.50 63.53 1iwo n PRO 954 Cb 0.36 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.17 1iwo n PRO 954 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1iwo h MET 955 N 0.00 0.00 -0.06 0.54 4.05 -0.92 -3.29 114.93 115.24 1iwo h MET 955 Ca 0.00 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.24 1iwo h MET 955 Cb 0.08 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1iwo h MET 955 CO 0.00 0.84 -0.73 -0.84 0.23 0.00 0.00 176.91 176.41 1iwo h ILE 956 N -1.00 1.39 0.00 1.77 3.07 -1.33 -3.40 117.51 118.02 1iwo h ILE 956 Ca -0.11 -2.18 0.00 0.00 1.55 0.00 0.00 64.86 64.11 1iwo h ILE 956 Cb 0.97 2.15 0.00 0.00 -0.27 0.00 0.00 36.82 39.67 1iwo h ILE 956 CO -0.07 0.65 0.00 0.49 -1.05 0.00 0.00 178.15 178.17 1iwo n PHE 957 N -3.82 0.00 -3.82 0.16 3.01 -1.01 -5.01 117.46 106.97 1iwo n PHE 957 Ca -0.04 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.36 1iwo n PHE 957 Cb 0.71 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 1iwo n PHE 957 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1iwo s LYS 958 N 0.00 1.70 0.78 -1.08 2.47 -1.24 -4.98 119.74 117.40 1iwo s LYS 958 Ca 0.00 -1.03 -0.12 0.00 -1.56 0.00 0.00 55.97 53.26 1iwo s LYS 958 Cb 0.00 0.52 0.06 0.00 -1.46 0.00 0.00 37.83 36.95 1iwo s LYS 958 CO 0.00 -0.79 1.11 -1.17 0.16 0.00 0.00 175.35 174.67 1iwo s LEU 959 N -3.09 2.61 0.00 5.43 2.96 -1.25 -4.51 118.68 120.83 1iwo s LEU 959 Ca 0.15 1.12 -0.04 0.00 -0.22 0.00 0.00 54.13 55.15 1iwo s LEU 959 Cb -0.04 -3.74 0.13 0.00 0.50 0.00 0.00 46.19 43.04 1iwo s LEU 959 CO 0.07 -1.82 0.87 2.29 -1.32 0.00 0.00 176.35 176.44 1iwo n LYS 960 N -3.32 -0.27 -4.03 1.98 2.85 -1.26 -4.68 118.16 109.43 1iwo n LYS 960 Ca 0.07 -2.02 -0.13 0.00 -1.05 0.00 0.00 58.31 55.18 1iwo n LYS 960 Cb 0.58 -0.69 -0.13 0.00 -0.65 0.00 0.00 35.03 34.14 1iwo n LYS 960 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iwo s ALA 961 N -3.35 0.32 0.20 0.58 0.00 -1.26 -4.86 121.76 113.39 1iwo s ALA 961 Ca 0.55 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 1iwo s ALA 961 Cb -0.03 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.03 1iwo s ALA 961 CO 0.37 -0.01 0.60 -0.51 0.00 0.00 0.00 175.76 176.21 1iwo s LEU 962 N -0.81 4.27 0.52 0.00 1.43 -1.26 -4.94 118.68 117.89 1iwo s LEU 962 Ca -0.06 1.12 0.33 0.00 -1.03 0.00 0.00 54.13 54.50 1iwo s LEU 962 Cb -0.06 -3.51 1.82 0.00 0.03 0.00 0.00 46.19 44.47 1iwo s LEU 962 CO -0.00 0.02 2.02 0.44 0.23 0.00 0.00 176.35 179.05 1iwo h ASP 963 N 3.16 0.00 -0.32 2.29 3.32 -2.01 -3.15 116.42 119.71 1iwo h ASP 963 Ca -0.48 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 1iwo h ASP 963 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1iwo h ASP 963 CO 0.66 0.00 0.21 -0.11 -1.72 0.00 0.00 179.24 178.28 1iwo n LEU 964 N -2.70 1.51 -0.76 1.55 7.94 -1.26 -3.67 117.00 119.61 1iwo n LEU 964 Ca -0.02 -1.40 -0.00 0.00 -1.11 0.00 0.00 56.01 53.47 1iwo n LEU 964 Cb 0.09 -1.56 -0.00 0.00 0.53 0.00 0.00 43.42 42.48 1iwo n LEU 964 CO 0.15 -2.53 -0.00 1.07 -1.11 0.00 0.00 177.39 174.97 1iwo n THR 965 N 8.50 0.00 -0.04 1.96 5.66 -1.26 -4.70 114.28 124.40 1iwo n THR 965 Ca 0.49 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.47 1iwo n THR 965 Cb 0.40 -0.05 -0.01 0.00 -1.55 0.00 0.00 70.33 69.13 1iwo n THR 965 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1iwo h GLN 966 N 0.00 0.00 -0.97 1.09 5.75 -1.62 -3.36 115.11 116.00 1iwo h GLN 966 Ca -0.01 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.63 1iwo h GLN 966 Cb 0.03 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.50 1iwo h GLN 966 CO 0.01 0.00 0.61 -1.49 -2.65 0.00 0.00 178.83 175.32 1iwo h TRP 967 N -0.65 1.03 -0.97 3.99 4.06 -1.79 -0.83 115.95 120.79 1iwo h TRP 967 Ca 0.00 0.03 0.21 0.00 2.06 0.00 0.00 58.89 61.19 1iwo h TRP 967 Cb 0.22 -0.33 -0.09 0.00 -1.00 0.00 0.00 29.16 27.97 1iwo h TRP 967 CO -0.09 0.38 0.62 -0.07 -3.56 0.00 0.00 178.44 175.72 1iwo h LEU 968 N 0.87 0.55 -0.01 -4.49 4.07 -1.85 0.64 115.31 115.10 1iwo h LEU 968 Ca 0.49 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.52 1iwo h LEU 968 Cb 0.61 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 1iwo h LEU 968 CO -0.26 0.19 0.00 -0.03 -1.08 0.00 0.00 178.44 177.26 1iwo h MET 969 N 0.53 0.01 -0.28 1.13 4.05 -1.30 0.92 114.93 120.00 1iwo h MET 969 Ca 0.53 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.98 1iwo h MET 969 Cb 1.15 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.90 1iwo h MET 969 CO -0.27 0.21 -0.29 0.28 0.23 0.00 0.00 176.91 177.07 1iwo h VAL 970 N -0.20 0.00 -0.22 -5.77 2.07 0.23 0.29 116.25 112.65 1iwo h VAL 970 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1iwo h VAL 970 Cb 0.21 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.92 1iwo h VAL 970 CO -0.00 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.37 1iwo h LEU 971 N -0.16 -0.47 0.00 2.57 3.38 -0.64 0.20 115.31 120.19 1iwo h LEU 971 Ca 0.05 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1iwo h LEU 971 Cb 0.28 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iwo h LEU 971 CO -0.34 -0.18 0.00 1.17 0.09 0.00 0.00 178.44 179.17 1iwo n LYS 972 N -5.31 0.17 -0.00 1.13 0.00 0.31 -1.46 118.16 113.01 1iwo n LYS 972 Ca -0.01 0.17 0.04 0.00 0.00 0.00 0.00 58.31 58.51 1iwo n LYS 972 Cb 0.22 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.70 1iwo n LYS 972 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1iwo n ILE 973 N -1.27 0.00 0.00 3.15 0.00 0.96 -4.81 119.36 117.39 1iwo n ILE 973 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 62.75 62.52 1iwo n ILE 973 Cb 0.09 0.88 0.00 0.00 0.00 0.00 0.00 39.64 40.60 1iwo n ILE 973 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1iwo n SER 974 N -1.31 0.00 -0.03 9.51 7.64 0.50 -4.78 113.62 125.15 1iwo n SER 974 Ca 0.01 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.90 1iwo n SER 974 Cb 0.15 -0.18 0.03 0.00 -1.01 0.00 0.00 64.21 63.20 1iwo n SER 974 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1iwo n LEU 975 N -1.98 -0.01 0.09 -3.43 7.99 -0.75 -0.00 117.00 118.92 1iwo n LEU 975 Ca 0.00 0.15 0.19 0.00 -0.01 0.00 0.00 56.01 56.34 1iwo n LEU 975 Cb 0.00 -0.06 0.59 0.00 -0.11 0.00 0.00 43.42 43.85 1iwo n LEU 975 CO 0.00 -0.15 1.17 -0.65 -1.51 0.00 0.00 177.39 176.24 1iwo h PRO 976 N 0.00 0.00 -0.73 3.23 0.11 -1.86 0.23 132.00 132.98 1iwo h PRO 976 Ca 0.06 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.30 1iwo h PRO 976 Cb 0.12 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.14 1iwo h PRO 976 CO -0.08 0.00 0.29 -0.24 -0.21 0.00 0.00 178.00 177.76 1iwo h VAL 977 N 0.00 0.69 -0.56 3.15 3.04 -0.77 0.15 116.25 121.95 1iwo h VAL 977 Ca 0.21 -0.15 0.09 0.00 -1.01 0.00 0.00 66.70 65.83 1iwo h VAL 977 Cb 1.58 0.20 -0.07 0.00 -2.01 0.00 0.00 31.29 31.00 1iwo h VAL 977 CO -0.00 0.08 0.18 0.40 -1.01 0.00 0.00 177.57 177.22 1iwo h ILE 978 N 0.45 0.76 0.39 3.17 2.04 -1.18 0.54 117.51 123.68 1iwo h ILE 978 Ca 0.39 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1iwo h ILE 978 Cb 0.56 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1iwo h ILE 978 CO -0.38 0.06 -0.36 1.23 0.00 0.00 0.00 178.15 178.70 1iwo h GLY 979 N 0.35 -0.86 -0.33 5.37 0.00 -0.89 0.35 103.07 107.04 1iwo h GLY 979 Ca 0.28 0.41 0.17 0.00 0.00 0.00 0.00 47.33 48.19 1iwo h GLY 979 CO -0.30 -0.31 -0.00 -2.00 0.00 0.00 0.00 176.54 173.93 1iwo h LEU 980 N -0.77 -0.35 0.00 3.11 5.85 0.27 0.24 115.31 123.66 1iwo h LEU 980 Ca -0.03 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1iwo h LEU 980 Cb 0.68 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1iwo h LEU 980 CO -0.04 -0.17 0.00 -0.67 -0.34 0.00 0.00 178.44 177.21 1iwo n ASP 981 N -5.34 0.00 -0.14 1.25 2.03 0.17 -1.29 116.55 113.23 1iwo n ASP 981 Ca 0.13 0.22 0.08 0.00 0.52 0.00 0.00 54.79 55.75 1iwo n ASP 981 Cb 0.46 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.01 1iwo n ASP 981 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1iwo n GLU 982 N -0.25 -0.03 0.15 -0.67 4.07 0.12 0.21 120.64 124.23 1iwo n GLU 982 Ca 0.00 0.61 -0.07 0.00 -0.06 0.00 0.00 57.16 57.64 1iwo n GLU 982 Cb 0.00 -1.00 -0.03 0.00 -0.06 0.00 0.00 31.44 30.34 1iwo n GLU 982 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1iwo h ILE 983 N 0.00 0.00 0.00 6.31 1.08 -0.46 -1.93 117.51 122.51 1iwo h ILE 983 Ca 0.28 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.73 1iwo h ILE 983 Cb 0.63 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.38 1iwo h ILE 983 CO -0.37 0.00 -0.07 -0.07 -0.69 0.00 0.00 178.15 176.94 1iwo h LEU 984 N -0.42 0.00 0.79 1.44 3.38 0.32 -2.71 115.31 118.11 1iwo h LEU 984 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1iwo h LEU 984 Cb 0.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1iwo h LEU 984 CO 0.04 0.07 -0.38 0.50 0.09 0.00 0.00 178.44 178.77 1iwo h LYS 985 N 0.00 -1.02 -1.02 1.13 3.64 0.27 -3.05 116.57 116.52 1iwo h LYS 985 Ca -0.00 0.07 -0.48 0.00 -1.27 0.00 0.00 60.65 58.97 1iwo h LYS 985 Cb 0.15 0.23 -0.27 0.00 -0.41 0.00 0.00 32.23 31.94 1iwo h LYS 985 CO 0.01 -0.67 0.61 1.19 -2.27 0.00 0.00 179.45 178.32 1iwo n PHE 986 N -5.52 2.71 0.74 1.91 0.99 -0.75 -4.05 117.46 113.50 1iwo n PHE 986 Ca -0.14 -1.87 0.06 0.00 -0.00 0.00 0.00 57.45 55.50 1iwo n PHE 986 Cb 0.43 -0.94 0.17 0.00 -1.00 0.00 0.00 39.48 38.14 1iwo n PHE 986 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 1iwo n ILE 987 N -0.89 0.56 0.58 4.37 3.06 -1.03 -3.74 119.36 122.29 1iwo n ILE 987 Ca 0.53 -0.52 0.12 0.00 -2.50 0.00 0.00 62.75 60.38 1iwo n ILE 987 Cb 1.38 0.22 0.26 0.00 0.54 0.00 0.00 39.64 42.04 1iwo n ILE 987 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1iwo n ALA 988 N 0.60 2.66 -0.25 1.51 0.00 -1.26 -3.72 120.51 120.04 1iwo n ALA 988 Ca 0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 1iwo n ALA 988 Cb 0.35 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.55 1iwo n ALA 988 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwo h ARG 989 N 0.00 0.97 -0.54 0.00 3.08 -1.84 -1.07 114.38 114.98 1iwo h ARG 989 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1iwo h ARG 989 Cb 0.75 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1iwo h ARG 989 CO 0.00 0.71 0.00 0.09 -1.07 0.00 0.00 179.97 179.70 1iwo n ASN 990 N -4.51 0.54 -0.25 7.04 3.02 -1.24 -2.61 115.26 117.24 1iwo n ASN 990 Ca 0.06 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 1iwo n ASN 990 Cb 0.08 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1iwo n ASN 990 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iwo n TYR 991 N -0.05 0.00 -3.41 3.10 9.36 -0.44 -5.08 117.16 120.63 1iwo n TYR 991 Ca 0.00 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.99 1iwo n TYR 991 Cb 0.13 0.02 0.02 0.00 -0.63 0.00 0.00 39.34 38.88 1iwo n TYR 991 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1iwo n LEU 992 N 0.00 -3.97 -3.65 2.98 4.77 -0.99 -5.03 117.00 111.12 1iwo n LEU 992 Ca 0.00 -0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 55.60 1iwo n LEU 992 Cb 0.58 -2.20 -0.08 0.00 -2.33 0.00 0.00 43.42 39.39 1iwo n LEU 992 CO 0.00 -0.49 0.34 -0.70 -1.33 0.00 0.00 177.39 175.21 1iwo s GLU 993 N -3.34 0.73 0.00 3.23 2.12 -1.22 -5.08 118.70 115.14 1iwo s GLU 993 Ca 0.18 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.55 1iwo s GLU 993 Cb -0.03 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1iwo s GLU 993 CO 0.84 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.86