#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9m n TRP 46 N 0.00 0.15 -4.50 -0.14 2.14 -1.26 -4.94 117.44 108.90 3i9m n TRP 46 Ca 0.00 -0.10 -0.31 0.00 2.07 0.00 0.00 57.50 59.16 3i9m n TRP 46 Cb 0.00 -0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.38 3i9m n TRP 46 CO 0.00 0.00 0.00 1.03 2.07 0.00 0.00 177.69 180.79 3i9m s ARG 47 N -1.40 2.20 0.09 -2.67 0.52 -1.26 -5.13 118.95 111.31 3i9m s ARG 47 Ca 0.24 -0.93 0.08 0.00 -0.52 0.00 0.00 55.73 54.60 3i9m s ARG 47 Cb 0.16 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 3i9m s ARG 47 CO 0.23 0.55 -0.18 -0.65 0.02 0.00 0.00 175.30 175.27 3i9m s GLN 48 N -1.63 1.88 0.16 3.54 -0.21 -1.26 -5.05 119.66 117.08 3i9m s GLN 48 Ca 0.17 -1.12 -0.04 0.00 0.02 0.00 0.00 55.36 54.39 3i9m s GLN 48 Cb -0.11 -2.14 -0.00 0.00 1.00 0.00 0.00 33.01 31.76 3i9m s GLN 48 CO 0.08 0.50 1.40 1.15 -2.12 0.00 0.00 175.29 176.29 3i9m h THR 49 N 3.65 1.36 -1.80 -0.19 2.02 -1.96 -3.47 112.91 112.51 3i9m h THR 49 Ca -0.49 -2.13 -0.62 0.00 0.77 0.00 0.00 66.41 63.94 3i9m h THR 49 Cb 1.16 2.11 -0.13 0.00 -1.74 0.00 0.00 68.15 69.55 3i9m h THR 49 CO 0.47 0.65 -0.64 0.26 0.37 0.00 0.00 175.52 176.63 3i9m s TRP 50 N -3.62 2.46 -0.15 3.16 0.52 -1.26 -5.05 118.94 114.99 3i9m s TRP 50 Ca -0.07 -0.60 0.20 0.00 0.02 0.00 0.00 56.10 55.65 3i9m s TRP 50 Cb 0.10 -1.59 -0.12 0.00 -1.15 0.00 0.00 33.47 30.71 3i9m s TRP 50 CO 0.86 0.51 0.81 0.43 0.02 0.00 0.00 176.95 179.57 3i9m n SER 51 N -0.89 0.69 -4.97 2.95 7.64 -1.26 -4.71 113.62 113.08 3i9m n SER 51 Ca -0.05 0.29 -0.20 0.00 1.01 0.00 0.00 58.87 59.92 3i9m n SER 51 Cb 0.65 0.56 0.03 0.00 -1.01 0.00 0.00 64.21 64.44 3i9m n SER 51 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3i9m s GLY 52 N -4.65 1.86 0.60 0.23 0.00 -0.33 -4.85 107.32 100.18 3i9m s GLY 52 Ca -0.03 -1.53 -0.19 0.00 0.00 0.00 0.00 44.72 42.97 3i9m s GLY 52 CO 0.82 -1.26 1.07 -1.05 0.00 0.00 0.00 173.10 172.68 3i9m n PRO 53 N -2.18 1.03 -1.07 2.90 -0.02 -1.26 -1.69 135.00 132.72 3i9m n PRO 53 Ca 0.09 0.40 -0.17 0.00 -2.02 0.00 0.00 63.50 61.80 3i9m n PRO 53 Cb 0.60 -2.27 0.12 0.00 -0.02 0.00 0.00 33.50 31.92 3i9m n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9m n GLY 54 N 1.16 -1.35 3.74 -1.23 0.00 -1.24 -1.59 105.19 104.67 3i9m n GLY 54 Ca 0.14 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3i9m n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9m n THR 55 N -3.04 0.78 -1.62 2.61 -1.04 -0.37 -4.64 114.28 106.96 3i9m n THR 55 Ca 0.09 -0.20 -0.46 0.00 -2.04 0.00 0.00 64.05 61.45 3i9m n THR 55 Cb 0.33 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 66.85 3i9m n THR 55 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3i9m n THR 56 N 2.56 1.23 -1.73 12.58 -1.04 -0.42 -4.69 114.28 122.76 3i9m n THR 56 Ca 0.10 -0.31 -0.41 0.00 -2.04 0.00 0.00 64.05 61.40 3i9m n THR 56 Cb 0.36 -1.14 0.01 0.00 -1.82 0.00 0.00 70.33 67.74 3i9m n THR 56 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3i9m n LYS 57 N 1.54 2.21 -2.56 -2.82 2.85 -1.26 -2.04 118.16 116.08 3i9m n LYS 57 Ca 0.12 0.78 -0.19 0.00 -1.05 0.00 0.00 58.31 57.97 3i9m n LYS 57 Cb 0.29 -2.48 0.01 0.00 -0.65 0.00 0.00 35.03 32.19 3i9m n LYS 57 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3i9m n ARG 58 N 0.20 -2.54 -0.11 -1.58 1.74 -1.26 -4.89 116.66 108.23 3i9m n ARG 58 Ca 0.05 0.88 -0.05 0.00 -0.77 0.00 0.00 57.85 57.95 3i9m n ARG 58 Cb 0.39 -5.47 0.01 0.00 -1.02 0.00 0.00 32.46 26.37 3i9m n ARG 58 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3i9m h PHE 59 N -0.44 -0.43 -0.42 -1.55 3.57 -1.78 0.70 116.94 116.58 3i9m h PHE 59 Ca -0.46 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.14 3i9m h PHE 59 Cb 1.33 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 40.27 3i9m h PHE 59 CO 0.49 -0.26 0.13 -1.35 -2.23 0.00 0.00 178.31 175.09 3i9m h PRO 60 N -0.10 0.28 -0.71 6.41 0.11 -1.91 0.25 132.00 136.33 3i9m h PRO 60 Ca 0.19 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 3i9m h PRO 60 Cb 0.40 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 3i9m h PRO 60 CO -0.46 0.18 0.30 0.93 -0.21 0.00 0.00 178.00 178.75 3i9m h GLU 61 N 0.28 1.05 0.03 1.05 3.07 -1.80 -1.76 114.58 116.49 3i9m h GLU 61 Ca 0.20 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3i9m h GLU 61 Cb 0.21 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3i9m h GLU 61 CO -0.22 0.85 -0.01 1.15 -1.40 0.00 0.00 179.01 179.38 3i9m h THR 62 N 1.01 1.09 -0.35 1.13 2.02 -0.39 -0.75 112.91 116.67 3i9m h THR 62 Ca 0.24 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3i9m h THR 62 Cb 0.18 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3i9m h THR 62 CO -0.02 0.09 0.18 0.58 0.37 0.00 0.00 175.52 176.72 3i9m h VAL 63 N -0.19 1.15 -0.24 3.16 2.07 -0.85 -1.22 116.25 120.14 3i9m h VAL 63 Ca -0.00 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3i9m h VAL 63 Cb 0.18 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3i9m h VAL 63 CO 0.01 0.16 0.13 0.25 0.02 0.00 0.00 177.57 178.14 3i9m h LEU 64 N 0.43 0.22 -1.01 2.57 5.85 -1.24 0.01 115.31 122.15 3i9m h LEU 64 Ca 0.12 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3i9m h LEU 64 Cb 0.09 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3i9m h LEU 64 CO -0.02 0.16 0.65 0.00 -0.34 0.00 0.00 178.44 178.89 3i9m h ALA 65 N 1.11 1.27 -0.77 1.25 0.00 -1.02 0.09 119.26 121.19 3i9m h ALA 65 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i9m h ALA 65 Cb -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3i9m h ALA 65 CO -0.05 0.66 0.35 0.00 0.00 0.00 0.00 179.25 180.22 3i9m h ARG 66 N 1.35 1.12 -0.40 0.00 3.08 -0.84 0.36 114.38 119.05 3i9m h ARG 66 Ca 0.36 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3i9m h ARG 66 Cb -0.14 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.70 3i9m h ARG 66 CO -0.08 0.89 0.12 0.00 -1.07 0.00 0.00 179.97 179.83 3i9m h VAL 68 N 0.50 1.18 -0.72 0.00 2.07 -0.60 -2.00 116.25 116.68 3i9m h VAL 68 Ca 0.13 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3i9m h VAL 68 Cb 0.27 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3i9m h VAL 68 CO -0.00 0.18 0.30 0.50 0.02 0.00 0.00 177.57 178.57 3i9m h LYS 69 N 0.31 1.08 -0.24 1.57 3.64 -0.13 -2.26 116.57 120.54 3i9m h LYS 69 Ca 0.09 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3i9m h LYS 69 Cb 0.18 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3i9m h LYS 69 CO -0.01 0.88 0.07 -0.92 -2.27 0.00 0.00 179.45 177.21 3i9m h TYR 70 N 1.04 0.13 -0.04 1.91 3.20 -0.23 -1.69 116.97 121.28 3i9m h TYR 70 Ca 0.24 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 3i9m h TYR 70 Cb 0.20 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3i9m h TYR 70 CO 0.02 0.06 -0.47 1.79 -1.64 0.00 0.00 178.16 177.92 3i9m h THR 71 N 0.18 1.34 -0.09 1.81 1.35 -1.29 0.29 112.91 116.49 3i9m h THR 71 Ca 0.10 -1.64 -0.00 0.00 -0.55 0.00 0.00 66.41 64.32 3i9m h THR 71 Cb 0.08 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3i9m h THR 71 CO -0.11 0.48 0.05 -0.33 -0.25 0.00 0.00 175.52 175.35 3i9m h GLU 72 N 0.08 0.13 -0.61 4.72 5.08 -1.18 -3.17 114.58 119.63 3i9m h GLU 72 Ca 0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3i9m h GLU 72 Cb 0.86 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3i9m h GLU 72 CO 0.07 0.20 0.01 0.82 -1.00 0.00 0.00 179.01 179.11 3i9m h ILE 73 N 0.04 1.26 -3.32 3.13 2.04 -0.99 -3.39 117.51 116.28 3i9m h ILE 73 Ca 0.03 -1.14 -0.66 0.00 1.00 0.00 0.00 64.86 64.10 3i9m h ILE 73 Cb 0.11 0.78 -0.39 0.00 -0.74 0.00 0.00 36.82 36.58 3i9m h ILE 73 CO -0.00 0.42 -0.46 -1.00 0.00 0.00 0.00 178.15 177.10 3i9m s HIS 74 N -5.04 3.47 0.61 1.37 3.76 0.99 -4.96 115.29 115.48 3i9m s HIS 74 Ca -0.12 -3.10 0.31 0.00 -0.15 0.00 0.00 55.06 52.00 3i9m s HIS 74 Cb 0.14 -2.95 1.74 0.00 1.11 0.00 0.00 32.58 32.62 3i9m s HIS 74 CO 0.86 -0.70 2.11 -1.35 -0.85 0.00 0.00 174.74 174.80 3i9m h PRO 75 N 6.20 0.00 0.00 8.40 0.11 -1.77 -0.74 132.00 144.20 3i9m h PRO 75 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3i9m h PRO 75 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3i9m h PRO 75 CO 0.73 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.67 3i9m n GLU 76 N -3.62 0.12 -0.26 1.05 0.00 -1.26 -2.19 120.64 114.47 3i9m n GLU 76 Ca 0.01 0.19 0.06 0.00 0.00 0.00 0.00 57.16 57.42 3i9m n GLU 76 Cb 0.31 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.43 3i9m n GLU 76 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3i9m n MET 77 N -1.39 2.88 0.01 3.44 2.81 -0.28 -4.65 117.12 119.94 3i9m n MET 77 Ca 0.06 -2.32 0.09 0.00 -1.81 0.00 0.00 57.70 53.72 3i9m n MET 77 Cb 0.15 -1.47 0.39 0.00 -0.71 0.00 0.00 33.22 31.58 3i9m n MET 77 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3i9m n ARG 78 N 0.08 0.02 0.00 0.03 1.74 -0.93 -2.35 116.66 115.25 3i9m n ARG 78 Ca 0.15 0.21 0.05 0.00 -0.77 0.00 0.00 57.85 57.48 3i9m n ARG 78 Cb 0.59 -1.53 0.26 0.00 -1.02 0.00 0.00 32.46 30.75 3i9m n ARG 78 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 3i9m n HIS 79 N -1.56 0.00 -2.90 -1.55 1.44 -1.26 -4.75 115.22 104.63 3i9m n HIS 79 Ca 0.04 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.35 3i9m n HIS 79 Cb 0.22 -0.36 -0.05 0.00 0.12 0.00 0.00 29.99 29.91 3i9m n HIS 79 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3i9m s VAL 80 N -2.72 4.47 -0.40 0.61 1.01 -0.99 -5.04 120.40 117.34 3i9m s VAL 80 Ca 0.08 1.81 -0.18 0.00 0.00 0.00 0.00 61.98 63.69 3i9m s VAL 80 Cb 0.07 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.27 3i9m s VAL 80 CO 0.17 0.43 0.51 -0.62 0.00 0.00 0.00 175.10 175.59 3i9m s ASP 81 N -0.56 6.26 0.30 3.32 2.15 -1.26 -4.96 116.67 121.91 3i9m s ASP 81 Ca 0.40 -0.37 0.01 0.00 0.43 0.00 0.00 52.55 53.02 3i9m s ASP 81 Cb -0.23 -2.26 0.47 0.00 -0.30 0.00 0.00 42.92 40.60 3i9m s ASP 81 CO 0.27 -0.59 1.83 0.00 -0.17 0.00 0.00 175.17 176.51 3i9m h GLN 83 N 0.65 0.90 -0.77 0.00 5.75 -1.94 -0.66 115.11 119.03 3i9m h GLN 83 Ca 0.14 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3i9m h GLN 83 Cb 0.36 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 3i9m h GLN 83 CO 0.01 0.73 0.31 0.77 -2.65 0.00 0.00 178.83 178.00 3i9m h SER 84 N 0.85 1.07 -0.05 -0.69 0.02 -1.81 -0.27 113.55 112.68 3i9m h SER 84 Ca 0.21 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3i9m h SER 84 Cb 0.14 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3i9m h SER 84 CO -0.02 0.95 -0.11 0.58 -1.14 0.00 0.00 176.83 177.09 3i9m h VAL 85 N 1.12 0.71 -0.37 2.27 2.07 -0.73 -1.00 116.25 120.32 3i9m h VAL 85 Ca 0.26 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.80 3i9m h VAL 85 Cb 0.22 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3i9m h VAL 85 CO -0.02 0.00 0.19 -0.25 0.02 0.00 0.00 177.57 177.51 3i9m h TRP 86 N -0.16 0.36 -0.85 1.57 2.91 -0.93 -0.75 115.95 118.10 3i9m h TRP 86 Ca 0.06 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.20 3i9m h TRP 86 Cb 0.24 -0.11 -0.08 0.00 -0.51 0.00 0.00 29.16 28.71 3i9m h TRP 86 CO -0.19 0.19 0.48 -0.44 -1.03 0.00 0.00 178.44 177.45 3i9m h ASP 87 N 0.39 0.68 -0.13 2.65 3.32 -0.86 0.25 116.42 122.71 3i9m h ASP 87 Ca 0.15 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 3i9m h ASP 87 Cb 0.05 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3i9m h ASP 87 CO -0.10 0.37 -0.36 0.00 -1.72 0.00 0.00 179.24 177.44 3i9m h ALA 88 N 1.48 0.84 0.17 3.45 0.00 -0.78 -0.07 119.26 124.34 3i9m h ALA 88 Ca 0.42 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i9m h ALA 88 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i9m h ALA 88 CO -0.27 0.64 -0.08 0.35 0.00 0.00 0.00 179.25 179.89 3i9m h PHE 89 N 0.54 -0.21 -0.96 0.00 3.04 -0.30 -2.79 116.94 116.27 3i9m h PHE 89 Ca 0.05 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 3i9m h PHE 89 Cb 0.87 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.40 3i9m h PHE 89 CO 0.04 0.15 0.59 -0.22 -2.02 0.00 0.00 178.31 176.85 3i9m h LYS 90 N -0.61 1.29 -0.89 1.11 3.64 -0.50 -1.89 116.57 118.72 3i9m h LYS 90 Ca -0.02 -0.11 0.24 0.00 -1.27 0.00 0.00 60.65 59.49 3i9m h LYS 90 Cb 0.45 -0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 3i9m h LYS 90 CO 0.04 0.89 0.63 0.78 -2.27 0.00 0.00 179.45 179.51 3i9m h GLY 91 N 1.31 0.28 2.00 5.01 0.00 -0.90 0.12 103.07 110.89 3i9m h GLY 91 Ca 0.35 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.53 3i9m h GLY 91 CO -0.07 -0.01 -0.43 0.00 0.00 0.00 0.00 176.54 176.03 3i9m h ALA 92 N 1.58 1.23 0.00 3.60 0.00 -1.06 -3.38 119.26 121.23 3i9m h ALA 92 Ca 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i9m h ALA 92 Cb 1.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3i9m h ALA 92 CO -0.06 0.54 -0.40 1.97 0.00 0.00 0.00 179.25 181.30 3i9m n PHE 93 N -3.95 0.00 -2.06 0.00 1.16 -0.88 -4.78 117.46 106.96 3i9m n PHE 93 Ca -0.02 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.16 3i9m n PHE 93 Cb 0.47 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.32 3i9m n PHE 93 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3i9m s ILE 94 N -0.81 2.66 0.00 1.97 -1.09 0.36 -2.53 121.20 121.76 3i9m s ILE 94 Ca 0.00 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 3i9m s ILE 94 Cb 0.00 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 3i9m s ILE 94 CO 0.00 0.13 0.00 -1.20 -1.23 0.00 0.00 174.94 172.64 3i9m n SER 95 N 1.31 0.00 -4.91 3.58 7.64 -1.16 -4.94 113.62 115.15 3i9m n SER 95 Ca 0.02 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.59 3i9m n SER 95 Cb 0.41 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 3i9m n SER 95 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3i9m s LYS 96 N -0.19 3.53 0.05 1.43 1.02 -1.05 -0.74 119.74 123.79 3i9m s LYS 96 Ca 0.00 -0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.43 3i9m s LYS 96 Cb 0.00 -2.95 -0.07 0.00 -0.52 0.00 0.00 37.83 34.29 3i9m s LYS 96 CO 0.00 0.54 1.52 -1.58 -0.92 0.00 0.00 175.35 174.91 3i9m s HIS 97 N -1.57 2.71 -1.91 3.18 5.65 -1.26 -3.60 115.29 118.49 3i9m s HIS 97 Ca 0.38 0.60 0.00 0.00 0.25 0.00 0.00 55.06 56.29 3i9m s HIS 97 Cb -0.13 -3.81 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 3i9m s HIS 97 CO 0.26 -3.11 0.67 -0.35 -0.65 0.00 0.00 174.74 171.56 3i9m n PRO 98 N 5.27 0.70 -0.09 2.88 -0.04 -1.26 -1.01 135.00 141.46 3i9m n PRO 98 Ca 0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 3i9m n PRO 98 Cb 0.42 -1.03 0.11 0.00 -0.04 0.00 0.00 33.50 32.95 3i9m n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9m n ASP 100 N 0.71 2.21 -4.76 0.00 8.00 -0.18 -4.37 116.55 118.15 3i9m n ASP 100 Ca 0.10 -3.11 -0.39 0.00 0.71 0.00 0.00 54.79 52.09 3i9m n ASP 100 Cb 0.38 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 41.00 3i9m n ASP 100 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i9m s ILE 101 N -2.80 3.71 0.22 0.53 -1.09 -0.83 -4.92 121.20 116.03 3i9m s ILE 101 Ca 0.31 1.62 0.08 0.00 -2.23 0.00 0.00 60.65 60.43 3i9m s ILE 101 Cb 0.28 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 3i9m s ILE 101 CO 0.02 0.31 -0.13 0.42 -1.23 0.00 0.00 174.94 174.33 3i9m s THR 102 N -1.29 1.75 0.46 2.92 -4.23 -1.26 -4.77 115.64 109.22 3i9m s THR 102 Ca 0.47 -2.21 0.13 0.00 -1.18 0.00 0.00 61.69 58.90 3i9m s THR 102 Cb -0.28 -2.12 0.29 0.00 1.34 0.00 0.00 72.50 71.73 3i9m s THR 102 CO 0.35 -0.54 2.07 -0.33 -0.54 0.00 0.00 174.62 175.63 3i9m h GLU 103 N 2.50 0.28 0.00 3.99 5.08 -1.97 -1.91 114.58 122.56 3i9m h GLU 103 Ca -0.38 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 3i9m h GLU 103 Cb 1.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3i9m h GLU 103 CO 0.63 0.19 -0.29 0.93 -1.00 0.00 0.00 179.01 179.46 3i9m h GLU 104 N 0.29 0.00 -0.20 2.33 3.07 -1.99 -1.30 114.58 116.77 3i9m h GLU 104 Ca 0.13 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.04 3i9m h GLU 104 Cb 0.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3i9m h GLU 104 CO -0.03 0.29 0.14 -0.44 -1.40 0.00 0.00 179.01 177.58 3i9m h ASP 105 N 0.00 0.05 -0.04 1.42 3.32 -1.67 -2.18 116.42 117.31 3i9m h ASP 105 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i9m h ASP 105 Cb 0.53 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3i9m h ASP 105 CO 0.04 0.03 0.00 -1.22 -1.72 0.00 0.00 179.24 176.37 3i9m n TYR 106 N -4.49 0.03 -0.14 4.55 4.02 -0.51 -4.10 117.16 116.52 3i9m n TYR 106 Ca 0.02 -0.01 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 3i9m n TYR 106 Cb 0.25 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 3i9m n TYR 106 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3i9m h GLN 107 N 3.81 0.57 -0.75 -0.72 1.08 -1.23 0.10 115.11 117.98 3i9m h GLN 107 Ca 0.00 -0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.28 3i9m h GLN 107 Cb 0.81 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 28.03 3i9m h GLN 107 CO 0.00 0.40 0.35 -1.35 -0.95 0.00 0.00 178.83 177.28 3i9m h PRO 108 N 0.57 0.53 -0.32 1.46 0.11 -1.79 0.77 132.00 133.34 3i9m h PRO 108 Ca 0.16 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3i9m h PRO 108 Cb -0.04 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 3i9m h PRO 108 CO -0.03 0.35 0.13 1.25 -0.21 0.00 0.00 178.00 179.49 3i9m h LEU 109 N 0.55 0.43 -0.84 2.35 5.85 -1.66 -2.10 115.31 119.88 3i9m h LEU 109 Ca 0.39 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 59.06 3i9m h LEU 109 Cb 0.51 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 3i9m h LEU 109 CO -0.33 0.47 0.48 0.24 -0.34 0.00 0.00 178.44 178.95 3i9m h MET 110 N 0.37 0.76 -0.11 1.25 2.86 0.11 -0.47 114.93 119.70 3i9m h MET 110 Ca 0.11 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3i9m h MET 110 Cb 0.16 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3i9m h MET 110 CO -0.01 0.50 0.04 -0.22 1.06 0.00 0.00 176.91 178.29 3i9m h LYS 111 N 0.78 0.17 -0.25 1.72 3.64 -0.72 -2.06 116.57 119.85 3i9m h LYS 111 Ca 0.41 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 3i9m h LYS 111 Cb 0.41 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3i9m h LYS 111 CO -0.26 0.28 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.10 3i9m h LEU 112 N 0.02 0.34 -2.62 5.20 3.38 -0.93 -2.74 115.31 117.96 3i9m h LEU 112 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i9m h LEU 112 Cb 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3i9m h LEU 112 CO -0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.56 3i9m n GLY 113 N -0.99 2.24 3.64 0.83 0.00 -0.22 -4.95 105.19 105.74 3i9m n GLY 113 Ca 0.00 -0.69 -0.49 0.00 0.00 0.00 0.00 46.02 44.85 3i9m n GLY 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9m n THR 114 N 0.86 0.03 -3.67 2.61 -1.04 -0.80 -4.73 114.28 107.54 3i9m n THR 114 Ca 0.21 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.12 3i9m n THR 114 Cb 0.76 -1.23 -0.09 0.00 -1.82 0.00 0.00 70.33 67.95 3i9m n THR 114 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3i9m s GLN 115 N 0.89 0.57 -0.24 -2.82 0.74 -1.26 -5.09 119.66 112.44 3i9m s GLN 115 Ca 0.82 1.00 -0.09 0.00 0.05 0.00 0.00 55.36 57.14 3i9m s GLN 115 Cb -0.81 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.34 3i9m s GLN 115 CO 0.43 -0.15 0.12 0.99 -0.55 0.00 0.00 175.29 176.13 3i9m s THR 116 N 1.42 4.94 0.13 -0.34 2.01 -1.26 -5.09 115.64 117.45 3i9m s THR 116 Ca -0.09 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.03 3i9m s THR 116 Cb -0.06 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 3i9m s THR 116 CO -0.15 0.35 -0.16 0.68 -0.69 0.00 0.00 174.62 174.65 3i9m s VAL 117 N 1.23 2.97 -0.25 3.82 -7.23 -1.26 -5.05 120.40 114.63 3i9m s VAL 117 Ca 0.06 -1.50 -0.36 0.00 -1.81 0.00 0.00 61.98 58.37 3i9m s VAL 117 Cb -0.14 -2.39 -0.12 0.00 0.56 0.00 0.00 36.38 34.29 3i9m s VAL 117 CO 0.05 0.06 1.99 -2.65 -0.31 0.00 0.00 175.10 174.25 3i9m n PRO 118 N 0.65 1.47 0.23 4.82 -0.02 -1.26 -4.79 135.00 136.09 3i9m n PRO 118 Ca -0.14 0.49 0.16 0.00 -2.02 0.00 0.00 63.50 61.98 3i9m n PRO 118 Cb 0.53 -2.47 0.76 0.00 -0.02 0.00 0.00 33.50 32.30 3i9m n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9m n ASN 120 N -2.68 2.35 -1.16 0.00 6.94 -1.26 -0.46 115.26 118.99 3i9m n ASN 120 Ca -0.01 -1.84 -0.04 0.00 -0.02 0.00 0.00 54.58 52.68 3i9m n ASN 120 Cb 0.16 -0.17 0.14 0.00 -2.36 0.00 0.00 39.78 37.54 3i9m n ASN 120 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3i9m n LYS 121 N 0.77 2.15 -3.43 -3.83 4.76 -0.63 -4.63 118.16 113.32 3i9m n LYS 121 Ca 0.17 -3.52 -0.38 0.00 -2.87 0.00 0.00 58.31 51.72 3i9m n LYS 121 Cb 0.43 -1.74 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 3i9m n LYS 121 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i9m s ILE 122 N -3.51 5.17 -0.23 -0.18 1.01 -1.26 -0.73 121.20 121.47 3i9m s ILE 122 Ca 0.42 0.81 -0.01 0.00 0.00 0.00 0.00 60.65 61.87 3i9m s ILE 122 Cb 0.38 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 39.14 3i9m s ILE 122 CO -0.04 0.43 -0.10 -0.22 0.00 0.00 0.00 174.94 175.01 3i9m s LEU 123 N 0.02 2.91 0.47 2.97 2.96 0.52 -2.17 118.68 126.37 3i9m s LEU 123 Ca 0.23 -0.81 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 3i9m s LEU 123 Cb -0.15 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 44.94 3i9m s LEU 123 CO 0.10 -0.09 0.68 -0.76 -1.32 0.00 0.00 176.35 174.95 3i9m s LEU 124 N 1.31 3.54 0.03 -0.68 1.43 0.94 -3.99 118.68 121.26 3i9m s LEU 124 Ca 0.01 0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 3i9m s LEU 124 Cb -0.16 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.16 3i9m s LEU 124 CO -0.07 -0.85 0.33 -1.66 0.23 0.00 0.00 176.35 174.33 3i9m s TRP 125 N -2.57 -0.16 -0.19 0.29 1.48 -1.26 -1.03 118.94 115.50 3i9m s TRP 125 Ca 0.52 0.11 -0.02 0.00 -1.06 0.00 0.00 56.10 55.65 3i9m s TRP 125 Cb -0.10 0.12 0.06 0.00 -1.16 0.00 0.00 33.47 32.39 3i9m s TRP 125 CO 0.37 -0.49 0.02 0.45 -4.06 0.00 0.00 176.95 173.24 3i9m s SER 126 N -1.85 2.88 -1.98 -2.66 0.15 -0.70 -4.83 113.70 104.71 3i9m s SER 126 Ca -0.07 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.79 3i9m s SER 126 Cb -0.02 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 3i9m s SER 126 CO -0.01 -0.29 0.00 0.54 1.20 0.00 0.00 173.24 174.68 3i9m n ARG 127 N 5.02 -1.58 -2.74 5.44 1.74 -1.26 -3.70 116.66 119.57 3i9m n ARG 127 Ca -0.09 1.11 -0.04 0.00 -0.77 0.00 0.00 57.85 58.06 3i9m n ARG 127 Cb 0.47 -5.65 0.07 0.00 -1.02 0.00 0.00 32.46 26.33 3i9m n ARG 127 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3i9m n ILE 128 N -3.27 0.76 -0.37 0.55 3.06 -1.26 -4.68 119.36 114.14 3i9m n ILE 128 Ca -0.23 -2.35 -0.01 0.00 -2.50 0.00 0.00 62.75 57.66 3i9m n ILE 128 Cb 0.69 1.04 0.12 0.00 0.54 0.00 0.00 39.64 42.03 3i9m n ILE 128 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i9m h LYS 129 N 2.28 1.27 -0.41 9.51 3.64 -1.94 -2.94 116.57 127.98 3i9m h LYS 129 Ca -0.22 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.12 3i9m h LYS 129 Cb 1.26 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3i9m h LYS 129 CO 0.15 0.84 0.21 -0.44 -2.27 0.00 0.00 179.45 177.93 3i9m h ASP 130 N 1.30 0.31 -0.11 4.20 3.32 -2.00 -1.05 116.42 122.39 3i9m h ASP 130 Ca 0.38 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.32 3i9m h ASP 130 Cb -0.09 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3i9m h ASP 130 CO -0.10 0.22 -0.35 0.25 -1.72 0.00 0.00 179.24 177.54 3i9m h LEU 131 N 0.42 0.64 -0.59 1.55 6.46 -1.98 -1.43 115.31 120.38 3i9m h LEU 131 Ca 0.17 -0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3i9m h LEU 131 Cb 0.07 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 3i9m h LEU 131 CO -0.12 0.94 0.36 0.00 -0.62 0.00 0.00 178.44 179.00 3i9m h ALA 132 N 1.10 0.75 -0.52 1.25 0.00 -1.26 -0.13 119.26 120.46 3i9m h ALA 132 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3i9m h ALA 132 Cb 0.85 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3i9m h ALA 132 CO 0.07 0.23 0.14 0.45 0.00 0.00 0.00 179.25 180.14 3i9m h HIS 133 N 0.80 0.87 -0.99 0.00 3.86 -1.05 -2.23 115.15 116.40 3i9m h HIS 133 Ca 0.21 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3i9m h HIS 133 Cb -0.02 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.14 3i9m h HIS 133 CO -0.02 0.76 0.65 1.96 0.86 0.00 0.00 177.93 182.14 3i9m h GLN 134 N 0.73 1.19 0.66 2.45 4.20 -0.93 -1.74 115.11 121.66 3i9m h GLN 134 Ca 0.17 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3i9m h GLN 134 Cb 0.32 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 27.84 3i9m h GLN 134 CO -0.00 0.78 -0.32 0.35 -0.67 0.00 0.00 178.83 178.98 3i9m h PHE 135 N 1.22 -0.82 0.00 2.96 3.04 -0.71 -2.94 116.94 119.70 3i9m h PHE 135 Ca 0.41 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.34 3i9m h PHE 135 Cb 0.07 0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.85 3i9m h PHE 135 CO -0.00 -0.48 0.00 0.25 -2.02 0.00 0.00 178.31 176.06 3i9m n THR 136 N -5.43 1.27 0.01 4.41 -2.24 -0.87 0.23 114.28 111.66 3i9m n THR 136 Ca -0.13 0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.85 3i9m n THR 136 Cb 0.37 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 3i9m n THR 136 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3i9m h GLN 137 N 0.00 0.58 0.06 -0.78 4.20 -1.14 -3.33 115.11 114.70 3i9m h GLN 137 Ca 0.00 -0.45 -0.26 0.00 0.06 0.00 0.00 58.65 58.01 3i9m h GLN 137 Cb 0.18 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3i9m h GLN 137 CO 0.00 1.07 -1.37 0.28 -0.67 0.00 0.00 178.83 178.13 3i9m h VAL 138 N 0.41 0.94 -2.32 -0.54 2.07 -0.96 -3.40 116.25 112.46 3i9m h VAL 138 Ca -0.03 -2.29 -0.76 0.00 0.82 0.00 0.00 66.70 64.45 3i9m h VAL 138 Cb 1.28 2.50 -0.20 0.00 -1.52 0.00 0.00 31.29 33.35 3i9m h VAL 138 CO 0.13 0.56 1.29 1.67 0.02 0.00 0.00 177.57 181.25 3i9m n GLN 139 N -4.10 3.57 0.00 1.57 -0.06 0.13 -4.83 117.38 113.66 3i9m n GLN 139 Ca -0.29 -3.96 0.00 0.00 -2.00 0.00 0.00 57.00 50.76 3i9m n GLN 139 Cb 0.81 -2.87 0.02 0.00 -4.06 0.00 0.00 30.24 24.14 3i9m n GLN 139 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 3i9m n ARG 140 N 4.26 0.01 -0.55 3.69 0.63 -1.25 -1.29 116.66 122.16 3i9m n ARG 140 Ca 0.34 0.27 0.08 0.00 -0.92 0.00 0.00 57.85 57.62 3i9m n ARG 140 Cb 0.40 -1.50 0.31 0.00 0.45 0.00 0.00 32.46 32.12 3i9m n ARG 140 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3i9m n ASP 141 N -1.28 4.42 -4.18 6.15 -0.08 -1.26 -4.92 116.55 115.40 3i9m n ASP 141 Ca 0.00 -2.58 -0.14 0.00 -1.51 0.00 0.00 54.79 50.56 3i9m n ASP 141 Cb 0.01 -0.53 -0.11 0.00 2.34 0.00 0.00 41.12 42.83 3i9m n ASP 141 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3i9m s MET 142 N -2.07 0.87 -0.06 -0.67 -1.94 -0.42 -4.81 119.30 110.20 3i9m s MET 142 Ca 0.45 -1.19 -0.00 0.00 -1.71 0.00 0.00 55.69 53.24 3i9m s MET 142 Cb 0.31 -0.55 0.03 0.00 2.01 0.00 0.00 34.83 36.63 3i9m s MET 142 CO 0.18 0.08 -0.01 -0.06 -0.01 0.00 0.00 175.02 175.20 3i9m s PHE 143 N -2.53 0.64 0.67 -0.03 0.08 0.09 -4.76 117.98 112.16 3i9m s PHE 143 Ca 0.07 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 3i9m s PHE 143 Cb -0.02 -0.70 0.09 0.00 -0.57 0.00 0.00 43.02 41.82 3i9m s PHE 143 CO 0.00 -0.26 0.94 0.95 -0.10 0.00 0.00 175.22 176.75 3i9m s THR 144 N 1.51 2.30 0.42 0.64 -4.23 -1.26 -0.36 115.64 114.67 3i9m s THR 144 Ca -0.02 -0.57 0.11 0.00 -1.18 0.00 0.00 61.69 60.02 3i9m s THR 144 Cb -0.13 -2.73 0.21 0.00 1.34 0.00 0.00 72.50 71.19 3i9m s THR 144 CO -0.03 0.00 2.00 0.25 -0.54 0.00 0.00 174.62 176.30 3i9m h LEU 145 N -0.38 0.22 0.00 4.79 5.85 -1.97 0.10 115.31 123.92 3i9m h LEU 145 Ca -0.39 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3i9m h LEU 145 Cb 1.28 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3i9m h LEU 145 CO 0.46 0.28 0.00 -0.62 -0.34 0.00 0.00 178.44 178.22 3i9m n GLU 146 N -4.38 0.47 0.00 1.25 4.71 -1.26 -2.00 120.64 119.44 3i9m n GLU 146 Ca -0.00 0.05 0.13 0.00 -0.01 0.00 0.00 57.16 57.32 3i9m n GLU 146 Cb 0.18 -1.50 0.31 0.00 -1.01 0.00 0.00 31.44 29.43 3i9m n GLU 146 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i9m n ASP 147 N -1.18 1.31 -4.95 1.62 10.43 0.02 -3.46 116.55 120.35 3i9m n ASP 147 Ca 0.13 -1.10 -0.24 0.00 2.57 0.00 0.00 54.79 56.15 3i9m n ASP 147 Cb 0.14 0.18 -0.02 0.00 1.84 0.00 0.00 41.12 43.27 3i9m n ASP 147 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3i9m s THR 148 N -2.43 5.16 0.12 -3.53 -4.23 -0.85 -4.95 115.64 104.94 3i9m s THR 148 Ca 0.25 -0.58 -0.25 0.00 -1.18 0.00 0.00 61.69 59.94 3i9m s THR 148 Cb 0.19 -3.83 -0.06 0.00 1.34 0.00 0.00 72.50 70.13 3i9m s THR 148 CO 0.50 -0.42 1.66 0.25 -0.54 0.00 0.00 174.62 176.08 3i9m h LEU 149 N 1.12 -0.55 -0.81 4.79 5.85 -1.89 0.11 115.31 123.94 3i9m h LEU 149 Ca -0.50 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 3i9m h LEU 149 Cb 1.22 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 3i9m h LEU 149 CO 0.63 -0.25 0.33 -0.07 -0.34 0.00 0.00 178.44 178.73 3i9m h LEU 150 N -0.31 1.11 -0.72 2.25 3.38 -1.87 -0.88 115.31 118.27 3i9m h LEU 150 Ca 0.05 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3i9m h LEU 150 Cb 0.38 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3i9m h LEU 150 CO -0.17 0.97 -0.18 1.23 0.09 0.00 0.00 178.44 180.39 3i9m h GLY 151 N 1.18 0.86 1.03 0.83 0.00 -1.53 -2.86 103.07 102.59 3i9m h GLY 151 Ca 0.27 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3i9m h GLY 151 CO -0.02 0.64 0.32 -1.82 0.00 0.00 0.00 176.54 175.66 3i9m h TYR 152 N 0.70 1.14 -0.79 5.60 5.03 -0.48 -1.55 116.97 126.62 3i9m h TYR 152 Ca 0.11 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 3i9m h TYR 152 Cb 0.68 -0.34 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 3i9m h TYR 152 CO 0.04 0.86 0.45 -0.07 -1.32 0.00 0.00 178.16 178.11 3i9m h LEU 153 N 1.08 0.97 0.00 2.82 3.38 -0.98 -3.21 115.31 119.37 3i9m h LEU 153 Ca 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i9m h LEU 153 Cb 0.19 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i9m h LEU 153 CO -0.02 0.78 -0.94 0.00 0.09 0.00 0.00 178.44 178.35 3i9m n ALA 154 N -2.36 4.09 -1.68 1.53 0.00 -1.09 -4.80 120.51 116.20 3i9m n ALA 154 Ca 0.08 -0.50 -0.46 0.00 0.00 0.00 0.00 53.44 52.56 3i9m n ALA 154 Cb 0.08 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 3i9m n ALA 154 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i9m n ASP 155 N -1.63 3.35 0.00 0.00 4.64 -0.60 -1.25 116.55 121.05 3i9m n ASP 155 Ca 0.03 1.04 0.00 0.00 -1.38 0.00 0.00 54.79 54.49 3i9m n ASP 155 Cb 0.37 -1.44 0.00 0.00 -1.04 0.00 0.00 41.12 39.01 3i9m n ASP 155 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3i9m n ASP 156 N 4.46 -0.69 -4.94 1.67 8.00 -1.26 -4.99 116.55 118.80 3i9m n ASP 156 Ca 0.18 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.44 3i9m n ASP 156 Cb 0.30 -1.17 -0.02 0.00 -0.02 0.00 0.00 41.12 40.22 3i9m n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i9m s LEU 157 N 0.00 4.09 0.03 0.64 1.43 -0.38 -5.06 118.68 119.43 3i9m s LEU 157 Ca 0.00 0.40 0.06 0.00 -1.03 0.00 0.00 54.13 53.56 3i9m s LEU 157 Cb 0.00 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 3i9m s LEU 157 CO 0.00 -0.22 -0.18 -0.89 0.23 0.00 0.00 176.35 175.28 3i9m s THR 158 N -2.20 1.47 -0.01 5.49 2.01 -1.26 -5.00 115.64 116.14 3i9m s THR 158 Ca 0.39 -1.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 3i9m s THR 158 Cb -0.10 -1.28 0.05 0.00 0.01 0.00 0.00 72.50 71.18 3i9m s THR 158 CO 0.34 0.19 0.49 -1.66 -0.69 0.00 0.00 174.62 173.29 3i9m s TRP 159 N -0.73 -0.40 0.07 4.92 -2.14 -1.26 -1.30 118.94 118.10 3i9m s TRP 159 Ca 0.06 0.59 -0.27 0.00 2.66 0.00 0.00 56.10 59.14 3i9m s TRP 159 Cb -0.08 0.26 0.09 0.00 -3.10 0.00 0.00 33.47 30.64 3i9m s TRP 159 CO 0.01 -0.53 0.83 0.00 -2.66 0.00 0.00 176.95 174.60 3i9m n GLY 161 N -0.32 4.57 2.88 0.00 0.00 -1.26 -1.28 105.19 109.78 3i9m n GLY 161 Ca -0.10 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 3i9m n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9m s GLU 162 N 2.19 0.25 0.14 1.61 2.02 -1.23 -4.56 118.70 119.12 3i9m s GLU 162 Ca 0.00 -0.04 -0.31 0.00 0.02 0.00 0.00 54.97 54.64 3i9m s GLU 162 Cb 0.00 -0.31 -0.10 0.00 0.10 0.00 0.00 34.13 33.81 3i9m s GLU 162 CO 0.00 -0.01 1.76 0.12 0.02 0.00 0.00 175.26 177.15 3i9m s PHE 163 N 0.32 2.44 -1.73 1.61 5.36 -1.24 -3.16 117.98 121.58 3i9m s PHE 163 Ca -0.03 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.10 3i9m s PHE 163 Cb -0.06 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.50 3i9m s PHE 163 CO -0.01 -4.49 0.00 -3.47 -1.46 0.00 0.00 175.22 165.80 3i9m n ASP 164 N 5.12 -5.13 -4.23 6.13 2.03 0.08 -4.94 116.55 115.61 3i9m n ASP 164 Ca 0.17 0.27 -0.13 0.00 0.52 0.00 0.00 54.79 55.61 3i9m n ASP 164 Cb 0.38 -4.19 -0.10 0.00 -0.72 0.00 0.00 41.12 36.48 3i9m n ASP 164 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3i9m s THR 165 N -2.74 0.62 -0.77 5.18 -1.32 -1.19 -5.04 115.64 110.38 3i9m s THR 165 Ca 0.00 -1.97 0.11 0.00 -1.21 0.00 0.00 61.69 58.62 3i9m s THR 165 Cb 0.00 -2.09 0.56 0.00 -1.51 0.00 0.00 72.50 69.45 3i9m s THR 165 CO 0.00 -0.49 1.38 -1.54 -2.21 0.00 0.00 174.62 171.76 3i9m n SER 166 N -0.22 4.04 -4.84 8.08 3.41 -1.26 -2.97 113.62 119.86 3i9m n SER 166 Ca -0.07 -2.53 -0.35 0.00 -0.26 0.00 0.00 58.87 55.66 3i9m n SER 166 Cb 0.63 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 3i9m n SER 166 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i9m s LYS 167 N -2.06 4.01 0.25 4.33 1.02 -1.26 -4.84 119.74 121.19 3i9m s LYS 167 Ca 0.38 0.53 -0.29 0.00 0.02 0.00 0.00 55.97 56.60 3i9m s LYS 167 Cb 0.27 -2.94 -0.09 0.00 -0.52 0.00 0.00 37.83 34.55 3i9m s LYS 167 CO 0.14 0.48 0.94 0.42 -0.92 0.00 0.00 175.35 176.40 3i9m s ILE 168 N -1.46 4.09 -0.50 2.17 1.01 -1.26 -3.50 121.20 121.75 3i9m s ILE 168 Ca 0.38 2.05 -0.20 0.00 0.00 0.00 0.00 60.65 62.88 3i9m s ILE 168 Cb -0.15 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.08 3i9m s ILE 168 CO 0.19 0.45 0.66 0.21 0.00 0.00 0.00 174.94 176.45 3i9m s ASN 169 N -1.24 6.26 0.00 3.58 3.84 -0.41 -4.88 114.94 122.08 3i9m s ASN 169 Ca 0.42 -0.72 0.24 0.00 0.21 0.00 0.00 52.86 53.01 3i9m s ASN 169 Cb -0.25 -2.31 0.66 0.00 -0.55 0.00 0.00 41.25 38.80 3i9m s ASN 169 CO 0.31 -0.90 1.52 -1.22 -2.79 0.00 0.00 177.10 174.01 3i9m n TYR 170 N 6.34 0.17 -0.13 0.43 4.02 -1.26 -1.23 117.16 125.49 3i9m n TYR 170 Ca -0.05 -0.08 -0.19 0.00 -0.01 0.00 0.00 57.90 57.57 3i9m n TYR 170 Cb 0.46 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.67 3i9m n TYR 170 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3i9m n GLN 171 N 0.71 0.63 -3.51 -0.72 6.02 -1.26 -4.26 117.38 115.00 3i9m n GLN 171 Ca 0.17 0.16 -0.13 0.00 -0.01 0.00 0.00 57.00 57.19 3i9m n GLN 171 Cb 0.44 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 30.16 3i9m n GLN 171 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i9m s SER 172 N -6.59 -0.48 0.07 1.08 1.04 -1.26 -3.68 113.70 103.88 3i9m s SER 172 Ca -0.35 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.13 3i9m s SER 172 Cb 0.09 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 3i9m s SER 172 CO 0.58 -0.86 -0.05 0.00 0.98 0.00 0.00 173.24 173.89 3i9m n PRO 174 N 0.49 2.27 -2.96 0.00 -0.02 -1.26 -1.19 135.00 132.33 3i9m n PRO 174 Ca -0.16 0.81 -0.40 0.00 -2.02 0.00 0.00 63.50 61.72 3i9m n PRO 174 Cb 0.59 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 3i9m n PRO 174 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i9m s ASP 175 N 0.32 7.17 0.31 2.55 -1.08 -1.26 -4.66 116.67 120.03 3i9m s ASP 175 Ca 0.66 1.41 0.02 0.00 -0.52 0.00 0.00 52.55 54.12 3i9m s ASP 175 Cb -0.59 -2.47 0.59 0.00 -1.46 0.00 0.00 42.92 38.99 3i9m s ASP 175 CO 0.50 -0.06 1.89 -0.25 0.52 0.00 0.00 175.17 177.77 3i9m h TRP 176 N 6.12 1.02 0.01 -5.34 7.01 -1.94 0.11 115.95 122.95 3i9m h TRP 176 Ca -0.43 0.03 -0.19 0.00 2.11 0.00 0.00 58.89 60.41 3i9m h TRP 176 Cb 1.20 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.91 3i9m h TRP 176 CO 0.65 0.49 -1.02 -0.09 -2.79 0.00 0.00 178.44 175.68 3i9m h ARG 177 N 0.96 0.03 0.01 2.65 2.43 -1.93 -3.24 114.38 115.28 3i9m h ARG 177 Ca 0.42 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.35 3i9m h ARG 177 Cb 0.34 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3i9m h ARG 177 CO -0.18 1.02 -0.89 0.87 -1.51 0.00 0.00 179.97 179.28 3i9m h LYS 178 N -0.91 0.04 0.00 0.20 1.57 -1.98 -3.43 116.57 112.07 3i9m h LYS 178 Ca -0.27 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3i9m h LYS 178 Cb 1.30 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3i9m h LYS 178 CO -0.13 0.90 0.00 -0.25 -0.57 0.00 0.00 179.45 179.40 3i9m n ASP 179 N -3.52 0.00 -3.53 0.86 8.00 0.32 -4.97 116.55 113.71 3i9m n ASP 179 Ca -0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.33 3i9m n ASP 179 Cb 0.84 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.81 3i9m n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9m h SER 181 N 2.86 0.00 -0.98 0.00 4.64 -1.84 -3.35 113.55 114.88 3i9m h SER 181 Ca -0.26 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.34 3i9m h SER 181 Cb 1.15 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.14 3i9m h SER 181 CO 0.37 0.57 2.61 0.59 -0.87 0.00 0.00 176.83 180.11 3i9m n ASN 182 N -3.02 8.15 -4.93 4.97 3.02 -1.26 -4.48 115.26 117.71 3i9m n ASN 182 Ca -0.06 -3.06 -0.20 0.00 -0.03 0.00 0.00 54.58 51.23 3i9m n ASN 182 Cb 0.81 -1.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 3i9m n ASN 182 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i9m s ASN 183 N 0.64 5.78 0.24 6.41 2.20 -1.24 -1.96 114.94 127.01 3i9m s ASN 183 Ca 0.57 -0.24 -0.05 0.00 -0.94 0.00 0.00 52.86 52.20 3i9m s ASN 183 Cb 0.19 -1.28 0.41 0.00 -2.00 0.00 0.00 41.25 38.56 3i9m s ASN 183 CO -0.09 -0.30 1.78 -0.65 -2.94 0.00 0.00 177.10 174.89 3i9m h PRO 184 N 1.11 0.63 -0.03 3.55 0.11 -1.81 0.28 132.00 135.83 3i9m h PRO 184 Ca -0.47 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3i9m h PRO 184 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i9m h PRO 184 CO 0.57 0.41 -0.28 0.28 -0.21 0.00 0.00 178.00 178.77 3i9m h VAL 185 N 0.64 1.48 -0.66 3.15 2.07 -1.95 -2.22 116.25 118.76 3i9m h VAL 185 Ca 0.39 -1.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 3i9m h VAL 185 Cb 0.45 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 3i9m h VAL 185 CO -0.29 0.51 0.27 0.28 0.02 0.00 0.00 177.57 178.35 3i9m h SER 186 N -0.32 0.90 -0.54 0.57 0.02 -1.78 -2.13 113.55 110.27 3i9m h SER 186 Ca -0.03 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 3i9m h SER 186 Cb 0.97 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 3i9m h SER 186 CO 0.06 0.83 -0.08 0.58 -1.14 0.00 0.00 176.83 177.07 3i9m h VAL 187 N 0.93 1.27 -0.02 2.27 2.07 -1.00 -0.89 116.25 120.87 3i9m h VAL 187 Ca 0.22 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.53 3i9m h VAL 187 Cb 0.20 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3i9m h VAL 187 CO -0.02 0.44 -0.17 0.15 0.02 0.00 0.00 177.57 178.00 3i9m h PHE 188 N 0.92 -0.43 -0.20 1.57 3.57 -1.02 -0.40 116.94 120.95 3i9m h PHE 188 Ca 0.15 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 3i9m h PHE 188 Cb 0.65 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3i9m h PHE 188 CO 0.04 -0.24 -0.34 -1.49 -2.23 0.00 0.00 178.31 174.05 3i9m h TRP 189 N -0.26 0.48 -0.49 0.41 4.06 -1.15 -0.16 115.95 118.84 3i9m h TRP 189 Ca 0.06 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.89 3i9m h TRP 189 Cb 0.34 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 3i9m h TRP 189 CO -0.23 0.71 0.31 -0.22 -3.56 0.00 0.00 178.44 175.45 3i9m h LYS 190 N 0.36 0.66 -0.05 0.49 3.64 -0.79 -0.71 116.57 120.16 3i9m h LYS 190 Ca 0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3i9m h LYS 190 Cb 0.78 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3i9m h LYS 190 CO 0.06 0.46 -0.03 1.15 -2.27 0.00 0.00 179.45 178.82 3i9m h THR 191 N 0.66 1.35 -0.21 1.00 2.02 -0.52 -1.83 112.91 115.38 3i9m h THR 191 Ca 0.18 -1.10 -0.16 0.00 0.77 0.00 0.00 66.41 66.10 3i9m h THR 191 Cb -0.04 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3i9m h THR 191 CO -0.04 0.30 -0.51 -0.37 0.37 0.00 0.00 175.52 175.27 3i9m h VAL 192 N -0.31 1.31 -0.41 3.16 -1.51 -1.05 -2.74 116.25 114.70 3i9m h VAL 192 Ca 0.01 -1.73 -0.04 0.00 -1.23 0.00 0.00 66.70 63.70 3i9m h VAL 192 Cb 0.50 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.34 3i9m h VAL 192 CO 0.01 0.54 0.08 0.28 -1.23 0.00 0.00 177.57 177.25 3i9m h SER 193 N 0.46 0.64 -0.01 4.19 0.02 -1.15 -1.63 113.55 116.07 3i9m h SER 193 Ca 0.02 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3i9m h SER 193 Cb 1.05 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 3i9m h SER 193 CO 0.10 0.72 -0.05 -0.09 -1.14 0.00 0.00 176.83 176.37 3i9m h ARG 194 N 0.53 -0.09 -0.85 3.45 2.43 -1.25 0.79 114.38 119.40 3i9m h ARG 194 Ca 0.13 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 3i9m h ARG 194 Cb 0.35 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 3i9m h ARG 194 CO 0.01 -0.06 0.52 -0.09 -1.51 0.00 0.00 179.97 178.84 3i9m h ARG 195 N -0.09 0.94 -0.46 0.20 2.43 -1.40 0.63 114.38 116.62 3i9m h ARG 195 Ca 0.03 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3i9m h ARG 195 Cb 0.13 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3i9m h ARG 195 CO -0.06 0.62 0.01 0.35 -1.51 0.00 0.00 179.97 179.38 3i9m h PHE 196 N 0.96 0.87 -0.53 2.20 3.57 -0.89 -2.08 116.94 121.05 3i9m h PHE 196 Ca 0.37 -0.15 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 3i9m h PHE 196 Cb 0.16 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3i9m h PHE 196 CO -0.03 0.84 -0.10 0.00 -2.23 0.00 0.00 178.31 176.79 3i9m h ALA 197 N 0.92 0.82 0.00 2.41 0.00 -0.43 -2.91 119.26 120.07 3i9m h ALA 197 Ca 0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3i9m h ALA 197 Cb 0.48 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i9m h ALA 197 CO 0.02 0.66 -0.13 0.93 0.00 0.00 0.00 179.25 180.73 3i9m h GLU 198 N 0.88 0.00 0.00 0.00 5.08 -0.63 -2.54 114.58 117.38 3i9m h GLU 198 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3i9m h GLU 198 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3i9m h GLU 198 CO 0.04 0.13 -0.54 0.00 -1.00 0.00 0.00 179.01 177.64 3i9m h ALA 199 N 1.87 0.66 -2.67 3.43 0.00 -1.19 -3.44 119.26 117.92 3i9m h ALA 199 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 3i9m h ALA 199 Cb 0.25 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.14 3i9m h ALA 199 CO 0.02 0.00 0.44 0.00 0.00 0.00 0.00 179.25 179.70 3i9m s ALA 200 N -3.19 2.58 0.27 0.00 0.00 -0.96 -4.70 121.76 115.77 3i9m s ALA 200 Ca 0.06 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 3i9m s ALA 200 Cb 0.12 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3i9m s ALA 200 CO 0.71 -1.04 0.42 0.00 0.00 0.00 0.00 175.76 175.85 3i9m n ASP 202 N -0.71 0.00 -4.60 0.00 8.00 0.59 -4.08 116.55 115.76 3i9m n ASP 202 Ca -0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 3i9m n ASP 202 Cb 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.62 3i9m n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i9m s VAL 203 N 0.00 5.29 -0.20 2.53 1.01 -1.26 -1.32 120.40 126.44 3i9m s VAL 203 Ca 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 3i9m s VAL 203 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3i9m s VAL 203 CO 0.00 0.24 0.10 -0.69 0.00 0.00 0.00 175.10 174.75 3i9m s VAL 204 N 1.76 5.05 -0.03 2.92 1.01 -0.54 -4.61 120.40 125.96 3i9m s VAL 204 Ca 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 3i9m s VAL 204 Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3i9m s VAL 204 CO 0.10 0.43 0.15 -1.00 0.00 0.00 0.00 175.10 174.78 3i9m s HIS 205 N 0.56 3.51 -0.06 5.22 3.76 -0.92 -0.96 115.29 126.40 3i9m s HIS 205 Ca 0.05 0.37 0.01 0.00 -0.15 0.00 0.00 55.06 55.34 3i9m s HIS 205 Cb -0.12 -1.84 0.02 0.00 1.11 0.00 0.00 32.58 31.75 3i9m s HIS 205 CO 0.01 0.65 -0.09 0.54 -0.85 0.00 0.00 174.74 174.99 3i9m s VAL 206 N -1.23 0.91 -0.12 -0.90 0.11 -0.19 -0.04 120.40 118.93 3i9m s VAL 206 Ca 0.24 -0.32 -0.25 0.00 -2.93 0.00 0.00 61.98 58.71 3i9m s VAL 206 Cb -0.12 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 3i9m s VAL 206 CO 0.14 0.31 0.79 -0.32 -3.33 0.00 0.00 175.10 172.69 3i9m s MET 207 N 0.90 4.36 0.15 1.54 1.75 -0.20 0.50 119.30 128.30 3i9m s MET 207 Ca -0.11 0.98 0.11 0.00 -1.25 0.00 0.00 55.69 55.42 3i9m s MET 207 Cb -0.15 -3.52 -0.04 0.00 2.84 0.00 0.00 34.83 33.96 3i9m s MET 207 CO 0.01 -0.17 -0.25 -0.51 -0.65 0.00 0.00 175.02 173.45 3i9m s LEU 208 N 1.58 2.39 -0.50 4.11 1.43 -0.38 -1.73 118.68 125.58 3i9m s LEU 208 Ca 0.39 -0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 52.48 3i9m s LEU 208 Cb -0.17 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.85 3i9m s LEU 208 CO 0.16 0.16 0.87 -0.62 0.23 0.00 0.00 176.35 177.15 3i9m s ASP 209 N -2.26 6.39 0.17 2.29 2.15 -1.24 -1.64 116.67 122.53 3i9m s ASP 209 Ca 0.16 -0.21 0.23 0.00 0.43 0.00 0.00 52.55 53.16 3i9m s ASP 209 Cb -0.09 -2.42 0.90 0.00 -0.30 0.00 0.00 42.92 41.01 3i9m s ASP 209 CO 0.08 -1.08 1.70 0.61 -0.17 0.00 0.00 175.17 176.30 3i9m n GLY 210 N 5.04 -1.34 1.72 2.66 0.00 0.44 -3.01 105.19 110.70 3i9m n GLY 210 Ca 0.02 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3i9m n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i9m n SER 211 N -2.02 5.14 -4.88 1.61 3.41 -1.25 -4.81 113.62 110.81 3i9m n SER 211 Ca 0.04 -2.70 -0.34 0.00 -0.26 0.00 0.00 58.87 55.61 3i9m n SER 211 Cb 0.27 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 3i9m n SER 211 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i9m s ARG 212 N -2.33 3.72 0.62 4.33 1.81 -1.16 -4.97 118.95 120.97 3i9m s ARG 212 Ca 0.51 0.10 0.31 0.00 -1.72 0.00 0.00 55.73 54.93 3i9m s ARG 212 Cb 0.36 -2.95 1.73 0.00 -0.45 0.00 0.00 34.95 33.65 3i9m s ARG 212 CO 0.19 0.53 2.06 0.66 -0.68 0.00 0.00 175.30 178.05 3i9m h SER 213 N 3.46 0.00 -3.21 0.23 4.64 -1.91 -3.26 113.55 113.50 3i9m h SER 213 Ca -0.48 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.25 3i9m h SER 213 Cb 1.19 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.88 3i9m h SER 213 CO 0.68 0.00 -0.76 -0.54 -0.87 0.00 0.00 176.83 175.34 3i9m s LYS 214 N -4.42 0.89 0.09 4.77 1.02 -1.26 -5.02 119.74 115.81 3i9m s LYS 214 Ca -0.04 -1.42 -0.27 0.00 0.02 0.00 0.00 55.97 54.26 3i9m s LYS 214 Cb 0.13 -2.02 -0.15 0.00 -0.52 0.00 0.00 37.83 35.27 3i9m s LYS 214 CO 0.45 -1.07 1.69 0.82 -0.92 0.00 0.00 175.35 176.31 3i9m h ILE 215 N 5.88 0.69 -3.53 2.17 2.04 -1.76 -3.37 117.51 119.63 3i9m h ILE 215 Ca -0.07 0.00 -0.65 0.00 1.00 0.00 0.00 64.86 65.14 3i9m h ILE 215 Cb 0.98 0.69 -0.25 0.00 -0.74 0.00 0.00 36.82 37.50 3i9m h ILE 215 CO 0.45 0.00 -0.67 0.12 0.00 0.00 0.00 178.15 178.05 3i9m s PHE 216 N -6.13 3.03 -0.37 1.37 5.36 -1.26 -4.28 117.98 115.70 3i9m s PHE 216 Ca -0.15 -0.63 -0.11 0.00 -0.96 0.00 0.00 56.93 55.08 3i9m s PHE 216 Cb 0.06 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.59 3i9m s PHE 216 CO 0.65 -0.43 0.19 0.34 -1.46 0.00 0.00 175.22 174.51 3i9m s ASP 217 N 1.52 5.69 0.36 6.13 -1.08 -1.26 -4.83 116.67 123.21 3i9m s ASP 217 Ca 0.06 -0.96 0.16 0.00 -0.52 0.00 0.00 52.55 51.29 3i9m s ASP 217 Cb -0.15 -2.01 1.04 0.00 -1.46 0.00 0.00 42.92 40.35 3i9m s ASP 217 CO 0.01 -0.36 1.73 0.50 0.52 0.00 0.00 175.17 177.57 3i9m h LYS 218 N 8.41 0.42 -0.21 4.34 3.64 -1.95 -0.41 116.57 130.81 3i9m h LYS 218 Ca -0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3i9m h LYS 218 Cb 1.11 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3i9m h LYS 218 CO 0.66 0.28 0.00 -0.25 -2.27 0.00 0.00 179.45 177.87 3i9m n ASP 219 N -4.77 3.09 -4.54 4.20 8.00 -1.26 -3.30 116.55 117.97 3i9m n ASP 219 Ca 0.28 -1.96 -0.29 0.00 0.71 0.00 0.00 54.79 53.52 3i9m n ASP 219 Cb 0.88 -0.13 0.23 0.00 -0.02 0.00 0.00 41.12 42.08 3i9m n ASP 219 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i9m s SER 220 N -1.73 1.52 0.27 -2.24 1.04 -0.16 -4.70 113.70 107.70 3i9m s SER 220 Ca 0.34 1.75 -0.02 0.00 0.48 0.00 0.00 55.95 58.50 3i9m s SER 220 Cb 0.21 -2.40 0.36 0.00 0.10 0.00 0.00 66.02 64.29 3i9m s SER 220 CO 0.31 -3.90 1.80 0.74 0.98 0.00 0.00 173.24 173.17 3i9m h THR 221 N -2.42 1.23 -0.40 2.02 2.02 -1.91 -0.33 112.91 113.12 3i9m h THR 221 Ca -0.56 -0.88 0.07 0.00 0.77 0.00 0.00 66.41 65.81 3i9m h THR 221 Cb 1.31 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.38 3i9m h THR 221 CO 0.47 0.32 0.06 0.15 0.37 0.00 0.00 175.52 176.89 3i9m h PHE 222 N 0.81 0.08 -0.04 3.16 3.57 -1.88 -0.23 116.94 122.41 3i9m h PHE 222 Ca 0.17 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3i9m h PHE 222 Cb 0.34 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3i9m h PHE 222 CO 0.02 -0.02 0.00 0.78 -2.23 0.00 0.00 178.31 176.87 3i9m h GLY 223 N 0.18 0.07 1.78 2.40 0.00 -1.60 -1.06 103.07 104.83 3i9m h GLY 223 Ca 0.20 -0.05 -0.24 0.00 0.00 0.00 0.00 47.33 47.24 3i9m h GLY 223 CO -0.28 0.04 -1.15 1.48 0.00 0.00 0.00 176.54 176.63 3i9m h SER 224 N -0.20 0.12 0.00 0.19 4.64 -1.00 -3.33 113.55 113.97 3i9m h SER 224 Ca 0.01 -0.14 -0.20 0.00 -0.47 0.00 0.00 61.79 60.99 3i9m h SER 224 Cb 0.28 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3i9m h SER 224 CO 0.00 1.11 -1.54 0.52 -0.87 0.00 0.00 176.83 176.05 3i9m n VAL 225 N -3.37 1.24 0.01 0.95 0.31 -0.11 -4.51 118.33 112.84 3i9m n VAL 225 Ca -0.04 -0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 3i9m n VAL 225 Cb 0.98 -1.92 -0.09 0.00 -0.91 0.00 0.00 33.84 31.89 3i9m n VAL 225 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i9m h GLU 226 N -0.72 -0.11 -0.59 5.55 5.08 -1.28 -2.93 114.58 119.57 3i9m h GLU 226 Ca -0.30 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.15 3i9m h GLU 226 Cb 1.15 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 3i9m h GLU 226 CO -0.18 0.43 0.23 0.28 -1.00 0.00 0.00 179.01 178.76 3i9m h VAL 227 N -0.82 0.79 0.00 3.13 2.07 -1.36 -1.67 116.25 118.39 3i9m h VAL 227 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3i9m h VAL 227 Cb 0.59 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3i9m h VAL 227 CO 0.02 0.08 0.00 0.45 0.02 0.00 0.00 177.57 178.14 3i9m h HIS 228 N 0.41 0.00 -0.35 1.57 3.86 -1.67 -2.43 115.15 116.55 3i9m h HIS 228 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 3i9m h HIS 228 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3i9m h HIS 228 CO -0.16 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.72 3i9m n ASN 229 N -2.78 2.94 -4.66 2.45 4.13 -0.66 -4.91 115.26 111.78 3i9m n ASN 229 Ca -0.01 -1.92 -0.43 0.00 1.68 0.00 0.00 54.58 53.91 3i9m n ASN 229 Cb 0.17 -0.23 -0.02 0.00 -1.54 0.00 0.00 39.78 38.16 3i9m n ASN 229 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3i9m s LEU 230 N -1.03 4.26 -0.25 3.41 1.43 -0.92 -3.26 118.68 122.33 3i9m s LEU 230 Ca 0.26 1.98 -0.22 0.00 -1.03 0.00 0.00 54.13 55.11 3i9m s LEU 230 Cb 0.14 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 3i9m s LEU 230 CO 0.19 -0.84 0.72 -1.10 0.23 0.00 0.00 176.35 175.55 3i9m s GLN 231 N 3.69 4.15 0.59 1.70 -1.52 -1.26 -4.96 119.66 122.05 3i9m s GLN 231 Ca 0.64 0.74 0.35 0.00 -1.95 0.00 0.00 55.36 55.14 3i9m s GLN 231 Cb -0.28 -3.64 1.85 0.00 -0.22 0.00 0.00 33.01 30.72 3i9m s GLN 231 CO 0.22 -0.45 2.20 -1.35 -0.25 0.00 0.00 175.29 175.66 3i9m h PRO 232 N 7.77 0.00 0.00 2.91 0.11 -1.80 0.11 132.00 141.11 3i9m h PRO 232 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3i9m h PRO 232 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i9m h PRO 232 CO 0.82 0.04 -0.05 0.93 -0.21 0.00 0.00 178.00 179.53 3i9m h GLU 233 N 0.00 0.00 0.00 1.05 3.07 -1.93 -3.33 114.58 113.43 3i9m h GLU 233 Ca -0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3i9m h GLU 233 Cb 0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3i9m h GLU 233 CO 0.00 0.05 -1.16 1.63 -1.40 0.00 0.00 179.01 178.14 3i9m n LYS 234 N -3.28 0.92 -3.60 2.33 5.02 -0.49 -5.01 118.16 114.04 3i9m n LYS 234 Ca -0.01 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 3i9m n LYS 234 Cb 0.22 -1.06 -0.10 0.00 -0.02 0.00 0.00 35.03 34.07 3i9m n LYS 234 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9m s VAL 235 N -2.06 5.32 -0.10 -0.18 1.01 0.27 -0.30 120.40 124.37 3i9m s VAL 235 Ca -0.03 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 3i9m s VAL 235 Cb 0.01 -3.54 -0.28 0.00 0.00 0.00 0.00 36.38 32.57 3i9m s VAL 235 CO 0.07 0.29 0.67 1.56 0.00 0.00 0.00 175.10 177.69 3i9m h GLN 236 N 7.94 0.22 -3.39 2.72 1.08 -1.48 -3.41 115.11 118.79 3i9m h GLN 236 Ca -0.36 -0.38 -0.22 0.00 -1.45 0.00 0.00 58.65 56.24 3i9m h GLN 236 Cb 1.18 0.14 -0.29 0.00 -0.05 0.00 0.00 27.48 28.46 3i9m h GLN 236 CO 0.61 1.18 -0.60 0.99 -0.95 0.00 0.00 178.83 180.06 3i9m s THR 237 N -2.43 -0.02 -0.23 -0.54 2.01 -1.04 -0.89 115.64 112.51 3i9m s THR 237 Ca -0.18 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 3i9m s THR 237 Cb 0.03 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 3i9m s THR 237 CO 0.77 0.03 0.09 -0.22 -0.69 0.00 0.00 174.62 174.60 3i9m s LEU 238 N 0.53 3.67 -0.24 4.42 2.96 0.41 -1.46 118.68 128.98 3i9m s LEU 238 Ca -0.04 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3i9m s LEU 238 Cb -0.05 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.67 3i9m s LEU 238 CO -0.02 0.03 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.31 3i9m s GLU 239 N 1.21 3.17 0.00 1.98 2.12 -0.13 -0.74 118.70 126.31 3i9m s GLU 239 Ca 0.05 -0.77 -0.21 0.00 0.36 0.00 0.00 54.97 54.40 3i9m s GLU 239 Cb -0.14 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 3i9m s GLU 239 CO 0.04 -0.29 0.61 0.00 -0.54 0.00 0.00 175.26 175.08 3i9m s ALA 240 N 1.43 3.47 -0.41 6.30 0.00 0.77 -1.02 121.76 132.30 3i9m s ALA 240 Ca 0.04 0.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 3i9m s ALA 240 Cb -0.15 -2.77 0.08 0.00 0.00 0.00 0.00 23.12 20.27 3i9m s ALA 240 CO -0.03 0.16 0.25 -1.58 0.00 0.00 0.00 175.76 174.56 3i9m s TRP 241 N -0.19 3.34 -0.40 0.00 0.51 0.18 -0.86 118.94 121.52 3i9m s TRP 241 Ca 0.32 -1.56 -0.24 0.00 -2.12 0.00 0.00 56.10 52.50 3i9m s TRP 241 Cb -0.18 -2.94 0.02 0.00 -0.81 0.00 0.00 33.47 29.56 3i9m s TRP 241 CO 0.18 -0.85 0.85 0.08 -0.51 0.00 0.00 176.95 176.70 3i9m s VAL 242 N 1.41 4.62 -0.35 4.03 1.01 0.27 -1.25 120.40 130.15 3i9m s VAL 242 Ca 0.03 0.84 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 3i9m s VAL 242 Cb -0.23 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.85 3i9m s VAL 242 CO 0.02 -0.60 0.75 -0.63 0.00 0.00 0.00 175.10 174.63 3i9m s ILE 243 N 3.38 4.78 0.17 2.22 -1.09 -0.65 -1.07 121.20 128.95 3i9m s ILE 243 Ca 0.34 0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 59.32 3i9m s ILE 243 Cb -0.12 -4.16 -0.08 0.00 -1.58 0.00 0.00 42.46 36.52 3i9m s ILE 243 CO 0.21 -0.37 1.15 -1.00 -1.23 0.00 0.00 174.94 173.69 3i9m s HIS 244 N 2.97 3.51 -0.02 3.97 3.76 -0.15 -0.42 115.29 128.91 3i9m s HIS 244 Ca 0.30 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.72 3i9m s HIS 244 Cb -0.14 -3.35 -0.01 0.00 1.11 0.00 0.00 32.58 30.19 3i9m s HIS 244 CO 0.16 -0.89 -0.02 0.41 -0.85 0.00 0.00 174.74 173.55 3i9m n GLY 245 N 2.16 -0.03 0.00 -2.22 0.00 -1.26 -4.62 105.19 99.22 3i9m n GLY 245 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i9m n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9m n GLY 246 N 3.36 -2.12 3.61 -0.02 0.00 -1.26 -4.98 105.19 103.77 3i9m n GLY 246 Ca -0.03 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 3i9m n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9m s ARG 247 N 0.00 4.01 0.31 1.61 3.52 -1.26 -5.03 118.95 122.11 3i9m s ARG 247 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.53 3i9m s ARG 247 Cb 0.00 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 3i9m s ARG 247 CO 0.00 -0.21 0.00 -1.91 -0.81 0.00 0.00 175.30 172.37 3i9m n GLU 248 N 5.11 -1.16 -1.39 5.12 4.07 -1.26 -4.81 120.64 126.32 3i9m n GLU 248 Ca -0.10 0.76 -0.48 0.00 -0.06 0.00 0.00 57.16 57.27 3i9m n GLU 248 Cb 0.51 -1.41 -0.14 0.00 -0.06 0.00 0.00 31.44 30.34 3i9m n GLU 248 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3i9m n ASP 249 N -2.27 0.48 -0.99 4.31 5.75 -1.26 -4.88 116.55 117.69 3i9m n ASP 249 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 3i9m n ASP 249 Cb 0.26 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 3i9m n ASP 249 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3i9m n SER 250 N 9.19 1.06 -4.96 -1.12 2.88 -1.26 -5.14 113.62 114.26 3i9m n SER 250 Ca 0.61 -0.49 -0.20 0.00 -1.33 0.00 0.00 58.87 57.46 3i9m n SER 250 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 3i9m n SER 250 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3i9m s ARG 251 N 0.00 2.53 -0.88 -1.46 3.00 -1.26 -5.01 118.95 115.86 3i9m s ARG 251 Ca 0.00 -1.07 -0.22 0.00 0.00 0.00 0.00 55.73 54.44 3i9m s ARG 251 Cb 0.00 -2.59 0.07 0.00 0.00 0.00 0.00 34.95 32.44 3i9m s ARG 251 CO 0.00 -0.65 1.24 0.34 0.00 0.00 0.00 175.30 176.23 3i9m s ASP 252 N -4.46 6.42 0.17 0.23 2.15 -1.26 -4.82 116.67 115.11 3i9m s ASP 252 Ca 0.58 -1.36 0.24 0.00 0.43 0.00 0.00 52.55 52.43 3i9m s ASP 252 Cb -0.09 -2.49 0.91 0.00 -0.30 0.00 0.00 42.92 40.94 3i9m s ASP 252 CO 0.37 -1.43 1.72 0.18 -0.17 0.00 0.00 175.17 175.85 3i9m n LEU 253 N 8.10 0.53 0.07 -1.34 4.77 -1.26 -1.46 117.00 126.40 3i9m n LEU 253 Ca 0.19 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.84 3i9m n LEU 253 Cb 0.49 -0.47 0.38 0.00 -2.33 0.00 0.00 43.42 41.48 3i9m n LEU 253 CO 0.62 -0.32 0.76 0.00 -1.33 0.00 0.00 177.39 177.12 3i9m n GLN 255 N -1.88 0.36 -1.62 0.00 1.13 -0.54 -4.62 117.38 110.21 3i9m n GLN 255 Ca 0.02 -0.23 -0.44 0.00 -1.94 0.00 0.00 57.00 54.41 3i9m n GLN 255 Cb 0.15 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 3i9m n GLN 255 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3i9m n ASP 256 N -1.12 1.74 0.28 1.08 -0.08 -0.73 -4.73 116.55 112.98 3i9m n ASP 256 Ca 0.08 1.18 0.13 0.00 -1.51 0.00 0.00 54.79 54.67 3i9m n ASP 256 Cb 0.35 -1.34 0.82 0.00 2.34 0.00 0.00 41.12 43.29 3i9m n ASP 256 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i9m h PRO 257 N 2.43 0.00 -0.00 -0.67 0.13 -1.93 -0.51 132.00 131.45 3i9m h PRO 257 Ca -0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.60 3i9m h PRO 257 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 3i9m h PRO 257 CO 0.63 0.00 -0.55 1.79 -0.23 0.00 0.00 178.00 179.65 3i9m h THR 258 N 0.00 1.39 -0.32 1.56 1.35 -1.89 -0.31 112.91 114.69 3i9m h THR 258 Ca 0.01 -1.87 -0.18 0.00 -0.55 0.00 0.00 66.41 63.82 3i9m h THR 258 Cb 0.04 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3i9m h THR 258 CO -0.00 0.54 -0.50 0.40 -0.25 0.00 0.00 175.52 175.70 3i9m h ILE 259 N 0.00 1.27 -0.33 6.82 1.08 -1.46 -1.43 117.51 123.48 3i9m h ILE 259 Ca -0.01 -1.68 -0.08 0.00 -0.39 0.00 0.00 64.86 62.71 3i9m h ILE 259 Cb 0.97 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 36.25 3i9m h ILE 259 CO 0.07 0.55 -0.12 0.11 -0.69 0.00 0.00 178.15 178.08 3i9m h LYS 260 N 0.70 0.56 -0.04 2.37 1.79 -1.01 -1.04 116.57 119.91 3i9m h LYS 260 Ca 0.03 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3i9m h LYS 260 Cb 1.11 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 3i9m h LYS 260 CO 0.12 0.67 0.02 1.49 -1.08 0.00 0.00 179.45 180.67 3i9m h GLU 261 N 0.52 0.05 0.03 3.15 4.81 -0.95 0.24 114.58 122.42 3i9m h GLU 261 Ca 0.09 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3i9m h GLU 261 Cb 0.51 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3i9m h GLU 261 CO 0.03 0.03 -0.29 1.25 -0.73 0.00 0.00 179.01 179.30 3i9m h LEU 262 N 0.05 -0.86 -0.84 1.64 5.85 -0.91 0.43 115.31 120.67 3i9m h LEU 262 Ca 0.02 0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.98 3i9m h LEU 262 Cb -0.00 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 3i9m h LEU 262 CO -0.01 -0.36 0.44 -0.08 -0.34 0.00 0.00 178.44 178.09 3i9m h GLU 263 N -0.46 0.64 -0.05 1.25 4.81 -1.09 -0.76 114.58 118.92 3i9m h GLU 263 Ca 0.05 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3i9m h GLU 263 Cb 0.53 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3i9m h GLU 263 CO -0.23 0.42 0.03 1.03 -0.73 0.00 0.00 179.01 179.54 3i9m h SER 264 N 0.66 0.07 -0.18 1.04 0.87 0.82 0.26 113.55 117.09 3i9m h SER 264 Ca 0.44 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.97 3i9m h SER 264 Cb 0.57 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 3i9m h SER 264 CO -0.33 0.12 -0.06 0.40 -0.53 0.00 0.00 176.83 176.43 3i9m h ILE 265 N 0.01 0.79 0.00 2.23 2.04 0.71 -2.79 117.51 120.51 3i9m h ILE 265 Ca 0.02 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.75 3i9m h ILE 265 Cb 0.06 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3i9m h ILE 265 CO -0.00 0.00 -0.60 0.16 0.00 0.00 0.00 178.15 177.71 3i9m h ILE 266 N -0.02 1.11 -0.03 -0.67 3.07 -1.04 -3.06 117.51 116.87 3i9m h ILE 266 Ca 0.09 -2.35 0.03 0.00 1.55 0.00 0.00 64.86 64.18 3i9m h ILE 266 Cb 0.16 2.40 -0.04 0.00 -0.27 0.00 0.00 36.82 39.07 3i9m h ILE 266 CO -0.19 0.59 -0.17 0.28 -1.05 0.00 0.00 178.15 177.60 3i9m h SER 267 N 0.00 -0.52 0.03 2.16 0.02 -0.84 0.08 113.55 114.48 3i9m h SER 267 Ca -0.01 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3i9m h SER 267 Cb 1.35 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 3i9m h SER 267 CO 0.08 -0.23 -0.02 0.11 -1.14 0.00 0.00 176.83 175.63 3i9m h LYS 268 N -0.27 0.00 0.00 3.45 1.57 -1.47 0.41 116.57 120.25 3i9m h LYS 268 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3i9m h LYS 268 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3i9m h LYS 268 CO -0.19 0.02 0.00 0.54 -0.57 0.00 0.00 179.45 179.25 3i9m n ARG 269 N -4.16 0.93 -2.77 3.15 5.12 -0.55 -4.88 116.66 113.49 3i9m n ARG 269 Ca -0.03 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.74 3i9m n ARG 269 Cb 0.10 -1.27 0.02 0.00 -1.16 0.00 0.00 32.46 30.16 3i9m n ARG 269 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i9m n ASN 270 N -0.77 -4.73 -4.26 0.55 4.05 0.14 -4.55 115.26 105.69 3i9m n ASN 270 Ca 0.12 -0.20 -0.32 0.00 0.45 0.00 0.00 54.58 54.64 3i9m n ASN 270 Cb 0.06 -3.60 -0.16 0.00 1.23 0.00 0.00 39.78 37.30 3i9m n ASN 270 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3i9m s ILE 271 N -2.98 2.18 0.53 -1.44 1.01 -0.10 -4.92 121.20 115.49 3i9m s ILE 271 Ca 0.21 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 3i9m s ILE 271 Cb -0.09 -1.82 -0.07 0.00 0.01 0.00 0.00 42.46 40.49 3i9m s ILE 271 CO 0.25 0.56 1.10 -1.10 0.00 0.00 0.00 174.94 175.75 3i9m s GLN 272 N 0.08 3.49 0.04 2.79 -0.21 -0.07 -3.23 119.66 122.56 3i9m s GLN 272 Ca -0.10 1.51 0.09 0.00 0.02 0.00 0.00 55.36 56.88 3i9m s GLN 272 Cb -0.16 -2.03 -0.03 0.00 1.00 0.00 0.00 33.01 31.79 3i9m s GLN 272 CO 0.06 -0.72 -0.26 0.12 -2.12 0.00 0.00 175.29 172.37 3i9m s PHE 273 N -1.87 2.33 0.03 0.91 5.36 -1.26 -0.44 117.98 123.04 3i9m s PHE 273 Ca 0.71 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 56.27 3i9m s PHE 273 Cb -0.21 -1.40 -0.02 0.00 -0.34 0.00 0.00 43.02 41.04 3i9m s PHE 273 CO 0.25 0.12 -0.05 0.45 -1.46 0.00 0.00 175.22 174.52 3i9m s SER 274 N -1.19 0.53 0.01 6.13 0.15 0.08 -4.94 113.70 114.46 3i9m s SER 274 Ca 0.12 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.24 3i9m s SER 274 Cb -0.10 0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 3i9m s SER 274 CO 0.02 -0.26 -0.02 0.00 1.20 0.00 0.00 173.24 174.18 3i9m s LYS 276 N -0.58 0.42 0.09 0.00 1.02 -0.04 -4.95 119.74 115.71 3i9m s LYS 276 Ca -0.05 -0.22 -0.22 0.00 0.02 0.00 0.00 55.97 55.50 3i9m s LYS 276 Cb -0.04 -0.40 -0.07 0.00 -0.52 0.00 0.00 37.83 36.81 3i9m s LYS 276 CO -0.00 0.11 0.65 -0.80 -0.92 0.00 0.00 175.35 174.39 3i9m s ASN 277 N -0.21 7.17 -0.35 2.83 0.01 -1.26 -0.56 114.94 122.56 3i9m s ASN 277 Ca 0.01 1.38 0.03 0.00 -0.71 0.00 0.00 52.86 53.58 3i9m s ASN 277 Cb -0.02 -2.41 0.10 0.00 0.41 0.00 0.00 41.25 39.32 3i9m s ASN 277 CO -0.00 0.21 0.08 -0.63 -1.51 0.00 0.00 177.10 175.24 3i9m s ILE 278 N -0.89 2.43 0.06 0.60 1.01 -0.23 -4.89 121.20 119.28 3i9m s ILE 278 Ca 0.32 -2.34 -0.16 0.00 0.00 0.00 0.00 60.65 58.47 3i9m s ILE 278 Cb -0.21 -2.77 -0.21 0.00 0.01 0.00 0.00 42.46 39.29 3i9m s ILE 278 CO 0.21 -0.62 1.20 1.88 0.00 0.00 0.00 174.94 177.61 3i9m h TYR 279 N 7.64 0.87 -3.27 3.97 0.05 -1.90 -0.38 116.97 123.94 3i9m h TYR 279 Ca -0.05 -0.43 -0.63 0.00 0.05 0.00 0.00 58.73 57.66 3i9m h TYR 279 Cb 1.02 -0.11 -0.41 0.00 1.01 0.00 0.00 36.73 38.23 3i9m h TYR 279 CO 0.47 1.25 -0.63 1.03 -1.05 0.00 0.00 178.16 179.24 3i9m s ARG 280 N -3.46 2.03 0.23 4.88 0.52 -1.26 -4.62 118.95 117.27 3i9m s ARG 280 Ca -0.11 -2.74 -0.09 0.00 -0.52 0.00 0.00 55.73 52.27 3i9m s ARG 280 Cb 0.06 -3.25 0.36 0.00 0.52 0.00 0.00 34.95 32.65 3i9m s ARG 280 CO 0.87 -1.16 1.66 -1.35 0.02 0.00 0.00 175.30 175.35 3i9m h PRO 281 N 6.25 0.14 -0.25 3.54 0.11 -1.82 0.43 132.00 140.40 3i9m h PRO 281 Ca -0.02 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.13 3i9m h PRO 281 Cb 0.86 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 3i9m h PRO 281 CO 0.68 0.09 -0.03 0.38 -0.21 0.00 0.00 178.00 178.91 3i9m h ASP 282 N 0.15 -0.17 -0.33 -2.05 2.03 -1.96 -0.74 116.42 113.34 3i9m h ASP 282 Ca 0.36 0.07 -0.05 0.00 -0.73 0.00 0.00 57.03 56.68 3i9m h ASP 282 Cb 0.61 0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.23 3i9m h ASP 282 CO -0.56 -0.05 0.03 0.50 -1.03 0.00 0.00 179.24 178.13 3i9m h LYS 283 N 0.03 0.57 -0.45 4.15 3.64 -1.68 -3.10 116.57 119.73 3i9m h LYS 283 Ca 0.12 -0.17 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3i9m h LYS 283 Cb 0.17 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 31.83 3i9m h LYS 283 CO -0.23 0.67 -0.34 0.35 -2.27 0.00 0.00 179.45 177.62 3i9m h PHE 284 N 0.39 -0.97 -0.74 1.91 3.57 0.24 -0.40 116.94 120.94 3i9m h PHE 284 Ca 0.10 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.72 3i9m h PHE 284 Cb 0.39 0.49 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 3i9m h PHE 284 CO 0.03 -0.39 0.49 -0.07 -2.23 0.00 0.00 178.31 176.14 3i9m h LEU 285 N -0.24 0.71 -0.34 0.59 3.38 -1.17 -1.42 115.31 116.82 3i9m h LEU 285 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3i9m h LEU 285 Cb 0.55 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3i9m h LEU 285 CO -0.58 0.47 -0.05 -0.61 0.09 0.00 0.00 178.44 177.76 3i9m h GLN 286 N 0.82 0.63 -0.56 1.13 -0.00 -1.08 -1.68 115.11 114.37 3i9m h GLN 286 Ca 0.32 -0.23 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 3i9m h GLN 286 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.61 3i9m h GLN 286 CO -0.10 0.78 0.35 0.00 0.00 0.00 0.00 178.83 179.86 3i9m h VAL 288 N 0.76 1.28 -0.21 0.00 2.07 -1.00 -2.66 116.25 116.48 3i9m h VAL 288 Ca 0.20 -1.35 -0.16 0.00 0.82 0.00 0.00 66.70 66.22 3i9m h VAL 288 Cb -0.06 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3i9m h VAL 288 CO -0.04 0.42 -0.51 0.11 0.02 0.00 0.00 177.57 177.57 3i9m h LYS 289 N 0.39 0.59 -2.72 1.57 1.57 -0.34 -3.39 116.57 114.23 3i9m h LYS 289 Ca 0.05 -0.35 -0.61 0.00 -1.87 0.00 0.00 60.65 57.87 3i9m h LYS 289 Cb 0.72 0.03 -0.42 0.00 0.08 0.00 0.00 32.23 32.65 3i9m h LYS 289 CO 0.06 0.96 -0.58 0.09 -0.57 0.00 0.00 179.45 179.40 3i9m n ASN 290 N -3.98 3.32 0.00 0.86 3.02 0.10 -5.07 115.26 113.52 3i9m n ASN 290 Ca -0.03 -3.31 0.00 0.00 -0.03 0.00 0.00 54.58 51.21 3i9m n ASN 290 Cb 0.58 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3i9m n ASN 290 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3i9m n PRO 291 N 1.51 0.00 -0.00 3.52 -0.02 -1.12 -3.62 135.00 135.26 3i9m n PRO 291 Ca 0.24 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.77 3i9m n PRO 291 Cb 0.37 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.78 3i9m n PRO 291 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i9m n GLU 292 N -0.15 1.00 0.00 -0.52 4.71 -1.26 -4.78 120.64 119.64 3i9m n GLU 292 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 3i9m n GLU 292 Cb 0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 3i9m n GLU 292 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3i9m n ASP 293 N -1.72 0.00 -4.56 1.62 2.03 -1.24 -4.51 116.55 108.18 3i9m n ASP 293 Ca -0.01 0.22 -0.27 0.00 0.52 0.00 0.00 54.79 55.24 3i9m n ASP 293 Cb 0.23 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.59 3i9m n ASP 293 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3i9m s SER 294 N -1.85 5.20 -1.24 1.67 1.04 -1.26 -4.07 113.70 113.19 3i9m s SER 294 Ca 0.00 -0.69 -0.07 0.00 0.48 0.00 0.00 55.95 55.68 3i9m s SER 294 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 3i9m s SER 294 CO 0.00 -2.69 0.38 -1.54 0.98 0.00 0.00 173.24 170.38 3i9m n SER 295 N 13.74 -3.96 -0.57 7.02 3.41 -1.26 -4.97 113.62 127.03 3i9m n SER 295 Ca 0.39 -0.23 0.14 0.00 -0.26 0.00 0.00 58.87 58.91 3i9m n SER 295 Cb 0.47 -3.29 0.45 0.00 -0.26 0.00 0.00 64.21 61.58 3i9m n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88