#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9n n TRP 46 N 0.00 0.00 -3.96 -0.14 2.14 -1.26 -4.89 117.44 109.33 3i9n n TRP 46 Ca 0.00 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.22 3i9n n TRP 46 Cb 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.41 3i9n n TRP 46 CO 0.00 0.00 0.00 -0.98 2.07 0.00 0.00 177.69 178.78 3i9n s ARG 47 N -2.13 3.93 0.28 -2.67 1.70 -1.26 -5.09 118.95 113.71 3i9n s ARG 47 Ca 0.10 -0.30 -0.09 0.00 -0.47 0.00 0.00 55.73 54.97 3i9n s ARG 47 Cb 0.12 -3.23 -0.07 0.00 -0.57 0.00 0.00 34.95 31.20 3i9n s ARG 47 CO 0.50 0.34 0.60 -0.65 -1.08 0.00 0.00 175.30 175.02 3i9n s GLN 48 N 0.18 3.76 0.12 3.89 -0.21 -1.26 -4.99 119.66 121.16 3i9n s GLN 48 Ca 0.06 0.26 -0.09 0.00 0.02 0.00 0.00 55.36 55.61 3i9n s GLN 48 Cb -0.12 -2.59 -0.10 0.00 1.00 0.00 0.00 33.01 31.20 3i9n s GLN 48 CO 0.00 0.22 1.32 1.15 -2.12 0.00 0.00 175.29 175.86 3i9n h THR 49 N 1.66 1.32 -2.41 -0.19 2.02 -1.97 -3.48 112.91 109.87 3i9n h THR 49 Ca -0.47 -2.13 -0.53 0.00 0.77 0.00 0.00 66.41 64.05 3i9n h THR 49 Cb 1.18 2.14 -0.14 0.00 -1.74 0.00 0.00 68.15 69.59 3i9n h THR 49 CO 0.67 0.66 -0.63 0.26 0.37 0.00 0.00 175.52 176.85 3i9n s TRP 50 N -3.58 2.14 -0.14 3.16 0.52 -1.26 -5.04 118.94 114.74 3i9n s TRP 50 Ca -0.08 -0.78 0.21 0.00 0.02 0.00 0.00 56.10 55.47 3i9n s TRP 50 Cb 0.09 -1.38 -0.16 0.00 -1.15 0.00 0.00 33.47 30.88 3i9n s TRP 50 CO 0.89 0.24 0.75 0.43 0.02 0.00 0.00 176.95 179.28 3i9n n SER 51 N -0.74 0.50 -4.94 2.95 7.64 -1.26 -4.67 113.62 113.10 3i9n n SER 51 Ca -0.04 0.20 -0.24 0.00 1.01 0.00 0.00 58.87 59.80 3i9n n SER 51 Cb 0.66 0.99 0.03 0.00 -1.01 0.00 0.00 64.21 64.87 3i9n n SER 51 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3i9n s GLY 52 N -4.55 1.64 0.59 0.23 0.00 0.04 -4.83 107.32 100.43 3i9n s GLY 52 Ca -0.04 -0.95 -0.19 0.00 0.00 0.00 0.00 44.72 43.54 3i9n s GLY 52 CO 0.84 -0.69 1.03 -1.05 0.00 0.00 0.00 173.10 173.23 3i9n n PRO 53 N -2.40 1.02 -1.05 2.90 -0.02 -1.26 -1.94 135.00 132.25 3i9n n PRO 53 Ca 0.04 0.39 -0.17 0.00 -2.02 0.00 0.00 63.50 61.75 3i9n n PRO 53 Cb 0.58 -2.22 0.12 0.00 -0.02 0.00 0.00 33.50 31.96 3i9n n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9n n GLY 54 N 1.20 -1.43 3.74 -1.23 0.00 -1.21 -2.21 105.19 104.05 3i9n n GLY 54 Ca 0.13 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3i9n n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i9n s THR 55 N -2.62 2.23 0.16 2.61 2.01 -0.40 -4.69 115.64 114.94 3i9n s THR 55 Ca 0.43 0.19 -0.34 0.00 0.31 0.00 0.00 61.69 62.28 3i9n s THR 55 Cb -0.01 -3.12 -0.16 0.00 0.01 0.00 0.00 72.50 69.22 3i9n s THR 55 CO 0.30 0.03 1.21 0.41 -0.69 0.00 0.00 174.62 175.88 3i9n n THR 56 N 2.51 0.70 -1.76 -0.82 -1.04 -0.53 -4.71 114.28 108.63 3i9n n THR 56 Ca 0.09 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 61.52 3i9n n THR 56 Cb 0.38 -0.86 0.01 0.00 -1.82 0.00 0.00 70.33 68.04 3i9n n THR 56 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3i9n n LYS 57 N 1.93 2.37 -3.03 -2.82 2.85 -1.26 -2.00 118.16 116.20 3i9n n LYS 57 Ca 0.16 0.84 -0.22 0.00 -1.05 0.00 0.00 58.31 58.04 3i9n n LYS 57 Cb 0.24 -2.62 0.02 0.00 -0.65 0.00 0.00 35.03 32.02 3i9n n LYS 57 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3i9n n ARG 58 N 0.05 -4.24 0.02 -1.58 1.74 -1.26 -4.91 116.66 106.48 3i9n n ARG 58 Ca 0.04 0.81 -0.11 0.00 -0.77 0.00 0.00 57.85 57.81 3i9n n ARG 58 Cb 0.40 -5.61 -0.05 0.00 -1.02 0.00 0.00 32.46 26.18 3i9n n ARG 58 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3i9n h PHE 59 N -1.14 -0.96 -0.03 -1.55 3.57 -1.77 0.16 116.94 115.22 3i9n h PHE 59 Ca -0.50 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.08 3i9n h PHE 59 Cb 1.34 0.44 -0.06 0.00 2.79 0.00 0.00 35.95 40.46 3i9n h PHE 59 CO 0.57 -0.42 -0.41 -1.35 -2.23 0.00 0.00 178.31 174.47 3i9n h PRO 60 N -0.44 -0.53 -0.80 6.41 0.11 -1.91 0.72 132.00 135.57 3i9n h PRO 60 Ca 0.08 0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.31 3i9n h PRO 60 Cb 0.57 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.73 3i9n h PRO 60 CO -0.34 -0.35 0.46 0.93 -0.21 0.00 0.00 178.00 178.48 3i9n h GLU 61 N -0.55 0.77 -0.36 1.05 3.07 -1.94 -2.68 114.58 113.94 3i9n h GLU 61 Ca 0.06 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3i9n h GLU 61 Cb 0.64 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3i9n h GLU 61 CO -0.33 0.51 -0.06 1.15 -1.40 0.00 0.00 179.01 178.87 3i9n h THR 62 N 0.79 1.27 -0.36 1.13 2.02 -0.05 -1.46 112.91 116.26 3i9n h THR 62 Ca 0.38 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 3i9n h THR 62 Cb 0.31 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3i9n h THR 62 CO -0.23 0.37 -0.06 0.58 0.37 0.00 0.00 175.52 176.55 3i9n h VAL 63 N 0.49 1.27 -0.39 3.16 2.07 -0.73 -0.24 116.25 121.88 3i9n h VAL 63 Ca 0.09 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3i9n h VAL 63 Cb 0.56 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3i9n h VAL 63 CO 0.03 0.36 0.18 0.25 0.02 0.00 0.00 177.57 178.41 3i9n h LEU 64 N 0.47 0.52 -0.46 2.57 5.85 -1.46 -1.87 115.31 120.93 3i9n h LEU 64 Ca 0.09 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3i9n h LEU 64 Cb 0.56 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3i9n h LEU 64 CO 0.03 0.52 0.27 0.00 -0.34 0.00 0.00 178.44 178.92 3i9n h ALA 65 N 1.02 0.58 0.00 1.25 0.00 -1.14 -1.94 119.26 119.03 3i9n h ALA 65 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3i9n h ALA 65 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i9n h ALA 65 CO -0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.02 3i9n h ARG 66 N 0.54 0.00 0.13 0.00 3.08 -0.81 -0.44 114.38 116.88 3i9n h ARG 66 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3i9n h ARG 66 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3i9n h ARG 66 CO -0.08 0.17 -0.06 0.00 -1.07 0.00 0.00 179.97 178.93 3i9n h VAL 68 N -0.86 0.23 -0.31 0.00 2.07 -1.14 -1.91 116.25 114.33 3i9n h VAL 68 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3i9n h VAL 68 Cb 0.54 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3i9n h VAL 68 CO 0.03 0.00 0.01 0.50 0.02 0.00 0.00 177.57 178.13 3i9n h LYS 69 N -0.12 0.10 -0.64 1.57 3.64 -1.13 -2.70 116.57 117.28 3i9n h LYS 69 Ca 0.25 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3i9n h LYS 69 Cb 0.53 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3i9n h LYS 69 CO -0.66 0.06 0.29 -0.92 -2.27 0.00 0.00 179.45 175.95 3i9n h TYR 70 N 0.10 0.92 0.00 1.91 3.20 -0.83 0.18 116.97 122.45 3i9n h TYR 70 Ca 0.15 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3i9n h TYR 70 Cb 0.20 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3i9n h TYR 70 CO -0.22 0.69 0.00 1.79 -1.64 0.00 0.00 178.16 178.78 3i9n h THR 71 N 0.92 0.00 0.00 1.81 1.35 -1.08 0.14 112.91 116.05 3i9n h THR 71 Ca 0.22 -0.27 -0.11 0.00 -0.55 0.00 0.00 66.41 65.70 3i9n h THR 71 Cb 0.13 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.71 3i9n h THR 71 CO -0.03 0.00 -0.64 -0.33 -0.25 0.00 0.00 175.52 174.27 3i9n h GLU 72 N 0.00 0.00 0.00 4.72 5.08 -0.40 -3.33 114.58 120.66 3i9n h GLU 72 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i9n h GLU 72 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3i9n h GLU 72 CO 0.00 0.88 -0.02 0.82 -1.00 0.00 0.00 179.01 179.69 3i9n h ILE 73 N -1.00 0.99 -3.05 3.13 2.04 -1.05 -3.37 117.51 115.20 3i9n h ILE 73 Ca -0.17 -0.06 -0.61 0.00 1.00 0.00 0.00 64.86 65.02 3i9n h ILE 73 Cb 1.06 1.03 -0.40 0.00 -0.74 0.00 0.00 36.82 37.77 3i9n h ILE 73 CO -0.10 0.02 -0.73 -1.00 0.00 0.00 0.00 178.15 176.34 3i9n s HIS 74 N -5.01 2.13 0.39 1.37 3.76 0.49 -4.99 115.29 113.43 3i9n s HIS 74 Ca -0.05 -2.49 0.17 0.00 -0.15 0.00 0.00 55.06 52.54 3i9n s HIS 74 Cb 0.17 -2.00 1.06 0.00 1.11 0.00 0.00 32.58 32.92 3i9n s HIS 74 CO 0.67 -0.78 1.77 -1.35 -0.85 0.00 0.00 174.74 174.20 3i9n h PRO 75 N 6.77 0.42 0.00 8.40 0.11 -1.73 -2.37 132.00 143.59 3i9n h PRO 75 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3i9n h PRO 75 Cb 0.93 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3i9n h PRO 75 CO 0.50 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.72 3i9n n GLU 76 N -4.65 0.38 -0.02 1.05 0.00 -1.26 -1.72 120.64 114.43 3i9n n GLU 76 Ca 0.25 0.05 0.01 0.00 0.00 0.00 0.00 57.16 57.48 3i9n n GLU 76 Cb 0.84 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.80 3i9n n GLU 76 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3i9n n MET 77 N -1.10 0.72 0.28 3.44 2.81 -0.89 -4.71 117.12 117.67 3i9n n MET 77 Ca 0.10 -1.03 0.16 0.00 -1.81 0.00 0.00 57.70 55.12 3i9n n MET 77 Cb 0.08 -1.06 0.79 0.00 -0.71 0.00 0.00 33.22 32.32 3i9n n MET 77 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3i9n h ARG 78 N 0.52 0.00 0.00 0.03 2.43 -1.40 -1.62 114.38 114.35 3i9n h ARG 78 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i9n h ARG 78 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3i9n h ARG 78 CO 0.00 0.00 0.00 -2.39 -1.51 0.00 0.00 179.97 176.07 3i9n n HIS 79 N -3.06 0.71 -2.51 2.20 1.44 -1.26 -4.77 115.22 107.97 3i9n n HIS 79 Ca -0.00 0.26 -0.39 0.00 -2.01 0.00 0.00 57.72 55.58 3i9n n HIS 79 Cb 0.44 -0.93 -0.04 0.00 0.12 0.00 0.00 29.99 29.58 3i9n n HIS 79 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3i9n s VAL 80 N -3.24 3.59 -0.39 0.61 1.01 -0.61 -5.01 120.40 116.36 3i9n s VAL 80 Ca 0.06 1.46 -0.17 0.00 0.00 0.00 0.00 61.98 63.33 3i9n s VAL 80 Cb 0.10 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3i9n s VAL 80 CO 0.41 0.24 0.44 -0.62 0.00 0.00 0.00 175.10 175.58 3i9n s ASP 81 N -1.13 6.22 0.43 3.32 3.68 -1.26 -4.97 116.67 122.96 3i9n s ASP 81 Ca 0.49 -0.43 0.12 0.00 2.13 0.00 0.00 52.55 54.86 3i9n s ASP 81 Cb -0.28 -2.23 0.93 0.00 -1.45 0.00 0.00 42.92 39.89 3i9n s ASP 81 CO 0.36 -0.51 1.98 0.00 0.13 0.00 0.00 175.17 177.13 3i9n h GLN 83 N 0.13 0.13 0.06 0.00 5.75 -1.95 -2.16 115.11 117.08 3i9n h GLN 83 Ca 0.03 -0.07 -0.24 0.00 -0.15 0.00 0.00 58.65 58.22 3i9n h GLN 83 Cb 0.28 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3i9n h GLN 83 CO 0.02 0.60 -1.09 0.77 -2.65 0.00 0.00 178.83 176.48 3i9n h SER 84 N 0.10 0.28 0.30 -0.69 0.02 -1.82 -1.95 113.55 109.80 3i9n h SER 84 Ca 0.00 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 3i9n h SER 84 Cb 0.92 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 3i9n h SER 84 CO 0.07 1.19 -0.17 0.58 -1.14 0.00 0.00 176.83 177.36 3i9n h VAL 85 N 0.07 0.64 -0.37 2.27 2.07 -1.27 -0.35 116.25 119.32 3i9n h VAL 85 Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3i9n h VAL 85 Cb 1.81 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3i9n h VAL 85 CO 0.17 0.00 0.13 -0.25 0.02 0.00 0.00 177.57 177.64 3i9n h TRP 86 N -0.45 0.23 -0.46 1.57 -0.00 -1.39 0.32 115.95 115.77 3i9n h TRP 86 Ca -0.03 0.02 0.09 0.00 -0.00 0.00 0.00 58.89 58.96 3i9n h TRP 86 Cb 0.36 -0.05 -0.08 0.00 -0.00 0.00 0.00 29.16 29.40 3i9n h TRP 86 CO -0.08 0.09 -0.01 -0.44 -0.00 0.00 0.00 178.44 178.00 3i9n h ASP 87 N 0.28 -0.21 -0.63 2.65 3.32 -1.28 0.43 116.42 120.98 3i9n h ASP 87 Ca 0.17 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 3i9n h ASP 87 Cb 0.14 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3i9n h ASP 87 CO -0.17 -0.07 0.34 0.00 -1.72 0.00 0.00 179.24 177.62 3i9n h ALA 88 N 1.41 1.38 0.53 3.45 0.00 -0.61 0.81 119.26 126.23 3i9n h ALA 88 Ca 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3i9n h ALA 88 Cb 0.34 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i9n h ALA 88 CO -0.39 0.50 -0.25 0.35 0.00 0.00 0.00 179.25 179.45 3i9n h PHE 89 N 0.90 -0.66 -0.71 0.00 3.04 0.52 -2.60 116.94 117.44 3i9n h PHE 89 Ca 0.23 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.17 3i9n h PHE 89 Cb 0.04 0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 3i9n h PHE 89 CO 0.01 -0.37 0.47 -0.22 -2.02 0.00 0.00 178.31 176.17 3i9n h LYS 90 N -1.14 0.93 -0.05 1.11 3.64 -0.18 -0.74 116.57 120.14 3i9n h LYS 90 Ca -0.07 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3i9n h LYS 90 Cb 0.58 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3i9n h LYS 90 CO 0.12 0.61 0.04 0.78 -2.27 0.00 0.00 179.45 178.74 3i9n h GLY 91 N 0.95 0.00 1.80 5.01 0.00 -0.76 -0.35 103.07 109.72 3i9n h GLY 91 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 3i9n h GLY 91 CO -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.18 3i9n h ALA 92 N 1.96 1.27 0.00 3.60 0.00 -0.72 -3.38 119.26 121.98 3i9n h ALA 92 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3i9n h ALA 92 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i9n h ALA 92 CO -0.00 0.50 -0.72 1.97 0.00 0.00 0.00 179.25 181.00 3i9n n PHE 93 N -4.12 0.00 -1.97 0.00 1.16 -0.89 -4.79 117.46 106.85 3i9n n PHE 93 Ca -0.01 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.16 3i9n n PHE 93 Cb 0.40 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.25 3i9n n PHE 93 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3i9n s ILE 94 N -1.45 2.41 0.00 1.97 -1.09 -0.19 -2.58 121.20 120.26 3i9n s ILE 94 Ca 0.00 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 3i9n s ILE 94 Cb 0.00 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 3i9n s ILE 94 CO 0.00 0.10 0.00 -1.20 -1.23 0.00 0.00 174.94 172.61 3i9n n SER 95 N 0.71 0.00 -4.89 3.58 7.64 -1.03 -4.96 113.62 114.66 3i9n n SER 95 Ca 0.01 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.55 3i9n n SER 95 Cb 0.41 -0.88 -0.05 0.00 -1.01 0.00 0.00 64.21 62.67 3i9n n SER 95 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3i9n s LYS 96 N -0.29 3.50 0.23 1.43 1.02 -1.07 -1.15 119.74 123.42 3i9n s LYS 96 Ca 0.00 -0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.47 3i9n s LYS 96 Cb 0.00 -3.09 -0.11 0.00 -0.52 0.00 0.00 37.83 34.11 3i9n s LYS 96 CO 0.00 0.66 1.65 -1.58 -0.92 0.00 0.00 175.35 175.16 3i9n s HIS 97 N -1.31 2.89 -2.00 3.18 5.65 -1.26 -3.87 115.29 118.56 3i9n s HIS 97 Ca 0.27 0.56 0.15 0.00 0.25 0.00 0.00 55.06 56.29 3i9n s HIS 97 Cb -0.13 -4.07 0.92 0.00 -1.18 0.00 0.00 32.58 28.12 3i9n s HIS 97 CO 0.17 -3.88 1.55 -0.35 -0.65 0.00 0.00 174.74 171.58 3i9n n PRO 98 N 3.34 0.94 0.00 2.88 -0.04 -1.26 -1.41 135.00 139.45 3i9n n PRO 98 Ca 0.13 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 3i9n n PRO 98 Cb 0.37 -1.26 0.12 0.00 -0.04 0.00 0.00 33.50 32.69 3i9n n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9n n ASP 100 N -0.19 3.40 -4.78 0.00 8.00 -0.50 -4.38 116.55 118.10 3i9n n ASP 100 Ca 0.10 -2.93 -0.37 0.00 0.71 0.00 0.00 54.79 52.30 3i9n n ASP 100 Cb 0.43 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 3i9n n ASP 100 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i9n s ILE 101 N -2.65 3.44 0.23 0.53 -1.09 -0.90 -4.95 121.20 115.82 3i9n s ILE 101 Ca 0.37 1.10 0.08 0.00 -2.23 0.00 0.00 60.65 59.97 3i9n s ILE 101 Cb 0.30 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.56 3i9n s ILE 101 CO 0.08 0.01 -0.12 0.42 -1.23 0.00 0.00 174.94 174.09 3i9n s THR 102 N -1.59 1.76 0.35 2.92 -4.23 -1.26 -4.80 115.64 108.79 3i9n s THR 102 Ca 0.60 -2.20 0.04 0.00 -1.18 0.00 0.00 61.69 58.95 3i9n s THR 102 Cb -0.25 -2.18 0.28 0.00 1.34 0.00 0.00 72.50 71.69 3i9n s THR 102 CO 0.31 -0.50 1.97 -0.33 -0.54 0.00 0.00 174.62 175.54 3i9n h GLU 103 N 2.46 0.78 -0.23 3.99 5.08 -1.97 -0.74 114.58 123.95 3i9n h GLU 103 Ca -0.39 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3i9n h GLU 103 Cb 1.23 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3i9n h GLU 103 CO 0.63 0.52 0.16 0.93 -1.00 0.00 0.00 179.01 180.25 3i9n h GLU 104 N 0.80 0.03 -0.20 2.33 3.07 -1.99 -0.67 114.58 117.95 3i9n h GLU 104 Ca 0.29 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3i9n h GLU 104 Cb 0.15 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3i9n h GLU 104 CO -0.09 0.02 0.11 -0.44 -1.40 0.00 0.00 179.01 177.21 3i9n h ASP 105 N 0.03 0.24 -0.01 1.42 3.32 -1.46 -2.83 116.42 117.12 3i9n h ASP 105 Ca 0.11 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3i9n h ASP 105 Cb 0.39 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3i9n h ASP 105 CO -0.01 0.19 -0.05 -1.22 -1.72 0.00 0.00 179.24 176.44 3i9n n TYR 106 N -4.48 0.00 -0.32 4.55 4.02 -0.27 -4.25 117.16 116.41 3i9n n TYR 106 Ca -0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 3i9n n TYR 106 Cb 0.09 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.49 3i9n n TYR 106 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 3i9n h GLN 107 N 3.71 1.19 -0.29 -0.72 5.75 -1.41 0.79 115.11 124.13 3i9n h GLN 107 Ca 0.00 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.34 3i9n h GLN 107 Cb 0.82 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3i9n h GLN 107 CO 0.00 0.87 0.07 -1.35 -2.65 0.00 0.00 178.83 175.77 3i9n h PRO 108 N 1.20 0.42 -0.18 -2.39 0.11 -1.79 0.17 132.00 129.53 3i9n h PRO 108 Ca 0.30 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 3i9n h PRO 108 Cb 0.01 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 3i9n h PRO 108 CO -0.05 0.39 -0.28 1.25 -0.21 0.00 0.00 178.00 179.09 3i9n h LEU 109 N 0.41 0.56 -1.18 2.35 5.85 -1.53 -2.65 115.31 119.13 3i9n h LEU 109 Ca 0.10 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3i9n h LEU 109 Cb 0.16 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3i9n h LEU 109 CO -0.00 0.98 0.56 0.24 -0.34 0.00 0.00 178.44 179.88 3i9n h MET 110 N 0.16 1.02 0.25 1.25 2.86 -0.53 0.10 114.93 120.04 3i9n h MET 110 Ca 0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3i9n h MET 110 Cb 0.86 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3i9n h MET 110 CO 0.07 0.68 -0.12 -0.22 1.06 0.00 0.00 176.91 178.37 3i9n h LYS 111 N 1.05 -0.32 -0.87 1.72 3.64 -0.67 -1.51 116.57 119.61 3i9n h LYS 111 Ca 0.35 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.91 3i9n h LYS 111 Cb 0.06 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.85 3i9n h LYS 111 CO -0.11 -0.04 0.45 -0.07 -2.27 0.00 0.00 179.45 177.41 3i9n h LEU 112 N -0.60 0.52 -0.75 5.20 3.38 -1.28 -1.92 115.31 119.86 3i9n h LEU 112 Ca -0.03 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i9n h LEU 112 Cb 0.43 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i9n h LEU 112 CO 0.06 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.39 3i9n n GLY 113 N -1.33 -0.08 3.59 0.83 0.00 0.35 -4.94 105.19 103.60 3i9n n GLY 113 Ca 0.18 -0.27 -0.55 0.00 0.00 0.00 0.00 46.02 45.38 3i9n n GLY 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9n n THR 114 N 0.02 0.03 -3.68 2.61 -1.04 -0.58 -4.76 114.28 106.90 3i9n n THR 114 Ca 0.11 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.99 3i9n n THR 114 Cb 0.21 -0.65 -0.09 0.00 -1.82 0.00 0.00 70.33 67.99 3i9n n THR 114 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3i9n s GLN 115 N 0.81 0.64 -0.21 -2.82 0.74 -1.26 -5.10 119.66 112.45 3i9n s GLN 115 Ca 0.88 0.85 -0.04 0.00 0.05 0.00 0.00 55.36 57.11 3i9n s GLN 115 Cb -1.07 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 33.29 3i9n s GLN 115 CO 0.53 -0.10 -0.02 0.99 -0.55 0.00 0.00 175.29 176.14 3i9n s THR 116 N 0.61 3.66 0.14 -0.34 2.01 -1.26 -5.09 115.64 115.37 3i9n s THR 116 Ca -0.02 -0.40 0.10 0.00 0.31 0.00 0.00 61.69 61.67 3i9n s THR 116 Cb -0.05 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 3i9n s THR 116 CO -0.04 0.42 -0.22 0.68 -0.69 0.00 0.00 174.62 174.77 3i9n s VAL 117 N 1.25 1.99 -0.16 3.82 -7.23 -1.26 -5.04 120.40 113.76 3i9n s VAL 117 Ca 0.03 -1.77 -0.34 0.00 -1.81 0.00 0.00 61.98 58.10 3i9n s VAL 117 Cb -0.14 -1.83 -0.11 0.00 0.56 0.00 0.00 36.38 34.85 3i9n s VAL 117 CO -0.00 -0.09 1.98 -2.65 -0.31 0.00 0.00 175.10 174.03 3i9n n PRO 118 N 0.72 1.90 0.00 4.82 -0.02 -1.26 -4.73 135.00 136.42 3i9n n PRO 118 Ca -0.16 0.65 0.08 0.00 -2.02 0.00 0.00 63.50 62.05 3i9n n PRO 118 Cb 0.55 -2.66 0.35 0.00 -0.02 0.00 0.00 33.50 31.72 3i9n n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9n n ASN 120 N -1.49 3.87 -0.82 0.00 6.94 -1.26 -0.99 115.26 121.52 3i9n n ASN 120 Ca 0.04 -2.05 0.02 0.00 -0.02 0.00 0.00 54.58 52.57 3i9n n ASN 120 Cb 0.19 -0.48 0.18 0.00 -2.36 0.00 0.00 39.78 37.30 3i9n n ASN 120 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3i9n n LYS 121 N 1.51 1.77 -3.34 -3.83 4.76 -0.69 -4.71 118.16 113.63 3i9n n LYS 121 Ca 0.24 -3.36 -0.38 0.00 -2.87 0.00 0.00 58.31 51.94 3i9n n LYS 121 Cb 0.63 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 32.12 3i9n n LYS 121 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i9n s ILE 122 N -3.28 5.20 -0.25 -0.18 1.01 -1.26 -0.97 121.20 121.47 3i9n s ILE 122 Ca 0.39 0.91 -0.05 0.00 0.00 0.00 0.00 60.65 61.90 3i9n s ILE 122 Cb 0.38 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 3i9n s ILE 122 CO -0.06 0.33 0.01 -0.22 0.00 0.00 0.00 174.94 175.00 3i9n s LEU 123 N 0.61 3.28 0.48 2.97 2.96 0.77 -2.54 118.68 127.20 3i9n s LEU 123 Ca 0.25 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3i9n s LEU 123 Cb -0.15 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.75 3i9n s LEU 123 CO 0.10 -0.07 0.67 -0.76 -1.32 0.00 0.00 176.35 174.96 3i9n s LEU 124 N 1.50 3.51 0.02 -0.68 1.43 0.14 -4.16 118.68 120.45 3i9n s LEU 124 Ca 0.05 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 3i9n s LEU 124 Cb -0.15 -2.85 0.07 0.00 0.03 0.00 0.00 46.19 43.28 3i9n s LEU 124 CO -0.00 -0.89 0.62 -1.66 0.23 0.00 0.00 176.35 174.64 3i9n s TRP 125 N -2.56 -0.57 -0.13 0.29 1.48 -1.26 -0.98 118.94 115.22 3i9n s TRP 125 Ca 0.54 0.78 -0.03 0.00 -1.06 0.00 0.00 56.10 56.32 3i9n s TRP 125 Cb -0.10 0.43 0.05 0.00 -1.16 0.00 0.00 33.47 32.69 3i9n s TRP 125 CO 0.36 -0.67 0.06 0.45 -4.06 0.00 0.00 176.95 173.08 3i9n s SER 126 N -1.75 2.06 -1.59 -2.66 0.15 -0.52 -4.75 113.70 104.64 3i9n s SER 126 Ca -0.07 -0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.03 3i9n s SER 126 Cb -0.01 -0.33 0.11 0.00 -1.71 0.00 0.00 66.02 64.08 3i9n s SER 126 CO 0.02 -0.29 0.88 0.54 1.20 0.00 0.00 173.24 175.59 3i9n n ARG 127 N 5.21 -4.52 -2.77 5.44 3.00 -1.26 -4.03 116.66 117.73 3i9n n ARG 127 Ca -0.07 0.50 -0.10 0.00 -0.01 0.00 0.00 57.85 58.18 3i9n n ARG 127 Cb 0.49 -5.29 0.05 0.00 0.00 0.00 0.00 32.46 27.71 3i9n n ARG 127 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3i9n n ILE 128 N -4.55 0.39 -0.12 0.55 3.06 -1.26 -4.57 119.36 112.86 3i9n n ILE 128 Ca 0.03 -2.70 -0.05 0.00 -2.50 0.00 0.00 62.75 57.53 3i9n n ILE 128 Cb 0.52 0.70 0.14 0.00 0.54 0.00 0.00 39.64 41.54 3i9n n ILE 128 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i9n h LYS 129 N 2.72 0.82 -0.33 9.51 3.64 -1.96 -2.94 116.57 128.02 3i9n h LYS 129 Ca -0.12 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 58.94 3i9n h LYS 129 Cb 1.17 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3i9n h LYS 129 CO 0.30 0.84 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.73 3i9n h ASP 130 N 0.76 0.71 0.64 4.20 5.19 -2.00 -2.95 116.42 122.97 3i9n h ASP 130 Ca 0.14 -0.40 -0.22 0.00 -0.62 0.00 0.00 57.03 55.93 3i9n h ASP 130 Cb 0.49 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3i9n h ASP 130 CO 0.02 0.95 -0.97 0.25 -3.12 0.00 0.00 179.24 176.37 3i9n h LEU 131 N 0.46 0.27 -1.14 1.55 6.46 -1.98 -0.30 115.31 120.64 3i9n h LEU 131 Ca 0.08 -0.24 0.05 0.00 -0.12 0.00 0.00 57.88 57.64 3i9n h LEU 131 Cb 0.68 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.47 3i9n h LEU 131 CO 0.05 1.09 0.59 0.00 -0.62 0.00 0.00 178.44 179.55 3i9n h ALA 132 N 0.88 1.47 0.03 1.25 0.00 -1.52 0.29 119.26 121.67 3i9n h ALA 132 Ca -0.06 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 3i9n h ALA 132 Cb 1.64 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3i9n h ALA 132 CO 0.15 0.41 -1.47 0.45 0.00 0.00 0.00 179.25 178.80 3i9n h HIS 133 N 1.07 0.12 -0.89 0.00 3.86 -1.34 -2.34 115.15 115.64 3i9n h HIS 133 Ca 0.37 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.51 3i9n h HIS 133 Cb 0.11 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.53 3i9n h HIS 133 CO -0.00 1.12 0.59 1.96 0.86 0.00 0.00 177.93 182.46 3i9n h GLN 134 N 0.02 1.16 -0.17 2.45 4.20 -0.65 -0.60 115.11 121.52 3i9n h GLN 134 Ca -0.20 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 3i9n h GLN 134 Cb 1.94 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 29.45 3i9n h GLN 134 CO 0.11 0.77 0.11 0.35 -0.67 0.00 0.00 178.83 179.50 3i9n h PHE 135 N 1.19 0.22 0.00 2.96 3.04 -0.34 -2.33 116.94 121.69 3i9n h PHE 135 Ca 0.33 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.28 3i9n h PHE 135 Cb -0.12 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.31 3i9n h PHE 135 CO -0.01 0.18 0.00 0.25 -2.02 0.00 0.00 178.31 176.71 3i9n n THR 136 N -4.94 0.61 -0.03 4.41 -2.24 -0.89 -0.98 114.28 110.22 3i9n n THR 136 Ca -0.04 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 3i9n n THR 136 Cb 0.05 -0.69 0.17 0.00 -2.10 0.00 0.00 70.33 67.76 3i9n n THR 136 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3i9n h GLN 137 N 0.00 0.61 0.00 -0.78 1.08 -0.56 -3.34 115.11 112.13 3i9n h GLN 137 Ca 0.00 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 3i9n h GLN 137 Cb 0.66 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 3i9n h GLN 137 CO 0.00 0.76 -0.14 0.28 -0.95 0.00 0.00 178.83 178.78 3i9n h VAL 138 N 0.55 0.00 -0.87 -0.54 2.07 -1.21 -3.41 116.25 112.84 3i9n h VAL 138 Ca 0.09 -0.70 -0.65 0.00 0.82 0.00 0.00 66.70 66.25 3i9n h VAL 138 Cb 0.62 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 3i9n h VAL 138 CO 0.04 0.00 2.06 -1.58 0.02 0.00 0.00 177.57 178.11 3i9n s GLN 139 N -1.58 3.86 0.00 1.57 2.00 -0.15 -4.72 119.66 120.65 3i9n s GLN 139 Ca -0.04 -1.84 0.15 0.00 -2.00 0.00 0.00 55.36 51.63 3i9n s GLN 139 Cb 0.01 -5.50 0.85 0.00 0.80 0.00 0.00 33.01 29.17 3i9n s GLN 139 CO 0.06 -2.34 1.31 0.54 -0.50 0.00 0.00 175.29 174.36 3i9n n ARG 140 N 8.46 0.42 0.15 1.67 5.12 -1.25 -2.04 116.66 129.19 3i9n n ARG 140 Ca 0.47 0.02 0.02 0.00 -1.93 0.00 0.00 57.85 56.43 3i9n n ARG 140 Cb 0.47 -1.50 0.37 0.00 -1.16 0.00 0.00 32.46 30.63 3i9n n ARG 140 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 3i9n h ASP 141 N 0.00 0.14 -3.62 0.55 3.58 -1.85 -3.46 116.42 111.75 3i9n h ASP 141 Ca 0.00 -0.04 -0.67 0.00 0.42 0.00 0.00 57.03 56.74 3i9n h ASP 141 Cb 0.02 -0.04 -0.17 0.00 1.72 0.00 0.00 39.33 40.87 3i9n h ASP 141 CO 0.00 0.40 -0.76 -0.04 -2.88 0.00 0.00 179.24 175.96 3i9n s MET 142 N -4.46 2.03 -0.04 0.28 -1.94 -0.86 -4.85 119.30 109.46 3i9n s MET 142 Ca -0.04 -1.06 0.06 0.00 -1.71 0.00 0.00 55.69 52.94 3i9n s MET 142 Cb 0.15 -2.25 -0.01 0.00 2.01 0.00 0.00 34.83 34.73 3i9n s MET 142 CO 0.73 0.50 -0.23 -0.06 -0.01 0.00 0.00 175.02 175.96 3i9n s PHE 143 N -1.18 2.17 0.47 -0.03 0.08 -0.14 -4.79 117.98 114.56 3i9n s PHE 143 Ca 0.20 -0.55 0.08 0.00 0.12 0.00 0.00 56.93 56.78 3i9n s PHE 143 Cb -0.11 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 3i9n s PHE 143 CO 0.12 -0.13 0.48 0.95 -0.10 0.00 0.00 175.22 176.53 3i9n s THR 144 N -0.28 2.41 0.38 0.64 -4.23 -1.26 -0.16 115.64 113.13 3i9n s THR 144 Ca 0.01 -1.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 3i9n s THR 144 Cb -0.11 -2.68 0.27 0.00 1.34 0.00 0.00 72.50 71.31 3i9n s THR 144 CO 0.02 0.00 2.03 0.25 -0.54 0.00 0.00 174.62 176.38 3i9n h LEU 145 N 0.78 0.62 0.00 4.79 5.85 -1.98 -0.94 115.31 124.43 3i9n h LEU 145 Ca -0.38 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3i9n h LEU 145 Cb 1.28 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3i9n h LEU 145 CO 0.53 0.45 0.00 -0.62 -0.34 0.00 0.00 178.44 178.46 3i9n n GLU 146 N -4.46 0.10 0.00 1.25 4.71 -1.26 -1.26 120.64 119.73 3i9n n GLU 146 Ca 0.05 0.21 0.12 0.00 -0.01 0.00 0.00 57.16 57.53 3i9n n GLU 146 Cb 0.05 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.18 3i9n n GLU 146 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i9n n ASP 147 N -1.39 1.18 -4.91 1.62 10.43 -0.36 -3.10 116.55 120.02 3i9n n ASP 147 Ca 0.05 -0.94 -0.28 0.00 2.57 0.00 0.00 54.79 56.19 3i9n n ASP 147 Cb 0.14 0.35 0.02 0.00 1.84 0.00 0.00 41.12 43.47 3i9n n ASP 147 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3i9n s THR 148 N -2.65 4.25 0.09 -3.53 -4.23 -0.39 -4.92 115.64 104.26 3i9n s THR 148 Ca 0.18 0.20 -0.28 0.00 -1.18 0.00 0.00 61.69 60.61 3i9n s THR 148 Cb 0.18 -3.66 -0.15 0.00 1.34 0.00 0.00 72.50 70.21 3i9n s THR 148 CO 0.61 -0.70 1.67 0.25 -0.54 0.00 0.00 174.62 175.92 3i9n h LEU 149 N -0.06 -0.46 -1.12 4.79 5.85 -1.90 0.47 115.31 122.89 3i9n h LEU 149 Ca -0.46 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3i9n h LEU 149 Cb 1.23 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 3i9n h LEU 149 CO 0.61 -0.30 0.48 -0.07 -0.34 0.00 0.00 178.44 178.82 3i9n h LEU 150 N -0.48 0.96 -0.49 2.25 3.38 -1.88 0.28 115.31 119.33 3i9n h LEU 150 Ca -0.03 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3i9n h LEU 150 Cb 0.39 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3i9n h LEU 150 CO 0.04 0.74 -0.66 1.23 0.09 0.00 0.00 178.44 179.88 3i9n h GLY 151 N 1.13 0.42 1.00 0.83 0.00 -1.54 -3.13 103.07 101.78 3i9n h GLY 151 Ca 0.29 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3i9n h GLY 151 CO -0.05 0.50 0.26 -1.82 0.00 0.00 0.00 176.54 175.42 3i9n h TYR 152 N 0.27 0.96 -0.74 5.60 5.03 -0.24 -0.47 116.97 127.38 3i9n h TYR 152 Ca -0.02 -0.07 0.08 0.00 2.58 0.00 0.00 58.73 61.31 3i9n h TYR 152 Cb 1.22 -0.29 -0.07 0.00 1.55 0.00 0.00 36.73 39.14 3i9n h TYR 152 CO 0.04 0.75 0.40 -0.07 -1.32 0.00 0.00 178.16 177.97 3i9n h LEU 153 N 0.89 0.57 0.00 2.82 3.38 -0.92 -3.26 115.31 118.79 3i9n h LEU 153 Ca 0.21 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3i9n h LEU 153 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3i9n h LEU 153 CO -0.02 0.34 -1.30 0.00 0.09 0.00 0.00 178.44 177.55 3i9n n ALA 154 N -2.38 2.63 -1.68 1.53 0.00 -0.83 -4.82 120.51 114.96 3i9n n ALA 154 Ca 0.11 -0.32 -0.53 0.00 0.00 0.00 0.00 53.44 52.70 3i9n n ALA 154 Cb 0.25 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 3i9n n ALA 154 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i9n n ASP 155 N -2.53 2.60 -0.16 0.00 4.64 -0.25 -0.92 116.55 119.94 3i9n n ASP 155 Ca -0.01 1.06 -0.02 0.00 -1.38 0.00 0.00 54.79 54.43 3i9n n ASP 155 Cb 0.55 -1.23 -0.01 0.00 -1.04 0.00 0.00 41.12 39.40 3i9n n ASP 155 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3i9n n ASP 156 N 5.14 -4.35 -4.88 1.67 8.00 -1.26 -5.01 116.55 115.86 3i9n n ASP 156 Ca 0.24 0.05 -0.21 0.00 0.71 0.00 0.00 54.79 55.57 3i9n n ASP 156 Cb 0.19 -2.03 -0.03 0.00 -0.02 0.00 0.00 41.12 39.23 3i9n n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i9n s LEU 157 N -0.46 3.97 0.02 0.64 1.43 -0.10 -5.05 118.68 119.13 3i9n s LEU 157 Ca 0.00 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 3i9n s LEU 157 Cb 0.00 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 3i9n s LEU 157 CO 0.00 -0.07 -0.11 -0.89 0.23 0.00 0.00 176.35 175.51 3i9n s THR 158 N -2.10 0.85 0.01 5.49 2.01 -1.26 -5.00 115.64 115.65 3i9n s THR 158 Ca 0.34 -0.76 -0.28 0.00 0.31 0.00 0.00 61.69 61.30 3i9n s THR 158 Cb -0.08 -0.77 0.07 0.00 0.01 0.00 0.00 72.50 71.72 3i9n s THR 158 CO 0.26 0.02 0.63 -1.66 -0.69 0.00 0.00 174.62 173.19 3i9n s TRP 159 N -0.68 -0.59 -0.14 4.92 -2.14 -1.26 -1.46 118.94 117.59 3i9n s TRP 159 Ca 0.00 0.83 -0.31 0.00 2.66 0.00 0.00 56.10 59.29 3i9n s TRP 159 Cb -0.06 0.43 0.13 0.00 -3.10 0.00 0.00 33.47 30.87 3i9n s TRP 159 CO 0.00 -0.67 1.08 0.00 -2.66 0.00 0.00 176.95 174.71 3i9n n GLY 161 N 0.17 3.67 3.05 0.00 0.00 -1.26 -1.64 105.19 109.18 3i9n n GLY 161 Ca -0.05 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 3i9n n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9n s GLU 162 N 2.80 0.20 -0.20 1.61 2.02 -1.23 -4.55 118.70 119.34 3i9n s GLU 162 Ca 0.00 0.25 -0.35 0.00 0.02 0.00 0.00 54.97 54.89 3i9n s GLU 162 Cb 0.00 0.08 -0.12 0.00 0.10 0.00 0.00 34.13 34.20 3i9n s GLU 162 CO 0.00 -0.03 1.96 0.34 0.02 0.00 0.00 175.26 177.55 3i9n n PHE 163 N 3.06 2.08 -0.81 1.61 7.35 -1.25 -2.24 117.46 127.27 3i9n n PHE 163 Ca -0.13 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 3i9n n PHE 163 Cb 0.58 -2.61 0.00 0.00 0.35 0.00 0.00 39.48 37.81 3i9n n PHE 163 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3i9n n ASP 164 N 7.64 -1.21 -4.76 -2.13 -0.08 -0.30 -4.95 116.55 110.76 3i9n n ASP 164 Ca 0.28 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.27 3i9n n ASP 164 Cb 0.26 -1.50 -0.07 0.00 2.34 0.00 0.00 41.12 42.16 3i9n n ASP 164 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3i9n s THR 165 N -2.19 4.40 -2.05 5.18 -1.32 -0.95 -4.97 115.64 113.74 3i9n s THR 165 Ca 0.00 -0.88 0.11 0.00 -1.21 0.00 0.00 61.69 59.71 3i9n s THR 165 Cb 0.00 -3.14 0.28 0.00 -1.51 0.00 0.00 72.50 68.14 3i9n s THR 165 CO 0.00 0.08 1.28 -1.54 -2.21 0.00 0.00 174.62 172.23 3i9n n SER 166 N 0.34 1.33 -4.83 8.08 3.41 -1.26 -2.48 113.62 118.21 3i9n n SER 166 Ca -0.09 -1.91 -0.35 0.00 -0.26 0.00 0.00 58.87 56.25 3i9n n SER 166 Cb 0.52 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 3i9n n SER 166 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i9n s LYS 167 N -1.70 4.10 0.30 4.33 1.02 -1.26 -4.82 119.74 121.70 3i9n s LYS 167 Ca 0.20 0.68 -0.20 0.00 0.02 0.00 0.00 55.97 56.67 3i9n s LYS 167 Cb 0.11 -2.84 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 3i9n s LYS 167 CO 0.15 0.40 0.81 0.42 -0.92 0.00 0.00 175.35 176.21 3i9n s ILE 168 N -1.56 4.48 -0.51 2.17 1.01 -1.26 -3.52 121.20 122.01 3i9n s ILE 168 Ca 0.42 1.38 -0.14 0.00 0.00 0.00 0.00 60.65 62.31 3i9n s ILE 168 Cb -0.15 -3.81 0.11 0.00 0.01 0.00 0.00 42.46 38.62 3i9n s ILE 168 CO 0.20 0.04 0.44 0.21 0.00 0.00 0.00 174.94 175.82 3i9n s ASN 169 N -1.84 6.07 0.00 3.58 3.84 -0.65 -4.89 114.94 121.04 3i9n s ASN 169 Ca 0.50 -1.68 0.29 0.00 0.21 0.00 0.00 52.86 52.17 3i9n s ASN 169 Cb -0.15 -2.16 1.24 0.00 -0.55 0.00 0.00 41.25 39.64 3i9n s ASN 169 CO 0.20 -0.76 1.85 -1.22 -2.79 0.00 0.00 177.10 174.38 3i9n n TYR 170 N 5.16 0.00 -0.05 0.43 4.02 -1.26 -1.28 117.16 124.18 3i9n n TYR 170 Ca -0.12 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.55 3i9n n TYR 170 Cb 0.41 -0.05 -0.13 0.00 -0.02 0.00 0.00 39.34 39.56 3i9n n TYR 170 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3i9n n GLN 171 N -0.39 0.66 -3.50 -0.72 6.02 -1.26 -4.12 117.38 114.07 3i9n n GLN 171 Ca 0.18 0.43 -0.15 0.00 -0.01 0.00 0.00 57.00 57.45 3i9n n GLN 171 Cb 0.29 -1.73 -0.05 0.00 1.02 0.00 0.00 30.24 29.77 3i9n n GLN 171 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i9n s SER 172 N -6.96 -0.58 0.06 1.08 1.04 -1.26 -3.36 113.70 103.71 3i9n s SER 172 Ca -0.26 0.46 -0.06 0.00 0.48 0.00 0.00 55.95 56.57 3i9n s SER 172 Cb 0.06 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 3i9n s SER 172 CO 0.67 -0.67 0.10 0.00 0.98 0.00 0.00 173.24 174.33 3i9n s PRO 174 N -3.34 4.17 0.00 0.00 0.02 -1.26 -0.78 135.00 133.81 3i9n s PRO 174 Ca 0.01 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 63.35 3i9n s PRO 174 Cb 0.03 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 31.48 3i9n s PRO 174 CO -0.08 -0.47 0.43 0.34 -0.33 0.00 0.00 177.00 176.89 3i9n s ASP 175 N -0.07 6.83 0.20 2.53 -1.08 -1.26 -4.60 116.67 119.23 3i9n s ASP 175 Ca 0.54 0.99 -0.08 0.00 -0.52 0.00 0.00 52.55 53.48 3i9n s ASP 175 Cb -0.45 -2.27 0.13 0.00 -1.46 0.00 0.00 42.92 38.87 3i9n s ASP 175 CO 0.57 0.29 1.73 -0.25 0.52 0.00 0.00 175.17 178.03 3i9n h TRP 176 N 4.85 1.20 0.19 -5.34 7.01 -1.94 -0.27 115.95 121.65 3i9n h TRP 176 Ca -0.50 -0.14 -0.25 0.00 2.11 0.00 0.00 58.89 60.11 3i9n h TRP 176 Cb 1.22 -0.34 0.03 0.00 -2.10 0.00 0.00 29.16 27.96 3i9n h TRP 176 CO 0.70 0.96 -1.10 -0.09 -2.79 0.00 0.00 178.44 176.12 3i9n h ARG 177 N 1.09 0.40 0.00 2.65 2.43 -1.94 -3.26 114.38 115.75 3i9n h ARG 177 Ca 0.23 -0.69 -0.17 0.00 -0.81 0.00 0.00 59.98 58.54 3i9n h ARG 177 Cb 0.35 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3i9n h ARG 177 CO -0.00 1.33 -0.99 0.87 -1.51 0.00 0.00 179.97 179.67 3i9n h LYS 178 N -0.15 0.00 0.00 0.20 1.57 -1.96 -3.42 116.57 112.81 3i9n h LYS 178 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3i9n h LYS 178 Cb 1.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.18 3i9n h LYS 178 CO 0.20 0.59 -0.13 -0.25 -0.57 0.00 0.00 179.45 179.29 3i9n n ASP 179 N -3.16 0.41 -3.62 0.86 8.00 -0.15 -4.98 116.55 113.90 3i9n n ASP 179 Ca -0.03 0.06 -0.04 0.00 0.71 0.00 0.00 54.79 55.48 3i9n n ASP 179 Cb 0.85 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 3i9n n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9n h SER 181 N 2.19 0.00 -1.38 0.00 4.64 -1.86 -3.37 113.55 113.78 3i9n h SER 181 Ca -0.11 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.55 3i9n h SER 181 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.09 3i9n h SER 181 CO 0.24 0.27 1.28 0.59 -0.87 0.00 0.00 176.83 178.35 3i9n n ASN 182 N -2.81 7.29 -4.99 4.97 3.02 -1.26 -4.45 115.26 117.03 3i9n n ASN 182 Ca -0.04 -3.33 -0.19 0.00 -0.03 0.00 0.00 54.58 50.99 3i9n n ASN 182 Cb 0.68 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 3i9n n ASN 182 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i9n s ASN 183 N -0.05 5.90 0.23 6.41 4.22 -1.24 -2.11 114.94 128.31 3i9n s ASN 183 Ca 0.54 -0.13 -0.06 0.00 -2.14 0.00 0.00 52.86 51.07 3i9n s ASN 183 Cb 0.29 -1.22 0.40 0.00 1.28 0.00 0.00 41.25 42.01 3i9n s ASN 183 CO -0.19 -0.52 1.73 -0.65 -2.04 0.00 0.00 177.10 175.43 3i9n h PRO 184 N 0.77 0.43 0.01 3.55 0.11 -1.82 -0.42 132.00 134.63 3i9n h PRO 184 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i9n h PRO 184 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i9n h PRO 184 CO 0.53 0.28 -0.01 0.28 -0.21 0.00 0.00 178.00 178.87 3i9n h VAL 185 N 0.44 1.47 -0.59 3.15 2.07 -1.96 -2.38 116.25 118.45 3i9n h VAL 185 Ca 0.38 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3i9n h VAL 185 Cb 0.55 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 3i9n h VAL 185 CO -0.37 0.38 0.38 0.28 0.02 0.00 0.00 177.57 178.26 3i9n h SER 186 N -0.67 0.68 -0.09 0.57 0.02 -1.82 -2.18 113.55 110.05 3i9n h SER 186 Ca -0.00 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 3i9n h SER 186 Cb 0.64 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3i9n h SER 186 CO 0.00 0.50 -0.26 0.58 -1.14 0.00 0.00 176.83 176.51 3i9n h VAL 187 N 0.79 1.27 -0.07 2.27 2.07 -1.15 -0.65 116.25 120.78 3i9n h VAL 187 Ca 0.21 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3i9n h VAL 187 Cb -0.08 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3i9n h VAL 187 CO -0.05 0.42 0.02 0.15 0.02 0.00 0.00 177.57 178.14 3i9n h PHE 188 N 0.47 0.12 -0.11 1.57 3.57 -1.15 -1.97 116.94 119.45 3i9n h PHE 188 Ca 0.07 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 3i9n h PHE 188 Cb 0.70 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3i9n h PHE 188 CO 0.03 0.28 -0.28 -1.49 -2.23 0.00 0.00 178.31 174.62 3i9n h TRP 189 N -0.07 0.23 -0.20 0.41 4.06 -1.16 -1.78 115.95 117.43 3i9n h TRP 189 Ca 0.02 -0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 3i9n h TRP 189 Cb 0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3i9n h TRP 189 CO -0.00 0.47 -0.02 -0.22 -3.56 0.00 0.00 178.44 175.11 3i9n h LYS 190 N 0.19 0.36 -0.40 0.49 3.64 -0.96 -1.18 116.57 118.71 3i9n h LYS 190 Ca 0.03 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3i9n h LYS 190 Cb 0.59 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3i9n h LYS 190 CO 0.04 0.58 0.11 1.15 -2.27 0.00 0.00 179.45 179.06 3i9n h THR 191 N 0.11 1.23 0.02 1.00 2.02 -1.14 -2.60 112.91 113.54 3i9n h THR 191 Ca 0.05 -0.76 -0.21 0.00 0.77 0.00 0.00 66.41 66.26 3i9n h THR 191 Cb 0.43 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3i9n h THR 191 CO 0.01 0.27 -0.94 -0.37 0.37 0.00 0.00 175.52 174.86 3i9n h VAL 192 N 0.51 1.52 -0.69 3.16 -1.51 -1.29 -2.86 116.25 115.09 3i9n h VAL 192 Ca 0.13 -2.78 -0.06 0.00 -1.23 0.00 0.00 66.70 62.76 3i9n h VAL 192 Cb 0.30 2.57 -0.03 0.00 -2.13 0.00 0.00 31.29 32.00 3i9n h VAL 192 CO -0.00 0.81 0.18 0.28 -1.23 0.00 0.00 177.57 177.61 3i9n h SER 193 N 0.09 1.02 0.03 4.19 0.02 -1.25 -0.92 113.55 116.74 3i9n h SER 193 Ca -0.05 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3i9n h SER 193 Cb 1.59 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3i9n h SER 193 CO 0.14 0.97 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.70 3i9n h ARG 194 N 1.04 -0.04 -0.34 3.45 2.43 -1.42 0.07 114.38 119.57 3i9n h ARG 194 Ca 0.22 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 3i9n h ARG 194 Cb 0.34 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3i9n h ARG 194 CO -0.00 0.04 0.03 0.00 -1.51 0.00 0.00 179.97 178.54 3i9n h ARG 195 N -0.12 0.51 0.01 0.20 3.08 -1.32 -0.22 114.38 116.52 3i9n h ARG 195 Ca -0.00 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3i9n h ARG 195 Cb 0.11 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3i9n h ARG 195 CO 0.01 0.51 -0.01 0.35 -1.07 0.00 0.00 179.97 179.76 3i9n h PHE 196 N 0.49 -0.02 -0.78 3.04 3.57 -1.03 -1.46 116.94 120.77 3i9n h PHE 196 Ca 0.11 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3i9n h PHE 196 Cb 0.27 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3i9n h PHE 196 CO 0.01 0.43 0.48 0.00 -2.23 0.00 0.00 178.31 177.00 3i9n h ALA 197 N 0.51 1.39 0.00 2.41 0.00 -0.87 -2.65 119.26 120.05 3i9n h ALA 197 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3i9n h ALA 197 Cb 0.45 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i9n h ALA 197 CO 0.00 0.54 -0.26 0.93 0.00 0.00 0.00 179.25 180.46 3i9n h GLU 198 N 1.06 0.00 -0.00 0.00 5.08 -0.85 -2.54 114.58 117.33 3i9n h GLU 198 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3i9n h GLU 198 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3i9n h GLU 198 CO -0.05 0.26 -0.35 0.00 -1.00 0.00 0.00 179.01 177.87 3i9n n ALA 199 N -2.35 3.20 -1.78 3.43 0.00 -0.56 -4.81 120.51 117.63 3i9n n ALA 199 Ca -0.01 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 3i9n n ALA 199 Cb 0.36 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 3i9n n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9n s ALA 200 N -2.93 2.78 0.16 0.00 0.00 -0.96 -4.71 121.76 116.11 3i9n s ALA 200 Ca 0.14 0.79 -0.09 0.00 0.00 0.00 0.00 51.96 52.80 3i9n s ALA 200 Cb 0.18 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 3i9n s ALA 200 CO 0.63 -0.64 0.29 0.00 0.00 0.00 0.00 175.76 176.04 3i9n n ASP 202 N -0.22 0.00 -4.57 0.00 -0.08 0.14 -4.08 116.55 107.74 3i9n n ASP 202 Ca -0.08 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.83 3i9n n ASP 202 Cb 0.63 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.98 3i9n n ASP 202 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3i9n s VAL 203 N 0.00 5.10 -0.14 5.18 1.01 -1.26 -0.17 120.40 130.11 3i9n s VAL 203 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3i9n s VAL 203 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 3i9n s VAL 203 CO 0.00 0.29 0.01 -0.69 0.00 0.00 0.00 175.10 174.71 3i9n s VAL 204 N 1.61 4.37 0.01 2.92 1.01 -0.49 -4.63 120.40 125.20 3i9n s VAL 204 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3i9n s VAL 204 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3i9n s VAL 204 CO 0.08 0.52 0.08 -1.00 0.00 0.00 0.00 175.10 174.78 3i9n s HIS 205 N -0.02 3.28 -0.08 5.22 3.76 -1.05 -0.43 115.29 125.95 3i9n s HIS 205 Ca 0.04 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 3i9n s HIS 205 Cb -0.13 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 31.86 3i9n s HIS 205 CO 0.02 0.55 -0.11 0.54 -0.85 0.00 0.00 174.74 174.88 3i9n s VAL 206 N -1.23 1.14 -0.09 -0.90 0.11 0.50 0.24 120.40 120.17 3i9n s VAL 206 Ca 0.24 -0.44 -0.18 0.00 -2.93 0.00 0.00 61.98 58.67 3i9n s VAL 206 Cb -0.12 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.61 3i9n s VAL 206 CO 0.15 0.37 0.46 -0.32 -3.33 0.00 0.00 175.10 172.43 3i9n s MET 207 N 0.97 4.27 0.06 1.54 1.75 -0.15 0.09 119.30 127.84 3i9n s MET 207 Ca -0.09 0.44 0.03 0.00 -1.25 0.00 0.00 55.69 54.83 3i9n s MET 207 Cb -0.15 -3.40 -0.03 0.00 2.84 0.00 0.00 34.83 34.10 3i9n s MET 207 CO -0.00 0.26 -0.10 -0.51 -0.65 0.00 0.00 175.02 174.02 3i9n s LEU 208 N 0.29 2.29 -0.41 4.11 1.43 -0.37 -1.44 118.68 124.57 3i9n s LEU 208 Ca 0.25 -0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 52.47 3i9n s LEU 208 Cb -0.15 -0.28 0.02 0.00 0.03 0.00 0.00 46.19 45.80 3i9n s LEU 208 CO 0.11 -0.18 0.99 -0.62 0.23 0.00 0.00 176.35 176.88 3i9n s ASP 209 N -1.76 6.64 0.18 2.29 -1.08 -1.26 -0.28 116.67 121.39 3i9n s ASP 209 Ca -0.05 0.47 0.21 0.00 -0.52 0.00 0.00 52.55 52.65 3i9n s ASP 209 Cb -0.09 -2.49 0.87 0.00 -1.46 0.00 0.00 42.92 39.75 3i9n s ASP 209 CO 0.01 -1.00 1.63 0.61 0.52 0.00 0.00 175.17 176.94 3i9n n GLY 210 N 4.59 -1.19 0.93 2.66 0.00 0.24 -2.31 105.19 110.11 3i9n n GLY 210 Ca 0.08 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3i9n n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i9n n SER 211 N -2.01 2.89 -4.76 1.61 3.41 -1.26 -4.84 113.62 108.67 3i9n n SER 211 Ca 0.03 -1.96 -0.35 0.00 -0.26 0.00 0.00 58.87 56.32 3i9n n SER 211 Cb 0.21 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.19 3i9n n SER 211 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i9n s ARG 212 N -2.00 3.02 0.12 4.33 1.81 -0.98 -4.95 118.95 120.30 3i9n s ARG 212 Ca 0.29 1.72 -0.17 0.00 -1.72 0.00 0.00 55.73 55.85 3i9n s ARG 212 Cb 0.20 -1.95 -0.03 0.00 -0.45 0.00 0.00 34.95 32.73 3i9n s ARG 212 CO 0.30 -1.14 1.68 1.03 -0.68 0.00 0.00 175.30 176.49 3i9n h SER 213 N 0.83 0.47 -3.82 0.23 0.87 -1.92 -3.35 113.55 106.86 3i9n h SER 213 Ca -0.50 -0.16 -0.70 0.00 -1.23 0.00 0.00 61.79 59.21 3i9n h SER 213 Cb 1.28 -0.12 -0.35 0.00 -0.44 0.00 0.00 62.40 62.78 3i9n h SER 213 CO 0.55 0.49 -0.44 -0.54 -0.53 0.00 0.00 176.83 176.37 3i9n s LYS 214 N -5.59 2.33 0.19 2.24 1.02 -1.26 -4.94 119.74 113.74 3i9n s LYS 214 Ca -0.13 -2.20 -0.10 0.00 0.02 0.00 0.00 55.97 53.56 3i9n s LYS 214 Cb 0.09 -3.69 0.12 0.00 -0.52 0.00 0.00 37.83 33.84 3i9n s LYS 214 CO 0.74 -1.13 1.76 0.82 -0.92 0.00 0.00 175.35 176.61 3i9n h ILE 215 N 5.76 1.25 -3.43 2.17 2.04 -1.81 -3.31 117.51 120.19 3i9n h ILE 215 Ca -0.07 -0.77 -0.66 0.00 1.00 0.00 0.00 64.86 64.36 3i9n h ILE 215 Cb 1.00 0.43 -0.28 0.00 -0.74 0.00 0.00 36.82 37.22 3i9n h ILE 215 CO 0.72 0.31 -0.72 0.12 0.00 0.00 0.00 178.15 178.57 3i9n s PHE 216 N -5.56 2.99 -0.39 1.37 5.36 -1.26 -4.48 117.98 116.01 3i9n s PHE 216 Ca -0.13 -1.06 -0.12 0.00 -0.96 0.00 0.00 56.93 54.67 3i9n s PHE 216 Cb 0.14 -2.11 0.03 0.00 -0.34 0.00 0.00 43.02 40.75 3i9n s PHE 216 CO 0.82 -0.59 0.23 0.34 -1.46 0.00 0.00 175.22 174.56 3i9n s ASP 217 N 1.45 5.79 0.46 6.13 -1.08 -1.25 -4.86 116.67 123.31 3i9n s ASP 217 Ca 0.04 -1.04 0.37 0.00 -0.52 0.00 0.00 52.55 51.40 3i9n s ASP 217 Cb -0.15 -2.04 1.49 0.00 -1.46 0.00 0.00 42.92 40.76 3i9n s ASP 217 CO -0.03 -0.42 1.47 1.17 0.52 0.00 0.00 175.17 177.89 3i9n n LYS 218 N 5.02 -0.02 0.00 4.34 4.81 -1.26 -1.21 118.16 129.84 3i9n n LYS 218 Ca -0.12 1.13 0.11 0.00 -0.87 0.00 0.00 58.31 58.57 3i9n n LYS 218 Cb 0.46 -2.35 0.06 0.00 0.02 0.00 0.00 35.03 33.22 3i9n n LYS 218 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3i9n n ASP 219 N -4.32 2.15 -4.72 3.14 8.00 -1.26 -3.21 116.55 116.34 3i9n n ASP 219 Ca 0.40 -1.57 -0.33 0.00 0.71 0.00 0.00 54.79 53.99 3i9n n ASP 219 Cb 1.64 0.34 0.11 0.00 -0.02 0.00 0.00 41.12 43.19 3i9n n ASP 219 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i9n s SER 220 N -2.37 3.95 0.45 -2.24 1.04 -0.35 -4.64 113.70 109.55 3i9n s SER 220 Ca 0.21 2.28 0.18 0.00 0.48 0.00 0.00 55.95 59.11 3i9n s SER 220 Cb 0.19 -2.58 1.13 0.00 0.10 0.00 0.00 66.02 64.86 3i9n s SER 220 CO 0.51 -2.42 1.92 0.74 0.98 0.00 0.00 173.24 174.97 3i9n h THR 221 N -0.69 0.75 -0.24 2.02 2.02 -1.93 0.33 112.91 115.18 3i9n h THR 221 Ca -0.46 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3i9n h THR 221 Cb 1.28 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3i9n h THR 221 CO 0.48 0.06 0.07 0.15 0.37 0.00 0.00 175.52 176.65 3i9n h PHE 222 N 0.33 0.40 -0.11 3.16 3.57 -1.90 -2.78 116.94 119.60 3i9n h PHE 222 Ca 0.37 -0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.63 3i9n h PHE 222 Cb 0.97 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 3i9n h PHE 222 CO -0.00 0.45 -0.72 0.78 -2.23 0.00 0.00 178.31 176.59 3i9n h GLY 223 N 0.22 0.60 -1.33 2.40 0.00 -1.14 -1.47 103.07 102.36 3i9n h GLY 223 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3i9n h GLY 223 CO -0.00 0.74 0.00 -1.14 0.00 0.00 0.00 176.54 176.13 3i9n n SER 224 N -3.88 2.59 0.00 0.19 3.41 0.97 -4.43 113.62 112.47 3i9n n SER 224 Ca -0.05 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 3i9n n SER 224 Cb 0.71 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3i9n n SER 224 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3i9n n VAL 225 N 0.78 0.00 -0.09 -3.33 0.31 -1.08 -4.85 118.33 110.07 3i9n n VAL 225 Ca 0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.21 3i9n n VAL 225 Cb 0.40 -0.08 -0.12 0.00 -0.91 0.00 0.00 33.84 33.13 3i9n n VAL 225 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i9n n GLU 226 N -1.56 0.60 -0.31 5.55 1.02 -1.07 -3.31 120.64 121.56 3i9n n GLU 226 Ca 0.00 0.49 -0.05 0.00 -0.02 0.00 0.00 57.16 57.59 3i9n n GLU 226 Cb 0.07 -1.72 0.08 0.00 -0.02 0.00 0.00 31.44 29.85 3i9n n GLU 226 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3i9n h VAL 227 N -0.80 1.26 0.00 2.62 3.04 -1.48 -0.82 116.25 120.07 3i9n h VAL 227 Ca -0.39 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.56 3i9n h VAL 227 Cb 1.46 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3i9n h VAL 227 CO -0.17 0.32 0.00 1.41 -1.01 0.00 0.00 177.57 178.11 3i9n n HIS 228 N -4.30 0.00 0.12 3.17 8.25 -1.26 -2.93 115.22 118.27 3i9n n HIS 228 Ca 0.08 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.59 3i9n n HIS 228 Cb 0.14 -0.12 0.08 0.00 1.12 0.00 0.00 29.99 31.21 3i9n n HIS 228 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i9n n ASN 229 N -1.12 2.21 -4.63 0.41 3.02 -0.34 -4.91 115.26 109.90 3i9n n ASN 229 Ca 0.16 -1.67 -0.43 0.00 -0.03 0.00 0.00 54.58 52.61 3i9n n ASN 229 Cb 0.13 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3i9n n ASN 229 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i9n s LEU 230 N -0.86 3.85 -0.20 3.41 1.43 -1.04 -3.59 118.68 121.68 3i9n s LEU 230 Ca 0.14 1.40 -0.25 0.00 -1.03 0.00 0.00 54.13 54.39 3i9n s LEU 230 Cb 0.08 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 3i9n s LEU 230 CO 0.12 -1.23 0.82 -1.10 0.23 0.00 0.00 176.35 175.18 3i9n s GLN 231 N 4.56 4.25 0.53 1.70 -1.52 -1.26 -4.96 119.66 122.96 3i9n s GLN 231 Ca 0.66 0.96 0.19 0.00 -1.95 0.00 0.00 55.36 55.22 3i9n s GLN 231 Cb -0.21 -3.60 1.38 0.00 -0.22 0.00 0.00 33.01 30.36 3i9n s GLN 231 CO 0.27 -0.39 2.16 -1.00 -0.25 0.00 0.00 175.29 176.09 3i9n h PRO 232 N 7.46 0.00 0.00 2.91 0.13 -1.78 0.55 132.00 141.27 3i9n h PRO 232 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 3i9n h PRO 232 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3i9n h PRO 232 CO 0.84 0.00 -0.17 0.93 -0.23 0.00 0.00 178.00 179.37 3i9n h GLU 233 N 0.00 0.00 0.00 0.86 3.07 -1.92 -3.34 114.58 113.25 3i9n h GLU 233 Ca 0.02 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.68 3i9n h GLU 233 Cb 0.06 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 3i9n h GLU 233 CO -0.00 0.17 -1.75 1.63 -1.40 0.00 0.00 179.01 177.66 3i9n n LYS 234 N -4.13 0.95 -3.37 2.33 5.02 -0.14 -4.97 118.16 113.85 3i9n n LYS 234 Ca -0.02 0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.94 3i9n n LYS 234 Cb 0.25 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 3i9n n LYS 234 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9n s VAL 235 N -2.26 5.22 -0.06 -0.18 1.01 0.17 0.26 120.40 124.56 3i9n s VAL 235 Ca -0.14 0.83 0.10 0.00 0.00 0.00 0.00 61.98 62.77 3i9n s VAL 235 Cb 0.04 -3.77 -0.15 0.00 0.00 0.00 0.00 36.38 32.51 3i9n s VAL 235 CO 0.35 0.33 0.14 0.00 0.00 0.00 0.00 175.10 175.92 3i9n n GLN 236 N 3.74 1.31 -3.83 2.72 10.64 0.76 -4.44 117.38 128.27 3i9n n GLN 236 Ca -0.08 -0.05 -0.12 0.00 -1.83 0.00 0.00 57.00 54.91 3i9n n GLN 236 Cb 0.52 -1.26 -0.12 0.00 -0.86 0.00 0.00 30.24 28.52 3i9n n GLN 236 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 3i9n s THR 237 N -2.51 0.02 -0.18 -0.39 2.01 -0.47 -1.68 115.64 112.45 3i9n s THR 237 Ca -0.05 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.78 3i9n s THR 237 Cb 0.05 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.29 3i9n s THR 237 CO 0.44 -0.10 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.88 3i9n s LEU 238 N -0.29 2.28 -0.18 4.42 2.96 0.01 -1.40 118.68 126.48 3i9n s LEU 238 Ca -0.04 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 3i9n s LEU 238 Cb -0.03 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 3i9n s LEU 238 CO 0.01 0.02 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.29 3i9n s GLU 239 N 1.20 3.43 -0.15 1.98 2.12 0.43 -1.29 118.70 126.42 3i9n s GLU 239 Ca 0.02 -0.62 -0.12 0.00 0.36 0.00 0.00 54.97 54.61 3i9n s GLU 239 Cb -0.14 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.32 3i9n s GLU 239 CO -0.09 -0.01 0.25 0.00 -0.54 0.00 0.00 175.26 174.87 3i9n s ALA 240 N 0.98 3.66 -0.32 6.30 0.00 -0.36 -0.37 121.76 131.64 3i9n s ALA 240 Ca -0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 3i9n s ALA 240 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.70 3i9n s ALA 240 CO 0.00 0.20 0.11 -1.58 0.00 0.00 0.00 175.76 174.50 3i9n s TRP 241 N 0.14 3.18 -0.45 0.00 0.51 0.11 -0.49 118.94 121.95 3i9n s TRP 241 Ca 0.15 -0.98 -0.19 0.00 -2.12 0.00 0.00 56.10 52.96 3i9n s TRP 241 Cb -0.13 -2.30 0.03 0.00 -0.81 0.00 0.00 33.47 30.26 3i9n s TRP 241 CO 0.03 -0.59 0.57 0.08 -0.51 0.00 0.00 176.95 176.53 3i9n s VAL 242 N 1.51 4.92 -0.11 4.03 1.01 0.13 -1.23 120.40 130.66 3i9n s VAL 242 Ca 0.02 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 3i9n s VAL 242 Cb -0.18 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 3i9n s VAL 242 CO 0.04 -0.60 1.21 -0.63 0.00 0.00 0.00 175.10 175.12 3i9n s ILE 243 N 2.55 4.30 0.40 2.22 -1.09 0.61 0.06 121.20 130.25 3i9n s ILE 243 Ca 0.17 1.60 -0.22 0.00 -2.23 0.00 0.00 60.65 59.98 3i9n s ILE 243 Cb -0.16 -4.03 -0.11 0.00 -1.58 0.00 0.00 42.46 36.58 3i9n s ILE 243 CO 0.15 -0.07 0.93 -1.00 -1.23 0.00 0.00 174.94 173.72 3i9n s HIS 244 N 2.83 3.40 -0.16 3.97 3.76 0.39 0.82 115.29 130.30 3i9n s HIS 244 Ca 0.54 1.61 -0.18 0.00 -0.15 0.00 0.00 55.06 56.89 3i9n s HIS 244 Cb -0.23 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 3i9n s HIS 244 CO 0.18 -0.02 0.49 0.20 -0.85 0.00 0.00 174.74 174.74 3i9n s GLY 245 N -2.06 2.25 0.00 -2.22 0.00 -1.26 -4.64 107.32 99.38 3i9n s GLY 245 Ca 0.59 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.02 3i9n s GLY 245 CO 0.16 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.77 3i9n n GLY 246 N 3.55 0.00 0.00 0.20 0.00 -1.26 -2.59 105.19 105.10 3i9n n GLY 246 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i9n n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9n n ARG 247 N 0.00 0.00 -1.53 1.61 5.12 -1.26 -4.58 116.66 116.02 3i9n n ARG 247 Ca 0.00 0.49 -0.34 0.00 -1.93 0.00 0.00 57.85 56.08 3i9n n ARG 247 Cb 0.00 -0.81 -0.08 0.00 -1.16 0.00 0.00 32.46 30.40 3i9n n ARG 247 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 3i9n n GLU 248 N -1.80 0.60 -0.34 5.56 0.28 -1.07 -4.76 120.64 119.12 3i9n n GLU 248 Ca 0.00 -0.11 0.04 0.00 -0.16 0.00 0.00 57.16 56.93 3i9n n GLU 248 Cb 0.00 -2.75 0.06 0.00 1.43 0.00 0.00 31.44 30.18 3i9n n GLU 248 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3i9n n ASP 249 N 14.02 0.94 -0.07 -1.84 5.68 -1.26 -4.57 116.55 129.45 3i9n n ASP 249 Ca 0.49 -2.44 0.11 0.00 -0.50 0.00 0.00 54.79 52.45 3i9n n ASP 249 Cb 0.35 -0.29 0.14 0.00 -1.14 0.00 0.00 41.12 40.18 3i9n n ASP 249 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3i9n n SER 250 N -0.57 0.82 -4.43 -1.12 3.41 -1.26 -4.94 113.62 105.53 3i9n n SER 250 Ca 0.06 -0.65 -0.26 0.00 -0.26 0.00 0.00 58.87 57.77 3i9n n SER 250 Cb 0.68 0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 64.99 3i9n n SER 250 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i9n s ARG 251 N -2.90 1.55 -0.49 4.33 0.52 -1.26 -5.11 118.95 115.59 3i9n s ARG 251 Ca 0.12 -1.58 -0.17 0.00 -0.52 0.00 0.00 55.73 53.59 3i9n s ARG 251 Cb 0.17 -1.81 0.07 0.00 0.52 0.00 0.00 34.95 33.91 3i9n s ARG 251 CO 0.72 0.38 0.48 0.34 0.02 0.00 0.00 175.30 177.24 3i9n s ASP 252 N -2.87 6.18 0.19 0.23 2.15 -1.26 -4.95 116.67 116.33 3i9n s ASP 252 Ca 0.23 -1.22 0.25 0.00 0.43 0.00 0.00 52.55 52.24 3i9n s ASP 252 Cb -0.07 -2.22 0.89 0.00 -0.30 0.00 0.00 42.92 41.22 3i9n s ASP 252 CO 0.11 -0.75 1.77 0.18 -0.17 0.00 0.00 175.17 176.31 3i9n n LEU 253 N 5.55 0.66 0.00 -1.34 4.77 -1.26 -2.06 117.00 123.32 3i9n n LEU 253 Ca -0.11 0.58 0.01 0.00 -0.03 0.00 0.00 56.01 56.47 3i9n n LEU 253 Cb 0.44 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3i9n n LEU 253 CO 0.50 -0.25 0.27 0.00 -1.33 0.00 0.00 177.39 176.58 3i9n n GLN 255 N -0.93 1.01 -1.39 0.00 3.00 -0.87 -4.57 117.38 113.63 3i9n n GLN 255 Ca 0.01 -0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.51 3i9n n GLN 255 Cb 0.01 -1.27 0.02 0.00 0.00 0.00 0.00 30.24 28.99 3i9n n GLN 255 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3i9n n ASP 256 N -1.79 -1.81 -0.29 1.08 -0.08 0.38 -4.79 116.55 109.25 3i9n n ASP 256 Ca -0.01 0.79 0.03 0.00 -1.51 0.00 0.00 54.79 54.08 3i9n n ASP 256 Cb 0.31 -1.04 0.16 0.00 2.34 0.00 0.00 41.12 42.90 3i9n n ASP 256 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i9n h PRO 257 N 0.39 0.78 0.00 -0.67 0.13 -1.94 -2.62 132.00 128.07 3i9n h PRO 257 Ca -0.42 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 3i9n h PRO 257 Cb 1.42 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3i9n h PRO 257 CO 0.47 0.51 -0.30 1.79 -0.23 0.00 0.00 178.00 180.25 3i9n h THR 258 N 0.80 0.79 -0.24 1.56 1.35 -1.89 0.24 112.91 115.52 3i9n h THR 258 Ca 0.39 -1.24 -0.20 0.00 -0.55 0.00 0.00 66.41 64.82 3i9n h THR 258 Cb 0.35 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3i9n h THR 258 CO -0.24 0.29 -0.64 0.40 -0.25 0.00 0.00 175.52 175.08 3i9n h ILE 259 N 0.00 1.27 -0.14 6.82 1.08 -1.81 -0.12 117.51 124.61 3i9n h ILE 259 Ca -0.00 -1.82 -0.06 0.00 -0.39 0.00 0.00 64.86 62.59 3i9n h ILE 259 Cb 0.74 1.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 3i9n h ILE 259 CO 0.04 0.59 -0.17 0.11 -0.69 0.00 0.00 178.15 178.02 3i9n h LYS 260 N 0.63 0.23 0.01 2.37 1.79 -0.99 0.63 116.57 121.24 3i9n h LYS 260 Ca -0.01 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3i9n h LYS 260 Cb 1.26 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3i9n h LYS 260 CO 0.14 0.41 -0.00 1.49 -1.08 0.00 0.00 179.45 180.40 3i9n h GLU 261 N 0.22 -0.01 -0.44 3.15 4.81 -0.81 -1.53 114.58 119.96 3i9n h GLU 261 Ca 0.04 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 3i9n h GLU 261 Cb 0.44 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 3i9n h GLU 261 CO 0.03 0.32 -0.04 1.25 -0.73 0.00 0.00 179.01 179.84 3i9n h LEU 262 N -0.34 -0.26 -0.97 1.64 5.85 -0.27 -1.75 115.31 119.21 3i9n h LEU 262 Ca -0.00 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.94 3i9n h LEU 262 Cb 0.33 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 3i9n h LEU 262 CO 0.00 -0.09 0.60 -0.08 -0.34 0.00 0.00 178.44 178.53 3i9n h GLU 263 N 0.07 0.95 -0.16 1.25 4.81 0.44 -2.30 114.58 119.63 3i9n h GLU 263 Ca 0.22 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3i9n h GLU 263 Cb 0.33 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3i9n h GLU 263 CO -0.40 0.63 -0.07 1.03 -0.73 0.00 0.00 179.01 179.46 3i9n h SER 264 N 0.97 0.34 -0.98 1.04 0.87 -0.62 -2.30 113.55 112.87 3i9n h SER 264 Ca 0.47 -0.41 0.14 0.00 -1.23 0.00 0.00 61.79 60.76 3i9n h SER 264 Cb 0.43 -0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 62.22 3i9n h SER 264 CO -0.25 0.67 0.62 0.40 -0.53 0.00 0.00 176.83 177.74 3i9n h ILE 265 N 0.00 0.87 0.04 2.23 2.04 -0.99 -0.45 117.51 121.25 3i9n h ILE 265 Ca 0.04 -0.31 -0.28 0.00 1.00 0.00 0.00 64.86 65.30 3i9n h ILE 265 Cb 0.55 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3i9n h ILE 265 CO 0.02 0.16 -1.54 0.16 0.00 0.00 0.00 178.15 176.96 3i9n h ILE 266 N 0.90 1.09 -0.75 -0.67 -0.00 -1.36 -3.13 117.51 113.59 3i9n h ILE 266 Ca 0.50 -2.85 0.01 0.00 -0.00 0.00 0.00 64.86 62.53 3i9n h ILE 266 Cb 0.60 2.61 -0.04 0.00 -0.00 0.00 0.00 36.82 39.99 3i9n h ILE 266 CO -0.27 0.71 0.49 0.28 -0.00 0.00 0.00 178.15 179.37 3i9n h SER 267 N 0.02 0.84 0.68 2.16 0.02 -1.32 0.26 113.55 116.21 3i9n h SER 267 Ca -0.23 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3i9n h SER 267 Cb 1.97 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.30 3i9n h SER 267 CO 0.11 0.60 0.00 0.11 -1.14 0.00 0.00 176.83 176.51 3i9n h LYS 268 N 0.99 0.00 -0.06 3.45 1.57 -1.08 -1.84 116.57 119.61 3i9n h LYS 268 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3i9n h LYS 268 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3i9n h LYS 268 CO -0.07 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.35 3i9n n ARG 269 N -3.06 1.51 -3.07 3.15 1.74 0.02 -4.91 116.66 112.04 3i9n n ARG 269 Ca -0.01 -0.75 -0.13 0.00 -0.77 0.00 0.00 57.85 56.20 3i9n n ARG 269 Cb 0.23 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.28 3i9n n ARG 269 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i9n n ASN 270 N -0.07 -4.07 -4.19 0.55 3.02 -0.69 -4.40 115.26 105.42 3i9n n ASN 270 Ca 0.18 -0.31 -0.28 0.00 -0.03 0.00 0.00 54.58 54.14 3i9n n ASN 270 Cb 0.28 -3.09 -0.16 0.00 -0.61 0.00 0.00 39.78 36.20 3i9n n ASN 270 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i9n s ILE 271 N -3.19 1.67 0.40 2.41 1.01 -0.83 -4.82 121.20 117.86 3i9n s ILE 271 Ca 0.28 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 3i9n s ILE 271 Cb -0.12 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 3i9n s ILE 271 CO 0.41 0.47 1.36 -1.10 0.00 0.00 0.00 174.94 176.09 3i9n s GLN 272 N -0.04 3.96 -0.09 2.79 -0.21 -0.67 -3.60 119.66 121.79 3i9n s GLN 272 Ca -0.04 2.30 0.02 0.00 0.02 0.00 0.00 55.36 57.65 3i9n s GLN 272 Cb -0.12 -2.80 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 3i9n s GLN 272 CO 0.03 -0.55 -0.13 0.12 -2.12 0.00 0.00 175.29 172.64 3i9n s PHE 273 N -1.21 2.77 0.05 0.91 5.36 -1.26 -0.81 117.98 123.80 3i9n s PHE 273 Ca 0.56 -0.38 0.03 0.00 -0.96 0.00 0.00 56.93 56.18 3i9n s PHE 273 Cb -0.41 -1.74 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 3i9n s PHE 273 CO 0.53 0.00 -0.09 0.45 -1.46 0.00 0.00 175.22 174.66 3i9n s SER 274 N -0.20 1.00 -0.09 6.13 0.15 -0.41 -4.97 113.70 115.30 3i9n s SER 274 Ca 0.01 -0.61 -0.05 0.00 0.70 0.00 0.00 55.95 56.00 3i9n s SER 274 Cb -0.13 0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 3i9n s SER 274 CO 0.03 -0.21 0.22 0.00 1.20 0.00 0.00 173.24 174.48 3i9n s LYS 276 N 1.14 1.90 0.10 0.00 -0.14 0.36 -4.96 119.74 118.15 3i9n s LYS 276 Ca -0.08 -1.05 -0.26 0.00 -1.36 0.00 0.00 55.97 53.22 3i9n s LYS 276 Cb -0.10 -2.02 -0.07 0.00 -1.68 0.00 0.00 37.83 33.97 3i9n s LYS 276 CO -0.07 0.53 0.79 -0.80 -0.76 0.00 0.00 175.35 175.04 3i9n s ASN 277 N -1.11 7.32 -0.55 2.83 0.01 -1.26 -0.69 114.94 121.48 3i9n s ASN 277 Ca 0.12 1.57 0.00 0.00 -0.71 0.00 0.00 52.86 53.84 3i9n s ASN 277 Cb -0.10 -2.49 0.14 0.00 0.41 0.00 0.00 41.25 39.21 3i9n s ASN 277 CO 0.02 0.09 0.33 -0.63 -1.51 0.00 0.00 177.10 175.39 3i9n s ILE 278 N -0.50 3.16 0.03 0.60 1.01 0.11 -4.86 121.20 120.75 3i9n s ILE 278 Ca 0.38 -3.00 -0.19 0.00 0.00 0.00 0.00 60.65 57.85 3i9n s ILE 278 Cb -0.22 -3.12 -0.19 0.00 0.01 0.00 0.00 42.46 38.94 3i9n s ILE 278 CO 0.25 -0.82 1.20 1.88 0.00 0.00 0.00 174.94 177.45 3i9n h TYR 279 N 6.93 0.65 -3.50 3.97 0.05 -1.91 0.11 116.97 123.28 3i9n h TYR 279 Ca -0.05 -0.30 -0.71 0.00 0.05 0.00 0.00 58.73 57.72 3i9n h TYR 279 Cb 0.94 -0.10 -0.34 0.00 1.01 0.00 0.00 36.73 38.24 3i9n h TYR 279 CO 0.61 1.08 -0.18 1.03 -1.05 0.00 0.00 178.16 179.65 3i9n s ARG 280 N -3.59 3.02 0.21 4.88 1.81 -1.26 -4.61 118.95 119.42 3i9n s ARG 280 Ca -0.13 -2.85 -0.07 0.00 -1.72 0.00 0.00 55.73 50.97 3i9n s ARG 280 Cb 0.05 -3.93 0.16 0.00 -0.45 0.00 0.00 34.95 30.78 3i9n s ARG 280 CO 0.82 -1.23 1.69 -1.00 -0.68 0.00 0.00 175.30 174.90 3i9n h PRO 281 N 6.69 1.00 0.00 3.54 0.13 -1.82 0.12 132.00 141.66 3i9n h PRO 281 Ca 0.07 -0.29 0.02 0.00 -0.87 0.00 0.00 66.00 64.94 3i9n h PRO 281 Cb 0.90 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 3i9n h PRO 281 CO 0.78 0.96 -0.16 0.38 -0.23 0.00 0.00 178.00 179.74 3i9n h ASP 282 N 0.92 -0.45 -0.41 1.44 2.03 -1.94 -1.11 116.42 116.89 3i9n h ASP 282 Ca 0.17 0.07 -0.05 0.00 -0.73 0.00 0.00 57.03 56.49 3i9n h ASP 282 Cb 0.50 0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.18 3i9n h ASP 282 CO 0.02 -0.22 0.08 0.50 -1.03 0.00 0.00 179.24 178.59 3i9n h LYS 283 N -0.26 0.67 -0.51 4.15 3.64 -1.91 -3.07 116.57 119.28 3i9n h LYS 283 Ca 0.05 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3i9n h LYS 283 Cb 0.32 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.97 3i9n h LYS 283 CO -0.15 0.71 -0.46 0.35 -2.27 0.00 0.00 179.45 177.63 3i9n h PHE 284 N 0.53 -1.37 -0.96 1.91 3.57 -0.37 -0.20 116.94 120.04 3i9n h PHE 284 Ca 0.13 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.81 3i9n h PHE 284 Cb 0.36 0.67 -0.07 0.00 2.79 0.00 0.00 35.95 39.69 3i9n h PHE 284 CO 0.02 -0.44 0.61 1.25 -2.23 0.00 0.00 178.31 177.53 3i9n h LEU 285 N -0.28 0.89 -0.67 0.59 6.46 -1.19 -0.88 115.31 120.22 3i9n h LEU 285 Ca 0.15 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.87 3i9n h LEU 285 Cb 0.57 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 3i9n h LEU 285 CO -0.65 0.50 -0.35 -0.61 -0.62 0.00 0.00 178.44 176.72 3i9n h GLN 286 N 0.97 0.00 0.00 1.25 5.75 -1.11 -2.55 115.11 119.42 3i9n h GLN 286 Ca 0.46 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.85 3i9n h GLN 286 Cb 0.44 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 3i9n h GLN 286 CO -0.22 0.35 -0.54 0.00 -2.65 0.00 0.00 178.83 175.77 3i9n h VAL 288 N 0.00 1.33 0.15 0.00 2.07 -1.05 -1.36 116.25 117.39 3i9n h VAL 288 Ca -0.01 -1.82 -0.22 0.00 0.82 0.00 0.00 66.70 65.48 3i9n h VAL 288 Cb 1.10 1.80 0.02 0.00 -1.52 0.00 0.00 31.29 32.70 3i9n h VAL 288 CO 0.07 0.56 -0.94 0.11 0.02 0.00 0.00 177.57 177.39 3i9n h LYS 289 N 0.40 0.36 -2.27 1.57 1.57 -1.29 -3.38 116.57 113.54 3i9n h LYS 289 Ca 0.01 -0.60 -0.60 0.00 -1.87 0.00 0.00 60.65 57.59 3i9n h LYS 289 Cb 1.10 0.22 -0.42 0.00 0.08 0.00 0.00 32.23 33.21 3i9n h LYS 289 CO 0.10 1.28 -0.58 0.09 -0.57 0.00 0.00 179.45 179.77 3i9n n ASN 290 N -4.04 4.39 -4.75 0.86 3.02 0.63 -5.06 115.26 110.30 3i9n n ASN 290 Ca -0.14 -3.62 -0.41 0.00 -0.03 0.00 0.00 54.58 50.37 3i9n n ASN 290 Cb 0.87 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 3i9n n ASN 290 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i9n s PRO 291 N -3.23 4.15 0.00 3.52 0.04 -0.51 -0.56 135.00 138.41 3i9n s PRO 291 Ca 0.46 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.03 3i9n s PRO 291 Cb 0.24 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.75 3i9n s PRO 291 CO -0.10 -0.58 0.00 -0.85 0.04 0.00 0.00 177.00 175.50 3i9n n GLU 292 N 2.08 0.00 -1.68 4.56 0.28 -1.26 -5.03 120.64 119.59 3i9n n GLU 292 Ca 0.07 0.00 -0.49 0.00 -0.16 0.00 0.00 57.16 56.58 3i9n n GLU 292 Cb 0.38 -0.07 -0.05 0.00 1.43 0.00 0.00 31.44 33.13 3i9n n GLU 292 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3i9n n ASP 293 N 0.00 3.26 -3.59 -1.84 2.03 0.28 -4.82 116.55 111.87 3i9n n ASP 293 Ca 0.00 1.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.90 3i9n n ASP 293 Cb 0.00 -1.34 -0.02 0.00 -0.72 0.00 0.00 41.12 39.04 3i9n n ASP 293 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3i9n n SER 294 N 6.20 4.28 -1.39 1.67 3.41 -1.26 -3.05 113.62 123.48 3i9n n SER 294 Ca 0.23 -2.71 -0.05 0.00 -0.26 0.00 0.00 58.87 56.08 3i9n n SER 294 Cb 0.27 -1.44 -0.02 0.00 -0.26 0.00 0.00 64.21 62.76 3i9n n SER 294 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i9n n SER 295 N 5.96 -0.85 0.00 4.04 3.41 -1.26 -5.29 113.62 119.63 3i9n n SER 295 Ca 0.54 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 3i9n n SER 295 Cb 0.35 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3i9n n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88