#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gia s LYS 35 N 0.00 3.60 -0.10 5.55 2.20 -1.26 -0.95 119.74 128.79 1gia s LYS 35 Ca 0.00 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1gia s LYS 35 Cb 0.00 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 1gia s LYS 35 CO 0.00 -0.20 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.16 1gia s LEU 36 N 1.60 2.81 -0.13 5.43 1.43 -0.51 -0.35 118.68 128.95 1gia s LEU 36 Ca 0.06 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1gia s LEU 36 Cb -0.15 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1gia s LEU 36 CO 0.03 0.25 -0.20 -0.22 0.23 0.00 0.00 176.35 176.44 1gia s LEU 37 N -0.15 2.24 -0.30 1.79 2.96 -0.81 -0.10 118.68 124.31 1gia s LEU 37 Ca -0.00 -0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 53.23 1gia s LEU 37 Cb -0.13 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1gia s LEU 37 CO 0.03 0.10 0.30 -0.76 -1.32 0.00 0.00 176.35 174.70 1gia s LEU 38 N 0.68 4.21 0.30 -0.68 1.43 -0.46 -1.14 118.68 123.02 1gia s LEU 38 Ca -0.09 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1gia s LEU 38 Cb -0.16 -2.27 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 1gia s LEU 38 CO 0.01 -0.19 -0.08 -0.76 0.23 0.00 0.00 176.35 175.56 1gia s LEU 39 N 1.92 2.56 0.00 1.79 1.43 -0.77 -4.29 118.68 121.31 1gia s LEU 39 Ca 0.10 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 1gia s LEU 39 Cb -0.16 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1gia s LEU 39 CO 0.11 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1gia n GLY 40 N -0.64 3.80 3.53 -3.19 0.00 -1.26 -0.65 105.19 106.78 1gia n GLY 40 Ca -0.05 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1gia n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gia s ALA 41 N -2.00 0.19 0.38 4.61 0.00 -1.26 -4.16 121.76 119.52 1gia s ALA 41 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 51.01 1gia s ALA 41 Cb 0.00 -3.00 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 1gia s ALA 41 CO 0.00 -3.70 1.44 0.20 0.00 0.00 0.00 175.76 173.69 1gia s GLY 42 N -3.42 2.95 -1.65 0.00 0.00 -1.12 -2.86 107.32 101.22 1gia s GLY 42 Ca 0.69 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.90 1gia s GLY 42 CO 0.58 2.15 0.00 1.18 0.00 0.00 0.00 173.10 177.02 1gia n GLU 43 N 0.41 -1.20 0.23 2.90 1.02 -1.26 -4.90 120.64 117.84 1gia n GLU 43 Ca 0.01 1.00 0.13 0.00 -0.02 0.00 0.00 57.16 58.28 1gia n GLU 43 Cb 0.40 -5.26 0.30 0.00 -0.02 0.00 0.00 31.44 26.85 1gia n GLU 43 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1gia h SER 44 N 0.00 0.00 0.00 1.62 4.64 -1.87 -3.47 113.55 114.47 1gia h SER 44 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1gia h SER 44 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1gia h SER 44 CO 0.49 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 1gia n GLY 45 N 0.87 1.29 0.14 -0.77 0.00 -1.26 -4.31 105.19 101.14 1gia n GLY 45 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1gia n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gia h LYS 46 N 0.73 -0.13 0.00 1.61 1.57 -1.92 -2.61 116.57 115.83 1gia h LYS 46 Ca 0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1gia h LYS 46 Cb 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1gia h LYS 46 CO 0.00 -0.09 -0.14 0.77 -0.57 0.00 0.00 179.45 179.42 1gia h SER 47 N -0.14 0.00 0.01 0.86 0.02 -1.97 -2.68 113.55 109.66 1gia h SER 47 Ca 0.06 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.83 1gia h SER 47 Cb 0.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1gia h SER 47 CO -0.14 0.14 -0.60 0.74 -1.14 0.00 0.00 176.83 175.82 1gia h THR 48 N 0.00 1.32 -0.46 -2.27 2.02 -1.82 -2.64 112.91 109.05 1gia h THR 48 Ca -0.00 -1.87 -0.07 0.00 0.77 0.00 0.00 66.41 65.24 1gia h THR 48 Cb 0.41 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1gia h THR 48 CO 0.02 0.58 0.01 0.40 0.37 0.00 0.00 175.52 176.90 1gia h ILE 49 N 0.44 1.24 -0.58 3.11 1.08 -1.25 -1.62 117.51 119.93 1gia h ILE 49 Ca -0.00 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 1gia h ILE 49 Cb 1.17 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1gia h ILE 49 CO 0.12 0.34 0.34 0.58 -0.69 0.00 0.00 178.15 178.83 1gia h VAL 50 N 0.71 1.18 -0.30 1.67 2.07 -1.36 -2.21 116.25 118.00 1gia h VAL 50 Ca 0.14 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1gia h VAL 50 Cb 0.43 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1gia h VAL 50 CO 0.02 0.18 -0.09 0.11 0.02 0.00 0.00 177.57 177.81 1gia h LYS 51 N 0.78 0.50 -0.40 1.57 1.57 -1.06 -2.88 116.57 116.65 1gia h LYS 51 Ca 0.21 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1gia h LYS 51 Cb -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1gia h LYS 51 CO -0.04 0.60 -0.03 1.96 -0.57 0.00 0.00 179.45 181.37 1gia h GLN 52 N 0.47 0.65 -0.70 3.15 1.08 -0.70 -2.59 115.11 116.46 1gia h GLN 52 Ca 0.09 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1gia h GLN 52 Cb 0.45 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 1gia h GLN 52 CO 0.02 0.69 0.46 0.52 -0.95 0.00 0.00 178.83 179.58 1gia h MET 53 N 0.61 0.81 -0.31 1.46 2.86 -1.25 0.35 114.93 119.46 1gia h MET 53 Ca 0.12 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.59 1gia h MET 53 Cb 0.43 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1gia h MET 53 CO 0.02 0.54 -0.27 -0.22 1.06 0.00 0.00 176.91 178.04 1gia h LYS 54 N 0.84 0.73 -0.26 1.72 3.64 -1.51 0.35 116.57 122.08 1gia h LYS 54 Ca 0.28 -0.37 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1gia h LYS 54 Cb 0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1gia h LYS 54 CO -0.08 0.99 -0.06 0.82 -2.27 0.00 0.00 179.45 178.85 1gia h ILE 55 N 0.49 1.28 0.00 2.00 2.04 -1.12 -1.70 117.51 120.50 1gia h ILE 55 Ca 0.05 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1gia h ILE 55 Cb 0.84 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1gia h ILE 55 CO 0.07 0.33 -0.00 0.40 0.00 0.00 0.00 178.15 178.95 1gia h ILE 56 N 0.25 1.67 0.00 -0.67 2.04 -0.31 -3.33 117.51 117.17 1gia h ILE 56 Ca 0.07 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.85 1gia h ILE 56 Cb 0.52 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1gia h ILE 56 CO 0.02 0.53 -0.67 1.41 0.00 0.00 0.00 178.15 179.44 1gia n HIS 57 N -4.67 0.53 -0.71 1.37 8.25 0.12 -4.89 115.22 115.23 1gia n HIS 57 Ca -0.09 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1gia n HIS 57 Cb 0.42 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1gia n HIS 57 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1gia n GLU 58 N -2.10 3.41 -0.27 -0.41 -0.58 -0.68 -4.89 120.64 115.11 1gia n GLU 58 Ca 0.03 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.86 1gia n GLU 58 Cb 0.44 0.00 0.20 0.00 -0.57 0.00 0.00 31.44 31.51 1gia n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gia n ALA 59 N -3.00 2.64 0.00 0.62 0.00 -1.21 -4.80 120.51 114.76 1gia n ALA 59 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.10 1gia n ALA 59 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1gia n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gia n GLY 60 N -0.83 -2.20 3.75 0.00 0.00 -0.95 -4.87 105.19 100.09 1gia n GLY 60 Ca 0.18 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 1gia n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gia s TYR 61 N -0.24 3.71 1.01 1.61 1.51 -1.26 -4.83 117.35 118.86 1gia s TYR 61 Ca 0.00 1.36 -0.15 0.00 -1.01 0.00 0.00 57.07 57.27 1gia s TYR 61 Cb 0.00 -2.74 0.20 0.00 -0.11 0.00 0.00 41.96 39.30 1gia s TYR 61 CO 0.00 0.29 1.16 -1.54 -1.11 0.00 0.00 175.55 174.35 1gia s SER 62 N -0.05 2.59 0.20 2.29 1.04 -1.26 -4.76 113.70 113.75 1gia s SER 62 Ca 0.36 0.75 -0.11 0.00 0.48 0.00 0.00 55.95 57.43 1gia s SER 62 Cb -0.19 -1.13 0.16 0.00 0.10 0.00 0.00 66.02 64.95 1gia s SER 62 CO 0.21 -3.10 1.85 -0.08 0.98 0.00 0.00 173.24 173.09 1gia h GLU 63 N -1.88 0.84 -0.66 4.02 4.81 -1.98 -0.78 114.58 118.95 1gia h GLU 63 Ca -0.48 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 1gia h GLU 63 Cb 1.30 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1gia h GLU 63 CO 0.49 0.55 0.13 0.93 -0.73 0.00 0.00 179.01 180.39 1gia h GLU 64 N 0.86 1.07 -0.55 1.92 3.07 -1.99 -1.65 114.58 117.31 1gia h GLU 64 Ca 0.26 -0.27 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1gia h GLU 64 Cb -0.03 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1gia h GLU 64 CO -0.09 0.97 0.09 0.93 -1.40 0.00 0.00 179.01 179.51 1gia h GLU 65 N 0.99 0.90 -0.48 2.33 5.08 -1.79 -2.86 114.58 118.76 1gia h GLU 65 Ca 0.20 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1gia h GLU 65 Cb 0.40 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1gia h GLU 65 CO 0.01 0.88 0.16 0.00 -1.00 0.00 0.00 179.01 179.06 1gia h LYS 67 N 0.63 0.00 -0.15 0.00 1.57 -1.23 -0.44 116.57 116.95 1gia h LYS 67 Ca 0.16 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1gia h LYS 67 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1gia h LYS 67 CO -0.01 0.00 -0.32 1.96 -0.57 0.00 0.00 179.45 180.52 1gia h GLN 68 N 0.00 0.29 -0.00 3.15 1.08 -1.10 -2.42 115.11 116.11 1gia h GLN 68 Ca 0.01 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1gia h GLN 68 Cb 0.06 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1gia h GLN 68 CO -0.00 0.58 -0.04 0.66 -0.95 0.00 0.00 178.83 179.08 1gia n TYR 69 N -4.10 0.00 -0.27 2.96 4.01 -0.19 -3.84 117.16 115.73 1gia n TYR 69 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1gia n TYR 69 Cb 0.42 -0.45 0.14 0.00 -0.31 0.00 0.00 39.34 39.14 1gia n TYR 69 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1gia h LYS 70 N 0.01 0.70 0.00 -0.72 3.64 -1.20 -0.86 116.57 118.15 1gia h LYS 70 Ca 0.00 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1gia h LYS 70 Cb 0.47 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1gia h LYS 70 CO 0.00 0.47 -0.46 0.00 -2.27 0.00 0.00 179.45 177.19 1gia h ALA 71 N 1.42 1.14 -0.27 5.00 0.00 -1.76 -2.48 119.26 122.31 1gia h ALA 71 Ca 0.36 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1gia h ALA 71 Cb 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1gia h ALA 71 CO -0.23 0.57 -0.37 0.28 0.00 0.00 0.00 179.25 179.50 1gia h VAL 72 N 0.00 1.30 0.11 0.00 2.07 -1.48 0.07 116.25 118.32 1gia h VAL 72 Ca -0.00 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1gia h VAL 72 Cb 0.87 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1gia h VAL 72 CO 0.06 0.50 -0.11 0.58 0.02 0.00 0.00 177.57 178.62 1gia h VAL 73 N 0.47 0.74 -0.73 2.57 2.07 -1.07 0.49 116.25 120.80 1gia h VAL 73 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1gia h VAL 73 Cb 0.96 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1gia h VAL 73 CO 0.09 0.00 0.31 1.88 0.02 0.00 0.00 177.57 179.86 1gia h TYR 74 N -0.25 1.10 -0.45 1.57 0.05 -1.43 -0.17 116.97 117.39 1gia h TYR 74 Ca 0.01 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 1gia h TYR 74 Cb 0.24 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1gia h TYR 74 CO -0.12 0.84 0.08 1.03 -1.05 0.00 0.00 178.16 178.93 1gia h SER 75 N 1.04 0.72 -0.92 3.88 0.87 -0.67 -1.56 113.55 116.91 1gia h SER 75 Ca 0.25 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1gia h SER 75 Cb 0.19 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1gia h SER 75 CO -0.02 0.79 0.54 0.78 -0.53 0.00 0.00 176.83 178.39 1gia h ASN 76 N 0.61 1.11 -0.08 6.23 -0.26 0.27 -1.04 115.58 122.43 1gia h ASN 76 Ca 0.14 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1gia h ASN 76 Cb 0.38 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1gia h ASN 76 CO 0.01 0.86 0.00 0.74 -1.06 0.00 0.00 177.43 177.98 1gia h THR 77 N 1.27 1.24 -0.58 2.81 2.02 -0.76 -2.25 112.91 116.66 1gia h THR 77 Ca 0.33 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1gia h THR 77 Cb -0.04 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1gia h THR 77 CO -0.06 0.21 0.20 0.40 0.37 0.00 0.00 175.52 176.64 1gia h ILE 78 N -0.14 1.23 -0.42 3.11 5.03 -1.18 -2.56 117.51 122.58 1gia h ILE 78 Ca 0.02 -0.77 -0.04 0.00 -0.12 0.00 0.00 64.86 63.95 1gia h ILE 78 Cb 0.33 0.65 -0.02 0.00 -3.03 0.00 0.00 36.82 34.75 1gia h ILE 78 CO 0.00 0.29 0.07 1.56 -0.68 0.00 0.00 178.15 179.40 1gia h GLN 79 N 0.80 0.63 -0.07 2.37 1.08 -1.18 -1.74 115.11 117.00 1gia h GLN 79 Ca 0.19 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1gia h GLN 79 Cb 0.25 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1gia h GLN 79 CO -0.01 0.60 0.00 0.77 -0.95 0.00 0.00 178.83 179.24 1gia h SER 80 N 0.61 0.11 -0.46 1.46 0.02 -1.02 -0.15 113.55 114.12 1gia h SER 80 Ca 0.14 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1gia h SER 80 Cb 0.28 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1gia h SER 80 CO 0.00 0.39 0.05 -0.29 -1.14 0.00 0.00 176.83 175.84 1gia h ILE 81 N -0.17 1.24 -0.55 3.27 6.09 -1.40 -2.48 117.51 123.51 1gia h ILE 81 Ca 0.02 -0.97 -0.10 0.00 -1.37 0.00 0.00 64.86 62.44 1gia h ILE 81 Cb 0.33 0.79 -0.02 0.00 0.47 0.00 0.00 36.82 38.39 1gia h ILE 81 CO 0.00 0.35 -0.06 0.40 -3.07 0.00 0.00 178.15 175.77 1gia h ILE 82 N 0.80 1.26 -0.73 2.19 2.04 -1.24 -1.09 117.51 120.74 1gia h ILE 82 Ca 0.16 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1gia h ILE 82 Cb 0.41 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1gia h ILE 82 CO 0.01 0.42 0.33 0.00 0.00 0.00 0.00 178.15 178.92 1gia h ALA 83 N 1.03 1.20 -0.08 1.87 0.00 -0.68 -0.31 119.26 122.29 1gia h ALA 83 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1gia h ALA 83 Cb 0.60 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gia h ALA 83 CO 0.04 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.69 1gia h ILE 84 N 1.04 1.29 -0.44 0.00 2.04 -1.17 -2.31 117.51 117.97 1gia h ILE 84 Ca 0.25 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1gia h ILE 84 Cb 0.14 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1gia h ILE 84 CO -0.03 0.26 0.26 0.40 0.00 0.00 0.00 178.15 179.04 1gia h ILE 85 N -0.18 1.13 -0.43 -0.67 2.04 -0.91 -1.81 117.51 116.68 1gia h ILE 85 Ca 0.02 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 1gia h ILE 85 Cb 0.43 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1gia h ILE 85 CO 0.01 0.14 -0.09 -0.09 0.00 0.00 0.00 178.15 178.12 1gia h ARG 86 N 0.61 0.82 -0.18 2.37 2.43 -1.00 -3.15 114.38 116.28 1gia h ARG 86 Ca 0.16 -0.31 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 1gia h ARG 86 Cb -0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1gia h ARG 86 CO -0.03 0.93 -0.30 0.00 -1.51 0.00 0.00 179.97 179.06 1gia h ALA 87 N 0.87 1.16 -0.76 2.80 0.00 -0.81 -2.63 119.26 119.88 1gia h ALA 87 Ca 0.11 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1gia h ALA 87 Cb 0.61 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1gia h ALA 87 CO 0.04 0.54 0.50 0.52 0.00 0.00 0.00 179.25 180.85 1gia h MET 88 N 0.31 0.76 -0.17 0.00 2.86 -1.31 -0.38 114.93 117.01 1gia h MET 88 Ca 0.04 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1gia h MET 88 Cb 0.69 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1gia h MET 88 CO 0.05 0.51 -0.02 0.78 1.06 0.00 0.00 176.91 179.29 1gia h GLY 89 N 0.79 0.34 1.33 8.32 0.00 -1.51 0.31 103.07 112.64 1gia h GLY 89 Ca 0.33 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 1gia h GLY 89 CO -0.12 0.24 -0.11 3.21 0.00 0.00 0.00 176.54 179.77 1gia h ARG 90 N 0.04 0.80 -0.01 4.80 3.08 -1.29 -2.83 114.38 118.96 1gia h ARG 90 Ca 0.05 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1gia h ARG 90 Cb 0.43 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1gia h ARG 90 CO 0.01 0.87 -0.03 1.28 -1.07 0.00 0.00 179.97 181.04 1gia n LEU 91 N -4.16 1.50 -3.37 3.04 4.77 -0.22 -4.97 117.00 113.59 1gia n LEU 91 Ca 0.01 -0.49 -0.19 0.00 -0.03 0.00 0.00 56.01 55.31 1gia n LEU 91 Cb 0.37 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1gia n LEU 91 CO 0.43 0.25 0.01 0.29 -1.33 0.00 0.00 177.39 177.04 1gia n LYS 92 N 0.13 -1.93 -4.65 3.23 4.76 -0.38 -5.00 118.16 114.32 1gia n LYS 92 Ca 0.18 0.77 -0.33 0.00 -2.87 0.00 0.00 58.31 56.06 1gia n LYS 92 Cb 0.36 -5.34 -0.14 0.00 -1.84 0.00 0.00 35.03 28.07 1gia n LYS 92 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1gia s ILE 93 N -3.40 3.09 0.43 -0.18 1.01 0.97 -5.03 121.20 118.09 1gia s ILE 93 Ca 0.45 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1gia s ILE 93 Cb -0.09 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1gia s ILE 93 CO 0.77 0.51 0.69 -1.81 0.00 0.00 0.00 174.94 175.11 1gia s ASP 94 N 0.50 6.28 0.53 3.58 1.01 -1.26 -4.60 116.67 122.70 1gia s ASP 94 Ca -0.08 0.74 -0.18 0.00 0.71 0.00 0.00 52.55 53.73 1gia s ASP 94 Cb -0.16 -2.16 -0.06 0.00 1.01 0.00 0.00 42.92 41.55 1gia s ASP 94 CO 0.04 -0.46 1.05 -0.36 0.21 0.00 0.00 175.17 175.65 1gia s PHE 95 N -2.56 2.99 0.32 4.23 0.08 -1.26 -4.33 117.98 117.45 1gia s PHE 95 Ca 0.44 1.55 0.10 0.00 0.12 0.00 0.00 56.93 59.15 1gia s PHE 95 Cb -0.10 -3.05 0.53 0.00 -0.57 0.00 0.00 43.02 39.83 1gia s PHE 95 CO 0.41 -0.96 1.72 0.78 -0.10 0.00 0.00 175.22 177.07 1gia h GLY 96 N 1.09 0.06 -6.14 4.36 0.00 -1.90 -3.42 103.07 97.13 1gia h GLY 96 Ca -0.48 -0.06 -0.56 0.00 0.00 0.00 0.00 47.33 46.23 1gia h GLY 96 CO 0.58 0.05 -0.82 -0.35 0.00 0.00 0.00 176.54 176.00 1gia s ASP 97 N -6.89 2.23 0.41 0.19 -1.08 -1.26 -4.97 116.67 105.29 1gia s ASP 97 Ca -0.03 -0.37 0.12 0.00 -0.52 0.00 0.00 52.55 51.76 1gia s ASP 97 Cb 0.14 -0.97 0.96 0.00 -1.46 0.00 0.00 42.92 41.58 1gia s ASP 97 CO 0.75 -0.02 1.94 0.00 0.52 0.00 0.00 175.17 178.36 1gia h ALA 98 N 7.53 1.97 -0.09 3.66 0.00 -2.01 -1.48 119.26 128.85 1gia h ALA 98 Ca -0.31 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1gia h ALA 98 Cb 1.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1gia h ALA 98 CO 0.47 -0.15 0.12 0.00 0.00 0.00 0.00 179.25 179.69 1gia h ALA 99 N 1.65 1.60 -0.00 0.00 0.00 -1.98 -0.26 119.26 120.28 1gia h ALA 99 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1gia h ALA 99 Cb 0.64 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gia h ALA 99 CO -0.12 -0.16 0.01 0.00 0.00 0.00 0.00 179.25 178.98 1gia h ARG 100 N 0.00 0.00 -0.41 0.00 2.47 -1.69 -0.52 114.38 114.22 1gia h ARG 100 Ca 0.04 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1gia h ARG 100 Cb 0.28 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1gia h ARG 100 CO -0.00 0.00 0.13 0.00 0.56 0.00 0.00 179.97 180.66 1gia h ALA 101 N 1.99 1.46 0.00 0.04 0.00 -1.23 0.48 119.26 122.00 1gia h ALA 101 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1gia h ALA 101 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1gia h ALA 101 CO -0.00 0.40 -0.87 -0.44 0.00 0.00 0.00 179.25 178.34 1gia h ASP 102 N 0.59 0.25 -0.46 0.00 3.32 -1.28 -2.62 116.42 116.22 1gia h ASP 102 Ca 0.14 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1gia h ASP 102 Cb 0.17 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1gia h ASP 102 CO -0.01 1.00 -0.08 0.44 -1.72 0.00 0.00 179.24 178.87 1gia h ASP 103 N 0.11 0.87 -0.92 6.45 3.32 -1.38 -1.83 116.42 123.04 1gia h ASP 103 Ca -0.04 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 56.69 1gia h ASP 103 Cb 1.50 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.76 1gia h ASP 103 CO 0.13 1.01 0.60 0.00 -1.72 0.00 0.00 179.24 179.27 1gia h ALA 104 N 0.89 1.41 0.03 3.45 0.00 -0.86 0.65 119.26 124.83 1gia h ALA 104 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gia h ALA 104 Cb 0.62 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gia h ALA 104 CO 0.04 0.51 -0.02 -0.09 0.00 0.00 0.00 179.25 179.69 1gia h ARG 105 N 1.17 -0.04 -0.53 0.00 2.43 -1.26 -2.98 114.38 113.16 1gia h ARG 105 Ca 0.36 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.56 1gia h ARG 105 Cb -0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1gia h ARG 105 CO -0.11 0.15 0.35 1.96 -1.51 0.00 0.00 179.97 180.82 1gia h GLN 106 N -0.24 0.60 -0.27 0.20 1.08 -0.64 -2.88 115.11 112.97 1gia h GLN 106 Ca -0.00 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.22 1gia h GLN 106 Cb 0.22 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 1gia h GLN 106 CO 0.01 0.40 -0.15 1.25 -0.95 0.00 0.00 178.83 179.38 1gia h LEU 107 N 0.62 -0.51 -0.54 1.46 5.85 -0.73 -1.05 115.31 120.40 1gia h LEU 107 Ca 0.21 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 1gia h LEU 107 Cb 0.07 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1gia h LEU 107 CO -0.05 -0.19 0.11 -0.26 -0.34 0.00 0.00 178.44 177.71 1gia h PHE 108 N -0.13 0.93 -0.93 1.25 0.04 -1.53 0.32 116.94 116.90 1gia h PHE 108 Ca 0.15 -0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.84 1gia h PHE 108 Cb 0.35 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 1gia h PHE 108 CO -0.34 0.82 0.61 0.28 -0.60 0.00 0.00 178.31 179.08 1gia h VAL 109 N 0.78 1.13 0.00 -0.55 2.07 -1.38 -3.00 116.25 115.30 1gia h VAL 109 Ca 0.17 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1gia h VAL 109 Cb 0.37 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1gia h VAL 109 CO 0.01 0.21 -1.07 0.18 0.02 0.00 0.00 177.57 176.91 1gia n LEU 110 N -4.46 0.61 -0.24 2.57 4.77 -0.43 -4.53 117.00 115.29 1gia n LEU 110 Ca 0.13 -0.05 0.24 0.00 -0.03 0.00 0.00 56.01 56.31 1gia n LEU 110 Cb 0.13 -0.09 0.61 0.00 -2.33 0.00 0.00 43.42 41.74 1gia n LEU 110 CO 0.34 0.05 1.24 0.00 -1.33 0.00 0.00 177.39 177.70 1gia h ALA 111 N 2.54 2.51 -0.92 -1.18 0.00 -0.21 -2.97 119.26 119.02 1gia h ALA 111 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1gia h ALA 111 Cb 0.73 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1gia h ALA 111 CO 0.00 -0.81 0.59 0.78 0.00 0.00 0.00 179.25 179.81 1gia h GLY 112 N 0.23 1.27 0.93 0.00 0.00 -1.79 -2.79 103.07 100.93 1gia h GLY 112 Ca 0.49 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1gia h GLY 112 CO -0.13 0.05 0.10 0.00 0.00 0.00 0.00 176.54 176.56 1gia h ALA 113 N 1.60 0.25 -0.76 3.60 0.00 -1.82 -3.09 119.26 119.05 1gia h ALA 113 Ca 0.48 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.43 1gia h ALA 113 Cb 0.83 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1gia h ALA 113 CO -0.24 -0.21 0.37 0.00 0.00 0.00 0.00 179.25 179.18 1gia h ALA 114 N 0.98 1.07 -0.94 0.00 0.00 -1.01 0.15 119.26 119.52 1gia h ALA 114 Ca 0.07 0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.19 1gia h ALA 114 Cb 0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1gia h ALA 114 CO -0.01 -0.06 0.60 0.93 0.00 0.00 0.00 179.25 180.70 1gia h GLU 115 N 0.60 0.75 -0.08 0.00 5.08 -1.53 0.15 114.58 119.55 1gia h GLU 115 Ca 0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1gia h GLU 115 Cb 0.46 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1gia h GLU 115 CO -0.31 0.49 0.00 0.39 -1.00 0.00 0.00 179.01 178.59 1gia n GLU 116 N -4.60 1.23 -0.61 2.33 -0.58 0.46 -4.85 120.64 114.02 1gia n GLU 116 Ca 0.19 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1gia n GLU 116 Cb 0.46 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1gia n GLU 116 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1gia n GLY 117 N 0.75 0.64 3.44 0.62 0.00 0.54 -4.99 105.19 106.19 1gia n GLY 117 Ca 0.08 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1gia n GLY 117 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gia s PHE 118 N -2.00 2.57 -0.11 1.61 0.40 -0.71 -4.84 117.98 114.91 1gia s PHE 118 Ca 0.00 -0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1gia s PHE 118 Cb 0.00 -1.53 0.04 0.00 0.51 0.00 0.00 43.02 42.04 1gia s PHE 118 CO 0.00 0.18 0.05 1.41 0.70 0.00 0.00 175.22 177.56 1gia s MET 119 N -1.04 0.24 0.23 0.44 1.75 -1.26 -1.62 119.30 118.05 1gia s MET 119 Ca 0.13 0.07 -0.07 0.00 -1.25 0.00 0.00 55.69 54.57 1gia s MET 119 Cb -0.10 -1.22 -0.06 0.00 2.84 0.00 0.00 34.83 36.28 1gia s MET 119 CO 0.02 -0.46 0.51 0.95 -0.65 0.00 0.00 175.02 175.39 1gia s THR 120 N 2.06 5.02 0.46 10.11 -4.23 -1.26 -4.97 115.64 122.84 1gia s THR 120 Ca 0.03 0.20 0.15 0.00 -1.18 0.00 0.00 61.69 60.90 1gia s THR 120 Cb -0.14 -3.66 0.32 0.00 1.34 0.00 0.00 72.50 70.36 1gia s THR 120 CO -0.06 -0.14 2.02 0.00 -0.54 0.00 0.00 174.62 175.89 1gia h ALA 121 N 2.27 2.06 -0.46 3.99 0.00 -2.00 -0.79 119.26 124.32 1gia h ALA 121 Ca -0.47 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1gia h ALA 121 Cb 1.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1gia h ALA 121 CO 0.69 -0.16 -0.03 1.49 0.00 0.00 0.00 179.25 181.23 1gia h GLU 122 N 0.30 0.84 -0.60 0.00 4.81 -1.99 -1.42 114.58 116.52 1gia h GLU 122 Ca 0.22 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1gia h GLU 122 Cb 0.47 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1gia h GLU 122 CO -0.05 0.91 0.05 1.25 -0.73 0.00 0.00 179.01 180.45 1gia h LEU 123 N 0.69 0.99 -0.85 1.64 5.85 -1.57 -2.13 115.31 119.92 1gia h LEU 123 Ca 0.13 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1gia h LEU 123 Cb 0.55 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1gia h LEU 123 CO 0.03 1.03 0.56 0.00 -0.34 0.00 0.00 178.44 179.72 1gia h ALA 124 N 1.00 1.09 -0.56 1.25 0.00 -1.18 -1.92 119.26 118.94 1gia h ALA 124 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1gia h ALA 124 Cb 0.48 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1gia h ALA 124 CO 0.02 0.47 0.05 0.78 0.00 0.00 0.00 179.25 180.57 1gia h GLY 125 N 1.14 1.03 0.99 0.00 0.00 -0.96 -0.74 103.07 104.54 1gia h GLY 125 Ca 0.32 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1gia h GLY 125 CO -0.08 0.67 0.11 -2.08 0.00 0.00 0.00 176.54 175.16 1gia h VAL 126 N 0.84 1.05 -0.43 4.60 2.07 -1.04 -2.15 116.25 121.19 1gia h VAL 126 Ca 0.16 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1gia h VAL 126 Cb 0.47 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1gia h VAL 126 CO 0.02 0.05 -0.05 0.40 0.02 0.00 0.00 177.57 178.01 1gia h ILE 127 N 0.22 1.27 -0.68 4.57 2.04 -1.24 -2.15 117.51 121.54 1gia h ILE 127 Ca 0.06 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1gia h ILE 127 Cb -0.01 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1gia h ILE 127 CO -0.01 0.38 0.38 0.50 0.00 0.00 0.00 178.15 179.40 1gia h LYS 128 N 0.62 0.94 -0.69 2.37 3.64 -1.08 0.27 116.57 122.64 1gia h LYS 128 Ca 0.11 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1gia h LYS 128 Cb 0.57 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1gia h LYS 128 CO 0.03 0.70 0.13 0.00 -2.27 0.00 0.00 179.45 178.04 1gia h ARG 129 N 0.93 1.14 -0.39 1.90 3.08 -1.31 -2.46 114.38 117.27 1gia h ARG 129 Ca 0.24 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1gia h ARG 129 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1gia h ARG 129 CO -0.04 1.02 0.14 -0.07 -1.07 0.00 0.00 179.97 179.95 1gia h LEU 130 N 1.07 0.56 -1.36 3.04 3.38 -0.87 -2.95 115.31 118.17 1gia h LEU 130 Ca 0.21 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1gia h LEU 130 Cb 0.42 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1gia h LEU 130 CO 0.01 0.60 0.44 -0.25 0.09 0.00 0.00 178.44 179.33 1gia h TRP 131 N 0.49 0.81 0.00 1.13 -0.00 -0.81 -1.72 115.95 115.84 1gia h TRP 131 Ca 0.13 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.04 1gia h TRP 131 Cb 0.23 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 29.12 1gia h TRP 131 CO 0.01 0.49 0.00 1.63 -0.00 0.00 0.00 178.44 180.57 1gia n LYS 132 N -4.45 0.21 -1.95 2.65 5.02 -0.94 -4.52 118.16 114.20 1gia n LYS 132 Ca 0.08 0.20 -0.41 0.00 -2.02 0.00 0.00 58.31 56.16 1gia n LYS 132 Cb 0.08 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 1gia n LYS 132 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1gia s ASP 133 N -4.26 6.56 0.38 4.39 2.15 -0.65 -4.90 116.67 120.33 1gia s ASP 133 Ca 0.10 2.82 0.08 0.00 0.43 0.00 0.00 52.55 55.99 1gia s ASP 133 Cb 0.13 -2.64 0.74 0.00 -0.30 0.00 0.00 42.92 40.85 1gia s ASP 133 CO 0.56 -0.74 1.91 0.77 -0.17 0.00 0.00 175.17 177.50 1gia h SER 134 N 3.98 0.28 0.01 -0.34 4.64 -1.89 -1.09 113.55 119.14 1gia h SER 134 Ca -0.48 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 60.62 1gia h SER 134 Cb 1.23 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1gia h SER 134 CO 0.71 0.42 -0.55 1.23 -0.87 0.00 0.00 176.83 177.77 1gia h GLY 135 N 0.76 0.63 1.03 -0.77 0.00 -1.87 -1.41 103.07 101.44 1gia h GLY 135 Ca 0.06 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.54 1gia h GLY 135 CO 0.02 0.66 -0.16 -2.08 0.00 0.00 0.00 176.54 174.99 1gia h VAL 136 N 0.44 1.28 -0.64 4.60 2.07 -1.68 -2.36 116.25 119.96 1gia h VAL 136 Ca 0.01 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.16 1gia h VAL 136 Cb 1.10 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1gia h VAL 136 CO 0.11 0.44 0.07 1.56 0.02 0.00 0.00 177.57 179.76 1gia h GLN 137 N 0.69 1.08 -0.80 1.57 1.08 -1.14 0.23 115.11 117.81 1gia h GLN 137 Ca 0.10 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1gia h GLN 137 Cb 0.71 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 1gia h GLN 137 CO 0.05 1.01 0.42 0.00 -0.95 0.00 0.00 178.83 179.36 1gia h ALA 138 N 1.06 1.23 -0.13 3.87 0.00 -1.13 0.16 119.26 124.33 1gia h ALA 138 Ca 0.19 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1gia h ALA 138 Cb 0.48 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1gia h ALA 138 CO 0.02 0.61 -0.72 0.00 0.00 0.00 0.00 179.25 179.16 1gia h PHE 140 N 0.40 1.11 0.00 0.00 3.57 0.81 -0.12 116.94 122.72 1gia h PHE 140 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1gia h PHE 140 Cb 1.31 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1gia h PHE 140 CO 0.06 0.61 0.00 0.09 -2.23 0.00 0.00 178.31 176.84 1gia n ASN 141 N -4.46 0.00 -0.51 0.41 3.02 0.41 -2.44 115.26 111.68 1gia n ASN 141 Ca 0.13 -0.86 0.06 0.00 -0.03 0.00 0.00 54.58 53.88 1gia n ASN 141 Cb 0.14 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.50 1gia n ASN 141 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1gia n ARG 142 N -0.91 1.62 0.26 3.52 1.74 -0.06 -4.83 116.66 117.99 1gia n ARG 142 Ca 0.15 -3.00 0.18 0.00 -0.77 0.00 0.00 57.85 54.40 1gia n ARG 142 Cb 0.07 -1.62 0.86 0.00 -1.02 0.00 0.00 32.46 30.74 1gia n ARG 142 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1gia h SER 143 N 0.71 0.00 0.78 0.55 4.64 -1.48 -1.01 113.55 117.75 1gia h SER 143 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1gia h SER 143 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1gia h SER 143 CO 0.07 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 176.11 1gia h ARG 144 N 0.00 0.00 -0.00 4.77 0.11 -1.89 -2.45 114.38 114.92 1gia h ARG 144 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1gia h ARG 144 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1gia h ARG 144 CO -0.00 0.00 -0.02 0.39 0.10 0.00 0.00 179.97 180.44 1gia n GLU 145 N -2.57 0.78 -1.16 0.08 1.02 -0.38 -4.69 120.64 113.72 1gia n GLU 145 Ca 0.01 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1gia n GLU 145 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1gia n GLU 145 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1gia n TYR 146 N -1.03 -0.39 -3.99 -0.32 4.11 -0.92 -5.15 117.16 109.47 1gia n TYR 146 Ca 0.19 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.74 1gia n TYR 146 Cb 0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.40 1gia n TYR 146 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1gia s GLN 147 N -1.33 3.44 -0.02 -3.48 -1.52 -1.26 -4.95 119.66 110.55 1gia s GLN 147 Ca 0.00 -0.60 -0.01 0.00 -1.95 0.00 0.00 55.36 52.80 1gia s GLN 147 Cb 0.00 -3.02 0.01 0.00 -0.22 0.00 0.00 33.01 29.79 1gia s GLN 147 CO 0.00 -0.13 0.03 -1.17 -0.25 0.00 0.00 175.29 173.77 1gia s LEU 148 N 1.32 1.56 0.37 2.90 2.96 -1.26 -4.94 118.68 121.58 1gia s LEU 148 Ca 0.04 0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.72 1gia s LEU 148 Cb -0.14 0.04 -0.11 0.00 0.50 0.00 0.00 46.19 46.48 1gia s LEU 148 CO -0.01 -0.06 1.47 0.20 -1.32 0.00 0.00 176.35 176.63 1gia s ASN 149 N 0.44 6.38 0.30 3.68 0.01 -1.26 -4.92 114.94 119.58 1gia s ASN 149 Ca -0.04 3.02 0.00 0.00 -0.71 0.00 0.00 52.86 55.13 1gia s ASN 149 Cb -0.05 -2.67 0.51 0.00 0.41 0.00 0.00 41.25 39.45 1gia s ASN 149 CO -0.01 -0.85 1.92 0.44 -1.51 0.00 0.00 177.10 177.09 1gia h ASP 150 N 3.06 0.92 -0.04 -1.22 3.32 -2.00 -1.79 116.42 118.67 1gia h ASP 150 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1gia h ASP 150 Cb 1.24 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1gia h ASP 150 CO 0.64 0.60 0.00 -1.20 -1.72 0.00 0.00 179.24 177.57 1gia n SER 151 N -4.47 0.24 -0.01 6.45 7.64 -1.26 -4.37 113.62 117.83 1gia n SER 151 Ca 0.13 -1.78 -0.09 0.00 1.01 0.00 0.00 58.87 58.13 1gia n SER 151 Cb 0.17 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1gia n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gia h ALA 152 N 3.31 -0.19 -0.36 -0.43 0.00 -1.69 -2.73 119.26 117.17 1gia h ALA 152 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1gia h ALA 152 Cb 0.06 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1gia h ALA 152 CO 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 179.25 178.39 1gia h ALA 153 N 0.69 1.04 -0.25 0.00 0.00 -1.84 -1.18 119.26 117.72 1gia h ALA 153 Ca 0.11 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1gia h ALA 153 Cb 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1gia h ALA 153 CO -0.32 0.58 -0.03 -0.92 0.00 0.00 0.00 179.25 178.55 1gia h TYR 154 N 0.59 -0.07 -0.01 0.00 3.20 -1.77 -0.15 116.97 118.75 1gia h TYR 154 Ca 0.10 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 1gia h TYR 154 Cb 0.62 0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.97 1gia h TYR 154 CO 0.03 -0.07 -0.41 1.88 -1.64 0.00 0.00 178.16 177.94 1gia h TYR 155 N 0.04 0.43 -0.51 -3.82 0.05 -1.42 -3.16 116.97 108.58 1gia h TYR 155 Ca 0.12 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 1gia h TYR 155 Cb 0.17 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 1gia h TYR 155 CO -0.23 1.03 0.31 -0.07 -1.05 0.00 0.00 178.16 178.16 1gia h LEU 156 N -0.30 0.60 -0.30 3.88 3.38 -1.14 -1.26 115.31 120.17 1gia h LEU 156 Ca -0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1gia h LEU 156 Cb 1.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1gia h LEU 156 CO 0.08 0.46 0.00 0.78 0.09 0.00 0.00 178.44 179.85 1gia h ASN 157 N 0.69 0.00 -0.39 -0.43 2.35 -1.12 -3.24 115.58 113.45 1gia h ASN 157 Ca 0.18 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.79 1gia h ASN 157 Cb -0.04 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.25 1gia h ASN 157 CO -0.04 0.00 0.02 0.47 -1.65 0.00 0.00 177.43 176.24 1gia n ASP 158 N -2.55 3.17 -0.33 5.81 8.00 -0.50 -4.76 116.55 125.38 1gia n ASP 158 Ca 0.04 -3.48 0.05 0.00 0.71 0.00 0.00 54.79 52.12 1gia n ASP 158 Cb 0.40 -0.63 0.21 0.00 -0.02 0.00 0.00 41.12 41.08 1gia n ASP 158 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1gia h LEU 159 N 1.34 0.81 -0.87 0.64 5.85 -1.52 -1.81 115.31 119.76 1gia h LEU 159 Ca 0.18 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1gia h LEU 159 Cb 1.71 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.58 1gia h LEU 159 CO 0.41 0.44 0.56 0.44 -0.34 0.00 0.00 178.44 179.95 1gia h ASP 160 N 0.90 0.94 -0.06 1.25 3.32 -1.90 0.02 116.42 120.89 1gia h ASP 160 Ca 0.45 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 1gia h ASP 160 Cb 0.44 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1gia h ASP 160 CO -0.26 0.65 -0.16 -0.09 -1.72 0.00 0.00 179.24 177.66 1gia h ARG 161 N 1.10 0.21 0.00 3.56 2.43 -1.74 -3.28 114.38 116.67 1gia h ARG 161 Ca 0.34 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1gia h ARG 161 Cb -0.02 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1gia h ARG 161 CO -0.11 0.76 0.00 -0.84 -1.51 0.00 0.00 179.97 178.27 1gia h ILE 162 N -0.30 0.00 -0.09 1.20 3.07 -1.29 -2.97 117.51 117.13 1gia h ILE 162 Ca -0.00 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1gia h ILE 162 Cb 0.77 1.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 1gia h ILE 162 CO 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.13 1gia n ALA 163 N -2.05 2.56 -1.52 0.16 0.00 -0.02 -4.84 120.51 114.81 1gia n ALA 163 Ca 0.02 -0.41 -0.35 0.00 0.00 0.00 0.00 53.44 52.70 1gia n ALA 163 Cb 0.38 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.73 1gia n ALA 163 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1gia s GLN 164 N -1.90 2.45 0.13 0.00 -0.21 -1.13 -4.79 119.66 114.22 1gia s GLN 164 Ca 0.34 1.79 -0.30 0.00 0.02 0.00 0.00 55.36 57.22 1gia s GLN 164 Cb 0.18 -1.87 -0.07 0.00 1.00 0.00 0.00 33.01 32.26 1gia s GLN 164 CO 0.28 -1.61 1.06 -2.14 -2.12 0.00 0.00 175.29 170.76 1gia s PRO 165 N -3.71 4.61 -0.55 2.91 0.02 -1.26 -2.73 135.00 134.30 1gia s PRO 165 Ca 0.76 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1gia s PRO 165 Cb -0.30 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 30.89 1gia s PRO 165 CO 0.41 0.08 0.00 0.09 -0.33 0.00 0.00 177.00 177.25 1gia n ASN 166 N 2.76 -2.51 -4.73 2.53 3.02 -1.26 -4.99 115.26 110.07 1gia n ASN 166 Ca 0.03 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 1gia n ASN 166 Cb 0.47 -1.86 -0.03 0.00 -0.61 0.00 0.00 39.78 37.75 1gia n ASN 166 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1gia s TYR 167 N -2.32 3.31 -0.14 3.10 5.04 -1.10 -5.03 117.35 120.21 1gia s TYR 167 Ca 0.00 1.26 0.01 0.00 -2.44 0.00 0.00 57.07 55.90 1gia s TYR 167 Cb 0.00 -3.55 0.02 0.00 0.35 0.00 0.00 41.96 38.78 1gia s TYR 167 CO 0.00 -1.71 -0.14 0.42 -1.34 0.00 0.00 175.55 172.78 1gia s ILE 168 N 0.18 1.50 0.27 3.14 1.01 -1.26 -5.02 121.20 121.03 1gia s ILE 168 Ca 0.56 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 1gia s ILE 168 Cb -0.35 -1.41 -0.14 0.00 0.01 0.00 0.00 42.46 40.57 1gia s ILE 168 CO 0.37 0.45 1.08 -2.65 0.00 0.00 0.00 174.94 174.18 1gia n PRO 169 N 4.66 1.42 -2.16 2.79 -0.02 -1.26 -4.99 135.00 135.43 1gia n PRO 169 Ca -0.17 0.50 -0.27 0.00 -2.02 0.00 0.00 63.50 61.54 1gia n PRO 169 Cb 0.50 -1.92 0.12 0.00 -0.02 0.00 0.00 33.50 32.18 1gia n PRO 169 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gia s THR 170 N -0.85 2.12 0.25 3.45 -4.23 -1.26 -4.86 115.64 110.26 1gia s THR 170 Ca 0.61 -0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.85 1gia s THR 170 Cb -0.71 -2.91 0.25 0.00 1.34 0.00 0.00 72.50 70.47 1gia s THR 170 CO 0.58 0.00 1.92 1.56 -0.54 0.00 0.00 174.62 178.14 1gia h GLN 171 N -0.99 1.31 -0.33 3.99 1.08 -1.94 -1.74 115.11 116.49 1gia h GLN 171 Ca -0.43 -0.09 -0.12 0.00 -1.45 0.00 0.00 58.65 56.56 1gia h GLN 171 Cb 1.28 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 1gia h GLN 171 CO 0.49 0.88 -0.30 0.37 -0.95 0.00 0.00 178.83 179.33 1gia h GLN 172 N 1.35 0.71 -0.87 1.46 5.75 -1.94 -1.32 115.11 120.24 1gia h GLN 172 Ca 0.36 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1gia h GLN 172 Cb -0.13 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 1gia h GLN 172 CO -0.08 0.92 0.49 -0.44 -2.65 0.00 0.00 178.83 177.07 1gia h ASP 173 N 0.61 1.09 0.02 -0.69 3.32 -1.79 -0.91 116.42 118.06 1gia h ASP 173 Ca 0.07 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1gia h ASP 173 Cb 0.81 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1gia h ASP 173 CO 0.07 0.87 -0.01 0.58 -1.72 0.00 0.00 179.24 179.02 1gia h VAL 174 N 1.22 1.04 0.00 -1.35 2.07 -0.97 -2.65 116.25 115.61 1gia h VAL 174 Ca 0.31 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 1gia h VAL 174 Cb 0.01 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1gia h VAL 174 CO -0.05 0.05 -0.01 -0.07 0.02 0.00 0.00 177.57 177.50 1gia h LEU 175 N -0.10 0.00 0.00 2.57 3.38 -0.94 -2.34 115.31 117.88 1gia h LEU 175 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gia h LEU 175 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1gia h LEU 175 CO 0.00 0.01 -0.19 0.54 0.09 0.00 0.00 178.44 178.90 1gia n ARG 176 N -4.08 0.01 -1.98 1.13 5.12 -0.37 -4.90 116.66 111.58 1gia n ARG 176 Ca -0.03 0.01 -0.35 0.00 -1.93 0.00 0.00 57.85 55.55 1gia n ARG 176 Cb 0.10 -1.51 0.03 0.00 -1.16 0.00 0.00 32.46 29.92 1gia n ARG 176 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1gia s THR 177 N -3.01 2.81 -0.19 0.55 -4.23 -0.88 -4.72 115.64 105.97 1gia s THR 177 Ca 0.13 0.48 0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1gia s THR 177 Cb 0.18 -3.14 0.04 0.00 1.34 0.00 0.00 72.50 70.93 1gia s THR 177 CO 0.59 -0.14 -0.11 -0.60 -0.54 0.00 0.00 174.62 173.83 1gia s ARG 178 N -3.48 2.08 -0.05 3.99 3.00 -1.26 -5.03 118.95 118.20 1gia s ARG 178 Ca 0.75 -0.82 -0.02 0.00 -1.00 0.00 0.00 55.73 54.64 1gia s ARG 178 Cb -0.27 -2.39 0.03 0.00 0.00 0.00 0.00 34.95 32.32 1gia s ARG 178 CO 0.34 -0.40 0.04 0.08 0.00 0.00 0.00 175.30 175.36 1gia s VAL 179 N 1.40 0.02 0.18 7.11 1.01 -1.26 -4.95 120.40 123.91 1gia s VAL 179 Ca -0.01 0.34 -0.32 0.00 0.00 0.00 0.00 61.98 62.00 1gia s VAL 179 Cb -0.16 -0.25 -0.11 0.00 0.00 0.00 0.00 36.38 35.87 1gia s VAL 179 CO -0.09 0.20 1.62 -0.54 0.00 0.00 0.00 175.10 176.29 1gia s LYS 180 N 2.08 4.19 0.00 2.72 1.02 -1.26 -4.97 119.74 123.51 1gia s LYS 180 Ca 0.04 2.44 -0.28 0.00 0.02 0.00 0.00 55.97 58.20 1gia s LYS 180 Cb -0.12 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1gia s LYS 180 CO -0.04 -0.66 0.88 0.99 -0.92 0.00 0.00 175.35 175.60 1gia s THR 181 N 1.19 4.86 0.10 2.17 2.01 -1.26 -5.06 115.64 119.65 1gia s THR 181 Ca 0.72 1.84 0.06 0.00 0.31 0.00 0.00 61.69 64.62 1gia s THR 181 Cb -0.46 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 67.80 1gia s THR 181 CO 0.31 0.23 -0.16 0.42 -0.69 0.00 0.00 174.62 174.73 1gia s THR 182 N 0.70 1.40 0.00 -0.82 -4.23 -1.26 -3.74 115.64 107.69 1gia s THR 182 Ca 0.46 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1gia s THR 182 Cb -0.20 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.24 1gia s THR 182 CO 0.25 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1gia n GLY 183 N 0.95 -1.49 3.09 3.99 0.00 -1.26 -4.79 105.19 105.68 1gia n GLY 183 Ca -0.19 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 1gia n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gia s ILE 184 N 0.00 1.81 -0.14 -0.61 1.01 -1.26 -4.32 121.20 117.69 1gia s ILE 184 Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 1gia s ILE 184 Cb 0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1gia s ILE 184 CO 0.00 0.50 0.13 -0.69 0.00 0.00 0.00 174.94 174.88 1gia s VAL 185 N 1.16 5.44 -0.09 2.92 1.01 -0.26 -4.97 120.40 125.60 1gia s VAL 185 Ca -0.01 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1gia s VAL 185 Cb -0.14 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1gia s VAL 185 CO -0.07 0.57 -0.19 -0.70 0.00 0.00 0.00 175.10 174.70 1gia s GLU 186 N -0.61 2.53 0.01 2.72 2.12 -1.26 -1.51 118.70 122.70 1gia s GLU 186 Ca 0.13 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 54.80 1gia s GLU 186 Cb -0.12 -1.98 -0.01 0.00 0.26 0.00 0.00 34.13 32.28 1gia s GLU 186 CO 0.02 0.09 -0.13 0.99 -0.54 0.00 0.00 175.26 175.69 1gia s THR 187 N 0.54 1.06 0.09 -1.70 2.01 -0.42 -4.98 115.64 112.24 1gia s THR 187 Ca -0.16 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1gia s THR 187 Cb -0.17 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1gia s THR 187 CO 0.06 0.18 -0.22 -1.00 -0.69 0.00 0.00 174.62 172.94 1gia s HIS 188 N -0.52 1.90 -0.05 4.92 3.76 -1.26 0.14 115.29 124.18 1gia s HIS 188 Ca 0.04 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 1gia s HIS 188 Cb -0.06 -1.06 0.11 0.00 1.11 0.00 0.00 32.58 32.67 1gia s HIS 188 CO 0.00 0.20 0.89 -0.59 -0.85 0.00 0.00 174.74 174.39 1gia s PHE 189 N -1.05 -0.39 -0.09 1.40 -0.71 -0.83 -5.00 117.98 111.32 1gia s PHE 189 Ca 0.08 0.42 -0.00 0.00 -1.04 0.00 0.00 56.93 56.39 1gia s PHE 189 Cb -0.10 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.19 1gia s PHE 189 CO 0.04 -0.50 -0.07 0.99 -1.34 0.00 0.00 175.22 174.34 1gia s THR 190 N -2.37 3.65 -0.19 -4.49 2.01 -1.26 0.62 115.64 113.60 1gia s THR 190 Ca 0.01 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 1gia s THR 190 Cb -0.01 -2.52 0.06 0.00 0.01 0.00 0.00 72.50 70.05 1gia s THR 190 CO -0.04 0.57 0.48 0.12 -0.69 0.00 0.00 174.62 175.06 1gia s PHE 191 N -0.43 -0.68 -1.49 4.92 5.36 0.11 -4.91 117.98 120.85 1gia s PHE 191 Ca 0.06 1.46 -0.09 0.00 -0.96 0.00 0.00 56.93 57.41 1gia s PHE 191 Cb -0.12 0.32 0.06 0.00 -0.34 0.00 0.00 43.02 42.95 1gia s PHE 191 CO 0.02 -0.36 0.77 1.63 -1.46 0.00 0.00 175.22 175.81 1gia n LYS 192 N 3.99 -4.47 -1.79 10.12 5.02 -1.26 -0.48 118.16 129.29 1gia n LYS 192 Ca -0.21 0.52 -0.21 0.00 -2.02 0.00 0.00 58.31 56.39 1gia n LYS 192 Cb 0.56 -5.14 -0.07 0.00 -0.02 0.00 0.00 35.03 30.36 1gia n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1gia n ASP 193 N -2.88 -5.59 -4.34 4.39 8.00 -1.26 -4.97 116.55 109.90 1gia n ASP 193 Ca -0.10 0.39 -0.32 0.00 0.71 0.00 0.00 54.79 55.47 1gia n ASP 193 Cb 0.59 -4.87 -0.15 0.00 -0.02 0.00 0.00 41.12 36.67 1gia n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gia s LEU 194 N -5.06 2.44 -0.31 0.64 1.43 0.37 -5.10 118.68 113.09 1gia s LEU 194 Ca 0.00 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1gia s LEU 194 Cb 0.00 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 1gia s LEU 194 CO 0.00 0.22 0.38 -2.28 0.23 0.00 0.00 176.35 174.90 1gia s HIS 195 N 0.01 3.22 -0.01 0.29 5.65 -1.26 -0.71 115.29 122.48 1gia s HIS 195 Ca -0.06 0.17 -0.07 0.00 0.25 0.00 0.00 55.06 55.35 1gia s HIS 195 Cb -0.15 -2.66 -0.05 0.00 -1.18 0.00 0.00 32.58 28.55 1gia s HIS 195 CO 0.05 -0.36 0.26 -0.06 -0.65 0.00 0.00 174.74 173.98 1gia s PHE 196 N 2.08 3.59 -0.26 3.88 0.40 0.20 -2.00 117.98 125.87 1gia s PHE 196 Ca 0.14 0.59 0.01 0.00 -0.60 0.00 0.00 56.93 57.07 1gia s PHE 196 Cb -0.16 -2.00 0.07 0.00 0.51 0.00 0.00 43.02 41.44 1gia s PHE 196 CO 0.11 0.63 -0.02 0.15 0.70 0.00 0.00 175.22 176.79 1gia s LYS 197 N -1.62 1.50 -0.17 0.44 1.02 -0.12 -1.96 119.74 118.82 1gia s LYS 197 Ca 0.26 -1.15 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 1gia s LYS 197 Cb -0.13 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1gia s LYS 197 CO 0.14 -0.70 0.07 1.41 -0.92 0.00 0.00 175.35 175.36 1gia s MET 198 N 1.34 3.91 -0.10 1.68 1.75 0.12 -1.43 119.30 126.57 1gia s MET 198 Ca -0.01 -0.31 -0.00 0.00 -1.25 0.00 0.00 55.69 54.11 1gia s MET 198 Cb -0.19 -3.22 -0.03 0.00 2.84 0.00 0.00 34.83 34.24 1gia s MET 198 CO -0.09 0.35 -0.07 -0.06 -0.65 0.00 0.00 175.02 174.49 1gia s PHE 199 N 0.17 2.93 -0.03 4.11 0.40 0.86 -1.30 117.98 125.11 1gia s PHE 199 Ca 0.05 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.23 1gia s PHE 199 Cb -0.12 -1.80 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 1gia s PHE 199 CO 0.00 0.13 -0.14 0.34 0.70 0.00 0.00 175.22 176.25 1gia s ASP 200 N -0.28 1.70 0.16 1.36 2.15 -0.57 -1.35 116.67 119.85 1gia s ASP 200 Ca 0.04 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.75 1gia s ASP 200 Cb -0.13 -0.39 -0.04 0.00 -0.30 0.00 0.00 42.92 42.06 1gia s ASP 200 CO 0.03 0.13 0.04 0.68 -0.17 0.00 0.00 175.17 175.87 1gia s VAL 201 N -0.01 0.39 0.35 1.11 -7.23 -1.26 -1.10 120.40 112.65 1gia s VAL 201 Ca -0.01 -1.95 -0.25 0.00 -1.81 0.00 0.00 61.98 57.95 1gia s VAL 201 Cb -0.09 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.60 1gia s VAL 201 CO 0.01 -0.40 1.00 -0.83 -0.31 0.00 0.00 175.10 174.57 1gia s GLY 202 N -3.13 2.78 0.00 2.32 0.00 -1.25 -4.92 107.32 103.12 1gia s GLY 202 Ca 0.26 0.62 0.22 0.00 0.00 0.00 0.00 44.72 45.82 1gia s GLY 202 CO 0.04 1.06 1.01 0.61 0.00 0.00 0.00 173.10 175.82 1gia n GLY 203 N 0.47 -1.02 3.77 0.20 0.00 -1.26 -4.28 105.19 103.08 1gia n GLY 203 Ca 0.03 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1gia n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gia s GLN 204 N -2.99 3.30 0.32 1.61 -0.21 -1.26 -2.79 119.66 117.64 1gia s GLN 204 Ca 0.09 1.57 0.11 0.00 0.02 0.00 0.00 55.36 57.15 1gia s GLN 204 Cb 0.16 -2.00 1.00 0.00 1.00 0.00 0.00 33.01 33.17 1gia s GLN 204 CO 0.83 -0.89 1.47 0.54 -2.12 0.00 0.00 175.29 175.12 1gia n ARG 205 N -1.44 -0.06 0.26 2.91 1.74 -1.26 -0.50 116.66 118.30 1gia n ARG 205 Ca 0.11 1.34 0.17 0.00 -0.77 0.00 0.00 57.85 58.71 1gia n ARG 205 Cb 0.51 -2.27 0.69 0.00 -1.02 0.00 0.00 32.46 30.37 1gia n ARG 205 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1gia h SER 206 N 0.00 0.00 0.22 0.55 4.64 -1.97 -3.11 113.55 113.88 1gia h SER 206 Ca 0.69 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1gia h SER 206 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1gia h SER 206 CO -0.80 0.00 -1.54 -0.62 -0.87 0.00 0.00 176.83 173.00 1gia n GLU 207 N -2.98 0.49 0.31 4.77 -0.58 0.34 -4.38 120.64 118.62 1gia n GLU 207 Ca 0.01 -0.09 0.19 0.00 -0.42 0.00 0.00 57.16 56.84 1gia n GLU 207 Cb 0.28 -1.57 1.04 0.00 -0.57 0.00 0.00 31.44 30.62 1gia n GLU 207 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gia h ARG 208 N 0.00 0.00 0.00 3.49 3.08 -1.45 -0.51 114.38 118.99 1gia h ARG 208 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gia h ARG 208 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1gia h ARG 208 CO 0.00 0.01 0.00 1.57 -1.07 0.00 0.00 179.97 180.48 1gia h LYS 209 N 0.00 0.00 0.00 0.04 2.10 -1.77 -2.53 116.57 114.41 1gia h LYS 209 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1gia h LYS 209 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1gia h LYS 209 CO 0.00 0.00 -0.39 1.63 -2.00 0.00 0.00 179.45 178.69 1gia n LYS 210 N -2.59 0.02 -0.37 0.07 5.02 -0.20 -4.13 118.16 115.97 1gia n LYS 210 Ca 0.01 0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.31 1gia n LYS 210 Cb 0.21 -1.51 0.16 0.00 -0.02 0.00 0.00 35.03 33.87 1gia n LYS 210 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1gia h TRP 211 N 0.00 1.22 -0.16 2.13 4.06 -1.57 -2.59 115.95 119.05 1gia h TRP 211 Ca 0.00 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.03 1gia h TRP 211 Cb 0.51 -0.40 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1gia h TRP 211 CO 0.00 0.67 0.21 -0.84 -3.56 0.00 0.00 178.44 174.92 1gia h ILE 212 N 1.23 0.38 0.00 1.49 -0.00 -1.79 -0.87 117.51 117.95 1gia h ILE 212 Ca 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 65.24 1gia h ILE 212 Cb 0.08 0.83 -0.00 0.00 -0.00 0.00 0.00 36.82 37.72 1gia h ILE 212 CO -0.15 0.00 -0.15 0.45 -0.00 0.00 0.00 178.15 178.31 1gia h HIS 213 N 0.00 0.00 -0.35 0.16 3.86 -1.75 -2.92 115.15 114.15 1gia h HIS 213 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1gia h HIS 213 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1gia h HIS 213 CO 0.00 0.15 0.00 0.00 0.86 0.00 0.00 177.93 178.94 1gia n PHE 215 N 1.50 0.00 -3.17 0.00 3.01 -1.10 -4.78 117.46 112.91 1gia n PHE 215 Ca 0.19 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.26 1gia n PHE 215 Cb 0.61 -0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 39.79 1gia n PHE 215 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1gia s GLU 216 N -2.46 4.34 -1.21 -1.08 2.56 -1.26 -4.38 118.70 115.20 1gia s GLU 216 Ca 0.12 0.85 -0.03 0.00 0.00 0.00 0.00 54.97 55.91 1gia s GLU 216 Cb 0.08 -3.29 0.02 0.00 2.00 0.00 0.00 34.13 32.93 1gia s GLU 216 CO 0.16 0.49 0.17 0.41 -0.56 0.00 0.00 175.26 175.93 1gia n GLY 217 N 2.04 -0.50 3.68 -1.50 0.00 -1.26 -4.93 105.19 102.72 1gia n GLY 217 Ca -0.07 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1gia n GLY 217 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gia s VAL 218 N -2.77 4.15 -0.04 1.61 1.01 -1.26 -4.65 120.40 118.43 1gia s VAL 218 Ca 0.12 1.47 -0.23 0.00 0.00 0.00 0.00 61.98 63.34 1gia s VAL 218 Cb -0.06 -3.95 -0.26 0.00 0.00 0.00 0.00 36.38 32.12 1gia s VAL 218 CO 0.15 -0.03 0.99 0.74 0.00 0.00 0.00 175.10 176.95 1gia h THR 219 N 5.10 1.53 -2.68 3.92 2.02 -1.05 -3.44 112.91 118.30 1gia h THR 219 Ca -0.33 -2.16 -0.10 0.00 0.77 0.00 0.00 66.41 64.58 1gia h THR 219 Cb 1.15 2.88 -0.21 0.00 -1.74 0.00 0.00 68.15 70.24 1gia h THR 219 CO 0.90 0.60 -0.14 0.00 0.37 0.00 0.00 175.52 177.26 1gia s ALA 220 N -2.90 -1.11 -0.12 6.16 0.00 -1.01 -2.78 121.76 120.00 1gia s ALA 220 Ca -0.15 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 1gia s ALA 220 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1gia s ALA 220 CO 0.78 -0.28 -0.05 0.42 0.00 0.00 0.00 175.76 176.63 1gia s ILE 221 N -0.94 3.81 -0.42 0.00 1.01 -0.21 -1.93 121.20 122.53 1gia s ILE 221 Ca -0.10 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1gia s ILE 221 Cb -0.03 -2.63 0.10 0.00 0.01 0.00 0.00 42.46 39.90 1gia s ILE 221 CO 0.05 0.53 0.24 -0.63 0.00 0.00 0.00 174.94 175.13 1gia s ILE 222 N -0.07 3.79 -0.31 2.92 1.01 -0.29 -0.44 121.20 127.82 1gia s ILE 222 Ca 0.01 -1.72 -0.20 0.00 0.00 0.00 0.00 60.65 58.75 1gia s ILE 222 Cb -0.13 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1gia s ILE 222 CO 0.03 -0.60 0.59 0.12 0.00 0.00 0.00 174.94 175.08 1gia s PHE 223 N 1.30 3.21 -0.08 3.97 2.19 0.80 -1.86 117.98 127.50 1gia s PHE 223 Ca 0.05 0.50 -0.14 0.00 0.33 0.00 0.00 56.93 57.67 1gia s PHE 223 Cb -0.23 -2.95 -0.05 0.00 -1.31 0.00 0.00 43.02 38.47 1gia s PHE 223 CO -0.01 -0.47 0.34 0.00 1.83 0.00 0.00 175.22 176.91 1gia s VAL 225 N -0.34 0.87 -0.47 0.00 1.01 -0.37 -4.32 120.40 116.77 1gia s VAL 225 Ca 0.20 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 1gia s VAL 225 Cb -0.15 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.48 1gia s VAL 225 CO 0.09 0.28 0.71 0.00 0.00 0.00 0.00 175.10 176.18 1gia s ALA 226 N 0.39 3.32 0.36 5.51 0.00 -1.26 0.52 121.76 130.60 1gia s ALA 226 Ca -0.07 -1.30 0.09 0.00 0.00 0.00 0.00 51.96 50.68 1gia s ALA 226 Cb -0.11 -3.41 0.82 0.00 0.00 0.00 0.00 23.12 20.42 1gia s ALA 226 CO 0.01 -1.96 1.89 -0.07 0.00 0.00 0.00 175.76 175.63 1gia h LEU 227 N 9.98 0.63 0.00 0.00 3.38 -1.17 -1.87 115.31 126.26 1gia h LEU 227 Ca -0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1gia h LEU 227 Cb 1.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1gia h LEU 227 CO 0.95 0.34 0.00 -1.54 0.09 0.00 0.00 178.44 178.28 1gia n SER 228 N -4.54 0.00 0.05 -0.43 3.41 -1.26 -3.43 113.62 107.42 1gia n SER 228 Ca 0.16 -0.57 0.11 0.00 -0.26 0.00 0.00 58.87 58.32 1gia n SER 228 Cb 0.43 -0.07 0.47 0.00 -0.26 0.00 0.00 64.21 64.78 1gia n SER 228 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gia n ASP 229 N -1.07 0.30 -0.01 4.04 9.92 -0.70 -4.25 116.55 124.77 1gia n ASP 229 Ca 0.16 0.55 0.23 0.00 -0.53 0.00 0.00 54.79 55.20 1gia n ASP 229 Cb 0.10 -0.62 0.71 0.00 -0.64 0.00 0.00 41.12 40.67 1gia n ASP 229 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1gia h TYR 230 N 0.00 0.00 -0.12 1.24 -0.00 -1.77 -1.87 116.97 114.45 1gia h TYR 230 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1gia h TYR 230 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.19 1gia h TYR 230 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 177.76 1gia n ASP 231 N -3.78 2.72 -4.77 0.10 5.75 -1.26 -4.15 116.55 111.17 1gia n ASP 231 Ca 0.12 -2.64 -0.22 0.00 -0.01 0.00 0.00 54.79 52.04 1gia n ASP 231 Cb 0.82 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.53 1gia n ASP 231 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1gia s LEU 232 N -2.11 3.51 0.28 -2.12 1.43 -0.70 -4.92 118.68 114.04 1gia s LEU 232 Ca 0.25 -0.49 0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1gia s LEU 232 Cb 0.20 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1gia s LEU 232 CO 0.06 -0.13 -0.08 0.68 0.23 0.00 0.00 176.35 177.10 1gia s VAL 233 N -2.27 2.96 0.34 -1.59 -7.23 -1.26 -1.53 120.40 109.81 1gia s VAL 233 Ca 0.35 -2.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.10 1gia s VAL 233 Cb -0.06 -2.61 -0.10 0.00 0.56 0.00 0.00 36.38 34.16 1gia s VAL 233 CO 0.23 -0.37 1.37 -0.76 -0.31 0.00 0.00 175.10 175.27 1gia s LEU 234 N -3.61 4.39 0.34 1.32 1.43 0.09 -4.71 118.68 117.93 1gia s LEU 234 Ca 0.31 2.79 0.04 0.00 -1.03 0.00 0.00 54.13 56.23 1gia s LEU 234 Cb -0.05 -3.65 0.61 0.00 0.03 0.00 0.00 46.19 43.13 1gia s LEU 234 CO 0.18 -0.64 1.91 0.00 0.23 0.00 0.00 176.35 178.02 1gia h ALA 235 N 3.44 1.41 0.00 4.21 0.00 -1.99 -1.54 119.26 124.79 1gia h ALA 235 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1gia h ALA 235 Cb 1.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1gia h ALA 235 CO 0.66 0.43 0.00 0.93 0.00 0.00 0.00 179.25 181.27 1gia h GLU 236 N 0.60 0.00 -1.27 0.00 3.07 -1.98 -3.42 114.58 111.57 1gia h GLU 236 Ca 0.14 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.14 1gia h GLU 236 Cb 0.22 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 27.91 1gia h GLU 236 CO -0.00 0.00 0.03 0.34 -1.40 0.00 0.00 179.01 177.98 1gia s ASP 237 N -4.87 -0.87 0.00 1.42 2.15 -0.58 -5.03 116.67 108.89 1gia s ASP 237 Ca 0.06 1.02 0.18 0.00 0.43 0.00 0.00 52.55 54.24 1gia s ASP 237 Cb 0.10 1.92 1.09 0.00 -0.30 0.00 0.00 42.92 45.73 1gia s ASP 237 CO 0.52 -0.16 1.70 -0.62 -0.17 0.00 0.00 175.17 176.44 1gia n GLU 238 N 5.24 1.01 -0.00 4.34 1.02 -1.20 -2.36 120.64 128.69 1gia n GLU 238 Ca -0.09 -0.01 0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1gia n GLU 238 Cb 0.51 -1.29 -0.13 0.00 -0.02 0.00 0.00 31.44 30.52 1gia n GLU 238 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1gia n GLU 239 N -0.77 0.58 -3.75 3.49 -0.58 -1.26 -4.85 120.64 113.49 1gia n GLU 239 Ca 0.14 -0.07 -0.37 0.00 -0.42 0.00 0.00 57.16 56.44 1gia n GLU 239 Cb 0.07 -1.44 -0.12 0.00 -0.57 0.00 0.00 31.44 29.38 1gia n GLU 239 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1gia s MET 240 N -3.05 3.78 0.18 3.49 1.75 -1.17 -5.04 119.30 119.25 1gia s MET 240 Ca 0.02 -0.42 -0.31 0.00 -1.25 0.00 0.00 55.69 53.73 1gia s MET 240 Cb 0.14 -3.39 -0.09 0.00 2.84 0.00 0.00 34.83 34.32 1gia s MET 240 CO 0.81 -0.11 1.44 1.21 -0.65 0.00 0.00 175.02 177.72 1gia s ASN 241 N 1.45 6.72 0.37 1.11 3.84 -1.26 -0.73 114.94 126.44 1gia s ASN 241 Ca 0.06 2.52 0.05 0.00 0.21 0.00 0.00 52.86 55.69 1gia s ASN 241 Cb -0.15 -2.60 0.73 0.00 -0.55 0.00 0.00 41.25 38.68 1gia s ASN 241 CO 0.05 -0.69 2.01 0.03 -2.79 0.00 0.00 177.10 175.71 1gia h ARG 242 N 6.04 0.72 -0.04 0.43 3.08 -1.45 -2.68 114.38 120.48 1gia h ARG 242 Ca -0.44 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.36 1gia h ARG 242 Cb 1.21 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 1gia h ARG 242 CO 0.84 0.48 -0.84 1.98 -1.07 0.00 0.00 179.97 181.36 1gia h MET 243 N 0.75 0.43 -0.36 0.04 4.05 -1.82 -2.69 114.93 115.33 1gia h MET 243 Ca 0.23 -0.40 -0.09 0.00 -0.28 0.00 0.00 59.70 59.16 1gia h MET 243 Cb 0.01 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1gia h MET 243 CO -0.06 1.05 -0.14 0.45 0.23 0.00 0.00 176.91 178.45 1gia h HIS 244 N 0.27 0.70 -0.51 1.39 3.86 -1.88 -1.65 115.15 117.33 1gia h HIS 244 Ca -0.06 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1gia h HIS 244 Cb 1.45 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.71 1gia h HIS 244 CO 0.05 0.75 0.21 1.49 0.86 0.00 0.00 177.93 181.30 1gia h GLU 245 N 0.58 0.76 -0.49 2.45 4.57 -1.44 -2.26 114.58 118.74 1gia h GLU 245 Ca 0.10 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1gia h GLU 245 Cb 0.58 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 1gia h GLU 245 CO 0.04 0.66 0.30 0.77 -1.18 0.00 0.00 179.01 179.60 1gia h SER 246 N 0.68 0.48 -0.56 1.04 0.02 -1.12 -2.09 113.55 112.01 1gia h SER 246 Ca 0.17 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1gia h SER 246 Cb 0.18 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1gia h SER 246 CO -0.02 0.34 0.32 0.24 -1.14 0.00 0.00 176.83 176.58 1gia h MET 247 N 0.59 0.61 -0.54 3.45 2.86 -1.06 -0.91 114.93 119.94 1gia h MET 247 Ca 0.20 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1gia h MET 247 Cb 0.01 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 1gia h MET 247 CO -0.08 0.40 0.32 0.87 1.06 0.00 0.00 176.91 179.48 1gia h LYS 248 N 0.63 0.62 -0.41 1.72 1.57 -1.08 -0.93 116.57 118.67 1gia h LYS 248 Ca 0.23 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1gia h LYS 248 Cb 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1gia h LYS 248 CO -0.12 0.41 0.19 -0.07 -0.57 0.00 0.00 179.45 179.29 1gia h LEU 249 N 0.63 0.55 -0.34 2.94 3.38 -1.05 -1.76 115.31 119.66 1gia h LEU 249 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1gia h LEU 249 Cb 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1gia h LEU 249 CO -0.10 0.54 0.16 0.15 0.09 0.00 0.00 178.44 179.28 1gia h PHE 250 N 0.53 0.49 -0.45 1.13 3.57 -0.82 -0.59 116.94 120.80 1gia h PHE 250 Ca 0.14 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1gia h PHE 250 Cb 0.14 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1gia h PHE 250 CO -0.01 0.43 0.17 0.22 -2.23 0.00 0.00 178.31 176.89 1gia h ASP 251 N 0.41 0.19 -0.30 0.41 3.58 -1.09 0.44 116.42 120.06 1gia h ASP 251 Ca 0.12 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.65 1gia h ASP 251 Cb 0.12 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1gia h ASP 251 CO -0.01 0.14 0.09 -1.28 -2.88 0.00 0.00 179.24 175.31 1gia h SER 252 N 0.35 0.09 -0.00 2.28 0.87 -0.98 -2.66 113.55 113.50 1gia h SER 252 Ca 0.21 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1gia h SER 252 Cb 0.19 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1gia h SER 252 CO -0.20 0.09 -0.03 0.40 -0.53 0.00 0.00 176.83 176.56 1gia h ILE 253 N 0.22 1.60 -0.96 2.23 1.08 -0.74 -3.22 117.51 117.72 1gia h ILE 253 Ca 0.14 -1.79 0.12 0.00 -0.39 0.00 0.00 64.86 62.94 1gia h ILE 253 Cb 0.11 2.80 -0.08 0.00 -3.07 0.00 0.00 36.82 36.59 1gia h ILE 253 CO -0.15 0.47 0.61 0.00 -0.69 0.00 0.00 178.15 178.39 1gia n ASN 255 N -4.59 3.72 -4.67 0.00 3.02 -1.00 -4.94 115.26 106.79 1gia n ASN 255 Ca 0.18 -2.10 -0.43 0.00 -0.03 0.00 0.00 54.58 52.21 1gia n ASN 255 Cb 0.37 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 1gia n ASN 255 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1gia s ASN 256 N -0.96 6.90 0.34 6.41 3.84 -0.97 -4.89 114.94 125.61 1gia s ASN 256 Ca 0.44 1.84 0.13 0.00 0.21 0.00 0.00 52.86 55.48 1gia s ASN 256 Cb 0.25 -2.54 0.99 0.00 -0.55 0.00 0.00 41.25 39.39 1gia s ASN 256 CO 0.28 -0.76 1.71 0.11 -2.79 0.00 0.00 177.10 175.65 1gia h LYS 257 N 8.29 0.45 -0.42 0.43 1.57 -1.92 0.32 116.57 125.30 1gia h LYS 257 Ca -0.31 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1gia h LYS 257 Cb 1.13 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1gia h LYS 257 CO 0.95 0.30 0.29 2.35 -0.57 0.00 0.00 179.45 182.77 1gia h TRP 258 N 0.47 0.08 -0.53 -1.35 2.91 -1.96 -2.34 115.95 113.23 1gia h TRP 258 Ca 0.67 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.69 1gia h TRP 258 Cb 1.44 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 30.06 1gia h TRP 258 CO -0.01 0.04 0.00 1.19 -1.03 0.00 0.00 178.44 178.63 1gia n PHE 259 N -4.43 1.69 -0.26 2.65 3.72 0.11 -4.61 117.46 116.33 1gia n PHE 259 Ca 0.07 -0.61 0.07 0.00 -0.05 0.00 0.00 57.45 56.93 1gia n PHE 259 Cb 0.44 -0.40 0.21 0.00 -0.94 0.00 0.00 39.48 38.79 1gia n PHE 259 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1gia h THR 260 N 3.55 0.53 -0.52 4.37 2.02 -1.49 -0.79 112.91 120.58 1gia h THR 260 Ca 0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1gia h THR 260 Cb 1.67 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1gia h THR 260 CO 0.37 0.06 0.01 0.47 0.37 0.00 0.00 175.52 176.80 1gia n ASP 261 N -5.10 5.33 -4.69 4.18 8.00 -1.26 -4.90 116.55 118.10 1gia n ASP 261 Ca 0.16 -2.97 -0.35 0.00 0.71 0.00 0.00 54.79 52.33 1gia n ASP 261 Cb 0.49 -0.66 -0.09 0.00 -0.02 0.00 0.00 41.12 40.84 1gia n ASP 261 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1gia s THR 262 N -2.80 4.81 0.22 -3.53 2.01 -0.30 -5.01 115.64 111.03 1gia s THR 262 Ca 0.52 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 1gia s THR 262 Cb 0.40 -3.12 -0.09 0.00 0.01 0.00 0.00 72.50 69.71 1gia s THR 262 CO 0.14 0.52 1.18 -0.44 -0.69 0.00 0.00 174.62 175.34 1gia s SER 263 N -0.18 7.11 -0.25 3.53 0.01 -1.12 -4.90 113.70 117.90 1gia s SER 263 Ca 0.07 2.28 -0.06 0.00 1.31 0.00 0.00 55.95 59.55 1gia s SER 263 Cb -0.12 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 1gia s SER 263 CO 0.01 -0.32 0.04 -0.63 0.41 0.00 0.00 173.24 172.75 1gia s ILE 264 N -0.44 3.99 -0.18 1.44 -1.09 -1.26 -1.04 121.20 122.61 1gia s ILE 264 Ca 0.50 -0.37 -0.04 0.00 -2.23 0.00 0.00 60.65 58.51 1gia s ILE 264 Cb -0.33 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.63 1gia s ILE 264 CO 0.39 0.30 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.75 1gia s ILE 265 N 1.55 3.80 -0.25 2.92 1.09 0.42 -1.69 121.20 129.04 1gia s ILE 265 Ca 0.05 -0.37 -0.08 0.00 -1.10 0.00 0.00 60.65 59.15 1gia s ILE 265 Cb -0.15 -2.70 -0.03 0.00 -1.06 0.00 0.00 42.46 38.52 1gia s ILE 265 CO 0.02 0.45 0.10 -0.22 -0.10 0.00 0.00 174.94 175.18 1gia s LEU 266 N 0.83 3.57 -0.37 2.97 2.96 0.13 -0.14 118.68 128.63 1gia s LEU 266 Ca -0.00 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 1gia s LEU 266 Cb -0.14 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.61 1gia s LEU 266 CO 0.02 -0.03 0.19 -0.36 -1.32 0.00 0.00 176.35 174.84 1gia s PHE 267 N 1.62 3.24 -0.77 5.38 0.40 -0.22 -0.28 117.98 127.35 1gia s PHE 267 Ca 0.06 -1.00 -0.18 0.00 -0.60 0.00 0.00 56.93 55.21 1gia s PHE 267 Cb -0.15 -2.41 0.13 0.00 0.51 0.00 0.00 43.02 41.09 1gia s PHE 267 CO 0.05 -0.65 0.91 -0.51 0.70 0.00 0.00 175.22 175.72 1gia s LEU 268 N 1.54 5.37 0.71 -0.37 1.43 0.87 -1.24 118.68 126.99 1gia s LEU 268 Ca 0.02 -1.83 -0.07 0.00 -1.03 0.00 0.00 54.13 51.22 1gia s LEU 268 Cb -0.19 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 43.76 1gia s LEU 268 CO 0.06 -1.05 1.02 0.21 0.23 0.00 0.00 176.35 176.83 1gia s ASN 269 N 3.39 4.75 -1.36 2.29 2.47 0.19 -0.99 114.94 125.67 1gia s ASN 269 Ca 0.22 0.42 -0.08 0.00 0.42 0.00 0.00 52.86 53.84 1gia s ASN 269 Cb -0.13 -1.04 0.01 0.00 -1.45 0.00 0.00 41.25 38.64 1gia s ASN 269 CO -0.02 -1.64 1.04 0.29 -3.72 0.00 0.00 177.10 173.05 1gia n LYS 270 N -2.94 -7.18 0.28 0.43 5.02 -0.93 -0.68 118.16 112.16 1gia n LYS 270 Ca 0.08 0.82 0.14 0.00 -2.02 0.00 0.00 58.31 57.34 1gia n LYS 270 Cb 0.60 -5.77 0.83 0.00 -0.02 0.00 0.00 35.03 30.67 1gia n LYS 270 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1gia h LYS 271 N -2.39 0.00 -0.31 1.97 2.10 -1.65 -1.42 116.57 114.87 1gia h LYS 271 Ca -0.55 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 57.97 1gia h LYS 271 Cb 1.36 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1gia h LYS 271 CO 0.54 0.07 -0.33 0.38 -2.00 0.00 0.00 179.45 178.11 1gia h ASP 272 N 0.00 0.83 0.05 7.07 2.03 -1.90 -1.43 116.42 123.06 1gia h ASP 272 Ca -0.00 -0.48 -0.22 0.00 -0.73 0.00 0.00 57.03 55.60 1gia h ASP 272 Cb 0.21 -0.23 0.01 0.00 -0.83 0.00 0.00 39.33 38.48 1gia h ASP 272 CO 0.01 1.14 -0.82 -0.07 -1.03 0.00 0.00 179.24 178.47 1gia h LEU 273 N 0.54 0.76 -0.80 0.15 3.38 -1.75 -3.12 115.31 114.46 1gia h LEU 273 Ca 0.05 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1gia h LEU 273 Cb 0.91 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1gia h LEU 273 CO 0.08 1.30 0.40 0.15 0.09 0.00 0.00 178.44 180.47 1gia h PHE 274 N 0.41 1.13 -0.99 1.13 3.57 -1.27 -0.99 116.94 119.93 1gia h PHE 274 Ca -0.06 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.44 1gia h PHE 274 Cb 1.43 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.76 1gia h PHE 274 CO 0.07 0.81 0.65 1.49 -2.23 0.00 0.00 178.31 179.10 1gia h GLU 275 N 1.12 1.19 0.00 1.11 4.81 -1.21 -0.65 114.58 120.94 1gia h GLU 275 Ca 0.28 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 1gia h GLU 275 Cb 0.09 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1gia h GLU 275 CO -0.04 0.78 -0.96 1.05 -0.73 0.00 0.00 179.01 179.11 1gia h GLU 276 N 1.22 0.00 0.04 1.92 4.11 -1.41 -3.36 114.58 117.10 1gia h GLU 276 Ca 0.41 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.60 1gia h GLU 276 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1gia h GLU 276 CO -0.14 0.82 -1.01 -0.22 0.07 0.00 0.00 179.01 178.52 1gia h LYS 277 N 0.00 0.31 -0.02 1.06 3.64 -0.67 -3.29 116.57 117.60 1gia h LYS 277 Ca -0.04 -0.39 0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1gia h LYS 277 Cb 1.70 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1gia h LYS 277 CO 0.11 1.10 0.02 0.97 -2.27 0.00 0.00 179.45 179.38 1gia h ILE 278 N 0.15 0.78 0.00 2.00 6.09 -1.28 0.12 117.51 125.38 1gia h ILE 278 Ca -0.08 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.35 1gia h ILE 278 Cb 1.67 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 39.94 1gia h ILE 278 CO 0.17 0.00 -0.28 0.11 -3.07 0.00 0.00 178.15 175.08 1gia h LYS 279 N 0.00 0.00 0.00 2.19 1.57 -1.75 -3.33 116.57 115.25 1gia h LYS 279 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1gia h LYS 279 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1gia h LYS 279 CO -0.00 0.28 0.00 0.36 -0.57 0.00 0.00 179.45 179.52 1gia n LYS 280 N -3.50 -0.05 -3.74 3.15 2.85 -0.72 -4.99 118.16 111.16 1gia n LYS 280 Ca -0.00 -0.32 -0.26 0.00 -1.05 0.00 0.00 58.31 56.68 1gia n LYS 280 Cb 0.44 -0.80 -0.17 0.00 -0.65 0.00 0.00 35.03 33.85 1gia n LYS 280 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1gia s SER 281 N -0.08 2.48 0.32 -5.58 0.15 -0.05 -5.12 113.70 105.81 1gia s SER 281 Ca 0.00 -0.58 -0.29 0.00 0.70 0.00 0.00 55.95 55.77 1gia s SER 281 Cb 0.00 -0.54 -0.11 0.00 -1.71 0.00 0.00 66.02 63.66 1gia s SER 281 CO 0.00 -0.27 1.56 -0.81 1.20 0.00 0.00 173.24 174.91 1gia n PRO 282 N 5.09 2.68 0.26 5.44 -0.04 -1.26 -4.52 135.00 142.65 1gia n PRO 282 Ca -0.08 0.95 0.16 0.00 -0.04 0.00 0.00 63.50 64.48 1gia n PRO 282 Cb 0.48 -2.71 0.55 0.00 -0.04 0.00 0.00 33.50 31.78 1gia n PRO 282 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1gia h LEU 283 N 4.13 0.00 -1.76 1.53 5.85 -1.93 -2.94 115.31 120.20 1gia h LEU 283 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1gia h LEU 283 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1gia h LEU 283 CO 0.74 0.02 0.00 0.71 -0.34 0.00 0.00 178.44 179.57 1gia h THR 284 N 0.00 0.00 -0.38 1.05 1.35 -1.90 0.13 112.91 113.16 1gia h THR 284 Ca -0.00 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1gia h THR 284 Cb 0.64 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 1gia h THR 284 CO 0.00 0.00 0.16 0.40 -0.25 0.00 0.00 175.52 175.83 1gia h ILE 285 N 0.00 1.14 0.00 6.82 2.04 -1.86 -2.87 117.51 122.78 1gia h ILE 285 Ca 0.00 -0.42 -0.43 0.00 1.00 0.00 0.00 64.86 65.01 1gia h ILE 285 Cb 0.08 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 1gia h ILE 285 CO 0.00 0.17 -2.51 0.00 0.00 0.00 0.00 178.15 175.80 1gia s TYR 287 N -2.51 2.76 0.53 0.00 2.02 -0.22 -4.98 117.35 114.95 1gia s TYR 287 Ca -0.37 -2.91 0.27 0.00 -0.37 0.00 0.00 57.07 53.69 1gia s TYR 287 Cb 0.12 -2.49 1.42 0.00 -0.40 0.00 0.00 41.96 40.62 1gia s TYR 287 CO 0.54 -0.75 1.97 -1.35 -1.57 0.00 0.00 175.55 174.39 1gia h PRO 288 N 6.56 0.00 0.00 -1.71 0.11 -1.75 -0.43 132.00 134.77 1gia h PRO 288 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1gia h PRO 288 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1gia h PRO 288 CO 0.62 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.50 1gia n GLU 289 N -4.35 0.12 -1.68 1.05 2.13 -1.26 -4.86 120.64 111.79 1gia n GLU 289 Ca 0.12 0.02 -0.45 0.00 0.66 0.00 0.00 57.16 57.51 1gia n GLU 289 Cb 0.71 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.88 1gia n GLU 289 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1gia n TYR 290 N -1.44 2.43 -0.02 4.31 9.36 -0.17 -4.85 117.16 126.78 1gia n TYR 290 Ca 0.09 -0.07 0.03 0.00 3.32 0.00 0.00 57.90 61.27 1gia n TYR 290 Cb 0.30 -2.69 0.07 0.00 -0.63 0.00 0.00 39.34 36.38 1gia n TYR 290 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1gia n ALA 291 N 6.02 2.17 -2.14 2.98 0.00 -1.26 -4.88 120.51 123.40 1gia n ALA 291 Ca 0.20 -0.96 -0.20 0.00 0.00 0.00 0.00 53.44 52.48 1gia n ALA 291 Cb 0.33 -0.21 0.15 0.00 0.00 0.00 0.00 19.45 19.72 1gia n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gia n GLY 292 N 0.07 -0.56 3.93 0.00 0.00 -1.26 -5.09 105.19 102.28 1gia n GLY 292 Ca 0.05 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 1gia n GLY 292 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gia s SER 293 N -5.02 4.68 -0.67 1.61 1.04 -1.26 -4.96 113.70 109.13 1gia s SER 293 Ca 0.63 0.48 -0.05 0.00 0.48 0.00 0.00 55.95 57.49 1gia s SER 293 Cb -0.02 -1.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.00 1gia s SER 293 CO 0.44 -1.70 2.93 -0.46 0.98 0.00 0.00 173.24 175.43 1gia n ASN 294 N -3.02 6.78 -4.54 7.02 6.94 -1.26 -4.46 115.26 122.72 1gia n ASN 294 Ca 0.08 -2.93 -0.27 0.00 -0.02 0.00 0.00 54.58 51.44 1gia n ASN 294 Cb 0.61 -1.35 -0.10 0.00 -2.36 0.00 0.00 39.78 36.58 1gia n ASN 294 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1gia s THR 295 N -0.65 3.04 0.10 5.53 -4.23 -1.26 -4.43 115.64 113.74 1gia s THR 295 Ca 0.61 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 59.19 1gia s THR 295 Cb 0.30 -2.48 -0.12 0.00 1.34 0.00 0.00 72.50 71.55 1gia s THR 295 CO -0.12 -0.06 1.65 0.22 -0.54 0.00 0.00 174.62 175.77 1gia h TYR 296 N 3.13 -0.62 -0.78 3.99 3.20 -1.90 -1.81 116.97 122.17 1gia h TYR 296 Ca -0.47 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.43 1gia h TYR 296 Cb 1.20 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.66 1gia h TYR 296 CO 0.64 -0.35 0.50 0.93 -1.64 0.00 0.00 178.16 178.24 1gia h GLU 297 N -0.50 0.94 -0.07 1.82 3.07 -1.97 0.91 114.58 118.77 1gia h GLU 297 Ca -0.00 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 1gia h GLU 297 Cb 0.47 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1gia h GLU 297 CO -0.06 0.62 -0.24 0.93 -1.40 0.00 0.00 179.01 178.87 1gia h GLU 298 N 0.96 0.29 -0.56 2.33 5.08 -1.89 -2.77 114.58 118.02 1gia h GLU 298 Ca 0.31 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1gia h GLU 298 Cb 0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1gia h GLU 298 CO -0.11 0.84 0.20 0.00 -1.00 0.00 0.00 179.01 178.94 1gia h ALA 299 N 0.45 0.74 -0.44 3.43 0.00 -1.22 -2.46 119.26 119.76 1gia h ALA 299 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1gia h ALA 299 Cb 0.86 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1gia h ALA 299 CO 0.05 0.37 0.19 0.00 0.00 0.00 0.00 179.25 179.86 1gia h ALA 300 N 1.06 0.58 -0.56 0.00 0.00 -0.92 -2.53 119.26 116.89 1gia h ALA 300 Ca 0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1gia h ALA 300 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1gia h ALA 300 CO -0.01 0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.56 1gia h ALA 301 N 1.03 1.22 -0.46 0.00 0.00 -1.42 -1.74 119.26 117.89 1gia h ALA 301 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1gia h ALA 301 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1gia h ALA 301 CO -0.01 0.54 0.21 -0.92 0.00 0.00 0.00 179.25 179.07 1gia h TYR 302 N 0.82 0.68 -0.57 0.00 3.20 -1.25 -2.05 116.97 117.79 1gia h TYR 302 Ca 0.18 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1gia h TYR 302 Cb 0.28 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1gia h TYR 302 CO 0.02 0.56 0.13 0.82 -1.64 0.00 0.00 178.16 178.04 1gia h ILE 303 N 0.60 1.25 -0.50 1.81 2.04 -1.22 -1.29 117.51 120.20 1gia h ILE 303 Ca 0.16 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.15 1gia h ILE 303 Cb 0.14 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1gia h ILE 303 CO -0.02 0.34 0.24 -0.61 0.00 0.00 0.00 178.15 178.10 1gia h GLN 304 N 0.83 0.46 -0.14 2.37 4.15 -1.13 -1.67 115.11 119.97 1gia h GLN 304 Ca 0.18 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.48 1gia h GLN 304 Cb 0.37 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1gia h GLN 304 CO 0.00 0.30 -0.30 0.00 -1.93 0.00 0.00 178.83 176.90 1gia h GLN 306 N 0.25 1.11 0.08 0.00 1.08 -0.36 0.10 115.11 117.36 1gia h GLN 306 Ca 0.03 -0.19 -0.17 0.00 -1.45 0.00 0.00 58.65 56.87 1gia h GLN 306 Cb 0.66 -0.19 0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1gia h GLN 306 CO 0.05 0.89 -0.72 0.74 -0.95 0.00 0.00 178.83 178.85 1gia h PHE 307 N 1.08 0.57 0.00 2.96 -1.00 -0.98 -3.32 116.94 116.25 1gia h PHE 307 Ca 0.25 -0.37 -0.02 0.00 2.81 0.00 0.00 57.97 60.64 1gia h PHE 307 Cb 0.19 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.71 1gia h PHE 307 CO 0.02 1.24 -0.11 0.93 -1.61 0.00 0.00 178.31 178.77 1gia h GLU 308 N -0.27 0.00 0.00 1.51 5.08 -0.75 -1.88 114.58 118.28 1gia h GLU 308 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1gia h GLU 308 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1gia h GLU 308 CO 0.14 0.11 0.00 0.22 -1.00 0.00 0.00 179.01 178.48 1gia h ASP 309 N 0.00 0.00 1.34 1.42 3.58 -1.07 -2.72 116.42 118.97 1gia h ASP 309 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1gia h ASP 309 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1gia h ASP 309 CO 0.01 0.00 0.00 -0.07 -2.88 0.00 0.00 179.24 176.30 1gia h LEU 310 N 0.00 0.00 -9.25 2.28 3.38 -1.46 -3.43 115.31 106.83 1gia h LEU 310 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1gia h LEU 310 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1gia h LEU 310 CO 0.00 0.00 1.11 0.21 0.09 0.00 0.00 178.44 179.85 1gia s ASN 311 N -5.84 6.60 0.09 -0.43 2.47 -1.03 -4.88 114.94 111.92 1gia s ASN 311 Ca 0.03 2.22 0.24 0.00 0.42 0.00 0.00 52.86 55.78 1gia s ASN 311 Cb 0.08 -2.53 0.41 0.00 -1.45 0.00 0.00 41.25 37.75 1gia s ASN 311 CO 0.58 -0.98 1.36 0.29 -3.72 0.00 0.00 177.10 174.63 1gia n LYS 312 N 7.24 0.23 -1.58 0.43 5.02 -1.26 -4.06 118.16 124.18 1gia n LYS 312 Ca 0.18 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 56.23 1gia n LYS 312 Cb 0.43 -1.65 0.06 0.00 -0.02 0.00 0.00 35.03 33.85 1gia n LYS 312 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gia n ARG 313 N -1.98 3.02 -0.59 1.97 1.74 -1.26 -4.84 116.66 114.72 1gia n ARG 313 Ca 0.04 -3.60 0.47 0.00 -0.77 0.00 0.00 57.85 53.99 1gia n ARG 313 Cb 0.42 -2.29 0.79 0.00 -1.02 0.00 0.00 32.46 30.36 1gia n ARG 313 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1gia h LYS 314 N 2.07 0.01 0.00 5.56 1.57 -1.78 0.59 116.57 124.59 1gia h LYS 314 Ca 0.52 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.08 1gia h LYS 314 Cb 1.07 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 1gia h LYS 314 CO 1.30 0.01 -1.39 -0.44 -0.57 0.00 0.00 179.45 178.36 1gia h ASP 315 N 0.01 0.00 -0.06 0.86 3.32 -1.96 -3.38 116.42 115.22 1gia h ASP 315 Ca 0.85 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.90 1gia h ASP 315 Cb 3.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.84 1gia h ASP 315 CO -0.07 0.82 0.00 0.35 -1.72 0.00 0.00 179.24 178.62 1gia n THR 316 N -3.06 0.14 -3.68 0.35 -2.24 0.72 -4.95 114.28 101.57 1gia n THR 316 Ca -0.10 -0.57 -0.19 0.00 -2.27 0.00 0.00 64.05 60.92 1gia n THR 316 Cb 0.94 1.12 -0.18 0.00 -2.10 0.00 0.00 70.33 70.11 1gia n THR 316 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1gia s LYS 317 N -0.91 -0.06 0.18 -0.78 2.20 0.17 -5.07 119.74 115.48 1gia s LYS 317 Ca 0.14 0.40 -0.06 0.00 -0.36 0.00 0.00 55.97 56.08 1gia s LYS 317 Cb 0.09 -0.46 -0.06 0.00 -1.51 0.00 0.00 37.83 35.89 1gia s LYS 317 CO 0.14 -0.32 0.45 -1.21 -0.36 0.00 0.00 175.35 174.05 1gia s GLU 318 N 2.12 3.68 -0.09 4.03 0.41 -1.26 -4.44 118.70 123.15 1gia s GLU 318 Ca 0.04 0.04 0.03 0.00 -0.41 0.00 0.00 54.97 54.66 1gia s GLU 318 Cb -0.12 -2.76 0.01 0.00 -1.78 0.00 0.00 34.13 29.47 1gia s GLU 318 CO -0.03 0.40 -0.16 0.42 -0.49 0.00 0.00 175.26 175.39 1gia s ILE 319 N -1.75 1.49 -0.41 -1.63 1.01 -1.26 -4.40 121.20 114.26 1gia s ILE 319 Ca 0.43 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 60.26 1gia s ILE 319 Cb -0.12 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1gia s ILE 319 CO 0.24 0.44 0.30 -0.31 0.00 0.00 0.00 174.94 175.60 1gia s TYR 320 N 0.65 3.24 -0.15 3.97 2.02 -0.68 -4.96 117.35 121.43 1gia s TYR 320 Ca -0.14 -0.66 -0.08 0.00 -0.37 0.00 0.00 57.07 55.83 1gia s TYR 320 Cb -0.16 -2.61 -0.04 0.00 -0.40 0.00 0.00 41.96 38.74 1gia s TYR 320 CO 0.04 -0.61 0.12 0.99 -1.57 0.00 0.00 175.55 174.51 1gia s THR 321 N 1.66 5.28 0.01 -0.71 2.01 -1.26 0.18 115.64 122.82 1gia s THR 321 Ca 0.05 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1gia s THR 321 Cb -0.19 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1gia s THR 321 CO 0.09 0.54 -0.04 -1.00 -0.69 0.00 0.00 174.62 173.52 1gia s HIS 322 N -0.40 0.37 -0.22 4.92 3.76 0.62 -4.95 115.29 119.39 1gia s HIS 322 Ca 0.11 -0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 54.71 1gia s HIS 322 Cb -0.12 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.29 1gia s HIS 322 CO 0.01 -0.05 0.11 -0.06 -0.85 0.00 0.00 174.74 173.90 1gia s PHE 323 N -0.56 3.27 0.15 1.40 0.40 -1.26 -0.09 117.98 121.28 1gia s PHE 323 Ca -0.04 0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1gia s PHE 323 Cb -0.04 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1gia s PHE 323 CO -0.00 0.06 -0.02 0.95 0.70 0.00 0.00 175.22 176.91 1gia s THR 324 N 0.81 0.71 -0.40 0.64 -4.23 -0.16 -4.92 115.64 108.08 1gia s THR 324 Ca 0.06 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1gia s THR 324 Cb -0.13 -1.97 0.12 0.00 1.34 0.00 0.00 72.50 71.86 1gia s THR 324 CO 0.02 -0.61 0.17 0.00 -0.54 0.00 0.00 174.62 173.65 1gia h ALA 326 N 7.22 2.11 -0.00 0.00 0.00 -1.97 -0.19 119.26 126.44 1gia h ALA 326 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1gia h ALA 326 Cb 0.96 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1gia h ALA 326 CO 0.53 -0.67 -0.33 0.25 0.00 0.00 0.00 179.25 179.02 1gia n THR 327 N -3.68 0.00 -3.19 0.00 -2.24 -1.26 -4.66 114.28 99.25 1gia n THR 327 Ca 0.07 -0.02 -0.44 0.00 -2.27 0.00 0.00 64.05 61.40 1gia n THR 327 Cb 0.63 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 1gia n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gia s ASP 328 N -2.89 6.21 0.22 3.42 -1.08 -0.08 -4.96 116.67 117.51 1gia s ASP 328 Ca 0.15 -0.97 -0.09 0.00 -0.52 0.00 0.00 52.55 51.12 1gia s ASP 328 Cb 0.18 -2.27 0.19 0.00 -1.46 0.00 0.00 42.92 39.56 1gia s ASP 328 CO 0.62 -0.85 1.89 0.74 0.52 0.00 0.00 175.17 178.09 1gia h THR 329 N 5.85 1.20 -0.74 1.71 2.02 -1.84 -2.02 112.91 119.09 1gia h THR 329 Ca -0.28 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 1gia h THR 329 Cb 1.10 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1gia h THR 329 CO 0.95 0.20 0.22 0.50 0.37 0.00 0.00 175.52 177.76 1gia h LYS 330 N 1.09 1.16 -0.07 6.66 3.64 -1.95 0.77 116.57 127.88 1gia h LYS 330 Ca 0.30 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1gia h LYS 330 Cb -0.11 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 1gia h LYS 330 CO -0.07 0.99 0.03 -0.97 -2.27 0.00 0.00 179.45 177.16 1gia h ASN 331 N 1.11 0.10 -0.39 4.20 -0.73 -1.79 -2.54 115.58 115.54 1gia h ASN 331 Ca 0.24 -0.17 -0.07 0.00 1.87 0.00 0.00 56.30 58.17 1gia h ASN 331 Cb 0.32 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 1gia h ASN 331 CO -0.01 0.25 0.01 0.58 -0.37 0.00 0.00 177.43 177.89 1gia h VAL 332 N -0.05 1.24 0.08 2.57 2.07 -1.24 -1.80 116.25 119.12 1gia h VAL 332 Ca 0.02 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1gia h VAL 332 Cb 0.18 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1gia h VAL 332 CO -0.00 0.34 -0.09 -0.61 0.02 0.00 0.00 177.57 177.23 1gia h GLN 333 N 0.72 -0.19 -0.56 1.57 4.15 -0.64 0.10 115.11 120.27 1gia h GLN 333 Ca 0.14 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.46 1gia h GLN 333 Cb 0.42 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1gia h GLN 333 CO 0.02 -0.12 -0.09 0.74 -1.93 0.00 0.00 178.83 177.44 1gia h PHE 334 N -0.19 1.17 -0.72 3.99 -1.00 -1.37 -1.80 116.94 117.02 1gia h PHE 334 Ca 0.01 -0.24 -0.06 0.00 2.81 0.00 0.00 57.97 60.49 1gia h PHE 334 Cb 0.19 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.43 1gia h PHE 334 CO -0.11 1.07 0.20 0.28 -1.61 0.00 0.00 178.31 178.14 1gia h VAL 335 N 0.94 1.26 -0.23 -0.55 2.07 -1.22 -2.14 116.25 116.38 1gia h VAL 335 Ca 0.15 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.62 1gia h VAL 335 Cb 0.67 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1gia h VAL 335 CO 0.05 0.36 -0.31 0.15 0.02 0.00 0.00 177.57 177.84 1gia h PHE 336 N 1.07 0.54 0.39 1.57 3.57 -0.86 0.88 116.94 124.11 1gia h PHE 336 Ca 0.23 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1gia h PHE 336 Cb 0.34 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1gia h PHE 336 CO 0.03 0.73 -0.32 0.22 -2.23 0.00 0.00 178.31 176.73 1gia h ASP 337 N 0.41 -0.85 -0.62 0.41 1.82 -1.08 0.24 116.42 116.74 1gia h ASP 337 Ca 0.05 0.07 0.06 0.00 -0.39 0.00 0.00 57.03 56.82 1gia h ASP 337 Cb 0.74 0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.98 1gia h ASP 337 CO 0.06 -0.48 0.33 0.00 -1.61 0.00 0.00 179.24 177.54 1gia h ALA 338 N -0.24 0.83 -0.45 -0.78 0.00 -1.12 -2.47 119.26 115.03 1gia h ALA 338 Ca -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1gia h ALA 338 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1gia h ALA 338 CO -0.02 -0.02 0.22 0.28 0.00 0.00 0.00 179.25 179.72 1gia h VAL 339 N 0.61 1.18 0.00 0.00 2.07 -0.60 -2.71 116.25 116.79 1gia h VAL 339 Ca 0.28 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1gia h VAL 339 Cb 0.20 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1gia h VAL 339 CO -0.19 0.20 -0.15 0.71 0.02 0.00 0.00 177.57 178.15 1gia h THR 340 N 0.59 0.93 -0.30 2.57 1.35 -0.51 0.03 112.91 117.58 1gia h THR 340 Ca 0.16 -0.56 -0.12 0.00 -0.55 0.00 0.00 66.41 65.34 1gia h THR 340 Cb 0.11 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 1gia h THR 340 CO -0.02 0.15 -0.31 0.44 -0.25 0.00 0.00 175.52 175.53 1gia h ASP 341 N 0.00 0.65 0.52 5.36 3.32 -1.21 -1.01 116.42 124.05 1gia h ASP 341 Ca -0.00 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 1gia h ASP 341 Cb 0.30 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1gia h ASP 341 CO 0.02 0.91 -0.10 0.58 -1.72 0.00 0.00 179.24 178.93 1gia h VAL 342 N 0.54 0.41 -0.01 -1.35 2.07 -0.72 -3.52 116.25 113.67 1gia h VAL 342 Ca 0.06 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1gia h VAL 342 Cb 0.79 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1gia h VAL 342 CO 0.06 0.10 0.00 -0.38 0.02 0.00 0.00 177.57 177.38