#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qmp s ILE 3 N 0.00 4.59 -0.23 -1.33 1.01 0.64 -4.88 121.20 120.99 1qmp s ILE 3 Ca 0.00 1.88 -0.18 0.00 0.00 0.00 0.00 60.65 62.35 1qmp s ILE 3 Cb 0.00 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1qmp s ILE 3 CO 0.00 -0.02 0.51 -0.54 0.00 0.00 0.00 174.94 174.89 1qmp s LYS 4 N 2.22 4.12 -0.05 2.79 -0.14 -1.26 -1.26 119.74 126.15 1qmp s LYS 4 Ca 0.51 0.35 0.04 0.00 -1.36 0.00 0.00 55.97 55.51 1qmp s LYS 4 Cb -0.20 -3.61 -0.02 0.00 -1.68 0.00 0.00 37.83 32.32 1qmp s LYS 4 CO 0.18 -0.25 -0.17 0.08 -0.76 0.00 0.00 175.35 174.43 1qmp s VAL 5 N 1.98 2.81 0.05 3.17 1.01 -0.01 -0.36 120.40 129.05 1qmp s VAL 5 Ca 0.22 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1qmp s VAL 5 Cb -0.15 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1qmp s VAL 5 CO 0.09 0.58 -0.15 0.00 0.00 0.00 0.00 175.10 175.62 1qmp s ILE 7 N -1.00 1.59 -0.11 0.00 1.01 -0.74 -1.07 121.20 120.88 1qmp s ILE 7 Ca 0.16 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1qmp s ILE 7 Cb -0.11 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 41.00 1qmp s ILE 7 CO 0.07 0.46 -0.04 0.00 0.00 0.00 0.00 174.94 175.43 1qmp s ALA 8 N 0.32 1.09 -0.21 9.38 0.00 0.44 -0.45 121.76 132.34 1qmp s ALA 8 Ca -0.12 -0.43 -0.27 0.00 0.00 0.00 0.00 51.96 51.13 1qmp s ALA 8 Cb -0.15 -0.89 0.10 0.00 0.00 0.00 0.00 23.12 22.18 1qmp s ALA 8 CO 0.05 -0.52 0.89 0.34 0.00 0.00 0.00 175.76 176.52 1qmp s ASP 9 N 1.81 -0.54 0.00 0.00 -1.08 -0.86 -4.33 116.67 111.67 1qmp s ASP 9 Ca 0.04 0.87 0.29 0.00 -0.52 0.00 0.00 52.55 53.23 1qmp s ASP 9 Cb -0.13 0.82 1.33 0.00 -1.46 0.00 0.00 42.92 43.48 1qmp s ASP 9 CO -0.07 -0.30 1.91 -0.90 0.52 0.00 0.00 175.17 176.33 1qmp n ASP 10 N 1.74 0.74 -4.49 -0.34 5.75 -1.24 -4.23 116.55 114.48 1qmp n ASP 10 Ca -0.13 -1.05 -0.43 0.00 -0.01 0.00 0.00 54.79 53.17 1qmp n ASP 10 Cb 0.56 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.60 1qmp n ASP 10 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1qmp s ASN 11 N -2.17 6.25 0.27 -1.12 3.84 -1.26 -4.91 114.94 115.84 1qmp s ASN 11 Ca 0.37 -0.68 -0.01 0.00 0.21 0.00 0.00 52.86 52.75 1qmp s ASN 11 Cb 0.21 -2.43 0.36 0.00 -0.55 0.00 0.00 41.25 38.84 1qmp s ASN 11 CO 0.40 -1.35 1.77 0.03 -2.79 0.00 0.00 177.10 175.16 1qmp h ARG 12 N 9.46 0.77 -0.66 0.43 3.08 -1.98 -1.55 114.38 123.93 1qmp h ARG 12 Ca -0.28 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.54 1qmp h ARG 12 Cb 1.07 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 1qmp h ARG 12 CO 1.14 0.78 0.27 0.93 -1.07 0.00 0.00 179.97 182.01 1qmp h GLU 13 N 0.73 0.98 -0.46 0.04 4.39 -1.98 -2.08 114.58 116.20 1qmp h GLU 13 Ca 0.14 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1qmp h GLU 13 Cb 0.43 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1qmp h GLU 13 CO 0.02 0.82 -0.04 1.25 -1.16 0.00 0.00 179.01 179.89 1qmp h LEU 14 N 0.93 0.83 -0.61 1.33 5.85 -1.86 -1.71 115.31 120.07 1qmp h LEU 14 Ca 0.22 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1qmp h LEU 14 Cb 0.20 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1qmp h LEU 14 CO -0.02 0.96 0.32 0.58 -0.34 0.00 0.00 178.44 179.94 1qmp h VAL 15 N 0.68 0.94 -0.58 1.05 2.07 -1.10 0.77 116.25 120.08 1qmp h VAL 15 Ca 0.12 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1qmp h VAL 15 Cb 0.56 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1qmp h VAL 15 CO 0.03 0.11 0.32 -1.28 0.02 0.00 0.00 177.57 176.77 1qmp h SER 16 N 0.60 0.72 -0.64 0.57 0.87 -1.17 0.13 113.55 114.63 1qmp h SER 16 Ca 0.28 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1qmp h SER 16 Cb 0.19 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1qmp h SER 16 CO -0.19 0.60 0.25 -0.07 -0.53 0.00 0.00 176.83 176.89 1qmp h LEU 17 N 0.78 0.89 -0.40 2.23 3.38 -0.61 -0.67 115.31 120.91 1qmp h LEU 17 Ca 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1qmp h LEU 17 Cb 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1qmp h LEU 17 CO -0.03 0.83 0.17 -0.07 0.09 0.00 0.00 178.44 179.42 1qmp h LEU 18 N 0.90 0.53 -0.11 1.67 3.38 -0.42 -1.04 115.31 120.23 1qmp h LEU 18 Ca 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qmp h LEU 18 Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1qmp h LEU 18 CO -0.02 0.54 0.07 -0.78 0.09 0.00 0.00 178.44 178.34 1qmp h ASP 19 N 0.50 0.12 0.02 -0.43 1.82 -0.53 -0.09 116.42 117.82 1qmp h ASP 19 Ca 0.13 -0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1qmp h ASP 19 Cb 0.16 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1qmp h ASP 19 CO -0.01 0.09 -0.07 -0.08 -1.61 0.00 0.00 179.24 177.55 1qmp h GLU 20 N 0.14 -0.13 0.12 0.28 4.81 -1.04 0.57 114.58 119.33 1qmp h GLU 20 Ca 0.04 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1qmp h GLU 20 Cb -0.01 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1qmp h GLU 20 CO -0.01 -0.09 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.21 1qmp h TYR 21 N -0.13 -0.15 -0.54 0.92 3.20 -1.06 -2.03 116.97 117.18 1qmp h TYR 21 Ca 0.02 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1qmp h TYR 21 Cb 0.16 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1qmp h TYR 21 CO -0.13 0.03 0.36 0.82 -1.64 0.00 0.00 178.16 177.59 1qmp h ILE 22 N -0.30 1.14 -0.19 1.81 2.04 -0.96 -2.10 117.51 118.95 1qmp h ILE 22 Ca -0.02 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1qmp h ILE 22 Cb 0.24 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1qmp h ILE 22 CO 0.03 0.13 0.15 0.28 0.00 0.00 0.00 178.15 178.74 1qmp h SER 23 N 0.73 0.00 0.96 1.72 0.02 -0.74 -1.40 113.55 114.84 1qmp h SER 23 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1qmp h SER 23 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1qmp h SER 23 CO -0.04 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.11 1qmp n SER 24 N -4.33 0.06 -4.73 3.07 3.41 -0.78 -4.81 113.62 105.51 1qmp n SER 24 Ca 0.02 0.51 -0.41 0.00 -0.26 0.00 0.00 58.87 58.72 1qmp n SER 24 Cb 0.29 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.67 1qmp n SER 24 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qmp s GLN 25 N -3.01 4.71 0.47 4.33 -1.52 -0.53 -4.96 119.66 119.16 1qmp s GLN 25 Ca 0.13 1.44 0.26 0.00 -1.95 0.00 0.00 55.36 55.25 1qmp s GLN 25 Cb 0.17 -3.36 1.02 0.00 -0.22 0.00 0.00 33.01 30.62 1qmp s GLN 25 CO 0.50 0.26 1.86 -1.00 -0.25 0.00 0.00 175.29 176.66 1qmp h PRO 26 N 5.36 0.00 -0.57 2.91 0.13 -1.87 -3.05 132.00 134.91 1qmp h PRO 26 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1qmp h PRO 26 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1qmp h PRO 26 CO 0.71 0.16 0.00 -0.40 -0.23 0.00 0.00 178.00 178.24 1qmp n ASP 27 N -3.31 4.40 -4.10 1.44 5.75 -1.26 -4.97 116.55 114.50 1qmp n ASP 27 Ca 0.00 -2.43 -0.08 0.00 -0.01 0.00 0.00 54.79 52.27 1qmp n ASP 27 Cb 0.40 -0.53 -0.10 0.00 -1.03 0.00 0.00 41.12 39.86 1qmp n ASP 27 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1qmp s MET 28 N -1.81 0.65 -0.08 0.11 -1.94 -1.15 -0.26 119.30 114.82 1qmp s MET 28 Ca 0.46 -1.24 -0.16 0.00 -1.71 0.00 0.00 55.69 53.04 1qmp s MET 28 Cb 0.30 0.15 0.03 0.00 2.01 0.00 0.00 34.83 37.33 1qmp s MET 28 CO 0.22 -0.10 0.38 -1.83 -0.01 0.00 0.00 175.02 173.68 1qmp s GLU 29 N -3.91 0.61 -0.26 2.03 -1.05 -0.39 -4.68 118.70 111.04 1qmp s GLU 29 Ca 0.08 0.20 -0.20 0.00 -0.15 0.00 0.00 54.97 54.90 1qmp s GLU 29 Cb 0.08 0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 34.03 1qmp s GLU 29 CO -0.09 -0.14 0.62 0.08 0.95 0.00 0.00 175.26 176.69 1qmp s VAL 30 N -0.59 4.98 -1.55 1.83 1.01 -1.26 -0.83 120.40 123.99 1qmp s VAL 30 Ca -0.07 1.08 0.14 0.00 0.00 0.00 0.00 61.98 63.14 1qmp s VAL 30 Cb -0.04 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.46 1qmp s VAL 30 CO 0.03 0.01 0.87 2.30 0.00 0.00 0.00 175.10 178.31 1qmp n ILE 31 N 5.22 0.00 -3.61 2.22 -5.35 -0.16 -4.92 119.36 112.76 1qmp n ILE 31 Ca -0.01 -0.42 -0.06 0.00 -0.27 0.00 0.00 62.75 61.99 1qmp n ILE 31 Cb 0.49 1.23 -0.05 0.00 -1.74 0.00 0.00 39.64 39.58 1qmp n ILE 31 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1qmp s GLY 32 N -1.48 -0.09 0.06 3.28 0.00 -1.24 -5.00 107.32 102.86 1qmp s GLY 32 Ca 0.14 2.42 0.03 0.00 0.00 0.00 0.00 44.72 47.31 1qmp s GLY 32 CO 0.27 1.05 -0.10 -0.51 0.00 0.00 0.00 173.10 173.81 1qmp s THR 33 N -1.11 0.79 -0.00 0.90 -4.23 -1.26 -1.79 115.64 108.94 1qmp s THR 33 Ca 0.04 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.18 1qmp s THR 33 Cb -0.01 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1qmp s THR 33 CO -0.03 -0.39 0.16 0.00 -0.54 0.00 0.00 174.62 173.81 1qmp s ALA 34 N -1.66 -0.38 -1.35 3.99 0.00 0.41 -4.94 121.76 117.83 1qmp s ALA 34 Ca -0.04 -0.04 0.12 0.00 0.00 0.00 0.00 51.96 52.01 1qmp s ALA 34 Cb -0.08 0.07 0.16 0.00 0.00 0.00 0.00 23.12 23.27 1qmp s ALA 34 CO 0.01 -0.20 0.99 0.66 0.00 0.00 0.00 175.76 177.22 1qmp n TYR 35 N 1.57 0.14 -3.90 0.00 4.01 -1.26 -2.03 117.16 115.69 1qmp n TYR 35 Ca -0.22 -0.14 -0.09 0.00 -0.16 0.00 0.00 57.90 57.29 1qmp n TYR 35 Cb 0.56 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.54 1qmp n TYR 35 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1qmp s ASN 36 N -1.00 -0.15 0.21 7.72 2.20 -1.26 -3.64 114.94 119.02 1qmp s ASN 36 Ca 0.17 -0.76 -0.07 0.00 -0.94 0.00 0.00 52.86 51.27 1qmp s ASN 36 Cb 0.11 0.59 0.17 0.00 -2.00 0.00 0.00 41.25 40.11 1qmp s ASN 36 CO 0.16 -1.12 1.70 1.23 -2.94 0.00 0.00 177.10 176.12 1qmp h GLY 37 N 2.23 1.09 0.99 0.45 0.00 -1.07 -1.29 103.07 105.47 1qmp h GLY 37 Ca -0.26 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.27 1qmp h GLY 37 CO 0.35 0.69 0.11 1.46 0.00 0.00 0.00 176.54 179.15 1qmp h GLN 38 N 0.93 0.84 -0.10 4.80 1.08 -0.90 -1.50 115.11 120.27 1qmp h GLN 38 Ca 0.18 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 1qmp h GLN 38 Cb 0.48 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1qmp h GLN 38 CO 0.02 0.82 -0.27 -0.44 -0.95 0.00 0.00 178.83 178.01 1qmp h ASP 39 N 0.73 0.18 -0.24 1.46 3.32 -1.82 -1.81 116.42 118.23 1qmp h ASP 39 Ca 0.16 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1qmp h ASP 39 Cb 0.37 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1qmp h ASP 39 CO 0.01 0.45 0.08 0.00 -1.72 0.00 0.00 179.24 178.06 1qmp h LEU 41 N 0.23 1.09 -0.42 0.00 3.38 -1.01 -0.60 115.31 117.98 1qmp h LEU 41 Ca 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1qmp h LEU 41 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1qmp h LEU 41 CO -0.00 0.97 0.17 -0.61 0.09 0.00 0.00 178.44 179.06 1qmp h GLN 42 N 1.14 0.63 -0.63 1.13 5.75 -1.18 -2.10 115.11 119.84 1qmp h GLN 42 Ca 0.26 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1qmp h GLN 42 Cb 0.24 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1qmp h GLN 42 CO -0.02 0.59 0.42 1.98 -2.65 0.00 0.00 178.83 179.15 1qmp h MET 43 N 0.54 0.80 0.00 1.69 4.05 -0.56 -1.41 114.93 120.03 1qmp h MET 43 Ca 0.14 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1qmp h MET 43 Cb 0.19 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1qmp h MET 43 CO -0.01 0.53 0.00 -0.07 0.23 0.00 0.00 176.91 177.59 1qmp h LEU 44 N 0.82 0.00 -0.38 3.39 3.38 -0.58 0.21 115.31 122.16 1qmp h LEU 44 Ca 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1qmp h LEU 44 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1qmp h LEU 44 CO -0.06 0.00 -0.81 -0.33 0.09 0.00 0.00 178.44 177.33 1qmp h GLU 45 N 0.00 0.19 0.00 1.13 5.08 -0.62 -3.34 114.58 117.02 1qmp h GLU 45 Ca 0.00 -0.19 -0.31 0.00 -1.00 0.00 0.00 59.36 57.86 1qmp h GLU 45 Cb 0.66 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1qmp h GLU 45 CO 0.00 0.90 -1.97 0.39 -1.00 0.00 0.00 179.01 177.33 1qmp n GLU 46 N -3.70 0.65 -4.26 2.33 1.02 -0.95 -4.98 120.64 110.76 1qmp n GLU 46 Ca -0.03 0.16 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 1qmp n GLU 46 Cb 0.76 -1.68 -0.07 0.00 -0.02 0.00 0.00 31.44 30.43 1qmp n GLU 46 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qmp s LYS 47 N -2.59 2.33 -0.53 3.49 -0.14 0.70 -5.08 119.74 117.91 1qmp s LYS 47 Ca -0.07 -1.44 0.07 0.00 -1.36 0.00 0.00 55.97 53.17 1qmp s LYS 47 Cb 0.07 -2.17 0.25 0.00 -1.68 0.00 0.00 37.83 34.30 1qmp s LYS 47 CO 0.83 0.32 0.65 0.54 -0.76 0.00 0.00 175.35 176.92 1qmp n ARG 48 N -0.95 1.75 -2.02 1.68 5.12 -1.26 -4.61 116.66 116.37 1qmp n ARG 48 Ca -0.06 -4.05 -0.33 0.00 -1.93 0.00 0.00 57.85 51.47 1qmp n ARG 48 Cb 0.59 -1.82 0.02 0.00 -1.16 0.00 0.00 32.46 30.10 1qmp n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1qmp s PRO 49 N -1.91 3.16 0.10 5.56 0.04 -1.26 -4.95 135.00 135.73 1qmp s PRO 49 Ca 0.38 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 1qmp s PRO 49 Cb 0.16 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 32.51 1qmp s PRO 49 CO -0.06 -0.96 1.22 -0.44 0.04 0.00 0.00 177.00 176.81 1qmp h ASP 50 N 0.52 0.71 -3.91 6.66 3.32 -1.08 -3.33 116.42 119.32 1qmp h ASP 50 Ca -0.48 -0.59 -0.43 0.00 0.02 0.00 0.00 57.03 55.55 1qmp h ASP 50 Cb 1.24 -0.22 -0.30 0.00 0.22 0.00 0.00 39.33 40.27 1qmp h ASP 50 CO 0.56 1.40 -0.79 -0.63 -1.72 0.00 0.00 179.24 178.06 1qmp s ILE 51 N -3.20 0.81 -0.13 0.35 -1.09 -0.67 -0.33 121.20 116.94 1qmp s ILE 51 Ca -0.08 -0.40 0.03 0.00 -2.23 0.00 0.00 60.65 57.97 1qmp s ILE 51 Cb 0.08 -0.71 0.01 0.00 -1.58 0.00 0.00 42.46 40.25 1qmp s ILE 51 CO 0.90 0.25 -0.22 -0.22 -1.23 0.00 0.00 174.94 174.41 1qmp s LEU 52 N 0.04 2.13 -0.24 2.97 2.96 -0.41 -0.72 118.68 125.40 1qmp s LEU 52 Ca -0.01 -0.58 -0.15 0.00 -0.22 0.00 0.00 54.13 53.17 1qmp s LEU 52 Cb -0.07 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 1qmp s LEU 52 CO 0.00 0.11 0.37 -0.76 -1.32 0.00 0.00 176.35 174.75 1qmp s LEU 53 N 0.66 4.09 0.00 -0.68 1.43 -0.24 -0.71 118.68 123.23 1qmp s LEU 53 Ca -0.11 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1qmp s LEU 53 Cb -0.16 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 1qmp s LEU 53 CO 0.02 -0.13 0.06 -0.11 0.23 0.00 0.00 176.35 176.42 1qmp n LEU 54 N 4.94 0.00 0.09 1.79 7.94 -0.03 -0.42 117.00 131.31 1qmp n LEU 54 Ca -0.09 -1.45 0.00 0.00 -1.11 0.00 0.00 56.01 53.36 1qmp n LEU 54 Cb 0.51 0.42 0.00 0.00 0.53 0.00 0.00 43.42 44.88 1qmp n LEU 54 CO 0.38 -0.22 -0.03 -0.38 -1.11 0.00 0.00 177.39 176.03 1qmp n ILE 56 N -0.45 0.61 -2.18 1.96 5.41 -1.26 -0.81 119.36 122.63 1qmp n ILE 56 Ca -0.04 0.20 -0.38 0.00 1.00 0.00 0.00 62.75 63.53 1qmp n ILE 56 Cb 0.29 -1.09 -0.03 0.00 -0.71 0.00 0.00 39.64 38.09 1qmp n ILE 56 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1qmp s ILE 57 N -2.00 3.47 0.06 1.39 1.01 -1.26 0.12 121.20 123.98 1qmp s ILE 57 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.73 1qmp s ILE 57 Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1qmp s ILE 57 CO 0.00 -1.18 0.21 -0.04 0.00 0.00 0.00 174.94 173.93 1qmp s MET 58 N 6.66 0.76 0.78 2.79 -1.94 -1.26 -4.74 119.30 122.35 1qmp s MET 58 Ca 0.59 -0.71 -0.12 0.00 -1.71 0.00 0.00 55.69 53.74 1qmp s MET 58 Cb -0.11 0.32 0.06 0.00 2.01 0.00 0.00 34.83 37.11 1qmp s MET 58 CO 0.17 -0.23 1.12 -1.25 -0.01 0.00 0.00 175.02 174.81 1qmp s PRO 59 N -2.97 2.21 -0.96 2.03 0.04 -1.26 -4.09 135.00 129.99 1qmp s PRO 59 Ca -0.02 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.34 1qmp s PRO 59 Cb 0.01 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1qmp s PRO 59 CO -0.06 -1.49 0.70 0.72 0.04 0.00 0.00 177.00 176.91 1qmp n HIS 60 N -3.31 -2.09 -0.40 0.56 8.25 -1.26 -3.11 115.22 113.87 1qmp n HIS 60 Ca 0.07 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 1qmp n HIS 60 Cb 0.58 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 28.45 1qmp n HIS 60 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qmp n LEU 61 N -3.30 -1.18 -4.97 2.41 4.32 -1.26 -0.33 117.00 112.69 1qmp n LEU 61 Ca -0.16 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.59 1qmp n LEU 61 Cb 0.61 -0.59 0.09 0.00 -1.62 0.00 0.00 43.42 41.91 1qmp n LEU 61 CO 0.64 0.00 0.56 1.51 -1.22 0.00 0.00 177.39 178.88 1qmp s ASP 62 N 0.00 4.51 0.48 -1.43 1.47 -1.26 -2.14 116.67 118.31 1qmp s ASP 62 Ca 0.00 -0.07 0.13 0.00 1.18 0.00 0.00 52.55 53.79 1qmp s ASP 62 Cb 0.00 -0.44 1.11 0.00 -0.34 0.00 0.00 42.92 43.25 1qmp s ASP 62 CO 0.00 -1.74 2.12 1.23 0.68 0.00 0.00 175.17 177.45 1qmp h GLY 63 N -0.53 0.22 1.57 2.12 0.00 -0.65 -1.99 103.07 103.82 1qmp h GLY 63 Ca -0.40 -0.08 -0.19 0.00 0.00 0.00 0.00 47.33 46.66 1qmp h GLY 63 CO 0.46 0.08 -0.75 1.41 0.00 0.00 0.00 176.54 177.74 1qmp h LEU 64 N 0.21 0.50 -0.74 3.11 3.38 -1.94 -0.51 115.31 119.33 1qmp h LEU 64 Ca 0.06 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1qmp h LEU 64 Cb -0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1qmp h LEU 64 CO -0.01 1.08 -0.04 0.00 0.09 0.00 0.00 178.44 179.56 1qmp h ALA 65 N 0.91 0.94 0.28 1.53 0.00 -1.81 -1.88 119.26 119.22 1qmp h ALA 65 Ca -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1qmp h ALA 65 Cb 1.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1qmp h ALA 65 CO 0.13 0.63 -0.16 0.28 0.00 0.00 0.00 179.25 180.13 1qmp h VAL 66 N 0.84 0.66 -0.44 0.00 2.07 -1.23 -1.19 116.25 116.96 1qmp h VAL 66 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 1qmp h VAL 66 Cb 0.56 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 1qmp h VAL 66 CO 0.03 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 177.35 1qmp h LEU 67 N -0.42 -0.69 -0.70 2.57 3.38 -0.94 -0.32 115.31 118.19 1qmp h LEU 67 Ca -0.03 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1qmp h LEU 67 Cb 0.34 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1qmp h LEU 67 CO 0.04 -0.23 0.43 -0.08 0.09 0.00 0.00 178.44 178.68 1qmp h GLU 68 N -0.11 0.80 -0.38 1.13 4.81 -1.23 -2.09 114.58 117.51 1qmp h GLU 68 Ca 0.21 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1qmp h GLU 68 Cb 0.44 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1qmp h GLU 68 CO -0.51 0.53 -0.08 0.00 -0.73 0.00 0.00 179.01 178.22 1qmp h ARG 69 N 0.83 0.65 -0.35 1.92 2.47 -0.57 -2.31 114.38 117.01 1qmp h ARG 69 Ca 0.29 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.77 1qmp h ARG 69 Cb 0.05 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1qmp h ARG 69 CO -0.12 0.73 0.04 0.82 0.56 0.00 0.00 179.97 182.00 1qmp h ILE 70 N 0.60 1.24 -0.40 2.04 2.04 -0.77 -2.87 117.51 119.39 1qmp h ILE 70 Ca 0.11 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 1qmp h ILE 70 Cb 0.50 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1qmp h ILE 70 CO 0.03 0.29 0.11 -0.09 0.00 0.00 0.00 178.15 178.49 1qmp h ARG 71 N 0.42 0.59 0.00 2.37 2.43 -1.25 -2.03 114.38 116.91 1qmp h ARG 71 Ca 0.10 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1qmp h ARG 71 Cb 0.38 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1qmp h ARG 71 CO 0.01 0.53 0.00 0.00 -1.51 0.00 0.00 179.97 179.00 1qmp n ALA 72 N -2.47 1.97 -2.37 2.80 0.00 -0.88 -5.11 120.51 114.44 1qmp n ALA 72 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1qmp n ALA 72 Cb 0.19 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1qmp n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qmp n GLY 73 N 0.68 2.99 3.36 0.00 0.00 -0.77 -5.09 105.19 106.36 1qmp n GLY 73 Ca 0.05 -1.57 -0.53 0.00 0.00 0.00 0.00 46.02 43.97 1qmp n GLY 73 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qmp n HIS 76 N 0.00 1.17 -3.84 1.61 -0.00 -1.26 -5.07 115.22 107.83 1qmp n HIS 76 Ca 0.00 0.53 -0.35 0.00 -0.00 0.00 0.00 57.72 57.90 1qmp n HIS 76 Cb 0.00 -2.39 -0.05 0.00 -0.00 0.00 0.00 29.99 27.55 1qmp n HIS 76 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1qmp s GLN 77 N 6.77 3.50 0.92 1.57 -0.21 -1.26 -4.93 119.66 126.02 1qmp s GLN 77 Ca 1.19 -0.14 -0.11 0.00 0.02 0.00 0.00 55.36 56.32 1qmp s GLN 77 Cb -1.22 -3.14 0.14 0.00 1.00 0.00 0.00 33.01 29.79 1qmp s GLN 77 CO 0.56 0.72 1.09 -1.25 -2.12 0.00 0.00 175.29 174.29 1qmp s PRO 78 N -1.45 1.09 0.10 2.91 0.04 -1.25 -4.99 135.00 131.45 1qmp s PRO 78 Ca 0.22 0.88 -0.26 0.00 0.04 0.00 0.00 61.00 61.88 1qmp s PRO 78 Cb -0.13 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1qmp s PRO 78 CO 0.11 -2.37 0.81 -0.80 0.04 0.00 0.00 177.00 174.79 1qmp s ASN 79 N -3.30 7.34 -0.18 6.66 0.02 0.55 -4.86 114.94 121.18 1qmp s ASN 79 Ca 0.64 1.59 -0.06 0.00 -1.02 0.00 0.00 52.86 54.02 1qmp s ASN 79 Cb -0.19 -2.51 -0.03 0.00 0.02 0.00 0.00 41.25 38.54 1qmp s ASN 79 CO 0.58 0.06 0.01 -0.69 0.02 0.00 0.00 177.10 177.08 1qmp s VAL 80 N -0.42 4.29 -0.27 1.60 1.01 -1.26 -1.29 120.40 124.06 1qmp s VAL 80 Ca 0.39 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1qmp s VAL 80 Cb -0.22 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1qmp s VAL 80 CO 0.26 0.46 0.02 -0.63 0.00 0.00 0.00 175.10 175.20 1qmp s ILE 81 N 0.50 3.48 0.22 2.22 1.01 0.11 -0.29 121.20 128.46 1qmp s ILE 81 Ca -0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 1qmp s ILE 81 Cb -0.14 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 39.47 1qmp s ILE 81 CO 0.02 0.15 1.23 -0.04 0.00 0.00 0.00 174.94 176.29 1qmp s MET 82 N 1.43 4.47 -0.36 2.79 -1.94 -0.59 -0.85 119.30 124.26 1qmp s MET 82 Ca 0.02 1.96 -0.00 0.00 -1.71 0.00 0.00 55.69 55.95 1qmp s MET 82 Cb -0.17 -3.20 0.13 0.00 2.01 0.00 0.00 34.83 33.60 1qmp s MET 82 CO -0.01 -0.10 0.19 -1.17 -0.01 0.00 0.00 175.02 173.92 1qmp s LEU 83 N -0.59 1.55 0.07 -0.03 2.96 0.01 -0.59 118.68 122.05 1qmp s LEU 83 Ca 0.52 -2.06 -0.11 0.00 -0.22 0.00 0.00 54.13 52.26 1qmp s LEU 83 Cb -0.34 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 45.73 1qmp s LEU 83 CO 0.40 -0.34 0.24 0.28 -1.32 0.00 0.00 176.35 175.61 1qmp s THR 84 N 1.14 0.11 -0.55 3.68 -1.32 -0.91 -4.44 115.64 113.36 1qmp s THR 84 Ca 0.15 -0.92 0.24 0.00 -1.21 0.00 0.00 61.69 59.95 1qmp s THR 84 Cb -0.21 -1.10 0.30 0.00 -1.51 0.00 0.00 72.50 69.98 1qmp s THR 84 CO -0.09 -0.51 1.65 0.00 -2.21 0.00 0.00 174.62 173.45 1qmp h ALA 85 N 3.04 0.97 -1.80 11.08 0.00 -1.88 -0.48 119.26 130.20 1qmp h ALA 85 Ca -0.33 0.00 -0.79 0.00 0.00 0.00 0.00 54.91 53.79 1qmp h ALA 85 Cb 1.20 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.75 1qmp h ALA 85 CO 0.51 0.00 1.07 0.34 0.00 0.00 0.00 179.25 181.17 1qmp n PHE 86 N -2.74 3.43 -1.83 0.00 7.35 -1.26 -4.79 117.46 117.62 1qmp n PHE 86 Ca 0.04 -3.02 -0.34 0.00 -0.76 0.00 0.00 57.45 53.37 1qmp n PHE 86 Cb 0.49 -1.64 -0.02 0.00 0.35 0.00 0.00 39.48 38.67 1qmp n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qmp n GLY 87 N 2.31 4.98 3.77 7.13 0.00 -1.26 -4.81 105.19 117.31 1qmp n GLY 87 Ca 0.30 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1qmp n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qmp s GLN 88 N -2.31 4.07 0.25 1.61 -0.44 -1.26 -4.80 119.66 116.78 1qmp s GLN 88 Ca 0.54 1.71 -0.04 0.00 -2.50 0.00 0.00 55.36 55.07 1qmp s GLN 88 Cb 0.32 -2.61 0.47 0.00 -1.64 0.00 0.00 33.01 29.56 1qmp s GLN 88 CO -0.22 -0.27 1.70 0.93 0.50 0.00 0.00 175.29 177.94 1qmp h GLU 89 N 2.54 0.34 0.00 1.67 4.39 -2.01 -0.75 114.58 120.77 1qmp h GLU 89 Ca -0.49 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.07 1qmp h GLU 89 Cb 1.23 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1qmp h GLU 89 CO 0.62 0.22 -0.57 -0.44 -1.16 0.00 0.00 179.01 177.68 1qmp h ASP 90 N 0.35 0.00 -0.16 1.42 3.32 -1.99 -3.11 116.42 116.25 1qmp h ASP 90 Ca 0.42 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.28 1qmp h ASP 90 Cb 0.70 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.25 1qmp h ASP 90 CO -0.46 0.57 -0.66 0.58 -1.72 0.00 0.00 179.24 177.55 1qmp h VAL 91 N 0.00 1.30 -0.49 -1.35 2.07 -1.52 -1.43 116.25 114.83 1qmp h VAL 91 Ca -0.01 -1.88 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 1qmp h VAL 91 Cb 1.20 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1qmp h VAL 91 CO 0.07 0.59 0.25 0.71 0.02 0.00 0.00 177.57 179.21 1qmp h THR 92 N 0.44 1.18 -0.78 2.57 1.35 -1.43 -0.19 112.91 116.06 1qmp h THR 92 Ca -0.04 -0.51 -0.01 0.00 -0.55 0.00 0.00 66.41 65.31 1qmp h THR 92 Cb 1.29 0.62 -0.04 0.00 -1.73 0.00 0.00 68.15 68.29 1qmp h THR 92 CO 0.14 0.20 0.45 0.50 -0.25 0.00 0.00 175.52 176.56 1qmp h LYS 93 N 0.65 1.08 -0.46 4.72 3.64 -1.54 -2.43 116.57 122.23 1qmp h LYS 93 Ca 0.17 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1qmp h LYS 93 Cb 0.10 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1qmp h LYS 93 CO -0.02 0.78 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.57 1qmp h LYS 94 N 1.08 0.86 -0.37 1.90 1.63 -0.92 -1.20 116.57 119.55 1qmp h LYS 94 Ca 0.28 -0.32 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1qmp h LYS 94 Cb -0.01 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1qmp h LYS 94 CO -0.05 0.95 0.15 0.00 -3.45 0.00 0.00 179.45 177.06 1qmp h ALA 95 N 1.06 0.47 -0.36 5.00 0.00 -0.82 0.20 119.26 124.81 1qmp h ALA 95 Ca 0.12 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1qmp h ALA 95 Cb 0.67 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1qmp h ALA 95 CO 0.05 0.07 -0.25 -0.24 0.00 0.00 0.00 179.25 178.88 1qmp h VAL 96 N 0.45 1.27 -0.82 0.00 3.04 -1.25 -0.47 116.25 118.46 1qmp h VAL 96 Ca 0.12 -1.35 0.02 0.00 -1.01 0.00 0.00 66.70 64.48 1qmp h VAL 96 Cb 0.17 1.26 -0.04 0.00 -2.01 0.00 0.00 31.29 30.67 1qmp h VAL 96 CO -0.01 0.45 0.54 -0.08 -1.01 0.00 0.00 177.57 177.46 1qmp h GLU 97 N 0.63 1.03 -0.00 4.17 4.81 -0.77 -1.76 114.58 122.69 1qmp h GLU 97 Ca 0.08 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1qmp h GLU 97 Cb 0.75 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1qmp h GLU 97 CO 0.06 0.68 -0.00 1.28 -0.73 0.00 0.00 179.01 180.30 1qmp n LEU 98 N -4.43 0.19 0.00 1.64 4.77 0.02 -4.93 117.00 114.26 1qmp n LEU 98 Ca 0.10 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1qmp n LEU 98 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1qmp n LEU 98 CO 0.36 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1qmp n GLY 99 N 1.04 0.94 3.77 -0.72 0.00 -0.66 -4.71 105.19 104.85 1qmp n GLY 99 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1qmp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qmp s ALA 100 N -2.00 3.27 0.04 4.61 0.00 -0.22 -4.72 121.76 122.74 1qmp s ALA 100 Ca 0.00 1.32 -0.10 0.00 0.00 0.00 0.00 51.96 53.18 1qmp s ALA 100 Cb 0.00 -3.52 -0.32 0.00 0.00 0.00 0.00 23.12 19.28 1qmp s ALA 100 CO 0.00 -0.94 1.01 0.77 0.00 0.00 0.00 175.76 176.60 1qmp h SER 101 N 2.60 0.63 -5.13 0.00 0.02 -0.99 -3.43 113.55 107.25 1qmp h SER 101 Ca -0.50 -0.70 -0.03 0.00 -0.84 0.00 0.00 61.79 59.72 1qmp h SER 101 Cb 1.25 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 1qmp h SER 101 CO 0.62 1.56 0.10 -0.47 -1.14 0.00 0.00 176.83 177.50 1qmp s TYR 102 N -2.62 0.18 -0.19 3.45 5.04 -1.14 -5.03 117.35 117.04 1qmp s TYR 102 Ca -0.08 -0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 53.86 1qmp s TYR 102 Cb 0.06 0.51 0.10 0.00 0.35 0.00 0.00 41.96 42.97 1qmp s TYR 102 CO 0.91 -1.25 0.31 0.12 -1.34 0.00 0.00 175.55 174.30 1qmp s PHE 103 N -3.44 -0.57 -0.10 4.97 2.19 -1.26 -1.53 117.98 118.24 1qmp s PHE 103 Ca 0.17 0.86 0.03 0.00 0.33 0.00 0.00 56.93 58.32 1qmp s PHE 103 Cb -0.04 -0.03 -0.01 0.00 -1.31 0.00 0.00 43.02 41.63 1qmp s PHE 103 CO 0.10 -0.54 -0.18 0.42 1.83 0.00 0.00 175.22 176.85 1qmp s ILE 104 N 2.47 2.62 0.36 3.12 1.01 0.24 -4.95 121.20 126.07 1qmp s ILE 104 Ca 0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 1qmp s ILE 104 Cb -0.14 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 40.20 1qmp s ILE 104 CO -0.12 0.55 0.77 -0.76 0.00 0.00 0.00 174.94 175.38 1qmp s LEU 105 N 0.09 3.98 0.16 2.97 1.43 -1.26 -2.15 118.68 123.90 1qmp s LEU 105 Ca -0.08 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.14 1qmp s LEU 105 Cb -0.15 -4.11 -0.07 0.00 0.03 0.00 0.00 46.19 41.88 1qmp s LEU 105 CO 0.05 -0.28 0.59 -0.54 0.23 0.00 0.00 176.35 176.41 1qmp s LYS 106 N -3.26 4.06 0.46 1.70 1.02 -0.19 -3.70 119.74 119.82 1qmp s LYS 106 Ca 0.54 0.60 -0.17 0.00 0.02 0.00 0.00 55.97 56.96 1qmp s LYS 106 Cb -0.10 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.19 1qmp s LYS 106 CO 0.21 0.46 0.93 -1.25 -0.92 0.00 0.00 175.35 174.78 1qmp s PRO 107 N -1.93 4.03 0.24 -1.68 0.04 -1.26 -4.66 135.00 129.78 1qmp s PRO 107 Ca 0.39 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.40 1qmp s PRO 107 Cb -0.16 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1qmp s PRO 107 CO 0.20 -0.13 0.00 -0.59 0.04 0.00 0.00 177.00 176.51 1qmp s PHE 108 N -2.40 1.63 -0.20 0.56 -0.71 -1.24 -5.14 117.98 110.47 1qmp s PHE 108 Ca 0.59 -0.92 -0.10 0.00 -1.04 0.00 0.00 56.93 55.46 1qmp s PHE 108 Cb -0.10 -0.96 -0.05 0.00 -1.21 0.00 0.00 43.02 40.71 1qmp s PHE 108 CO 0.24 -0.02 0.13 0.34 -1.34 0.00 0.00 175.22 174.56 1qmp s ASP 109 N -3.33 6.16 0.30 1.98 2.15 -1.26 -5.01 116.67 117.66 1qmp s ASP 109 Ca 0.30 0.21 0.01 0.00 0.43 0.00 0.00 52.55 53.50 1qmp s ASP 109 Cb 0.06 -2.08 0.54 0.00 -0.30 0.00 0.00 42.92 41.14 1qmp s ASP 109 CO 0.10 0.17 1.89 0.24 -0.17 0.00 0.00 175.17 177.40 1qmp h MET 110 N 6.72 0.99 -0.52 4.34 2.86 -2.01 -0.95 114.93 126.36 1qmp h MET 110 Ca -0.41 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.11 1qmp h MET 110 Cb 1.15 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 1qmp h MET 110 CO 0.75 0.65 0.07 0.93 1.06 0.00 0.00 176.91 180.37 1qmp h GLU 111 N 1.02 0.87 -0.62 1.72 4.39 -1.99 -0.50 114.58 119.47 1qmp h GLU 111 Ca 0.42 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 1qmp h GLU 111 Cb 0.28 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1qmp h GLU 111 CO -0.17 0.86 0.08 -0.97 -1.16 0.00 0.00 179.01 177.65 1qmp h ASN 112 N 0.75 0.99 -0.62 1.42 -1.24 -1.87 -0.81 115.58 114.20 1qmp h ASN 112 Ca 0.16 -0.27 0.01 0.00 0.71 0.00 0.00 56.30 56.91 1qmp h ASN 112 Cb 0.42 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 1qmp h ASN 112 CO 0.01 1.01 0.41 0.25 -1.29 0.00 0.00 177.43 177.83 1qmp h LEU 113 N 0.94 0.71 -0.80 0.34 5.85 -0.85 -1.56 115.31 119.94 1qmp h LEU 113 Ca 0.19 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1qmp h LEU 113 Cb 0.45 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1qmp h LEU 113 CO 0.02 0.52 0.15 0.00 -0.34 0.00 0.00 178.44 178.78 1qmp h ALA 114 N 1.23 1.02 -0.47 1.25 0.00 -0.72 0.02 119.26 121.59 1qmp h ALA 114 Ca 0.23 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1qmp h ALA 114 Cb -0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 1qmp h ALA 114 CO -0.05 0.64 0.18 1.25 0.00 0.00 0.00 179.25 181.27 1qmp h HIS 115 N 1.00 0.32 -0.13 0.00 -0.00 -0.65 -1.80 115.15 113.88 1qmp h HIS 115 Ca 0.21 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.48 1qmp h HIS 115 Cb 0.37 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1qmp h HIS 115 CO 0.03 0.12 -0.45 0.45 -0.00 0.00 0.00 177.93 178.07 1qmp h HIS 116 N 0.36 0.37 0.01 5.26 -0.00 -0.78 -0.95 115.15 119.42 1qmp h HIS 116 Ca 0.22 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1qmp h HIS 116 Cb 0.21 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1qmp h HIS 116 CO -0.15 0.71 -0.03 0.82 -0.00 0.00 0.00 177.93 179.28 1qmp h ILE 117 N 0.25 0.92 -0.53 2.45 2.04 -0.52 -0.01 117.51 122.11 1qmp h ILE 117 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1qmp h ILE 117 Cb 0.90 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1qmp h ILE 117 CO 0.07 0.00 0.34 0.03 0.00 0.00 0.00 178.15 178.59 1qmp h ARG 118 N -0.06 0.71 -0.53 2.37 3.08 -1.22 -1.17 114.38 117.56 1qmp h ARG 118 Ca 0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1qmp h ARG 118 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1qmp h ARG 118 CO -0.02 0.49 0.14 1.96 -1.07 0.00 0.00 179.97 181.47 1qmp h GLN 119 N 0.72 0.84 -0.49 0.04 1.08 -0.94 -2.06 115.11 114.30 1qmp h GLN 119 Ca 0.19 -0.20 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1qmp h GLN 119 Cb -0.05 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1qmp h GLN 119 CO -0.04 0.79 -0.06 0.28 -0.95 0.00 0.00 178.83 178.85 1qmp h VAL 120 N 0.74 1.27 -0.48 -0.54 2.07 -0.87 -2.81 116.25 115.63 1qmp h VAL 120 Ca 0.17 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1qmp h VAL 120 Cb 0.32 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1qmp h VAL 120 CO -0.00 0.41 0.28 0.22 0.02 0.00 0.00 177.57 178.50 1qmp h TYR 121 N 0.76 0.64 -0.14 1.57 3.20 -1.13 -3.10 116.97 118.77 1qmp h TYR 121 Ca 0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1qmp h TYR 121 Cb 0.60 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1qmp h TYR 121 CO 0.04 0.46 0.00 0.41 -1.64 0.00 0.00 178.16 177.43 1qmp n GLY 122 N -1.08 1.03 3.80 1.82 0.00 -0.78 -4.97 105.19 105.01 1qmp n GLY 122 Ca 0.02 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1qmp n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qmp s LYS 123 N -1.54 4.05 -0.01 1.61 -2.85 -1.07 -4.99 119.74 114.93 1qmp s LYS 123 Ca 0.12 1.27 -0.09 0.00 -1.00 0.00 0.00 55.97 56.27 1qmp s LYS 123 Cb 0.08 -2.20 -0.30 0.00 -2.06 0.00 0.00 37.83 33.34 1qmp s LYS 123 CO 0.05 -0.20 0.80 1.79 0.10 0.00 0.00 175.35 177.89 1qmp h THR 124 N 1.81 1.08 0.00 3.79 1.35 -1.93 -3.51 112.91 115.51 1qmp h THR 124 Ca -0.49 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 1qmp h THR 124 Cb 1.20 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.43 1qmp h THR 124 CO 0.60 0.84 0.00 1.07 -0.25 0.00 0.00 175.52 177.78 1qmp n THR 125 N -3.56 0.00 0.18 6.82 5.66 -1.26 -4.66 114.28 117.46 1qmp n THR 125 Ca -0.20 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.84 1qmp n THR 125 Cb 1.07 0.00 0.34 0.00 -1.55 0.00 0.00 70.33 70.19 1qmp n THR 125 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1qmp h PRO 126 N 0.00 0.00 -5.54 1.09 0.14 -2.07 -3.42 132.00 122.20 1qmp h PRO 126 Ca 0.00 0.00 -0.65 0.00 0.14 0.00 0.00 66.00 65.49 1qmp h PRO 126 Cb 0.00 0.00 -0.17 0.00 0.14 0.00 0.00 31.00 30.97 1qmp h PRO 126 CO 0.00 0.40 -0.61 0.08 0.14 0.00 0.00 178.00 178.02 1qmp s VAL 127 N -3.78 4.42 0.00 1.56 1.01 -1.26 -5.35 120.40 117.00 1qmp s VAL 127 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1qmp s VAL 127 Cb 0.12 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1qmp s VAL 127 CO 0.70 0.53 0.15 1.33 0.00 0.00 0.00 175.10 177.81