#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqt s ASN 2 N 0.00 -0.35 0.11 0.00 3.84 -1.26 -5.12 114.94 112.16 2oqt s ASN 2 Ca 0.00 0.53 -0.28 0.00 0.21 0.00 0.00 52.86 53.33 2oqt s ASN 2 Cb 0.00 1.25 -0.09 0.00 -0.55 0.00 0.00 41.25 41.87 2oqt s ASN 2 CO 0.00 -0.08 1.63 0.25 -2.79 0.00 0.00 177.10 176.11 2oqt h LEU 3 N 6.31 -0.82 0.41 3.21 5.85 -1.97 0.81 115.31 129.11 2oqt h LEU 3 Ca -0.23 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2oqt h LEU 3 Cb 1.16 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 2oqt h LEU 3 CO 0.16 -0.38 -0.34 0.50 -0.34 0.00 0.00 178.44 178.04 2oqt h LYS 4 N -0.51 -0.73 -0.89 1.25 3.11 -1.95 -2.58 116.57 114.27 2oqt h LYS 4 Ca 0.03 0.05 0.07 0.00 -2.81 0.00 0.00 60.65 57.99 2oqt h LYS 4 Cb 0.53 0.17 -0.07 0.00 -1.00 0.00 0.00 32.23 31.86 2oqt h LYS 4 CO -0.16 -0.49 0.55 1.96 -2.81 0.00 0.00 179.45 178.50 2oqt h GLN 5 N -0.76 0.95 -0.52 1.90 1.08 -1.98 -2.14 115.11 113.64 2oqt h GLN 5 Ca -0.04 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 2oqt h GLN 5 Cb 0.66 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2oqt h GLN 5 CO -0.02 0.63 -0.07 0.00 -0.95 0.00 0.00 178.83 178.42 2oqt h ALA 6 N 1.43 0.89 -0.45 3.87 0.00 -0.76 0.59 119.26 124.82 2oqt h ALA 6 Ca 0.40 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2oqt h ALA 6 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2oqt h ALA 6 CO -0.19 0.64 0.15 -0.07 0.00 0.00 0.00 179.25 179.78 2oqt h LEU 7 N 0.85 0.66 0.00 0.00 4.07 -1.23 -1.85 115.31 117.81 2oqt h LEU 7 Ca 0.14 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.90 2oqt h LEU 7 Cb 0.60 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2oqt h LEU 7 CO 0.04 0.68 0.00 -0.38 -1.08 0.00 0.00 178.44 177.70 2oqt n ILE 8 N -4.55 0.00 -0.31 1.22 5.41 -0.83 -1.44 119.36 118.86 2oqt n ILE 8 Ca 0.01 1.01 0.27 0.00 1.00 0.00 0.00 62.75 65.04 2oqt n ILE 8 Cb 0.18 -1.90 0.42 0.00 -0.71 0.00 0.00 39.64 37.63 2oqt n ILE 8 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2oqt n ASP 9 N -1.10 0.00 -0.21 4.38 8.00 0.20 0.95 116.55 128.77 2oqt n ASP 9 Ca 0.00 0.57 0.05 0.00 0.71 0.00 0.00 54.79 56.13 2oqt n ASP 9 Cb 0.00 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 40.84 2oqt n ASP 9 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2oqt n ASN 10 N -2.92 1.16 -4.03 -2.24 3.02 -0.70 -4.99 115.26 104.56 2oqt n ASN 10 Ca 0.23 -1.08 -0.35 0.00 -0.03 0.00 0.00 54.58 53.35 2oqt n ASN 10 Cb 1.17 0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 40.88 2oqt n ASN 10 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2oqt n ASN 11 N -0.41 -2.12 -0.77 6.41 2.85 0.27 -4.67 115.26 116.82 2oqt n ASN 11 Ca 0.04 -1.17 0.06 0.00 -0.11 0.00 0.00 54.58 53.40 2oqt n ASN 11 Cb 0.23 -2.32 0.22 0.00 1.24 0.00 0.00 39.78 39.15 2oqt n ASN 11 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2oqt n SER 12 N -2.65 3.20 -4.75 1.20 3.41 -0.52 -4.92 113.62 108.59 2oqt n SER 12 Ca -0.21 -3.22 -0.36 0.00 -0.26 0.00 0.00 58.87 54.81 2oqt n SER 12 Cb 0.63 -0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 2oqt n SER 12 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2oqt s ILE 13 N -2.95 5.31 -0.14 -1.33 1.01 -1.26 -1.14 121.20 120.71 2oqt s ILE 13 Ca 0.41 0.49 -0.03 0.00 0.00 0.00 0.00 60.65 61.52 2oqt s ILE 13 Cb 0.34 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 39.27 2oqt s ILE 13 CO 0.05 0.44 0.04 -0.13 0.00 0.00 0.00 174.94 175.34 2oqt s ARG 14 N 0.15 0.43 -0.02 2.79 1.81 -0.93 -4.92 118.95 118.26 2oqt s ARG 14 Ca 0.16 -0.11 -0.02 0.00 -1.72 0.00 0.00 55.73 54.04 2oqt s ARG 14 Cb -0.13 -1.57 -0.04 0.00 -0.45 0.00 0.00 34.95 32.77 2oqt s ARG 14 CO 0.04 -0.52 0.11 -0.51 -0.68 0.00 0.00 175.30 173.74 2oqt s LEU 15 N 1.99 4.07 -0.53 2.53 1.43 -1.26 -1.48 118.68 125.42 2oqt s LEU 15 Ca 0.02 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2oqt s LEU 15 Cb -0.15 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.72 2oqt s LEU 15 CO -0.07 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.40 2oqt n GLY 16 N 1.20 0.13 3.75 -3.19 0.00 -0.94 -4.92 105.19 101.21 2oqt n GLY 16 Ca -0.13 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2oqt n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oqt s LEU 17 N -1.77 2.49 -0.03 0.99 1.43 -0.08 -4.53 118.68 117.19 2oqt s LEU 17 Ca 0.00 1.51 0.06 0.00 -1.03 0.00 0.00 54.13 54.66 2oqt s LEU 17 Cb 0.00 -4.03 -0.01 0.00 0.03 0.00 0.00 46.19 42.18 2oqt s LEU 17 CO 0.00 -2.35 -0.20 -0.55 0.23 0.00 0.00 176.35 173.48 2oqt s SER 18 N -3.53 2.39 -0.17 2.29 0.15 -1.26 0.24 113.70 113.81 2oqt s SER 18 Ca 0.62 -0.38 -0.20 0.00 0.70 0.00 0.00 55.95 56.70 2oqt s SER 18 Cb -0.17 -0.45 0.05 0.00 -1.71 0.00 0.00 66.02 63.74 2oqt s SER 18 CO 0.56 0.22 0.53 0.00 1.20 0.00 0.00 173.24 175.75 2oqt s ALA 19 N -0.27 -1.32 -0.25 5.45 0.00 -1.26 -4.94 121.76 119.17 2oqt s ALA 19 Ca 0.02 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.21 2oqt s ALA 19 Cb -0.10 -0.70 -0.10 0.00 0.00 0.00 0.00 23.12 22.22 2oqt s ALA 19 CO 0.01 -0.27 -0.34 -0.25 0.00 0.00 0.00 175.76 174.91 2oqt n ASP 20 N 2.44 1.95 -4.93 0.00 10.43 -1.26 -4.81 116.55 120.37 2oqt n ASP 20 Ca -0.15 0.34 -0.26 0.00 2.57 0.00 0.00 54.79 57.30 2oqt n ASP 20 Cb 0.56 -0.80 0.02 0.00 1.84 0.00 0.00 41.12 42.75 2oqt n ASP 20 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2oqt s THR 21 N -2.63 3.82 0.18 -3.53 -4.23 -1.26 -4.62 115.64 103.38 2oqt s THR 21 Ca -0.35 -0.13 0.12 0.00 -1.18 0.00 0.00 61.69 60.14 2oqt s THR 21 Cb 0.11 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 2oqt s THR 21 CO 0.47 -0.45 1.55 4.11 -0.54 0.00 0.00 174.62 179.76 2oqt h TRP 22 N 0.01 0.00 -0.18 3.99 5.08 -1.96 -3.06 115.95 119.83 2oqt h TRP 22 Ca -0.46 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.51 2oqt h TRP 22 Cb 1.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.40 2oqt h TRP 22 CO 0.47 0.64 0.09 1.96 -1.28 0.00 0.00 178.44 180.33 2oqt h GLN 23 N 0.00 0.26 -0.47 0.12 7.50 -1.93 -1.53 115.11 119.06 2oqt h GLN 23 Ca -0.01 -0.04 0.05 0.00 0.50 0.00 0.00 58.65 59.16 2oqt h GLN 23 Cb 1.23 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 28.66 2oqt h GLN 23 CO 0.08 0.29 0.21 0.93 -1.50 0.00 0.00 178.83 178.84 2oqt h GLU 24 N 0.17 0.40 -0.21 1.46 4.39 -1.94 -0.35 114.58 118.50 2oqt h GLU 24 Ca 0.06 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.79 2oqt h GLU 24 Cb 0.11 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 2oqt h GLU 24 CO -0.01 0.26 -0.09 0.00 -1.16 0.00 0.00 179.01 178.01 2oqt h ALA 25 N 1.28 0.08 -0.34 3.43 0.00 -1.37 0.31 119.26 122.66 2oqt h ALA 25 Ca 0.22 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2oqt h ALA 25 Cb 0.17 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2oqt h ALA 25 CO -0.18 -0.52 0.04 0.28 0.00 0.00 0.00 179.25 178.87 2oqt h VAL 26 N -0.07 0.79 -0.19 0.00 2.07 -0.86 1.86 116.25 119.85 2oqt h VAL 26 Ca 0.11 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2oqt h VAL 26 Cb 0.23 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2oqt h VAL 26 CO -0.25 0.03 -0.08 -0.09 0.02 0.00 0.00 177.57 177.20 2oqt h ARG 27 N 0.14 -0.04 -0.60 1.57 9.65 -0.38 0.30 114.38 125.02 2oqt h ARG 27 Ca 0.16 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.99 2oqt h ARG 27 Cb 0.20 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 2oqt h ARG 27 CO -0.24 -0.03 0.15 -0.07 2.80 0.00 0.00 179.97 182.58 2oqt h LEU 28 N -0.04 0.90 -1.35 3.80 3.38 0.34 0.39 115.31 122.73 2oqt h LEU 28 Ca 0.10 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 57.95 2oqt h LEU 28 Cb 0.20 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2oqt h LEU 28 CO -0.23 0.90 0.53 0.00 0.09 0.00 0.00 178.44 179.73 2oqt h ALA 29 N 1.04 1.81 0.00 1.53 0.00 0.33 -3.09 119.26 120.88 2oqt h ALA 29 Ca 0.19 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 2oqt h ALA 29 Cb 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2oqt h ALA 29 CO 0.00 0.00 -1.49 0.28 0.00 0.00 0.00 179.25 178.05 2oqt h VAL 30 N 0.69 1.05 -0.81 0.00 2.07 -0.52 -3.38 116.25 115.35 2oqt h VAL 30 Ca 0.39 -2.84 0.20 0.00 0.82 0.00 0.00 66.70 65.26 2oqt h VAL 30 Cb 0.55 2.51 -0.14 0.00 -1.52 0.00 0.00 31.29 32.69 2oqt h VAL 30 CO -0.15 0.60 0.08 -0.61 0.02 0.00 0.00 177.57 177.51 2oqt h GLN 31 N 0.00 0.13 -0.07 1.57 5.75 -0.84 0.46 115.11 122.11 2oqt h GLN 31 Ca -0.20 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.31 2oqt h GLN 31 Cb 1.92 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 30.43 2oqt h GLN 31 CO 0.09 0.09 0.09 -1.35 -2.65 0.00 0.00 178.83 175.10 2oqt h PRO 32 N 0.14 0.00 0.00 -2.39 0.11 -1.75 -1.24 132.00 126.87 2oqt h PRO 32 Ca 0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.52 2oqt h PRO 32 Cb 0.87 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2oqt h PRO 32 CO -0.67 0.00 -0.93 -0.07 -0.21 0.00 0.00 178.00 176.11 2oqt h LEU 33 N 0.00 0.00 -0.37 2.35 4.07 -1.19 -2.37 115.31 117.79 2oqt h LEU 33 Ca 0.03 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.84 2oqt h LEU 33 Cb 0.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2oqt h LEU 33 CO -0.00 0.21 -0.37 0.40 -1.08 0.00 0.00 178.44 177.59 2oqt h ILE 34 N 0.00 1.27 0.00 1.22 2.04 -0.97 -0.39 117.51 120.68 2oqt h ILE 34 Ca -0.05 -1.55 -0.12 0.00 1.00 0.00 0.00 64.86 64.15 2oqt h ILE 34 Cb 1.20 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 2oqt h ILE 34 CO 0.02 0.52 -0.58 0.44 0.00 0.00 0.00 178.15 178.55 2oqt h ASP 35 N 0.73 0.00 0.08 1.72 3.32 -1.22 0.47 116.42 121.52 2oqt h ASP 35 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2oqt h ASP 35 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2oqt h ASP 35 CO 0.09 0.58 0.00 -1.54 -1.72 0.00 0.00 179.24 176.65 2oqt n SER 36 N -3.65 0.00 -1.11 6.45 3.41 -0.90 -4.88 113.62 112.94 2oqt n SER 36 Ca -0.01 -0.80 -0.03 0.00 -0.26 0.00 0.00 58.87 57.77 2oqt n SER 36 Cb 0.62 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 2oqt n SER 36 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2oqt n LYS 37 N -1.04 -1.09 -0.31 4.33 2.85 0.15 -4.86 118.16 118.19 2oqt n LYS 37 Ca 0.21 0.21 0.21 0.00 -1.05 0.00 0.00 58.31 57.88 2oqt n LYS 37 Cb 0.12 -4.27 0.48 0.00 -0.65 0.00 0.00 35.03 30.71 2oqt n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2oqt h ALA 38 N 1.66 2.15 -2.40 0.58 0.00 -1.40 -3.43 119.26 116.42 2oqt h ALA 38 Ca -0.07 0.06 -0.39 0.00 0.00 0.00 0.00 54.91 54.51 2oqt h ALA 38 Cb 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.89 2oqt h ALA 38 CO 0.10 -0.53 -0.57 0.14 0.00 0.00 0.00 179.25 178.39 2oqt s VAL 39 N -5.53 0.32 0.42 0.00 -7.23 -0.30 -2.27 120.40 105.81 2oqt s VAL 39 Ca -0.09 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 2oqt s VAL 39 Cb 0.25 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2oqt s VAL 39 CO 0.80 0.00 0.25 -0.89 -0.31 0.00 0.00 175.10 174.94 2oqt s THR 40 N -3.68 2.35 0.00 5.32 2.01 -0.42 -4.13 115.64 117.09 2oqt s THR 40 Ca 0.36 -1.58 0.23 0.00 0.31 0.00 0.00 61.69 61.01 2oqt s THR 40 Cb 0.06 -2.94 0.23 0.00 0.01 0.00 0.00 72.50 69.86 2oqt s THR 40 CO 0.17 0.00 1.69 0.77 -0.69 0.00 0.00 174.62 176.56 2oqt h SER 41 N 1.27 0.00 -0.31 3.53 4.64 -1.97 -1.76 113.55 118.95 2oqt h SER 41 Ca -0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 2oqt h SER 41 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2oqt h SER 41 CO 0.66 0.00 0.12 0.00 -0.87 0.00 0.00 176.83 176.73 2oqt h ALA 42 N 1.80 0.41 -0.53 5.18 0.00 -1.89 -1.87 119.26 122.36 2oqt h ALA 42 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2oqt h ALA 42 Cb 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2oqt h ALA 42 CO 0.00 0.02 0.20 -0.92 0.00 0.00 0.00 179.25 178.54 2oqt h TYR 43 N 0.35 0.34 -0.62 0.00 3.20 -1.31 0.34 116.97 119.27 2oqt h TYR 43 Ca 0.10 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.13 2oqt h TYR 43 Cb 0.20 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.30 2oqt h TYR 43 CO -0.00 0.11 0.04 -0.92 -1.64 0.00 0.00 178.16 175.75 2oqt h TYR 44 N 0.38 0.04 0.33 -3.82 3.20 -1.57 0.79 116.97 116.32 2oqt h TYR 44 Ca 0.26 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 2oqt h TYR 44 Cb 0.28 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2oqt h TYR 44 CO -0.16 -0.13 -0.16 -0.44 -1.64 0.00 0.00 178.16 175.63 2oqt h ASP 45 N 0.16 -0.37 -0.81 -2.11 3.45 -0.21 0.11 116.42 116.64 2oqt h ASP 45 Ca 0.33 -0.10 0.14 0.00 0.43 0.00 0.00 57.03 57.84 2oqt h ASP 45 Cb 0.53 0.10 -0.15 0.00 -0.56 0.00 0.00 39.33 39.25 2oqt h ASP 45 CO -0.50 -0.12 -0.30 0.00 -1.57 0.00 0.00 179.24 176.75 2oqt h ALA 46 N -0.01 0.26 -0.46 3.45 0.00 -0.22 0.80 119.26 123.08 2oqt h ALA 46 Ca -0.04 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2oqt h ALA 46 Cb 0.45 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2oqt h ALA 46 CO 0.07 -0.55 0.26 0.82 0.00 0.00 0.00 179.25 179.86 2oqt h ILE 47 N -0.05 1.16 -0.37 0.00 2.04 -0.45 -0.03 117.51 119.82 2oqt h ILE 47 Ca 0.34 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2oqt h ILE 47 Cb 0.59 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2oqt h ILE 47 CO -0.85 0.17 0.22 0.40 0.00 0.00 0.00 178.15 178.09 2oqt h ILE 48 N 0.61 1.12 -0.26 -0.67 1.08 0.66 -1.59 117.51 118.46 2oqt h ILE 48 Ca 0.16 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.40 2oqt h ILE 48 Cb 0.04 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 2oqt h ILE 48 CO -0.03 0.12 0.06 0.00 -0.69 0.00 0.00 178.15 177.61 2oqt h ALA 49 N 1.10 0.27 0.00 1.87 0.00 0.85 -2.64 119.26 120.70 2oqt h ALA 49 Ca 0.13 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2oqt h ALA 49 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2oqt h ALA 49 CO -0.02 -0.36 -0.19 0.77 0.00 0.00 0.00 179.25 179.44 2oqt h SER 50 N 0.16 0.00 -0.13 0.00 0.02 -0.88 -0.33 113.55 112.39 2oqt h SER 50 Ca 0.12 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.87 2oqt h SER 50 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2oqt h SER 50 CO -0.15 0.19 -0.66 0.74 -1.14 0.00 0.00 176.83 175.81 2oqt h THR 51 N 0.00 1.29 0.05 -2.27 2.02 -0.91 0.47 112.91 113.56 2oqt h THR 51 Ca -0.00 -1.88 -0.18 0.00 0.77 0.00 0.00 66.41 65.12 2oqt h THR 51 Cb 0.66 1.84 0.02 0.00 -1.74 0.00 0.00 68.15 68.93 2oqt h THR 51 CO 0.02 0.60 -0.75 -0.33 0.37 0.00 0.00 175.52 175.43 2oqt h GLU 52 N 0.54 0.42 -0.40 6.66 5.08 -1.49 0.76 114.58 126.16 2oqt h GLU 52 Ca -0.02 -0.52 0.08 0.00 -1.00 0.00 0.00 59.36 57.91 2oqt h GLU 52 Cb 1.26 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.59 2oqt h GLU 52 CO 0.13 1.18 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.86 2oqt h LYS 53 N -0.11 -0.17 0.00 2.33 1.63 -1.08 -3.36 116.57 115.80 2oqt h LYS 53 Ca -0.11 0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.48 2oqt h LYS 53 Cb 1.49 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 33.11 2oqt h LYS 53 CO 0.15 -0.11 -1.93 0.66 -3.45 0.00 0.00 179.45 174.76 2oqt n TYR 54 N -5.40 0.00 0.00 1.91 4.01 0.16 -5.06 117.16 112.79 2oqt n TYR 54 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2oqt n TYR 54 Cb 0.31 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 2oqt n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2oqt n GLY 55 N 2.06 1.11 2.69 2.72 0.00 0.27 -4.75 105.19 109.28 2oqt n GLY 55 Ca -0.20 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 2oqt n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oqt n PRO 56 N 0.27 2.18 0.24 1.61 -0.04 -1.26 -4.56 135.00 133.44 2oqt n PRO 56 Ca 0.00 -1.68 0.13 0.00 -0.04 0.00 0.00 63.50 61.90 2oqt n PRO 56 Cb 0.00 -2.64 0.54 0.00 -0.04 0.00 0.00 33.50 31.36 2oqt n PRO 56 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 2oqt h TYR 57 N 6.49 0.00 -0.57 0.54 -0.00 -1.90 -2.07 116.97 119.45 2oqt h TYR 57 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.25 2oqt h TYR 57 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.04 2oqt h TYR 57 CO 1.77 0.13 0.00 2.48 -0.00 0.00 0.00 178.16 182.54 2oqt n TYR 58 N -3.28 1.13 -3.23 0.10 4.11 -1.26 -4.36 117.16 110.37 2oqt n TYR 58 Ca 0.00 -0.59 -0.45 0.00 -0.00 0.00 0.00 57.90 56.86 2oqt n TYR 58 Cb 0.38 -0.16 -0.00 0.00 -0.00 0.00 0.00 39.34 39.57 2oqt n TYR 58 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2oqt s VAL 59 N -1.59 5.71 -0.40 -3.48 1.01 -0.78 -4.54 120.40 116.33 2oqt s VAL 59 Ca 0.45 -3.14 0.05 0.00 0.00 0.00 0.00 61.98 59.34 2oqt s VAL 59 Cb 0.27 -4.68 0.57 0.00 0.00 0.00 0.00 36.38 32.54 2oqt s VAL 59 CO 0.23 -1.30 1.70 0.00 0.00 0.00 0.00 175.10 175.73 2oqt n LEU 60 N 3.62 5.64 -4.28 3.92 -0.00 -1.26 -5.04 117.00 119.60 2oqt n LEU 60 Ca 0.27 -3.83 -0.33 0.00 -0.00 0.00 0.00 56.01 52.12 2oqt n LEU 60 Cb 0.41 -0.74 -0.16 0.00 -0.00 0.00 0.00 43.42 42.93 2oqt n LEU 60 CO 0.50 1.25 -0.50 -2.16 -0.00 0.00 0.00 177.39 176.48 2oqt s PRO 62 N -3.36 3.20 0.00 1.47 0.04 -1.26 -5.19 135.00 129.90 2oqt s PRO 62 Ca 0.52 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.78 2oqt s PRO 62 Cb 0.45 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2oqt s PRO 62 CO 0.04 0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2oqt n GLY 63 N 3.63 1.38 0.00 0.56 0.00 -1.13 -4.99 105.19 104.63 2oqt n GLY 63 Ca -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2oqt n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqt n ALA 65 N -1.05 0.00 -3.64 4.61 0.00 0.56 -1.87 120.51 119.13 2oqt n ALA 65 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2oqt n ALA 65 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 2oqt n ALA 65 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2oqt s PRO 67 N 0.99 0.44 0.29 0.00 0.02 -1.24 -0.10 135.00 135.40 2oqt s PRO 67 Ca 0.00 0.75 -0.18 0.00 0.02 0.00 0.00 61.00 61.59 2oqt s PRO 67 Cb 0.00 0.10 0.02 0.00 0.02 0.00 0.00 34.50 34.64 2oqt s PRO 67 CO 0.00 -0.09 0.68 -3.38 -0.33 0.00 0.00 177.00 173.88 2oqt s HIS 68 N 1.31 -0.00 0.13 6.54 -3.43 -1.26 -2.67 115.29 115.91 2oqt s HIS 68 Ca -0.08 -0.47 -0.02 0.00 -0.80 0.00 0.00 55.06 53.69 2oqt s HIS 68 Cb -0.04 0.61 0.01 0.00 -1.43 0.00 0.00 32.58 31.72 2oqt s HIS 68 CO -0.15 -1.24 0.21 0.00 -2.00 0.00 0.00 174.74 171.56 2oqt n ALA 69 N -0.46 -0.27 0.00 -1.38 0.00 -1.26 -4.72 120.51 112.42 2oqt n ALA 69 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2oqt n ALA 69 Cb 0.60 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.50 2oqt n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2oqt n GLU 70 N -0.21 0.00 -1.54 0.00 1.02 -1.26 -4.66 120.64 113.99 2oqt n GLU 70 Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 2oqt n GLU 70 Cb 0.22 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.53 2oqt n GLU 70 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2oqt n ALA 71 N 0.00 0.25 0.00 0.62 0.00 -1.26 -0.07 120.51 120.05 2oqt n ALA 71 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.49 2oqt n ALA 71 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.30 2oqt n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqt n GLY 72 N 6.19 0.90 3.41 0.00 0.00 -1.16 -3.63 105.19 110.89 2oqt n GLY 72 Ca 0.40 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.98 2oqt n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oqt s LEU 73 N 0.00 5.66 0.00 0.99 2.96 0.90 -4.16 118.68 125.03 2oqt s LEU 73 Ca 0.00 -3.17 0.00 0.00 -0.22 0.00 0.00 54.13 50.74 2oqt s LEU 73 Cb 0.00 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.38 2oqt s LEU 73 CO 0.00 -0.57 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 2oqt n GLY 74 N 3.61 1.26 3.80 7.98 0.00 -1.26 -3.34 105.19 117.24 2oqt n GLY 74 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 2oqt n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oqt s VAL 75 N -2.09 4.23 0.00 1.61 1.01 -1.26 -1.30 120.40 122.60 2oqt s VAL 75 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2oqt s VAL 75 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2oqt s VAL 75 CO 0.00 -0.10 0.01 -0.46 0.00 0.00 0.00 175.10 174.55 2oqt n ASN 76 N -0.11 0.01 -3.68 3.32 0.23 -0.96 -4.79 115.26 109.27 2oqt n ASN 76 Ca 0.05 -0.89 -0.13 0.00 -0.53 0.00 0.00 54.58 53.08 2oqt n ASN 76 Cb 0.52 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 2oqt n ASN 76 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2oqt s ARG 77 N -0.00 0.89 -0.11 -3.83 3.52 -0.98 -5.03 118.95 113.41 2oqt s ARG 77 Ca 0.00 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 54.93 2oqt s ARG 77 Cb 0.00 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.77 2oqt s ARG 77 CO 0.00 -0.30 1.09 -0.80 -0.81 0.00 0.00 175.30 174.48 2oqt s ASN 78 N -1.97 7.15 0.12 -2.12 0.02 -1.26 -4.35 114.94 112.53 2oqt s ASN 78 Ca -0.06 1.62 -0.18 0.00 -1.02 0.00 0.00 52.86 53.22 2oqt s ASN 78 Cb -0.01 -2.55 0.04 0.00 0.02 0.00 0.00 41.25 38.75 2oqt s ASN 78 CO -0.02 -0.53 0.45 0.00 0.02 0.00 0.00 177.10 177.02 2oqt s ALA 79 N 2.29 -1.11 -0.00 0.60 0.00 0.14 -4.98 121.76 118.70 2oqt s ALA 79 Ca 0.51 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.66 2oqt s ALA 79 Cb -0.20 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2oqt s ALA 79 CO 0.18 -0.65 -0.19 -0.06 0.00 0.00 0.00 175.76 175.04 2oqt s PHE 80 N -3.61 1.71 0.16 0.00 0.08 -1.26 0.34 117.98 115.40 2oqt s PHE 80 Ca 0.01 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.80 2oqt s PHE 80 Cb 0.01 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.34 2oqt s PHE 80 CO -0.11 -0.00 -0.14 0.00 -0.10 0.00 0.00 175.22 174.86 2oqt s ALA 81 N -0.52 1.78 -0.06 5.36 0.00 0.20 -4.24 121.76 124.27 2oqt s ALA 81 Ca 0.07 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 2oqt s ALA 81 Cb -0.08 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.00 2oqt s ALA 81 CO -0.00 0.08 0.12 -1.17 0.00 0.00 0.00 175.76 174.79 2oqt s LEU 82 N -2.93 0.58 0.15 0.00 2.96 -0.29 -0.92 118.68 118.22 2oqt s LEU 82 Ca 0.16 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 2oqt s LEU 82 Cb -0.02 0.24 -0.04 0.00 0.50 0.00 0.00 46.19 46.87 2oqt s LEU 82 CO 0.05 -0.17 -0.18 0.27 -1.32 0.00 0.00 176.35 175.00 2oqt s ILE 83 N 1.45 1.72 -0.04 6.68 -4.36 0.86 -2.19 121.20 125.32 2oqt s ILE 83 Ca -0.06 -1.84 0.06 0.00 -0.26 0.00 0.00 60.65 58.55 2oqt s ILE 83 Cb -0.12 -1.76 -0.01 0.00 1.25 0.00 0.00 42.46 41.82 2oqt s ILE 83 CO -0.05 -0.31 -0.22 -0.89 0.24 0.00 0.00 174.94 173.71 2oqt s THR 84 N -1.97 1.81 0.26 8.37 2.01 -0.55 -1.32 115.64 124.25 2oqt s THR 84 Ca 0.13 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.25 2oqt s THR 84 Cb -0.06 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2oqt s THR 84 CO 0.06 0.51 0.27 -0.76 -0.69 0.00 0.00 174.62 174.01 2oqt s LEU 85 N -0.27 3.94 -0.31 4.42 1.43 -0.11 -0.90 118.68 126.87 2oqt s LEU 85 Ca 0.01 -0.19 0.10 0.00 -1.03 0.00 0.00 54.13 53.03 2oqt s LEU 85 Cb -0.11 -2.50 0.75 0.00 0.03 0.00 0.00 46.19 44.35 2oqt s LEU 85 CO 0.01 -0.11 1.79 1.07 0.23 0.00 0.00 176.35 179.35 2oqt n THR 86 N -1.30 2.89 0.00 5.49 5.66 0.14 -4.68 114.28 122.47 2oqt n THR 86 Ca -0.07 -1.57 0.00 0.00 -3.05 0.00 0.00 64.05 59.37 2oqt n THR 86 Cb 0.58 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 2oqt n THR 86 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2oqt n LYS 87 N -0.05 0.00 -0.57 1.09 2.85 -1.26 -5.06 118.16 115.16 2oqt n LYS 87 Ca 0.39 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.36 2oqt n LYS 87 Cb 1.36 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 35.96 2oqt n LYS 87 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2oqt n PRO 88 N 0.00 -1.66 -4.46 -1.58 -0.04 -1.26 -4.76 135.00 121.24 2oqt n PRO 88 Ca 0.00 -0.44 -0.23 0.00 -0.04 0.00 0.00 63.50 62.79 2oqt n PRO 88 Cb 0.00 -2.17 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 2oqt n PRO 88 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2oqt s VAL 89 N -2.46 2.22 -0.20 0.52 1.01 -0.16 -4.89 120.40 116.44 2oqt s VAL 89 Ca 0.66 -2.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.33 2oqt s VAL 89 Cb -0.23 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2oqt s VAL 89 CO 0.63 -0.39 -0.14 -0.89 0.00 0.00 0.00 175.10 174.31 2oqt s THR 90 N -2.66 2.44 0.59 3.92 2.01 -1.26 -0.47 115.64 120.21 2oqt s THR 90 Ca 0.29 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 2oqt s THR 90 Cb -0.02 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 2oqt s THR 90 CO 0.14 0.43 0.97 -0.36 -0.69 0.00 0.00 174.62 175.10 2oqt s PHE 91 N 1.32 3.59 -1.71 4.92 0.08 -0.51 -4.32 117.98 121.35 2oqt s PHE 91 Ca 0.03 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.23 2oqt s PHE 91 Cb -0.14 -2.64 0.00 0.00 -0.57 0.00 0.00 43.02 39.67 2oqt s PHE 91 CO -0.09 -0.62 0.15 -1.13 -0.10 0.00 0.00 175.22 173.43 2oqt n SER 92 N -2.64 0.00 -0.15 1.36 3.41 -1.26 -0.53 113.62 113.80 2oqt n SER 92 Ca 0.05 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.67 2oqt n SER 92 Cb 0.55 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 2oqt n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2oqt n ASP 93 N -0.60 1.53 0.00 4.04 5.75 -1.26 -5.00 116.55 121.00 2oqt n ASP 93 Ca 0.00 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 2oqt n ASP 93 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 2oqt n ASP 93 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2oqt n GLY 94 N 0.10 0.77 3.72 6.12 0.00 0.31 -5.07 105.19 111.14 2oqt n GLY 94 Ca 0.02 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2oqt n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqt s LYS 95 N -0.71 4.30 0.08 1.61 1.02 -1.25 -4.91 119.74 119.88 2oqt s LYS 95 Ca 0.00 0.28 -0.26 0.00 0.02 0.00 0.00 55.97 56.01 2oqt s LYS 95 Cb 0.00 -3.43 -0.06 0.00 -0.52 0.00 0.00 37.83 33.82 2oqt s LYS 95 CO 0.00 0.20 0.81 -1.21 -0.92 0.00 0.00 175.35 174.22 2oqt s GLU 96 N 0.55 4.55 -0.11 1.68 0.41 -1.25 -1.42 118.70 123.11 2oqt s GLU 96 Ca 0.21 1.16 0.01 0.00 -0.41 0.00 0.00 54.97 55.94 2oqt s GLU 96 Cb -0.14 -3.35 0.02 0.00 -1.78 0.00 0.00 34.13 28.88 2oqt s GLU 96 CO 0.07 0.31 -0.11 0.08 -0.49 0.00 0.00 175.26 175.13 2oqt s VAL 97 N -0.22 1.22 -0.14 2.63 1.01 0.38 -2.85 120.40 122.42 2oqt s VAL 97 Ca 0.40 -0.44 0.16 0.00 0.00 0.00 0.00 61.98 62.09 2oqt s VAL 97 Cb -0.21 -1.17 -0.23 0.00 0.00 0.00 0.00 36.38 34.77 2oqt s VAL 97 CO 0.25 0.39 0.40 -1.20 0.00 0.00 0.00 175.10 174.94 2oqt n SER 98 N 4.54 1.31 -4.08 3.32 7.64 -0.78 -0.99 113.62 124.58 2oqt n SER 98 Ca -0.17 -0.15 -0.27 0.00 1.01 0.00 0.00 58.87 59.29 2oqt n SER 98 Cb 0.51 1.59 -0.17 0.00 -1.01 0.00 0.00 64.21 65.12 2oqt n SER 98 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2oqt s VAL 99 N -2.97 1.40 -0.15 0.44 1.01 -0.96 -0.93 120.40 118.23 2oqt s VAL 99 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2oqt s VAL 99 Cb 0.10 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2oqt s VAL 99 CO 0.64 0.41 -0.10 -0.76 0.00 0.00 0.00 175.10 175.30 2oqt s LEU 100 N 0.61 1.65 -0.52 3.92 1.02 -0.44 -0.32 118.68 124.60 2oqt s LEU 100 Ca -0.15 -0.56 -0.00 0.00 0.02 0.00 0.00 54.13 53.44 2oqt s LEU 100 Cb -0.16 -1.04 0.13 0.00 0.02 0.00 0.00 46.19 45.14 2oqt s LEU 100 CO 0.05 -0.12 0.29 -0.22 0.02 0.00 0.00 176.35 176.37 2oqt s LEU 101 N 1.56 4.95 0.12 1.79 0.20 0.86 -0.10 118.68 128.07 2oqt s LEU 101 Ca 0.03 -2.63 -0.31 0.00 0.69 0.00 0.00 54.13 51.91 2oqt s LEU 101 Cb -0.14 -1.77 -0.08 0.00 -0.43 0.00 0.00 46.19 43.78 2oqt s LEU 101 CO -0.09 -0.37 1.34 -0.89 -0.29 0.00 0.00 176.35 176.05 2oqt s THR 102 N 0.26 3.40 -0.08 3.68 2.01 -0.10 -3.74 115.64 121.07 2oqt s THR 102 Ca 0.14 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.18 2oqt s THR 102 Cb -0.22 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2oqt s THR 102 CO -0.03 0.10 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.71 2oqt s LEU 103 N 0.83 3.17 -0.05 4.42 0.20 -1.09 -0.63 118.68 125.53 2oqt s LEU 103 Ca 0.62 -0.05 -0.02 0.00 0.69 0.00 0.00 54.13 55.37 2oqt s LEU 103 Cb -0.36 -1.70 0.03 0.00 -0.43 0.00 0.00 46.19 43.74 2oqt s LEU 103 CO 0.32 0.33 0.08 0.00 -0.29 0.00 0.00 176.35 176.79 2oqt s ALA 104 N -0.61 0.10 -0.03 5.97 0.00 0.15 -4.48 121.76 122.86 2oqt s ALA 104 Ca 0.09 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2oqt s ALA 104 Cb -0.12 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.44 2oqt s ALA 104 CO 0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 175.76 175.34 2oqt s ALA 105 N 1.96 0.44 -1.18 0.00 0.00 -1.26 0.28 121.76 121.99 2oqt s ALA 105 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2oqt s ALA 105 Cb -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.66 2oqt s ALA 105 CO -0.04 -0.04 0.32 0.25 0.00 0.00 0.00 175.76 176.26 2oqt n THR 106 N 4.06 0.00 -3.51 0.00 -2.24 -1.26 -3.01 114.28 108.32 2oqt n THR 106 Ca -0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2oqt n THR 106 Cb 0.51 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 2oqt n THR 106 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2oqt s ASP 107 N -0.64 -0.42 0.43 3.42 2.15 -1.24 -4.80 116.67 115.58 2oqt s ASP 107 Ca 0.00 0.63 0.26 0.00 0.43 0.00 0.00 52.55 53.87 2oqt s ASP 107 Cb 0.00 1.33 0.73 0.00 -0.30 0.00 0.00 42.92 44.67 2oqt s ASP 107 CO 0.00 -0.09 1.74 1.55 -0.17 0.00 0.00 175.17 178.20 2oqt h PRO 108 N 6.53 0.00 -0.76 4.34 0.14 -1.82 -2.55 132.00 137.87 2oqt h PRO 108 Ca -0.22 0.00 0.13 0.00 0.14 0.00 0.00 66.00 66.05 2oqt h PRO 108 Cb 1.15 0.00 -0.05 0.00 0.14 0.00 0.00 31.00 32.24 2oqt h PRO 108 CO 0.15 0.00 0.50 0.66 0.14 0.00 0.00 178.00 179.45 2oqt h SER 109 N 0.00 0.47 -0.60 1.44 4.64 -1.98 -2.87 113.55 114.65 2oqt h SER 109 Ca 0.00 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2oqt h SER 109 Cb 0.79 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 2oqt h SER 109 CO 0.00 0.26 0.19 0.40 -0.87 0.00 0.00 176.83 176.81 2oqt h ILE 110 N 0.51 1.24 -0.77 0.95 2.04 -1.88 -3.18 117.51 116.42 2oqt h ILE 110 Ca 0.37 -0.83 0.16 0.00 1.00 0.00 0.00 64.86 65.55 2oqt h ILE 110 Cb 0.71 0.55 -0.15 0.00 -0.74 0.00 0.00 36.82 37.19 2oqt h ILE 110 CO -0.13 0.32 -0.18 0.45 0.00 0.00 0.00 178.15 178.61 2oqt h HIS 111 N 0.94 -0.39 0.04 1.37 3.86 -1.66 -0.03 115.15 119.28 2oqt h HIS 111 Ca 0.21 0.07 -0.29 0.00 -1.16 0.00 0.00 60.37 59.20 2oqt h HIS 111 Cb 0.28 0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 2oqt h HIS 111 CO 0.02 -0.33 -1.56 0.00 0.86 0.00 0.00 177.93 176.92 2oqt h THR 112 N 0.01 1.06 0.06 2.45 1.03 -1.74 0.61 112.91 116.38 2oqt h THR 112 Ca 0.37 -2.83 -0.33 0.00 -0.01 0.00 0.00 66.41 63.62 2oqt h THR 112 Cb 0.58 2.58 -0.04 0.00 -1.07 0.00 0.00 68.15 70.20 2oqt h THR 112 CO -0.79 0.69 -1.86 0.35 -0.01 0.00 0.00 175.52 173.90 2oqt n THR 113 N -3.23 1.69 0.02 0.00 -2.24 -0.99 -4.51 114.28 105.03 2oqt n THR 113 Ca -0.15 -0.73 -0.01 0.00 -2.27 0.00 0.00 64.05 60.89 2oqt n THR 113 Cb 1.03 -1.36 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2oqt n THR 113 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2oqt n VAL 114 N -3.25 0.95 0.07 2.28 0.31 -0.08 -4.86 118.33 113.76 2oqt n VAL 114 Ca -0.24 0.29 -0.03 0.00 -0.01 0.00 0.00 64.34 64.35 2oqt n VAL 114 Cb 1.05 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 2oqt n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oqt h ALA 115 N -0.20 -0.92 -0.56 3.52 0.00 -1.40 -3.32 119.26 116.39 2oqt h ALA 115 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2oqt h ALA 115 Cb 0.12 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 2oqt h ALA 115 CO 0.00 -0.91 0.10 0.82 0.00 0.00 0.00 179.25 179.26 2oqt h ILE 116 N -0.21 0.66 -0.68 0.00 2.04 0.01 -2.01 117.51 117.32 2oqt h ILE 116 Ca -0.02 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2oqt h ILE 116 Cb 0.17 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2oqt h ILE 116 CO 0.01 0.04 0.45 -0.65 0.00 0.00 0.00 178.15 178.00 2oqt h PRO 117 N 0.24 0.89 -0.17 2.37 0.11 -1.79 0.11 132.00 133.75 2oqt h PRO 117 Ca 0.29 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.31 2oqt h PRO 117 Cb 0.41 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2oqt h PRO 117 CO -0.38 0.59 -0.05 1.96 -0.21 0.00 0.00 178.00 179.90 2oqt h GLN 118 N 0.91 0.25 -0.02 1.05 4.20 -1.46 -0.04 115.11 120.01 2oqt h GLN 118 Ca 0.25 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 2oqt h GLN 118 Cb -0.10 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2oqt h GLN 118 CO -0.06 0.33 -0.14 0.82 -0.67 0.00 0.00 178.83 179.11 2oqt h ILE 119 N 0.25 1.51 -0.46 2.54 2.04 -1.22 -2.74 117.51 119.43 2oqt h ILE 119 Ca 0.06 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.22 2oqt h ILE 119 Cb 0.26 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 2oqt h ILE 119 CO 0.01 0.46 0.29 0.58 0.00 0.00 0.00 178.15 179.49 2oqt h VAL 120 N -0.48 1.13 -0.89 1.67 2.07 -0.36 -0.40 116.25 118.99 2oqt h VAL 120 Ca -0.01 -0.28 0.24 0.00 0.82 0.00 0.00 66.70 67.47 2oqt h VAL 120 Cb 0.82 0.50 -0.14 0.00 -1.52 0.00 0.00 31.29 30.96 2oqt h VAL 120 CO 0.03 0.13 0.32 0.00 0.02 0.00 0.00 177.57 178.07 2oqt h ALA 121 N 1.14 1.39 0.25 1.67 0.00 -1.07 0.14 119.26 122.78 2oqt h ALA 121 Ca 0.17 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2oqt h ALA 121 Cb -0.03 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2oqt h ALA 121 CO -0.03 -0.43 -0.12 1.25 0.00 0.00 0.00 179.25 179.92 2oqt h LEU 122 N 0.29 -0.28 0.00 0.00 5.85 -0.78 -3.08 115.31 117.31 2oqt h LEU 122 Ca 0.57 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2oqt h LEU 122 Cb 1.14 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2oqt h LEU 122 CO -0.60 0.08 0.00 0.49 -0.34 0.00 0.00 178.44 178.07 2oqt n PHE 123 N -5.09 0.00 0.41 1.25 3.72 -0.67 -2.15 117.46 114.94 2oqt n PHE 123 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 2oqt n PHE 123 Cb 0.25 -0.39 0.26 0.00 -0.94 0.00 0.00 39.48 38.66 2oqt n PHE 123 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2oqt h GLU 124 N 0.00 0.00 -6.44 -1.08 5.08 -0.65 -3.42 114.58 108.07 2oqt h GLU 124 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2oqt h GLU 124 Cb 0.27 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.68 2oqt h GLU 124 CO 0.00 0.00 -0.46 1.28 -1.00 0.00 0.00 179.01 178.83 2oqt n LEU 125 N -2.65 0.29 -4.73 1.33 4.77 -0.91 -4.87 117.00 110.22 2oqt n LEU 125 Ca 0.04 0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 56.36 2oqt n LEU 125 Cb 0.48 -1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 2oqt n LEU 125 CO 0.33 -3.18 1.06 -0.62 -1.33 0.00 0.00 177.39 173.65 2oqt s ASP 126 N -1.12 6.78 -1.48 -1.43 3.68 -1.26 -2.63 116.67 119.20 2oqt s ASP 126 Ca 0.67 2.48 -0.05 0.00 2.13 0.00 0.00 52.55 57.78 2oqt s ASP 126 Cb -0.47 -2.61 0.04 0.00 -1.45 0.00 0.00 42.92 38.43 2oqt s ASP 126 CO 0.56 -0.63 0.53 -3.20 0.13 0.00 0.00 175.17 172.56 2oqt n ASN 127 N 2.92 -1.22 -0.20 -0.34 4.05 -1.26 -4.86 115.26 114.35 2oqt n ASN 127 Ca 0.08 -1.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.04 2oqt n ASN 127 Cb 0.42 -3.02 0.02 0.00 1.23 0.00 0.00 39.78 38.43 2oqt n ASN 127 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2oqt h ALA 128 N 0.86 0.74 -0.40 5.20 0.00 -1.76 -2.78 119.26 121.12 2oqt h ALA 128 Ca -0.62 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.06 2oqt h ALA 128 Cb 1.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2oqt h ALA 128 CO 0.66 0.37 0.00 0.97 0.00 0.00 0.00 179.25 181.25 2oqt h ILE 129 N 0.79 1.26 0.09 0.00 2.10 -1.89 -0.84 117.51 119.02 2oqt h ILE 129 Ca 0.19 -1.01 -0.26 0.00 1.08 0.00 0.00 64.86 64.86 2oqt h ILE 129 Cb 0.22 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 2oqt h ILE 129 CO -0.01 0.34 -1.16 -0.33 -1.08 0.00 0.00 178.15 175.91 2oqt h GLU 130 N 0.54 0.29 -0.97 2.19 3.07 -1.96 -0.10 114.58 117.65 2oqt h GLU 130 Ca 0.11 -0.44 0.07 0.00 -0.50 0.00 0.00 59.36 58.60 2oqt h GLU 130 Cb 0.48 0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 28.47 2oqt h GLU 130 CO 0.02 1.18 0.62 0.00 -1.40 0.00 0.00 179.01 179.43 2oqt h ARG 131 N 0.11 1.08 0.17 2.33 3.08 -1.44 -0.46 114.38 119.24 2oqt h ARG 131 Ca -0.12 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2oqt h ARG 131 Cb 1.86 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.67 2oqt h ARG 131 CO 0.19 0.71 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.65 2oqt h LEU 132 N 1.11 -0.20 -0.32 3.04 -0.00 -0.38 -2.77 115.31 115.80 2oqt h LEU 132 Ca 0.43 -0.14 0.06 0.00 -0.00 0.00 0.00 57.88 58.22 2oqt h LEU 132 Cb 0.21 0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 40.83 2oqt h LEU 132 CO -0.18 0.03 -0.42 0.58 -0.00 0.00 0.00 178.44 178.45 2oqt h VAL 133 N -0.42 0.13 0.00 1.22 2.07 -0.95 -2.56 116.25 115.74 2oqt h VAL 133 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2oqt h VAL 133 Cb 0.33 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2oqt h VAL 133 CO 0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2oqt n ALA 134 N -3.01 1.40 -1.67 1.67 0.00 -0.19 -4.77 120.51 113.93 2oqt n ALA 134 Ca -0.02 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2oqt n ALA 134 Cb 0.35 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2oqt n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oqt n GLN 136 N 0.31 2.28 -4.11 0.00 6.02 -1.26 -4.95 117.38 115.66 2oqt n GLN 136 Ca 0.07 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.93 2oqt n GLN 136 Cb 0.37 -1.02 -0.10 0.00 1.02 0.00 0.00 30.24 30.51 2oqt n GLN 136 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2oqt s SER 137 N -2.31 0.81 0.22 1.08 1.04 -1.26 -5.03 113.70 108.25 2oqt s SER 137 Ca -0.00 -0.91 -0.09 0.00 0.48 0.00 0.00 55.95 55.43 2oqt s SER 137 Cb 0.05 0.13 0.33 0.00 0.10 0.00 0.00 66.02 66.63 2oqt s SER 137 CO 0.30 -0.47 1.68 -0.65 0.98 0.00 0.00 173.24 175.09 2oqt h PRO 138 N 3.34 0.19 -0.84 4.02 0.11 -1.96 -3.09 132.00 133.77 2oqt h PRO 138 Ca -0.35 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.90 2oqt h PRO 138 Cb 1.16 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 2oqt h PRO 138 CO 0.61 0.13 0.42 0.87 -0.21 0.00 0.00 178.00 179.81 2oqt h LYS 139 N 0.20 0.57 -0.52 1.05 1.79 -1.97 0.15 116.57 117.83 2oqt h LYS 139 Ca 0.34 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.88 2oqt h LYS 139 Cb 0.55 -0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 30.98 2oqt h LYS 139 CO -0.48 0.38 -0.05 0.93 -1.08 0.00 0.00 179.45 179.15 2oqt h GLU 140 N 0.58 0.07 0.26 3.15 5.08 -1.94 0.52 114.58 122.30 2oqt h GLU 140 Ca 0.46 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 2oqt h GLU 140 Cb 0.68 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2oqt h GLU 140 CO -0.38 0.05 -0.12 0.28 -1.00 0.00 0.00 179.01 177.83 2oqt h VAL 141 N 0.07 0.75 -0.66 3.13 2.07 -0.84 -2.86 116.25 117.91 2oqt h VAL 141 Ca 0.26 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.92 2oqt h VAL 141 Cb 0.41 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2oqt h VAL 141 CO -0.48 0.01 0.47 -0.07 0.02 0.00 0.00 177.57 177.52 2oqt h LEU 142 N -0.37 0.09 -2.07 2.57 4.07 -0.41 -0.23 115.31 118.97 2oqt h LEU 142 Ca -0.04 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 2oqt h LEU 142 Cb 0.28 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2oqt h LEU 142 CO 0.06 0.04 0.01 -0.62 -1.08 0.00 0.00 178.44 176.86 2oqt n GLU 143 N -4.38 1.02 0.00 1.13 1.02 0.14 -1.78 120.64 117.79 2oqt n GLU 143 Ca 0.13 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2oqt n GLU 143 Cb 0.67 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 2oqt n GLU 143 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2oqt n VAL 145 N 0.50 0.00 -0.11 2.62 0.31 -0.10 -0.38 118.33 121.17 2oqt n VAL 145 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 2oqt n VAL 145 Cb 0.52 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.42 2oqt n VAL 145 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2oqt h GLU 146 N 0.00 0.61 -0.36 5.55 4.57 -1.61 -2.60 114.58 120.75 2oqt h GLU 146 Ca 0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2oqt h GLU 146 Cb 0.00 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2oqt h GLU 146 CO 0.00 0.78 0.24 1.49 -1.18 0.00 0.00 179.01 180.34 2oqt h GLU 147 N 0.39 0.46 0.00 1.92 4.81 -1.00 -2.92 114.58 118.25 2oqt h GLU 147 Ca 0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2oqt h GLU 147 Cb 0.55 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2oqt h GLU 147 CO 0.03 0.31 0.00 -1.13 -0.73 0.00 0.00 179.01 177.49 2oqt n SER 148 N -4.48 0.62 -4.39 1.04 3.41 -0.98 -3.81 113.62 105.03 2oqt n SER 148 Ca 0.02 0.66 -0.45 0.00 -0.26 0.00 0.00 58.87 58.84 2oqt n SER 148 Cb 0.07 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.20 2oqt n SER 148 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2oqt s LYS 149 N -3.31 3.53 0.00 4.33 -2.85 -1.10 -4.65 119.74 115.69 2oqt s LYS 149 Ca 0.04 -2.03 0.00 0.00 -1.00 0.00 0.00 55.97 52.99 2oqt s LYS 149 Cb 0.09 -4.61 0.00 0.00 -2.06 0.00 0.00 37.83 31.25 2oqt s LYS 149 CO 0.37 -1.52 0.00 -0.25 0.10 0.00 0.00 175.35 174.05