#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqf s GLU 2 N 0.00 4.63 0.56 1.64 2.12 -1.26 -5.05 118.70 121.34 2oqf s GLU 2 Ca 0.00 1.54 -0.15 0.00 0.36 0.00 0.00 54.97 56.73 2oqf s GLU 2 Cb 0.00 -3.03 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 2oqf s GLU 2 CO 0.00 0.28 1.01 0.95 -0.54 0.00 0.00 175.26 176.96 2oqf s THR 3 N -1.35 4.43 0.33 -1.70 -4.23 -1.26 -4.85 115.64 107.01 2oqf s THR 3 Ca 0.47 1.05 0.23 0.00 -1.18 0.00 0.00 61.69 62.26 2oqf s THR 3 Cb -0.25 -3.68 0.23 0.00 1.34 0.00 0.00 72.50 70.13 2oqf s THR 3 CO 0.32 -0.77 1.95 0.00 -0.54 0.00 0.00 174.62 175.58 2oqf h ALA 4 N 0.48 1.23 0.08 3.99 0.00 -1.96 0.19 119.26 123.26 2oqf h ALA 4 Ca -0.46 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 53.99 2oqf h ALA 4 Cb 1.19 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2oqf h ALA 4 CO 0.61 0.26 -1.13 0.00 0.00 0.00 0.00 179.25 178.99 2oqf h ALA 5 N 1.79 0.16 -0.33 0.00 0.00 -1.89 -2.38 119.26 116.61 2oqf h ALA 5 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 2oqf h ALA 5 Cb 0.53 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2oqf h ALA 5 CO 0.03 0.80 0.02 0.00 0.00 0.00 0.00 179.25 180.10 2oqf h ALA 6 N 0.53 0.44 -0.78 0.00 0.00 -1.73 -2.48 119.26 115.23 2oqf h ALA 6 Ca -0.13 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.60 2oqf h ALA 6 Cb 1.80 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 2oqf h ALA 6 CO 0.20 0.17 0.48 -0.22 0.00 0.00 0.00 179.25 179.89 2oqf h LYS 7 N 0.37 0.88 -0.67 0.00 3.64 -0.72 -1.68 116.57 118.40 2oqf h LYS 7 Ca 0.09 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2oqf h LYS 7 Cb 0.41 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2oqf h LYS 7 CO 0.01 0.58 0.39 0.35 -2.27 0.00 0.00 179.45 178.52 2oqf h PHE 8 N 0.91 0.73 -0.36 1.91 3.04 -1.27 -1.13 116.94 120.77 2oqf h PHE 8 Ca 0.33 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.28 2oqf h PHE 8 Cb 0.10 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 2oqf h PHE 8 CO -0.04 0.38 0.14 0.93 -2.02 0.00 0.00 178.31 177.70 2oqf h GLU 9 N 0.75 0.54 -0.66 1.11 5.08 -0.93 -0.98 114.58 119.48 2oqf h GLU 9 Ca 0.28 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2oqf h GLU 9 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2oqf h GLU 9 CO -0.14 0.53 0.31 -0.09 -1.00 0.00 0.00 179.01 178.62 2oqf h ARG 10 N 0.43 0.94 0.00 2.33 2.43 -1.05 -2.14 114.38 117.32 2oqf h ARG 10 Ca 0.12 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2oqf h ARG 10 Cb 0.20 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2oqf h ARG 10 CO -0.01 0.73 -1.24 1.96 -1.51 0.00 0.00 179.97 179.90 2oqf h GLN 11 N 0.93 0.00 0.00 0.20 4.20 -1.02 -3.42 115.11 116.00 2oqf h GLN 11 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2oqf h GLN 11 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2oqf h GLN 11 CO -0.03 0.18 0.00 0.72 -0.67 0.00 0.00 178.83 179.03 2oqf n HIS 12 N -2.82 0.00 -3.61 2.96 8.25 -0.39 -4.65 115.22 114.97 2oqf n HIS 12 Ca -0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.01 2oqf n HIS 12 Cb 0.73 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.72 2oqf n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2oqf s MET 13 N -0.19 3.49 -0.51 -0.41 -1.94 -0.81 0.41 119.30 119.35 2oqf s MET 13 Ca 0.00 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 2oqf s MET 13 Cb 0.00 -3.65 0.15 0.00 2.01 0.00 0.00 34.83 33.34 2oqf s MET 13 CO 0.00 -0.38 0.33 0.34 -0.01 0.00 0.00 175.02 175.30 2oqf s ASP 14 N 1.67 3.52 0.00 3.03 2.15 -0.68 -4.87 116.67 121.49 2oqf s ASP 14 Ca 0.06 -3.07 0.25 0.00 0.43 0.00 0.00 52.55 50.22 2oqf s ASP 14 Cb -0.17 -1.10 1.14 0.00 -0.30 0.00 0.00 42.92 42.50 2oqf s ASP 14 CO 0.08 -0.20 1.78 -1.20 -0.17 0.00 0.00 175.17 175.47 2oqf n SER 15 N 2.95 1.04 0.12 -0.34 7.64 -1.26 -3.86 113.62 119.91 2oqf n SER 15 Ca 0.16 -1.45 -0.01 0.00 1.01 0.00 0.00 58.87 58.59 2oqf n SER 15 Cb 0.37 -0.03 0.06 0.00 -1.01 0.00 0.00 64.21 63.61 2oqf n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2oqf h SER 16 N 1.52 0.00 -3.67 6.43 4.64 -1.92 -3.45 113.55 117.09 2oqf h SER 16 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 2oqf h SER 16 Cb 0.33 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.24 2oqf h SER 16 CO 0.00 0.66 -0.78 0.42 -0.87 0.00 0.00 176.83 176.26 2oqf s THR 17 N -3.10 3.01 -0.32 2.95 -4.23 -1.25 -5.02 115.64 107.68 2oqf s THR 17 Ca 0.01 -1.42 0.22 0.00 -1.18 0.00 0.00 61.69 59.32 2oqf s THR 17 Cb 0.10 -2.39 0.17 0.00 1.34 0.00 0.00 72.50 71.72 2oqf s THR 17 CO 0.76 0.11 1.35 0.77 -0.54 0.00 0.00 174.62 177.07 2oqf h SER 18 N 3.70 0.00 -4.55 3.99 4.64 -1.88 -3.44 113.55 116.02 2oqf h SER 18 Ca -0.50 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.90 2oqf h SER 18 Cb 1.17 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 2oqf h SER 18 CO 0.48 0.08 0.46 0.00 -0.87 0.00 0.00 176.83 176.99 2oqf s ALA 19 N -3.22 -1.84 -0.43 5.18 0.00 -1.26 -4.85 121.76 115.34 2oqf s ALA 19 Ca 0.04 1.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 2oqf s ALA 19 Cb 0.07 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.29 2oqf s ALA 19 CO 0.73 -0.55 1.08 0.00 0.00 0.00 0.00 175.76 177.02 2oqf s ALA 20 N -2.39 3.27 -2.27 0.00 0.00 -1.26 -4.90 121.76 114.21 2oqf s ALA 20 Ca 0.01 -0.40 0.20 0.00 0.00 0.00 0.00 51.96 51.77 2oqf s ALA 20 Cb -0.01 -3.79 0.54 0.00 0.00 0.00 0.00 23.12 19.87 2oqf s ALA 20 CO -0.04 -2.00 1.45 0.43 0.00 0.00 0.00 175.76 175.59 2oqf n SER 21 N 7.45 2.68 -4.13 0.00 7.64 -1.26 -4.80 113.62 121.20 2oqf n SER 21 Ca 0.11 -1.90 -0.23 0.00 1.01 0.00 0.00 58.87 57.85 2oqf n SER 21 Cb 0.48 -0.23 -0.15 0.00 -1.01 0.00 0.00 64.21 63.30 2oqf n SER 21 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2oqf s SER 22 N -1.37 1.81 0.56 6.43 0.15 -1.26 -5.01 113.70 115.02 2oqf s SER 22 Ca 0.36 -0.29 0.36 0.00 0.70 0.00 0.00 55.95 57.07 2oqf s SER 22 Cb 0.20 -0.20 1.62 0.00 -1.71 0.00 0.00 66.02 65.93 2oqf s SER 22 CO 0.28 0.18 2.07 0.77 1.20 0.00 0.00 173.24 177.73 2oqf h SER 23 N 5.70 0.00 -0.41 5.45 4.64 -1.93 -2.79 113.55 124.20 2oqf h SER 23 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2oqf h SER 23 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2oqf h SER 23 CO 0.48 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.03 2oqf n ASN 24 N -3.03 2.94 0.02 4.97 3.02 -1.26 -4.43 115.26 117.49 2oqf n ASN 24 Ca -0.00 -1.94 -0.10 0.00 -0.03 0.00 0.00 54.58 52.51 2oqf n ASN 24 Cb 0.24 -0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 2oqf n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2oqf h TYR 25 N 3.59 -0.69 -0.19 3.10 5.03 -1.90 -1.06 116.97 124.84 2oqf h TYR 25 Ca 0.00 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.35 2oqf h TYR 25 Cb 0.80 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 2oqf h TYR 25 CO 0.27 -0.34 0.07 0.00 -1.32 0.00 0.00 178.16 176.84 2oqf h ASN 27 N 0.17 0.41 -0.07 0.00 2.35 -1.76 0.12 115.58 116.80 2oqf h ASN 27 Ca 0.08 0.11 -0.21 0.00 -0.55 0.00 0.00 56.30 55.72 2oqf h ASN 27 Cb 0.04 0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.48 2oqf h ASN 27 CO -0.07 0.15 -0.79 -0.61 -1.65 0.00 0.00 177.43 174.45 2oqf h GLN 28 N 0.53 0.67 0.03 0.81 4.15 -0.75 -3.19 115.11 117.35 2oqf h GLN 28 Ca 0.45 -0.62 -0.23 0.00 0.77 0.00 0.00 58.65 59.02 2oqf h GLN 28 Cb 0.69 0.15 0.02 0.00 0.21 0.00 0.00 27.48 28.55 2oqf h GLN 28 CO -0.40 1.23 -0.92 0.52 -1.93 0.00 0.00 178.83 177.33 2oqf h MET 29 N 0.33 0.57 -0.97 1.69 2.86 -0.21 -0.70 114.93 118.49 2oqf h MET 29 Ca -0.08 -0.65 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 2oqf h MET 29 Cb 1.45 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 33.25 2oqf h MET 29 CO 0.16 1.26 0.62 0.52 1.06 0.00 0.00 176.91 180.53 2oqf h MET 30 N 0.15 1.30 0.22 1.72 2.86 -0.92 -0.00 114.93 120.25 2oqf h MET 30 Ca -0.12 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 2oqf h MET 30 Cb 1.61 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.99 2oqf h MET 30 CO 0.18 0.87 -0.10 -0.22 1.06 0.00 0.00 176.91 178.70 2oqf h LYS 31 N 1.33 -0.28 0.00 1.72 3.64 -1.57 -0.60 116.57 120.81 2oqf h LYS 31 Ca 0.35 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2oqf h LYS 31 Cb -0.12 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2oqf h LYS 31 CO -0.07 0.10 -0.11 0.66 -2.27 0.00 0.00 179.45 177.76 2oqf h SER 32 N -0.87 0.00 -0.35 4.20 4.64 -0.95 -0.71 113.55 119.51 2oqf h SER 32 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2oqf h SER 32 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2oqf h SER 32 CO 0.05 0.11 0.00 0.54 -0.87 0.00 0.00 176.83 176.66 2oqf n ARG 33 N -3.95 1.84 -3.52 4.77 5.12 -0.03 -4.94 116.66 115.96 2oqf n ARG 33 Ca -0.02 -1.31 -0.21 0.00 -1.93 0.00 0.00 57.85 54.37 2oqf n ARG 33 Cb 0.20 -1.29 0.08 0.00 -1.16 0.00 0.00 32.46 30.29 2oqf n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2oqf n ASN 34 N 0.56 -5.13 -1.03 0.55 3.02 -0.27 -4.91 115.26 108.05 2oqf n ASN 34 Ca 0.13 -0.55 0.12 0.00 -0.03 0.00 0.00 54.58 54.25 2oqf n ASN 34 Cb 0.31 -4.94 0.24 0.00 -0.61 0.00 0.00 39.78 34.78 2oqf n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2oqf n LEU 35 N -4.66 3.10 -0.29 3.41 4.77 -0.24 -4.43 117.00 118.67 2oqf n LEU 35 Ca -0.07 -1.31 0.06 0.00 -0.03 0.00 0.00 56.01 54.66 2oqf n LEU 35 Cb 0.59 -0.21 0.10 0.00 -2.33 0.00 0.00 43.42 41.57 2oqf n LEU 35 CO 0.62 0.66 0.44 0.35 -1.33 0.00 0.00 177.39 178.13 2oqf n THR 36 N 1.27 1.27 0.35 -5.08 -2.24 -1.25 -3.04 114.28 105.56 2oqf n THR 36 Ca 0.18 -1.60 -0.14 0.00 -2.27 0.00 0.00 64.05 60.22 2oqf n THR 36 Cb 0.56 0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 2oqf n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2oqf h LYS 37 N 0.10 -0.89 0.00 -0.78 1.79 -1.94 -3.33 116.57 111.52 2oqf h LYS 37 Ca -0.01 0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.40 2oqf h LYS 37 Cb 1.15 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.98 2oqf h LYS 37 CO 0.00 -0.59 -1.68 -0.25 -1.08 0.00 0.00 179.45 175.85 2oqf n ASP 38 N -5.05 0.45 -3.62 0.86 8.00 -1.26 -5.01 116.55 110.93 2oqf n ASP 38 Ca -0.11 0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.44 2oqf n ASP 38 Cb 0.36 0.91 -0.07 0.00 -0.02 0.00 0.00 41.12 42.31 2oqf n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2oqf s ARG 39 N -3.11 0.81 -0.29 -1.24 3.52 -1.25 -5.06 118.95 112.32 2oqf s ARG 39 Ca -0.05 0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 56.09 2oqf s ARG 39 Cb 0.10 0.39 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 2oqf s ARG 39 CO 0.84 -0.12 1.67 0.00 -0.81 0.00 0.00 175.30 176.88 2oqf n LYS 41 N 8.04 2.78 -0.05 0.00 4.81 -1.17 -4.91 118.16 127.68 2oqf n LYS 41 Ca 0.20 1.02 -0.13 0.00 -0.87 0.00 0.00 58.31 58.53 2oqf n LYS 41 Cb 0.46 -2.92 -0.07 0.00 0.02 0.00 0.00 35.03 32.52 2oqf n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2oqf h PRO 42 N 9.11 0.28 -4.84 1.64 0.11 -1.93 -3.43 132.00 132.93 2oqf h PRO 42 Ca -0.47 -0.12 -0.42 0.00 0.11 0.00 0.00 66.00 65.09 2oqf h PRO 42 Cb 1.23 -0.01 -0.29 0.00 0.11 0.00 0.00 31.00 32.04 2oqf h PRO 42 CO 0.95 0.62 -0.79 0.08 -0.21 0.00 0.00 178.00 178.64 2oqf s VAL 43 N -4.54 0.83 -0.24 3.15 1.01 -1.26 -1.07 120.40 118.27 2oqf s VAL 43 Ca -0.14 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 2oqf s VAL 43 Cb 0.05 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.79 2oqf s VAL 43 CO 0.73 0.24 0.62 0.21 0.00 0.00 0.00 175.10 176.90 2oqf s ASN 44 N -0.16 -0.72 -0.09 3.32 2.47 -0.48 -5.02 114.94 114.26 2oqf s ASN 44 Ca 0.03 1.30 0.01 0.00 0.42 0.00 0.00 52.86 54.62 2oqf s ASN 44 Cb -0.05 1.26 -0.02 0.00 -1.45 0.00 0.00 41.25 40.99 2oqf s ASN 44 CO -0.00 -0.22 -0.12 -0.89 -3.72 0.00 0.00 177.10 172.15 2oqf s THR 45 N 0.82 3.21 -0.11 -5.21 2.01 -1.26 -0.20 115.64 114.89 2oqf s THR 45 Ca -0.04 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 2oqf s THR 45 Cb -0.05 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2oqf s THR 45 CO -0.06 0.56 0.06 -0.36 -0.69 0.00 0.00 174.62 174.12 2oqf s PHE 46 N -0.25 3.32 -0.16 4.92 0.40 -0.39 -4.33 117.98 121.49 2oqf s PHE 46 Ca 0.02 0.29 -0.06 0.00 -0.60 0.00 0.00 56.93 56.57 2oqf s PHE 46 Cb -0.13 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 2oqf s PHE 46 CO 0.03 0.52 0.05 0.08 0.70 0.00 0.00 175.22 176.59 2oqf s VAL 47 N -0.76 4.69 -0.98 -0.44 1.01 0.17 -0.90 120.40 123.18 2oqf s VAL 47 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2oqf s VAL 47 Cb -0.12 -3.08 0.32 0.00 0.00 0.00 0.00 36.38 33.50 2oqf s VAL 47 CO 0.03 0.50 1.67 1.41 0.00 0.00 0.00 175.10 178.71 2oqf n HIS 48 N 3.22 2.87 -4.16 5.22 8.25 0.09 -1.68 115.22 129.03 2oqf n HIS 48 Ca -0.17 -2.75 -0.10 0.00 -0.26 0.00 0.00 57.72 54.44 2oqf n HIS 48 Cb 0.53 -1.11 -0.10 0.00 1.12 0.00 0.00 29.99 30.42 2oqf n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2oqf s GLU 49 N -4.04 0.92 0.84 -0.41 0.41 -1.26 -4.56 118.70 110.60 2oqf s GLU 49 Ca 0.39 -1.43 -0.12 0.00 -0.41 0.00 0.00 54.97 53.41 2oqf s GLU 49 Cb 0.18 0.09 0.10 0.00 -1.78 0.00 0.00 34.13 32.73 2oqf s GLU 49 CO -0.10 -0.19 1.17 -1.54 -0.49 0.00 0.00 175.26 174.10 2oqf s SER 50 N -3.06 3.44 0.17 -0.19 1.04 -1.26 -4.28 113.70 109.56 2oqf s SER 50 Ca 0.21 2.24 -0.14 0.00 0.48 0.00 0.00 55.95 58.74 2oqf s SER 50 Cb 0.07 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.72 2oqf s SER 50 CO 0.00 -2.76 1.80 0.25 0.98 0.00 0.00 173.24 173.51 2oqf h LEU 51 N -1.28 0.43 -0.78 2.42 5.85 -1.98 -2.43 115.31 117.53 2oqf h LEU 51 Ca -0.45 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.31 2oqf h LEU 51 Cb 1.28 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2oqf h LEU 51 CO 0.45 0.30 0.50 0.00 -0.34 0.00 0.00 178.44 179.35 2oqf h ALA 52 N 1.23 1.01 -0.17 1.25 0.00 -1.98 0.08 119.26 120.69 2oqf h ALA 52 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2oqf h ALA 52 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2oqf h ALA 52 CO -0.11 0.33 -0.36 -0.44 0.00 0.00 0.00 179.25 178.67 2oqf h ASP 53 N 0.99 0.37 0.19 0.00 3.32 -1.82 -0.95 116.42 118.51 2oqf h ASP 53 Ca 0.30 -0.15 -0.24 0.00 0.02 0.00 0.00 57.03 56.97 2oqf h ASP 53 Cb -0.02 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.44 2oqf h ASP 53 CO -0.10 0.71 -0.96 0.58 -1.72 0.00 0.00 179.24 177.75 2oqf h VAL 54 N 0.31 1.35 -0.66 -1.35 2.07 -1.11 -3.22 116.25 113.63 2oqf h VAL 54 Ca 0.03 -2.34 -0.03 0.00 0.82 0.00 0.00 66.70 65.18 2oqf h VAL 54 Cb 0.78 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 2oqf h VAL 54 CO 0.06 0.71 0.28 1.56 0.02 0.00 0.00 177.57 180.20 2oqf h GLN 55 N 0.31 0.96 0.00 1.57 4.20 -0.82 -2.54 115.11 118.78 2oqf h GLN 55 Ca -0.09 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2oqf h GLN 55 Cb 1.60 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.21 2oqf h GLN 55 CO 0.18 0.77 0.00 0.00 -0.67 0.00 0.00 178.83 179.11 2oqf h ALA 56 N 1.36 1.00 -0.02 3.87 0.00 -1.19 -2.58 119.26 121.70 2oqf h ALA 56 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2oqf h ALA 56 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2oqf h ALA 56 CO -0.02 0.00 -0.02 0.28 0.00 0.00 0.00 179.25 179.49 2oqf h VAL 57 N 0.00 1.03 0.00 0.00 2.07 -1.50 -2.11 116.25 115.73 2oqf h VAL 57 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2oqf h VAL 57 Cb 0.04 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2oqf h VAL 57 CO 0.00 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2oqf n SER 59 N -1.86 2.69 0.00 0.00 3.41 -0.79 -4.99 113.62 112.07 2oqf n SER 59 Ca 0.03 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 2oqf n SER 59 Cb 0.19 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2oqf n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oqf n GLN 60 N -1.10 0.00 -2.45 4.33 6.02 -0.85 -5.03 117.38 118.30 2oqf n GLN 60 Ca 0.36 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.94 2oqf n GLN 60 Cb 1.12 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.35 2oqf n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2oqf s LYS 61 N 3.95 3.29 -0.02 -1.09 2.47 -0.99 -4.87 119.74 122.47 2oqf s LYS 61 Ca 0.00 0.27 -0.30 0.00 -1.56 0.00 0.00 55.97 54.38 2oqf s LYS 61 Cb 0.00 -4.12 -0.06 0.00 -1.46 0.00 0.00 37.83 32.18 2oqf s LYS 61 CO 0.00 -1.97 1.64 1.21 0.16 0.00 0.00 175.35 176.40 2oqf s ASN 62 N 4.13 6.66 0.21 1.43 2.47 -1.26 0.09 114.94 128.66 2oqf s ASN 62 Ca 0.47 2.29 -0.00 0.00 0.42 0.00 0.00 52.86 56.04 2oqf s ASN 62 Cb -0.09 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.12 2oqf s ASN 62 CO 0.23 -0.91 0.11 0.68 -3.72 0.00 0.00 177.10 173.49 2oqf s VAL 63 N 3.65 0.23 -0.04 -5.21 -7.23 0.13 -4.93 120.40 107.00 2oqf s VAL 63 Ca 0.73 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.62 2oqf s VAL 63 Cb -0.35 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 2oqf s VAL 63 CO 0.30 -0.07 0.96 0.00 -0.31 0.00 0.00 175.10 175.98 2oqf s ALA 64 N -3.99 3.25 1.09 1.32 0.00 -1.26 -3.12 121.76 119.04 2oqf s ALA 64 Ca 0.36 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 2oqf s ALA 64 Cb 0.07 -3.33 0.24 0.00 0.00 0.00 0.00 23.12 20.10 2oqf s ALA 64 CO 0.11 -0.33 1.07 0.00 0.00 0.00 0.00 175.76 176.61 2oqf h LYS 66 N -2.26 0.34 0.00 0.00 1.57 -1.97 0.20 116.57 114.45 2oqf h LYS 66 Ca -0.57 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2oqf h LYS 66 Cb 1.33 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2oqf h LYS 66 CO 0.54 0.37 0.00 0.27 -0.57 0.00 0.00 179.45 180.06 2oqf n ASN 67 N -4.35 0.14 0.00 0.86 6.94 -1.26 -4.89 115.26 112.71 2oqf n ASN 67 Ca 0.00 0.54 0.00 0.00 -0.02 0.00 0.00 54.58 55.10 2oqf n ASN 67 Cb 0.20 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 2oqf n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2oqf n GLY 68 N -0.36 0.67 3.86 4.83 0.00 0.69 -5.06 105.19 109.83 2oqf n GLY 68 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2oqf n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oqf s GLN 69 N -0.69 3.83 -0.33 1.61 -0.21 -1.26 -4.69 119.66 117.93 2oqf s GLN 69 Ca 0.00 0.27 -0.19 0.00 0.02 0.00 0.00 55.36 55.47 2oqf s GLN 69 Cb 0.00 -2.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.05 2oqf s GLN 69 CO 0.00 0.52 0.55 0.95 -2.12 0.00 0.00 175.29 175.19 2oqf s THR 70 N -1.45 4.99 0.28 -0.19 -4.23 -1.26 0.13 115.64 113.91 2oqf s THR 70 Ca 0.36 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 2oqf s THR 70 Cb -0.14 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.74 2oqf s THR 70 CO 0.19 -0.16 0.00 0.00 -0.54 0.00 0.00 174.62 174.11 2oqf s TYR 73 N -4.70 0.29 -0.09 0.00 1.51 -0.32 -0.69 117.35 113.35 2oqf s TYR 73 Ca 0.00 -0.00 -0.10 0.00 -1.01 0.00 0.00 57.07 55.96 2oqf s TYR 73 Cb 0.00 -0.36 -0.05 0.00 -0.11 0.00 0.00 41.96 41.44 2oqf s TYR 73 CO 0.00 -0.11 0.23 -1.14 -1.11 0.00 0.00 175.55 173.42 2oqf s GLN 74 N 0.85 3.66 0.49 -0.62 0.74 0.11 -2.17 119.66 122.72 2oqf s GLN 74 Ca -0.08 0.04 -0.23 0.00 0.05 0.00 0.00 55.36 55.14 2oqf s GLN 74 Cb -0.12 -3.22 -0.06 0.00 1.10 0.00 0.00 33.01 30.71 2oqf s GLN 74 CO -0.02 0.71 1.29 -1.54 -0.55 0.00 0.00 175.29 175.18 2oqf s SER 75 N -0.91 5.75 0.12 6.67 1.04 -0.65 -2.35 113.70 123.37 2oqf s SER 75 Ca 0.17 2.59 -0.12 0.00 0.48 0.00 0.00 55.95 59.08 2oqf s SER 75 Cb -0.13 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.26 2oqf s SER 75 CO 0.07 -1.23 1.39 1.88 0.98 0.00 0.00 173.24 176.33 2oqf h TYR 76 N 1.86 1.10 -1.80 5.02 0.05 -1.94 -3.45 116.97 117.82 2oqf h TYR 76 Ca -0.50 -0.40 -0.54 0.00 0.05 0.00 0.00 58.73 57.34 2oqf h TYR 76 Cb 1.27 -0.20 -0.07 0.00 1.01 0.00 0.00 36.73 38.74 2oqf h TYR 76 CO 0.50 1.23 -0.51 -1.54 -1.05 0.00 0.00 178.16 176.80 2oqf s SER 77 N -6.96 4.74 0.57 3.88 1.04 -1.26 -5.09 113.70 110.62 2oqf s SER 77 Ca -0.11 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 2oqf s SER 77 Cb 0.10 -0.70 -0.05 0.00 0.10 0.00 0.00 66.02 65.47 2oqf s SER 77 CO 0.89 -0.38 1.05 0.42 0.98 0.00 0.00 173.24 176.21 2oqf s THR 78 N -2.44 3.81 0.14 2.02 -4.23 -1.26 -4.64 115.64 109.03 2oqf s THR 78 Ca 0.40 0.92 0.08 0.00 -1.18 0.00 0.00 61.69 61.90 2oqf s THR 78 Cb -0.02 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 2oqf s THR 78 CO 0.24 -0.44 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.66 2oqf s MET 79 N -3.87 1.16 0.08 3.99 -1.94 0.33 -4.90 119.30 114.16 2oqf s MET 79 Ca 0.65 -1.30 -0.30 0.00 -1.71 0.00 0.00 55.69 53.03 2oqf s MET 79 Cb -0.16 -1.22 -0.06 0.00 2.01 0.00 0.00 34.83 35.40 2oqf s MET 79 CO 0.33 0.25 1.17 0.45 -0.01 0.00 0.00 175.02 177.21 2oqf s SER 80 N -2.41 7.12 0.04 3.03 0.15 -1.26 -1.68 113.70 118.70 2oqf s SER 80 Ca 0.11 2.00 -0.01 0.00 0.70 0.00 0.00 55.95 58.76 2oqf s SER 80 Cb -0.07 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2oqf s SER 80 CO 0.05 -0.42 -0.03 0.27 1.20 0.00 0.00 173.24 174.31 2oqf s ILE 81 N 0.85 0.21 -0.19 6.45 -4.36 0.09 -0.73 121.20 123.53 2oqf s ILE 81 Ca 0.57 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 59.37 2oqf s ILE 81 Cb -0.29 -1.23 0.03 0.00 1.25 0.00 0.00 42.46 42.22 2oqf s ILE 81 CO 0.30 -0.87 -0.17 -0.89 0.24 0.00 0.00 174.94 173.55 2oqf s THR 82 N -3.32 2.01 0.02 8.37 2.01 -0.08 0.04 115.64 124.69 2oqf s THR 82 Ca 0.02 -1.06 -0.28 0.00 0.31 0.00 0.00 61.69 60.67 2oqf s THR 82 Cb 0.04 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 2oqf s THR 82 CO -0.08 0.39 0.90 0.00 -0.69 0.00 0.00 174.62 175.15 2oqf s ALA 83 N 1.28 3.23 -0.16 7.40 0.00 0.36 -1.26 121.76 132.61 2oqf s ALA 83 Ca 0.02 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 2oqf s ALA 83 Cb -0.15 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2oqf s ALA 83 CO -0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 175.76 175.43 2oqf s ARG 85 N 0.63 0.22 0.25 0.00 3.52 -0.93 -1.38 118.95 121.26 2oqf s ARG 85 Ca -0.05 0.12 -0.31 0.00 -0.13 0.00 0.00 55.73 55.36 2oqf s ARG 85 Cb -0.15 -0.46 -0.12 0.00 -1.56 0.00 0.00 34.95 32.67 2oqf s ARG 85 CO 0.03 -0.16 1.66 -2.00 -0.81 0.00 0.00 175.30 174.02 2oqf s GLU 86 N 1.15 4.12 0.37 5.12 2.12 -0.23 -0.05 118.70 131.29 2oqf s GLU 86 Ca -0.08 2.60 -0.20 0.00 0.36 0.00 0.00 54.97 57.65 2oqf s GLU 86 Cb -0.13 -3.05 -0.10 0.00 0.26 0.00 0.00 34.13 31.11 2oqf s GLU 86 CO -0.02 -0.70 0.88 0.95 -0.54 0.00 0.00 175.26 175.82 2oqf s THR 87 N 0.62 4.45 0.57 -1.70 -4.23 -0.21 -4.78 115.64 110.36 2oqf s THR 87 Ca 0.69 1.39 0.31 0.00 -1.18 0.00 0.00 61.69 62.90 2oqf s THR 87 Cb -0.49 -3.69 0.44 0.00 1.34 0.00 0.00 72.50 70.09 2oqf s THR 87 CO 0.40 -0.16 1.83 1.23 -0.54 0.00 0.00 174.62 177.37 2oqf h GLY 88 N 2.34 0.00 -2.06 3.99 0.00 -1.93 0.28 103.07 105.69 2oqf h GLY 88 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2oqf h GLY 88 CO 0.63 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.03 2oqf n SER 89 N -3.89 3.07 -4.72 0.19 3.41 -1.26 -4.93 113.62 105.49 2oqf n SER 89 Ca 0.15 -2.23 -0.41 0.00 -0.26 0.00 0.00 58.87 56.12 2oqf n SER 89 Cb 0.91 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 2oqf n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2oqf s SER 90 N -0.79 7.17 -0.07 4.04 0.15 0.97 -4.90 113.70 120.27 2oqf s SER 90 Ca 0.32 1.41 -0.03 0.00 0.70 0.00 0.00 55.95 58.35 2oqf s SER 90 Cb 0.20 -2.48 0.04 0.00 -1.71 0.00 0.00 66.02 62.07 2oqf s SER 90 CO 0.16 -0.15 0.10 -0.75 1.20 0.00 0.00 173.24 173.80 2oqf s LYS 91 N 0.74 -0.02 0.26 5.44 2.20 -1.23 -4.89 119.74 122.24 2oqf s LYS 91 Ca 0.43 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 2oqf s LYS 91 Cb -0.19 -0.62 -0.13 0.00 -1.51 0.00 0.00 37.83 35.38 2oqf s LYS 91 CO 0.23 -0.37 1.38 0.98 -0.36 0.00 0.00 175.35 177.20 2oqf n TYR 92 N 5.31 2.17 1.09 4.03 9.36 -1.26 -1.73 117.16 136.13 2oqf n TYR 92 Ca -0.04 0.46 0.12 0.00 3.32 0.00 0.00 57.90 61.76 2oqf n TYR 92 Cb 0.50 -2.45 0.25 0.00 -0.63 0.00 0.00 39.34 37.01 2oqf n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2oqf n PRO 93 N 1.71 0.37 -2.00 2.98 -0.04 -1.26 -4.98 135.00 131.78 2oqf n PRO 93 Ca 0.10 -0.23 -0.41 0.00 -0.04 0.00 0.00 63.50 62.92 2oqf n PRO 93 Cb 0.32 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2oqf n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2oqf n ASN 94 N -1.12 4.04 -4.77 3.54 5.03 -0.70 -4.99 115.26 116.30 2oqf n ASN 94 Ca 0.08 -2.84 -0.38 0.00 0.87 0.00 0.00 54.58 52.31 2oqf n ASN 94 Cb 0.35 -1.64 -0.02 0.00 -1.02 0.00 0.00 39.78 37.45 2oqf n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2oqf s ALA 96 N -1.40 1.17 -0.02 0.00 0.00 -1.26 -4.94 121.76 115.30 2oqf s ALA 96 Ca 0.58 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.23 2oqf s ALA 96 Cb -0.32 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2oqf s ALA 96 CO 0.40 0.11 -0.18 0.71 0.00 0.00 0.00 175.76 176.80 2oqf s TYR 97 N 0.66 1.63 -0.01 0.00 2.02 -1.26 -1.05 117.35 119.34 2oqf s TYR 97 Ca -0.13 -0.34 -0.28 0.00 -0.37 0.00 0.00 57.07 55.94 2oqf s TYR 97 Cb -0.15 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 2oqf s TYR 97 CO 0.03 -0.06 0.91 0.21 -1.57 0.00 0.00 175.55 175.08 2oqf s LYS 98 N -0.32 4.54 -0.33 -0.62 2.20 0.92 -4.67 119.74 121.46 2oqf s LYS 98 Ca 0.05 1.30 -0.15 0.00 -0.36 0.00 0.00 55.97 56.81 2oqf s LYS 98 Cb -0.08 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2oqf s LYS 98 CO -0.00 -0.01 0.34 0.99 -0.36 0.00 0.00 175.35 176.31 2oqf s THR 99 N 0.90 5.19 -0.30 3.43 2.01 -1.26 -2.18 115.64 123.42 2oqf s THR 99 Ca 0.48 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.64 2oqf s THR 99 Cb -0.20 -3.77 0.08 0.00 0.01 0.00 0.00 72.50 68.62 2oqf s THR 99 CO 0.26 -0.02 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.26 2oqf s THR 100 N 1.99 2.14 0.31 -0.82 2.01 -0.62 -4.97 115.64 115.67 2oqf s THR 100 Ca 0.12 -1.98 -0.28 0.00 0.31 0.00 0.00 61.69 59.85 2oqf s THR 100 Cb -0.16 -2.45 -0.09 0.00 0.01 0.00 0.00 72.50 69.81 2oqf s THR 100 CO 0.11 -0.36 1.06 -1.58 -0.69 0.00 0.00 174.62 173.16 2oqf s GLN 101 N 1.03 4.53 0.27 4.92 2.00 -1.26 -0.49 119.66 130.66 2oqf s GLN 101 Ca 0.03 1.66 -0.14 0.00 -2.00 0.00 0.00 55.36 54.91 2oqf s GLN 101 Cb -0.19 -3.00 0.00 0.00 0.80 0.00 0.00 33.01 30.62 2oqf s GLN 101 CO -0.07 0.16 0.54 0.00 -0.50 0.00 0.00 175.29 175.42 2oqf s ALA 102 N -1.32 -0.41 -0.19 1.58 0.00 0.11 -4.93 121.76 116.60 2oqf s ALA 102 Ca 0.48 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2oqf s ALA 102 Cb -0.28 1.01 0.03 0.00 0.00 0.00 0.00 23.12 23.88 2oqf s ALA 102 CO 0.35 -0.90 -0.14 -0.80 0.00 0.00 0.00 175.76 174.28 2oqf s ASN 103 N -3.01 3.33 0.15 0.00 -0.87 -1.26 -0.73 114.94 112.54 2oqf s ASN 103 Ca 0.20 -0.81 -0.01 0.00 -1.57 0.00 0.00 52.86 50.67 2oqf s ASN 103 Cb -0.02 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.25 39.82 2oqf s ASN 103 CO 0.09 -0.09 0.06 -0.54 -2.57 0.00 0.00 177.10 174.06 2oqf s LYS 104 N 1.34 0.99 0.07 -0.60 3.01 -0.68 -4.87 119.74 119.00 2oqf s LYS 104 Ca 0.01 -1.48 -0.29 0.00 -1.01 0.00 0.00 55.97 53.19 2oqf s LYS 104 Cb -0.15 0.19 -0.05 0.00 -1.01 0.00 0.00 37.83 36.81 2oqf s LYS 104 CO -0.10 -0.27 0.94 -1.01 0.51 0.00 0.00 175.35 175.42 2oqf s HIS 105 N -4.03 3.76 0.16 3.18 3.76 -1.26 0.12 115.29 120.99 2oqf s HIS 105 Ca 0.26 1.73 -0.02 0.00 -0.15 0.00 0.00 55.06 56.88 2oqf s HIS 105 Cb 0.07 -3.04 -0.05 0.00 1.11 0.00 0.00 32.58 30.68 2oqf s HIS 105 CO 0.04 0.16 0.37 0.96 -0.85 0.00 0.00 174.74 175.41 2oqf s ILE 106 N 0.24 5.21 -0.20 0.60 -4.36 -1.26 -4.86 121.20 116.57 2oqf s ILE 106 Ca 0.47 -0.21 0.01 0.00 -0.26 0.00 0.00 60.65 60.65 2oqf s ILE 106 Cb -0.22 -3.68 0.04 0.00 1.25 0.00 0.00 42.46 39.85 2oqf s ILE 106 CO 0.28 -0.06 -0.09 -0.63 0.24 0.00 0.00 174.94 174.68 2oqf s ILE 107 N -1.75 1.59 0.05 8.37 1.01 0.63 -1.64 121.20 129.46 2oqf s ILE 107 Ca 0.39 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 60.12 2oqf s ILE 107 Cb -0.12 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 2oqf s ILE 107 CO 0.27 0.14 -0.20 0.68 0.00 0.00 0.00 174.94 175.83 2oqf s VAL 108 N 1.41 2.64 0.19 2.92 -7.23 -0.92 -0.04 120.40 119.36 2oqf s VAL 108 Ca -0.02 -1.28 -0.27 0.00 -1.81 0.00 0.00 61.98 58.61 2oqf s VAL 108 Cb -0.16 -2.11 -0.08 0.00 0.56 0.00 0.00 36.38 34.59 2oqf s VAL 108 CO -0.08 0.31 0.83 0.00 -0.31 0.00 0.00 175.10 175.85 2oqf s ALA 109 N -0.92 3.41 0.20 1.32 0.00 -0.29 -1.17 121.76 124.31 2oqf s ALA 109 Ca 0.14 0.45 0.11 0.00 0.00 0.00 0.00 51.96 52.66 2oqf s ALA 109 Cb -0.10 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2oqf s ALA 109 CO 0.05 0.26 -0.22 0.00 0.00 0.00 0.00 175.76 175.85 2oqf s GLU 111 N -2.80 0.85 0.00 0.00 2.12 -0.75 -4.90 118.70 113.22 2oqf s GLU 111 Ca 0.22 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.41 2oqf s GLU 111 Cb -0.08 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.71 2oqf s GLU 111 CO 0.11 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 2oqf n GLY 112 N 0.13 -0.25 2.82 -1.50 0.00 -1.26 -2.28 105.19 102.85 2oqf n GLY 112 Ca -0.11 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 2oqf n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2oqf s ASN 113 N -1.25 2.83 0.69 1.61 3.04 -1.26 -3.06 114.94 117.54 2oqf s ASN 113 Ca 0.00 -0.71 -0.14 0.00 0.04 0.00 0.00 52.86 52.04 2oqf s ASN 113 Cb 0.00 -0.77 0.02 0.00 -1.54 0.00 0.00 41.25 38.96 2oqf s ASN 113 CO 0.00 -0.24 1.12 -2.16 -3.04 0.00 0.00 177.10 172.79 2oqf s PRO 114 N 1.73 2.58 -0.76 0.43 0.04 -1.26 -5.08 135.00 132.68 2oqf s PRO 114 Ca -0.00 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 2oqf s PRO 114 Cb -0.16 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.50 2oqf s PRO 114 CO -0.07 -1.43 1.26 -0.47 0.04 0.00 0.00 177.00 176.33 2oqf s TYR 115 N -2.36 2.34 0.17 0.56 5.04 -1.17 -4.87 117.35 117.06 2oqf s TYR 115 Ca 0.67 -0.17 0.06 0.00 -2.44 0.00 0.00 57.07 55.19 2oqf s TYR 115 Cb -0.21 -4.60 -0.04 0.00 0.35 0.00 0.00 41.96 37.45 2oqf s TYR 115 CO 0.44 -2.03 -0.12 0.14 -1.34 0.00 0.00 175.55 172.64 2oqf s VAL 116 N 5.50 1.44 0.30 3.14 -7.23 -0.97 -4.84 120.40 117.76 2oqf s VAL 116 Ca 0.35 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 2oqf s VAL 116 Cb -0.08 -1.91 -0.11 0.00 0.56 0.00 0.00 36.38 34.84 2oqf s VAL 116 CO 0.12 -0.65 1.55 -2.84 -0.31 0.00 0.00 175.10 172.98 2oqf s PRO 117 N -3.60 4.14 0.00 4.82 0.02 -1.26 -1.81 135.00 137.32 2oqf s PRO 117 Ca 0.19 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.74 2oqf s PRO 117 Cb 0.00 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2oqf s PRO 117 CO 0.04 -0.58 0.07 1.33 -0.33 0.00 0.00 177.00 177.53 2oqf n VAL 118 N 1.88 0.00 -3.74 3.83 0.24 -0.38 -4.56 118.33 115.60 2oqf n VAL 118 Ca 0.07 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 2oqf n VAL 118 Cb 0.38 1.20 -0.12 0.00 -1.47 0.00 0.00 33.84 33.83 2oqf n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2oqf s HIS 119 N -0.27 -0.35 -0.11 6.34 5.65 -1.20 -4.70 115.29 120.64 2oqf s HIS 119 Ca 0.00 0.83 -0.26 0.00 0.25 0.00 0.00 55.06 55.88 2oqf s HIS 119 Cb 0.00 0.09 -0.02 0.00 -1.18 0.00 0.00 32.58 31.47 2oqf s HIS 119 CO 0.00 -0.22 0.83 0.12 -0.65 0.00 0.00 174.74 174.82 2oqf s PHE 120 N 1.00 3.50 -0.18 3.88 2.19 -1.26 -1.14 117.98 125.97 2oqf s PHE 120 Ca -0.07 1.34 -0.16 0.00 0.33 0.00 0.00 56.93 58.37 2oqf s PHE 120 Cb -0.08 -2.99 -0.07 0.00 -1.31 0.00 0.00 43.02 38.58 2oqf s PHE 120 CO -0.07 -0.12 -0.28 -3.47 1.83 0.00 0.00 175.22 173.11 2oqf n ASP 121 N 4.65 1.91 0.00 6.13 2.03 0.94 -4.91 116.55 127.29 2oqf n ASP 121 Ca 0.03 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.76 2oqf n ASP 121 Cb 0.50 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 2oqf n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28