#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqf n GLU 2 N 0.00 2.24 -1.76 1.64 2.13 -1.26 -5.00 120.64 118.63 2oqf n GLU 2 Ca 0.00 0.79 -0.32 0.00 0.66 0.00 0.00 57.16 58.29 2oqf n GLU 2 Cb 0.00 -2.45 0.04 0.00 0.27 0.00 0.00 31.44 29.30 2oqf n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2oqf s THR 3 N -0.54 3.78 0.27 6.31 -4.23 -1.26 -4.87 115.64 115.10 2oqf s THR 3 Ca 0.61 0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 61.80 2oqf s THR 3 Cb -0.58 -3.31 0.26 0.00 1.34 0.00 0.00 72.50 70.21 2oqf s THR 3 CO 0.55 -0.62 1.95 0.00 -0.54 0.00 0.00 174.62 175.96 2oqf h ALA 4 N -0.18 1.34 -0.04 3.99 0.00 -1.94 -0.70 119.26 121.74 2oqf h ALA 4 Ca -0.45 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 2oqf h ALA 4 Cb 1.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2oqf h ALA 4 CO 0.56 0.61 -0.63 0.00 0.00 0.00 0.00 179.25 179.80 2oqf h ALA 5 N 1.42 0.88 -0.37 0.00 0.00 -1.87 -1.84 119.26 117.48 2oqf h ALA 5 Ca 0.34 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2oqf h ALA 5 Cb -0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2oqf h ALA 5 CO -0.07 0.76 -0.40 0.00 0.00 0.00 0.00 179.25 179.54 2oqf h ALA 6 N 1.25 0.59 -0.70 0.00 0.00 -1.80 -2.82 119.26 115.79 2oqf h ALA 6 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2oqf h ALA 6 Cb 1.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2oqf h ALA 6 CO 0.09 0.68 0.21 -0.22 0.00 0.00 0.00 179.25 180.01 2oqf h LYS 7 N 0.74 1.09 -0.77 0.00 3.64 -0.99 -1.89 116.57 118.38 2oqf h LYS 7 Ca 0.06 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2oqf h LYS 7 Cb 0.99 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 2oqf h LYS 7 CO 0.10 0.94 0.50 0.35 -2.27 0.00 0.00 179.45 179.08 2oqf h PHE 8 N 1.03 0.97 -0.26 1.91 3.04 -1.32 -1.63 116.94 120.68 2oqf h PHE 8 Ca 0.22 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 2oqf h PHE 8 Cb 0.32 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 2oqf h PHE 8 CO 0.02 0.62 0.14 0.93 -2.02 0.00 0.00 178.31 178.00 2oqf h GLU 9 N 1.05 0.37 -0.25 1.11 5.08 -1.19 -1.88 114.58 118.86 2oqf h GLU 9 Ca 0.28 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2oqf h GLU 9 Cb -0.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2oqf h GLU 9 CO -0.06 0.34 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.02 2oqf h ARG 10 N 0.30 0.45 0.01 2.33 2.43 -1.11 -2.47 114.38 116.31 2oqf h ARG 10 Ca 0.09 -0.14 -0.27 0.00 -0.81 0.00 0.00 59.98 58.85 2oqf h ARG 10 Cb 0.09 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2oqf h ARG 10 CO -0.01 0.61 -1.54 1.96 -1.51 0.00 0.00 179.97 179.48 2oqf h GLN 11 N 0.41 0.02 0.00 0.20 4.20 -1.21 -3.43 115.11 115.29 2oqf h GLN 11 Ca 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2oqf h GLN 11 Cb 0.55 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2oqf h GLN 11 CO 0.04 0.66 0.00 0.72 -0.67 0.00 0.00 178.83 179.57 2oqf n HIS 12 N -3.15 0.00 -3.66 2.96 8.25 -0.71 -4.60 115.22 114.31 2oqf n HIS 12 Ca -0.13 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.95 2oqf n HIS 12 Cb 1.02 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 32.02 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 -0.31 3.79 -0.41 -0.41 -1.94 -0.93 0.61 119.30 119.70 2oqf s MET 13 Ca 0.00 -0.41 0.02 0.00 -1.71 0.00 0.00 55.69 53.59 2oqf s MET 13 Cb 0.00 -3.52 0.15 0.00 2.01 0.00 0.00 34.83 33.46 2oqf s MET 13 CO 0.00 -0.20 0.27 0.34 -0.01 0.00 0.00 175.02 175.41 2oqf s ASP 14 N 1.69 2.86 0.00 3.03 2.15 -0.25 -4.85 116.67 121.30 2oqf s ASP 14 Ca 0.07 -2.62 0.22 0.00 0.43 0.00 0.00 52.55 50.65 2oqf s ASP 14 Cb -0.16 -0.64 0.83 0.00 -0.30 0.00 0.00 42.92 42.65 2oqf s ASP 14 CO 0.08 -0.25 1.60 -1.20 -0.17 0.00 0.00 175.17 175.22 2oqf n SER 15 N 3.49 1.51 0.23 -0.34 7.64 -1.26 -4.01 113.62 120.88 2oqf n SER 15 Ca 0.16 -1.65 0.13 0.00 1.01 0.00 0.00 58.87 58.52 2oqf n SER 15 Cb 0.39 -0.08 0.42 0.00 -1.01 0.00 0.00 64.21 63.93 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 2.05 0.00 -4.09 6.43 4.64 -1.93 -3.45 113.55 117.20 2oqf h SER 16 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 2oqf h SER 16 Cb 0.45 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.34 2oqf h SER 16 CO 0.00 0.10 -0.79 0.42 -0.87 0.00 0.00 176.83 175.69 2oqf s THR 17 N -3.46 1.48 -1.13 2.95 -4.23 -1.26 -5.03 115.64 104.96 2oqf s THR 17 Ca 0.03 -1.62 0.27 0.00 -1.18 0.00 0.00 61.69 59.19 2oqf s THR 17 Cb 0.08 -1.50 0.14 0.00 1.34 0.00 0.00 72.50 72.56 2oqf s THR 17 CO 0.62 -0.26 1.62 -1.54 -0.54 0.00 0.00 174.62 174.52 2oqf n SER 18 N 0.80 0.40 -3.63 3.99 3.41 -1.26 -4.76 113.62 112.56 2oqf n SER 18 Ca -0.17 -0.13 -0.03 0.00 -0.26 0.00 0.00 58.87 58.27 2oqf n SER 18 Cb 0.55 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 2oqf n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oqf s ALA 19 N -2.90 -2.11 -0.45 7.33 0.00 -1.26 -4.87 121.76 117.49 2oqf s ALA 19 Ca 0.15 1.82 -0.28 0.00 0.00 0.00 0.00 51.96 53.65 2oqf s ALA 19 Cb 0.18 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.88 2oqf s ALA 19 CO 0.61 -0.23 1.09 0.00 0.00 0.00 0.00 175.76 177.24 2oqf s ALA 20 N -0.86 3.21 -0.76 0.00 0.00 -1.26 -4.93 121.76 117.17 2oqf s ALA 20 Ca 0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 2oqf s ALA 20 Cb -0.02 -3.82 0.39 0.00 0.00 0.00 0.00 23.12 19.68 2oqf s ALA 20 CO -0.08 -2.12 1.99 0.43 0.00 0.00 0.00 175.76 175.98 2oqf n SER 21 N 7.60 7.48 -3.63 0.00 7.64 -1.26 -4.81 113.62 126.63 2oqf n SER 21 Ca 0.11 -3.81 -0.12 0.00 1.01 0.00 0.00 58.87 56.06 2oqf n SER 21 Cb 0.49 -1.00 -0.07 0.00 -1.01 0.00 0.00 64.21 62.61 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 -1.50 -0.72 0.00 6.43 0.15 -1.26 -5.02 113.70 111.79 2oqf s SER 22 Ca 0.57 1.34 0.18 0.00 0.70 0.00 0.00 55.95 58.74 2oqf s SER 22 Cb 0.47 1.35 0.86 0.00 -1.71 0.00 0.00 66.02 66.99 2oqf s SER 22 CO -0.24 -0.23 1.56 -1.54 1.20 0.00 0.00 173.24 174.00 2oqf n SER 23 N 2.86 0.00 -0.96 5.45 3.41 -1.26 -3.04 113.62 120.08 2oqf n SER 23 Ca -0.15 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 2oqf n SER 23 Cb 0.56 -0.37 0.11 0.00 -0.26 0.00 0.00 64.21 64.25 2oqf n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2oqf n ASN 24 N -1.37 3.01 -0.04 4.04 3.02 -1.26 -4.56 115.26 118.11 2oqf n ASN 24 Ca 0.07 -1.98 -0.08 0.00 -0.03 0.00 0.00 54.58 52.56 2oqf n ASN 24 Cb 0.17 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 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 4.60 -0.29 -0.19 3.10 5.03 -1.95 -0.73 116.97 126.55 2oqf h TYR 25 Ca 0.00 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 2oqf h TYR 25 Cb 0.98 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.41 2oqf h TYR 25 CO 0.03 -0.18 0.05 0.00 -1.32 0.00 0.00 178.16 176.73 2oqf h ASN 27 N 0.11 0.57 0.07 0.00 2.35 -1.77 0.17 115.58 117.09 2oqf h ASN 27 Ca 0.06 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2oqf h ASN 27 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2oqf h ASN 27 CO 0.00 0.23 -0.03 -0.61 -1.65 0.00 0.00 177.43 175.36 2oqf h GLN 28 N 0.65 -0.09 -0.51 0.81 4.15 -0.61 -3.20 115.11 116.30 2oqf h GLN 28 Ca 0.49 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.81 2oqf h GLN 28 Cb 0.71 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 2oqf h GLN 28 CO -0.37 0.46 -0.10 0.52 -1.93 0.00 0.00 178.83 177.40 2oqf h MET 29 N -0.75 0.97 -0.66 1.69 2.86 -0.39 0.45 114.93 119.10 2oqf h MET 29 Ca -0.01 -0.36 0.02 0.00 -2.06 0.00 0.00 59.70 57.29 2oqf h MET 29 Cb 0.59 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 2oqf h MET 29 CO 0.02 1.03 0.44 0.52 1.06 0.00 0.00 176.91 179.98 2oqf h MET 30 N 0.84 0.82 0.13 1.72 2.86 -0.80 -1.07 114.93 119.42 2oqf h MET 30 Ca 0.13 -0.05 -0.27 0.00 -2.06 0.00 0.00 59.70 57.45 2oqf h MET 30 Cb 0.66 -0.18 0.03 0.00 0.06 0.00 0.00 31.60 32.17 2oqf h MET 30 CO 0.05 0.54 -1.13 -0.22 1.06 0.00 0.00 176.91 177.21 2oqf h LYS 31 N 0.84 0.54 0.00 1.72 3.64 -1.49 -1.11 116.57 120.72 2oqf h LYS 31 Ca 0.25 -0.75 -0.12 0.00 -1.27 0.00 0.00 60.65 58.76 2oqf h LYS 31 Cb -0.02 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2oqf h LYS 31 CO -0.06 1.34 -0.55 0.66 -2.27 0.00 0.00 179.45 178.56 2oqf h SER 32 N 0.11 0.00 -0.42 4.20 4.64 -0.63 -2.88 113.55 118.57 2oqf h SER 32 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2oqf h SER 32 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 2oqf h SER 32 CO 0.22 0.55 0.00 0.54 -0.87 0.00 0.00 176.83 177.27 2oqf n ARG 33 N -3.63 1.99 -3.46 4.77 5.12 -0.43 -4.95 116.66 116.07 2oqf n ARG 33 Ca -0.01 -1.51 -0.21 0.00 -1.93 0.00 0.00 57.85 54.20 2oqf n ARG 33 Cb 0.61 -1.33 0.07 0.00 -1.16 0.00 0.00 32.46 30.65 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 0.72 -5.37 -0.82 0.55 3.02 -1.09 -4.90 115.26 107.39 2oqf n ASN 34 Ca 0.14 -0.50 0.12 0.00 -0.03 0.00 0.00 54.58 54.32 2oqf n ASN 34 Cb 0.36 -4.61 0.19 0.00 -0.61 0.00 0.00 39.78 35.11 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 -4.46 2.58 -0.61 3.41 4.77 -0.42 -4.30 117.00 117.97 2oqf n LEU 35 Ca -0.03 -0.86 0.06 0.00 -0.03 0.00 0.00 56.01 55.15 2oqf n LEU 35 Cb 0.57 -0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.81 2oqf n LEU 35 CO 0.58 0.43 0.35 0.35 -1.33 0.00 0.00 177.39 177.78 2oqf n THR 36 N 0.98 1.68 0.13 -5.08 -2.24 -1.24 -2.98 114.28 105.52 2oqf n THR 36 Ca 0.15 -2.51 -0.05 0.00 -2.27 0.00 0.00 64.05 59.37 2oqf n THR 36 Cb 0.53 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.72 -0.33 0.00 -0.78 1.79 -1.92 -3.36 116.57 112.69 2oqf h LYS 37 Ca -0.03 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 2oqf h LYS 37 Cb 1.16 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 2oqf h LYS 37 CO 0.02 -0.22 -1.22 -0.25 -1.08 0.00 0.00 179.45 176.70 2oqf n ASP 38 N -3.35 0.79 -3.54 0.86 8.00 -1.26 -4.97 116.55 113.08 2oqf n ASP 38 Ca -0.04 0.32 -0.16 0.00 0.71 0.00 0.00 54.79 55.62 2oqf n ASP 38 Cb 0.13 0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.62 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 -3.22 1.04 -0.59 -1.24 3.52 -1.26 -5.11 118.95 112.09 2oqf s ARG 39 Ca -0.02 0.07 -0.28 0.00 -0.13 0.00 0.00 55.73 55.37 2oqf s ARG 39 Cb 0.09 0.48 0.03 0.00 -1.56 0.00 0.00 34.95 33.99 2oqf s ARG 39 CO 0.80 -0.34 1.27 0.00 -0.81 0.00 0.00 175.30 176.22 2oqf n LYS 41 N 8.62 2.32 -0.09 0.00 4.81 -1.16 -4.87 118.16 127.79 2oqf n LYS 41 Ca 0.09 0.85 -0.12 0.00 -0.87 0.00 0.00 58.31 58.26 2oqf n LYS 41 Cb 0.49 -2.69 0.01 0.00 0.02 0.00 0.00 35.03 32.86 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 8.39 0.84 -4.11 1.64 0.11 -1.94 -3.43 132.00 133.51 2oqf h PRO 42 Ca -0.47 -0.45 -0.32 0.00 0.11 0.00 0.00 66.00 64.87 2oqf h PRO 42 Cb 1.26 0.02 -0.30 0.00 0.11 0.00 0.00 31.00 32.09 2oqf h PRO 42 CO 0.93 1.09 -0.75 0.08 -0.21 0.00 0.00 178.00 179.14 2oqf s VAL 43 N -4.33 0.32 -0.27 3.15 1.01 -1.26 -0.23 120.40 118.80 2oqf s VAL 43 Ca -0.10 -0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 2oqf s VAL 43 Cb 0.11 -0.30 0.07 0.00 0.00 0.00 0.00 36.38 36.26 2oqf s VAL 43 CO 0.87 0.11 0.70 0.21 0.00 0.00 0.00 175.10 176.99 2oqf s ASN 44 N 0.15 -0.79 -0.13 3.32 2.47 -0.29 -5.00 114.94 114.67 2oqf s ASN 44 Ca -0.01 1.44 -0.02 0.00 0.42 0.00 0.00 52.86 54.69 2oqf s ASN 44 Cb -0.05 1.42 -0.03 0.00 -1.45 0.00 0.00 41.25 41.15 2oqf s ASN 44 CO -0.00 -0.24 -0.06 -0.89 -3.72 0.00 0.00 177.10 172.18 2oqf s THR 45 N 0.73 3.67 -0.12 -5.21 2.01 -1.26 -0.42 115.64 115.04 2oqf s THR 45 Ca -0.03 -0.45 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 2oqf s THR 45 Cb -0.05 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 2oqf s THR 45 CO -0.05 0.52 0.12 -0.36 -0.69 0.00 0.00 174.62 174.17 2oqf s PHE 46 N 0.09 3.53 -0.14 4.92 0.40 -0.63 -4.22 117.98 121.94 2oqf s PHE 46 Ca -0.02 0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2oqf s PHE 46 Cb -0.14 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2oqf s PHE 46 CO 0.03 0.67 0.00 0.08 0.70 0.00 0.00 175.22 176.70 2oqf s VAL 47 N -0.88 4.26 -0.92 -0.44 1.01 0.20 -1.03 120.40 122.60 2oqf s VAL 47 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2oqf s VAL 47 Cb -0.12 -2.85 0.32 0.00 0.00 0.00 0.00 36.38 33.72 2oqf s VAL 47 CO 0.03 0.52 1.50 1.41 0.00 0.00 0.00 175.10 178.56 2oqf n HIS 48 N 3.07 3.00 -4.16 5.22 8.25 -0.13 -1.09 115.22 129.38 2oqf n HIS 48 Ca -0.18 -2.98 -0.11 0.00 -0.26 0.00 0.00 57.72 54.20 2oqf n HIS 48 Cb 0.53 -1.01 -0.10 0.00 1.12 0.00 0.00 29.99 30.53 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 -3.72 1.07 0.87 -0.41 0.41 -1.26 -4.59 118.70 111.06 2oqf s GLU 49 Ca 0.40 -1.50 -0.10 0.00 -0.41 0.00 0.00 54.97 53.35 2oqf s GLU 49 Cb 0.18 0.27 0.12 0.00 -1.78 0.00 0.00 34.13 32.91 2oqf s GLU 49 CO -0.08 -0.33 1.13 -1.54 -0.49 0.00 0.00 175.26 173.95 2oqf s SER 50 N -3.09 3.44 0.26 -0.19 1.04 -1.26 -4.30 113.70 109.60 2oqf s SER 50 Ca 0.30 2.05 -0.05 0.00 0.48 0.00 0.00 55.95 58.73 2oqf s SER 50 Cb 0.07 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.95 2oqf s SER 50 CO 0.06 -2.75 1.90 0.25 0.98 0.00 0.00 173.24 173.68 2oqf h LEU 51 N -1.63 1.05 -0.63 2.42 5.85 -1.99 -2.62 115.31 117.77 2oqf h LEU 51 Ca -0.44 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 2oqf h LEU 51 Cb 1.26 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2oqf h LEU 51 CO 0.45 0.82 0.37 0.00 -0.34 0.00 0.00 178.44 179.74 2oqf h ALA 52 N 1.36 0.80 -0.06 1.25 0.00 -1.98 -0.02 119.26 120.60 2oqf h ALA 52 Ca 0.31 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2oqf h ALA 52 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2oqf h ALA 52 CO -0.06 0.29 -0.53 -0.44 0.00 0.00 0.00 179.25 178.52 2oqf h ASP 53 N 0.85 0.20 0.26 0.00 5.19 -1.83 -0.30 116.42 120.79 2oqf h ASP 53 Ca 0.22 -0.10 -0.25 0.00 -0.62 0.00 0.00 57.03 56.28 2oqf h ASP 53 Cb -0.01 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 39.46 2oqf h ASP 53 CO -0.04 0.69 -1.05 0.58 -3.12 0.00 0.00 179.24 176.30 2oqf h VAL 54 N 0.14 1.36 -0.77 -1.35 2.07 -1.39 -3.28 116.25 113.03 2oqf h VAL 54 Ca 0.00 -2.47 -0.04 0.00 0.82 0.00 0.00 66.70 65.01 2oqf h VAL 54 Cb 0.98 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 2oqf h VAL 54 CO 0.08 0.74 0.31 1.56 0.02 0.00 0.00 177.57 180.29 2oqf h GLN 55 N 0.26 1.14 0.00 1.57 4.20 -0.65 -2.76 115.11 118.88 2oqf h GLN 55 Ca -0.12 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 2oqf h GLN 55 Cb 1.71 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.30 2oqf h GLN 55 CO 0.19 0.92 -0.01 0.00 -0.67 0.00 0.00 178.83 179.26 2oqf h ALA 56 N 1.22 1.14 -0.28 3.87 0.00 -1.11 -2.20 119.26 121.89 2oqf h ALA 56 Ca 0.26 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2oqf h ALA 56 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2oqf h ALA 56 CO -0.02 0.02 0.21 0.28 0.00 0.00 0.00 179.25 179.73 2oqf h VAL 57 N 0.00 0.81 0.00 0.00 2.07 -1.56 -1.65 116.25 115.92 2oqf h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2oqf h VAL 57 Cb 0.09 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2oqf h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2oqf n SER 59 N -1.46 2.30 0.00 0.00 3.41 -0.62 -5.00 113.62 112.25 2oqf n SER 59 Ca 0.02 -3.53 0.00 0.00 -0.26 0.00 0.00 58.87 55.09 2oqf n SER 59 Cb 0.06 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.15 2.17 -2.21 4.33 6.02 -0.65 -5.01 117.38 120.88 2oqf n GLN 60 Ca 0.21 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.77 2oqf n GLN 60 Cb 0.77 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.00 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 4.72 3.64 0.05 -1.09 2.47 -1.01 -4.87 119.74 123.66 2oqf s LYS 61 Ca 0.00 1.32 -0.31 0.00 -1.56 0.00 0.00 55.97 55.42 2oqf s LYS 61 Cb 0.00 -4.05 -0.07 0.00 -1.46 0.00 0.00 37.83 32.26 2oqf s LYS 61 CO 0.00 -1.48 1.41 1.21 0.16 0.00 0.00 175.35 176.65 2oqf s ASN 62 N 4.34 6.83 0.13 1.43 2.47 -1.26 -0.16 114.94 128.73 2oqf s ASN 62 Ca 0.68 2.22 -0.01 0.00 0.42 0.00 0.00 52.86 56.16 2oqf s ASN 62 Cb -0.20 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 36.99 2oqf s ASN 62 CO 0.30 -0.70 0.07 0.68 -3.72 0.00 0.00 177.10 173.74 2oqf s VAL 63 N 1.87 0.10 0.21 -5.21 -7.23 -0.31 -4.90 120.40 104.93 2oqf s VAL 63 Ca 0.65 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 2oqf s VAL 63 Cb -0.34 -2.05 -0.08 0.00 0.56 0.00 0.00 36.38 34.47 2oqf s VAL 63 CO 0.28 -0.44 1.03 0.00 -0.31 0.00 0.00 175.10 175.67 2oqf s ALA 64 N -4.05 3.35 0.97 1.32 0.00 -1.26 -3.31 121.76 118.78 2oqf s ALA 64 Ca 0.24 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 2oqf s ALA 64 Cb 0.07 -3.29 0.18 0.00 0.00 0.00 0.00 23.12 20.08 2oqf s ALA 64 CO 0.02 -0.05 1.21 0.00 0.00 0.00 0.00 175.76 176.94 2oqf h LYS 66 N -1.68 0.77 0.00 0.00 1.57 -1.97 0.36 116.57 115.62 2oqf h LYS 66 Ca -0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2oqf h LYS 66 Cb 1.29 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2oqf h LYS 66 CO 0.48 0.51 0.00 -2.95 -0.57 0.00 0.00 179.45 176.92 2oqf h ASN 67 N 0.79 0.00 0.00 0.86 -1.07 -2.04 -3.47 115.58 110.66 2oqf h ASN 67 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.63 2oqf h ASN 67 Cb 0.05 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.30 2oqf h ASN 67 CO -0.07 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.04 2oqf n GLY 68 N -0.31 0.48 3.85 9.14 0.00 0.13 -5.08 105.19 113.40 2oqf n GLY 68 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.86 3.95 -0.61 1.61 -0.21 -1.26 -4.56 119.66 117.71 2oqf s GLN 69 Ca 0.00 0.45 -0.27 0.00 0.02 0.00 0.00 55.36 55.57 2oqf s GLN 69 Cb 0.00 -2.87 0.03 0.00 1.00 0.00 0.00 33.01 31.18 2oqf s GLN 69 CO 0.00 0.44 1.14 0.95 -2.12 0.00 0.00 175.29 175.70 2oqf s THR 70 N -1.54 4.07 0.00 -0.19 -4.23 -1.26 -0.78 115.64 111.71 2oqf s THR 70 Ca 0.40 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 2oqf s THR 70 Cb -0.14 -4.72 0.00 0.00 1.34 0.00 0.00 72.50 68.98 2oqf s THR 70 CO 0.19 -1.39 0.00 0.00 -0.54 0.00 0.00 174.62 172.88 2oqf s TYR 73 N -1.32 0.41 -0.04 0.00 1.51 -0.66 -1.16 117.35 116.10 2oqf s TYR 73 Ca 0.00 -0.03 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 2oqf s TYR 73 Cb 0.00 -0.53 -0.05 0.00 -0.11 0.00 0.00 41.96 41.27 2oqf s TYR 73 CO 0.00 -0.19 0.35 -1.14 -1.11 0.00 0.00 175.55 173.47 2oqf s GLN 74 N 1.36 3.90 0.44 -0.62 0.74 0.77 -2.15 119.66 124.09 2oqf s GLN 74 Ca -0.05 0.29 -0.25 0.00 0.05 0.00 0.00 55.36 55.40 2oqf s GLN 74 Cb -0.13 -3.25 -0.08 0.00 1.10 0.00 0.00 33.01 30.65 2oqf s GLN 74 CO -0.02 0.63 1.29 -1.54 -0.55 0.00 0.00 175.29 175.09 2oqf s SER 75 N -0.80 6.12 0.16 6.67 1.04 -0.46 -2.40 113.70 124.03 2oqf s SER 75 Ca 0.22 2.61 -0.08 0.00 0.48 0.00 0.00 55.95 59.17 2oqf s SER 75 Cb -0.15 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.36 2oqf s SER 75 CO 0.11 -0.98 1.51 1.88 0.98 0.00 0.00 173.24 176.74 2oqf h TYR 76 N 2.37 1.02 -2.13 5.02 0.05 -1.94 -3.44 116.97 117.92 2oqf h TYR 76 Ca -0.50 -0.30 -0.54 0.00 0.05 0.00 0.00 58.73 57.44 2oqf h TYR 76 Cb 1.25 -0.22 -0.08 0.00 1.01 0.00 0.00 36.73 38.69 2oqf h TYR 76 CO 0.52 1.10 -0.60 -1.54 -1.05 0.00 0.00 178.16 176.59 2oqf s SER 77 N -6.83 4.76 0.41 3.88 1.04 -1.26 -5.07 113.70 110.62 2oqf s SER 77 Ca -0.10 -0.60 -0.24 0.00 0.48 0.00 0.00 55.95 55.49 2oqf s SER 77 Cb 0.12 -0.92 -0.08 0.00 0.10 0.00 0.00 66.02 65.23 2oqf s SER 77 CO 0.87 -0.07 1.10 0.42 0.98 0.00 0.00 173.24 176.53 2oqf s THR 78 N -2.31 3.48 0.17 2.02 -4.23 -1.26 -4.56 115.64 108.94 2oqf s THR 78 Ca 0.33 1.15 0.10 0.00 -1.18 0.00 0.00 61.69 62.09 2oqf s THR 78 Cb -0.06 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2oqf s THR 78 CO 0.21 0.02 -0.18 -0.04 -0.54 0.00 0.00 174.62 174.09 2oqf s MET 79 N -2.52 1.74 0.06 3.99 -1.94 0.24 -4.81 119.30 116.06 2oqf s MET 79 Ca 0.59 -1.35 -0.31 0.00 -1.71 0.00 0.00 55.69 52.92 2oqf s MET 79 Cb -0.25 -2.01 -0.07 0.00 2.01 0.00 0.00 34.83 34.51 2oqf s MET 79 CO 0.31 0.43 1.44 0.45 -0.01 0.00 0.00 175.02 177.64 2oqf s SER 80 N -2.54 6.80 0.10 3.03 0.15 -1.26 -1.54 113.70 118.45 2oqf s SER 80 Ca 0.21 2.26 0.02 0.00 0.70 0.00 0.00 55.95 59.14 2oqf s SER 80 Cb -0.09 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2oqf s SER 80 CO 0.11 -0.72 -0.07 0.27 1.20 0.00 0.00 173.24 174.04 2oqf s ILE 81 N 1.88 0.73 -0.20 6.45 -4.36 -0.02 -0.95 121.20 124.72 2oqf s ILE 81 Ca 0.66 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 59.11 2oqf s ILE 81 Cb -0.35 -1.70 0.04 0.00 1.25 0.00 0.00 42.46 41.70 2oqf s ILE 81 CO 0.29 -0.86 -0.10 -0.89 0.24 0.00 0.00 174.94 173.62 2oqf s THR 82 N -3.61 1.59 0.28 8.37 2.01 -0.20 -0.37 115.64 123.72 2oqf s THR 82 Ca 0.12 -0.97 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 2oqf s THR 82 Cb 0.05 -1.68 -0.09 0.00 0.01 0.00 0.00 72.50 70.79 2oqf s THR 82 CO -0.04 0.16 0.96 0.00 -0.69 0.00 0.00 174.62 175.01 2oqf s ALA 83 N 1.42 3.29 -0.17 7.40 0.00 -0.21 -1.60 121.76 131.89 2oqf s ALA 83 Ca -0.01 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.57 2oqf s ALA 83 Cb -0.16 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.77 2oqf s ALA 83 CO -0.08 0.15 -0.16 0.00 0.00 0.00 0.00 175.76 175.67 2oqf s ARG 85 N 1.38 2.28 0.27 0.00 0.52 -1.07 -1.14 118.95 121.20 2oqf s ARG 85 Ca 0.04 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.32 2oqf s ARG 85 Cb -0.14 -1.80 -0.14 0.00 0.52 0.00 0.00 34.95 33.40 2oqf s ARG 85 CO -0.11 0.11 1.23 -1.91 0.02 0.00 0.00 175.30 174.64 2oqf n GLU 86 N 3.63 1.75 -3.29 3.54 2.13 0.68 -0.38 120.64 128.70 2oqf n GLU 86 Ca -0.21 0.62 -0.30 0.00 0.66 0.00 0.00 57.16 57.92 2oqf n GLU 86 Cb 0.52 -2.15 -0.04 0.00 0.27 0.00 0.00 31.44 30.04 2oqf n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2oqf s THR 87 N -0.66 4.93 -0.07 6.31 -4.23 -0.85 -4.78 115.64 116.30 2oqf s THR 87 Ca 0.62 0.35 0.17 0.00 -1.18 0.00 0.00 61.69 61.66 2oqf s THR 87 Cb -0.67 -3.68 0.17 0.00 1.34 0.00 0.00 72.50 69.67 2oqf s THR 87 CO 0.56 -0.24 1.48 0.61 -0.54 0.00 0.00 174.62 176.49 2oqf n GLY 88 N -0.63 -0.74 0.24 3.99 0.00 -1.26 -1.03 105.19 105.76 2oqf n GLY 88 Ca 0.00 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2oqf n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2oqf n SER 89 N -2.16 1.44 -4.67 1.61 3.41 -1.26 -4.98 113.62 107.01 2oqf n SER 89 Ca -0.01 -1.22 -0.50 0.00 -0.26 0.00 0.00 58.87 56.88 2oqf n SER 89 Cb 0.18 0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 64.80 2oqf n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2oqf n SER 90 N -0.71 2.83 -4.09 4.04 2.88 -0.20 -4.95 113.62 113.42 2oqf n SER 90 Ca 0.06 1.05 -0.30 0.00 -1.33 0.00 0.00 58.87 58.36 2oqf n SER 90 Cb 0.37 -1.31 -0.17 0.00 -0.75 0.00 0.00 64.21 62.35 2oqf n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2oqf s LYS 91 N 2.43 2.44 0.33 -1.46 2.20 -1.26 -4.90 119.74 119.52 2oqf s LYS 91 Ca 0.88 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 2oqf s LYS 91 Cb -0.81 -2.03 -0.11 0.00 -1.51 0.00 0.00 37.83 33.38 2oqf s LYS 91 CO 0.49 -0.04 1.41 -0.47 -0.36 0.00 0.00 175.35 176.39 2oqf s TYR 92 N 0.90 2.86 -2.62 4.03 5.04 -1.26 -1.25 117.35 125.05 2oqf s TYR 92 Ca -0.08 1.23 0.25 0.00 -2.44 0.00 0.00 57.07 56.03 2oqf s TYR 92 Cb -0.15 -3.85 0.68 0.00 0.35 0.00 0.00 41.96 38.99 2oqf s TYR 92 CO -0.01 -2.50 1.53 -0.35 -1.34 0.00 0.00 175.55 172.89 2oqf n PRO 93 N 1.01 1.96 -1.73 4.97 -0.04 -1.26 -4.98 135.00 134.93 2oqf n PRO 93 Ca 0.02 -1.41 -0.40 0.00 -0.04 0.00 0.00 63.50 61.66 2oqf n PRO 93 Cb 0.40 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.69 7.81 -4.73 3.54 5.03 -0.38 -4.98 115.26 122.23 2oqf n ASN 94 Ca 0.17 -2.89 -0.42 0.00 0.87 0.00 0.00 54.58 52.31 2oqf n ASN 94 Cb 0.45 -1.47 -0.02 0.00 -1.02 0.00 0.00 39.78 37.73 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 -0.17 2.74 0.06 0.00 0.00 -1.26 -4.92 121.76 118.21 2oqf s ALA 96 Ca 0.63 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.79 2oqf s ALA 96 Cb -0.53 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 2oqf s ALA 96 CO 0.51 0.30 -0.22 0.71 0.00 0.00 0.00 175.76 177.05 2oqf s TYR 97 N 0.16 1.92 -0.03 0.00 2.02 -1.26 -2.01 117.35 118.14 2oqf s TYR 97 Ca -0.05 -0.39 -0.23 0.00 -0.37 0.00 0.00 57.07 56.03 2oqf s TYR 97 Cb -0.15 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 2oqf s TYR 97 CO 0.04 0.13 0.67 0.21 -1.57 0.00 0.00 175.55 175.03 2oqf s LYS 98 N -1.35 4.41 -0.31 -0.62 2.20 0.49 -4.68 119.74 119.88 2oqf s LYS 98 Ca 0.08 0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 56.42 2oqf s LYS 98 Cb -0.09 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 2oqf s LYS 98 CO 0.02 0.18 0.23 0.99 -0.36 0.00 0.00 175.35 176.42 2oqf s THR 99 N 0.39 5.29 -0.26 3.43 2.01 -1.26 -2.59 115.64 122.65 2oqf s THR 99 Ca 0.35 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.38 2oqf s THR 99 Cb -0.18 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.76 2oqf s THR 99 CO 0.18 0.12 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.26 2oqf s THR 100 N 1.77 1.93 0.18 -0.82 2.01 -0.96 -4.96 115.64 114.79 2oqf s THR 100 Ca 0.07 -1.52 -0.30 0.00 0.31 0.00 0.00 61.69 60.25 2oqf s THR 100 Cb -0.17 -2.12 -0.08 0.00 0.01 0.00 0.00 72.50 70.15 2oqf s THR 100 CO 0.11 -0.09 1.02 -1.58 -0.69 0.00 0.00 174.62 173.38 2oqf s GLN 101 N 1.20 4.70 0.24 4.92 2.00 -1.26 -1.04 119.66 130.41 2oqf s GLN 101 Ca -0.07 1.59 -0.08 0.00 -2.00 0.00 0.00 55.36 54.80 2oqf s GLN 101 Cb -0.20 -3.30 -0.02 0.00 0.80 0.00 0.00 33.01 30.30 2oqf s GLN 101 CO -0.06 0.24 0.36 0.00 -0.50 0.00 0.00 175.29 175.33 2oqf s ALA 102 N -0.48 0.28 -0.29 1.58 0.00 0.50 -4.97 121.76 118.39 2oqf s ALA 102 Ca 0.46 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2oqf s ALA 102 Cb -0.27 1.18 0.08 0.00 0.00 0.00 0.00 23.12 24.12 2oqf s ALA 102 CO 0.33 -0.76 0.01 -0.80 0.00 0.00 0.00 175.76 174.54 2oqf s ASN 103 N -3.08 4.27 0.15 0.00 -0.87 -1.26 -0.84 114.94 113.31 2oqf s ASN 103 Ca 0.28 -1.65 0.04 0.00 -1.57 0.00 0.00 52.86 49.97 2oqf s ASN 103 Cb 0.02 -1.31 -0.04 0.00 -0.02 0.00 0.00 41.25 39.90 2oqf s ASN 103 CO 0.11 -0.32 -0.09 -0.54 -2.57 0.00 0.00 177.10 173.69 2oqf s LYS 104 N 1.24 1.06 0.29 -0.60 3.01 -0.59 -4.78 119.74 119.36 2oqf s LYS 104 Ca 0.03 -1.46 -0.29 0.00 -1.01 0.00 0.00 55.97 53.24 2oqf s LYS 104 Cb -0.19 -0.56 -0.10 0.00 -1.01 0.00 0.00 37.83 35.98 2oqf s LYS 104 CO -0.11 0.04 1.13 -1.01 0.51 0.00 0.00 175.35 175.91 2oqf s HIS 105 N -3.38 3.50 0.05 3.18 3.76 -1.26 0.80 115.29 121.94 2oqf s HIS 105 Ca 0.17 1.66 0.00 0.00 -0.15 0.00 0.00 55.06 56.75 2oqf s HIS 105 Cb 0.03 -3.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.34 2oqf s HIS 105 CO 0.01 -0.74 0.16 0.96 -0.85 0.00 0.00 174.74 174.28 2oqf s ILE 106 N -1.16 5.11 -0.22 0.60 -4.36 -1.26 -2.18 121.20 117.74 2oqf s ILE 106 Ca 0.45 -0.45 0.01 0.00 -0.26 0.00 0.00 60.65 60.40 2oqf s ILE 106 Cb -0.33 -3.46 0.05 0.00 1.25 0.00 0.00 42.46 39.97 2oqf s ILE 106 CO 0.43 0.18 -0.08 -0.63 0.24 0.00 0.00 174.94 175.08 2oqf s ILE 107 N -1.42 1.62 0.07 8.37 1.01 -0.54 -1.36 121.20 128.95 2oqf s ILE 107 Ca 0.31 -1.14 0.10 0.00 0.00 0.00 0.00 60.65 59.92 2oqf s ILE 107 Cb -0.13 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 2oqf s ILE 107 CO 0.24 0.03 -0.26 0.68 0.00 0.00 0.00 174.94 175.63 2oqf s VAL 108 N 1.38 2.22 0.03 2.92 -7.23 -0.91 0.07 120.40 118.88 2oqf s VAL 108 Ca -0.04 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.44 2oqf s VAL 108 Cb -0.18 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.81 2oqf s VAL 108 CO -0.07 0.29 0.64 0.00 -0.31 0.00 0.00 175.10 175.66 2oqf s ALA 109 N -0.88 3.47 0.18 1.32 0.00 0.23 -1.64 121.76 124.43 2oqf s ALA 109 Ca 0.13 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.28 2oqf s ALA 109 Cb -0.10 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2oqf s ALA 109 CO 0.03 0.18 -0.03 0.00 0.00 0.00 0.00 175.76 175.94 2oqf s GLU 111 N -2.91 0.62 0.00 0.00 2.12 -0.52 -4.88 118.70 113.13 2oqf s GLU 111 Ca 0.27 0.55 0.00 0.00 0.36 0.00 0.00 54.97 56.14 2oqf s GLU 111 Cb -0.09 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.60 2oqf s GLU 111 CO 0.17 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 2oqf n GLY 112 N 1.89 -1.78 2.96 -1.50 0.00 -1.26 -2.86 105.19 102.64 2oqf n GLY 112 Ca -0.13 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.04 0.00 0.57 1.61 3.04 -1.26 -3.31 114.94 112.56 2oqf s ASN 113 Ca 0.00 -0.11 -0.20 0.00 0.04 0.00 0.00 52.86 52.59 2oqf s ASN 113 Cb 0.00 1.29 -0.04 0.00 -1.54 0.00 0.00 41.25 40.95 2oqf s ASN 113 CO 0.00 -0.33 1.23 -0.81 -3.04 0.00 0.00 177.10 174.15 2oqf n PRO 114 N 5.37 1.36 -2.78 0.43 -0.04 -1.26 -5.10 135.00 132.97 2oqf n PRO 114 Ca 0.00 0.51 -0.43 0.00 -0.04 0.00 0.00 63.50 63.55 2oqf n PRO 114 Cb 0.50 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 2oqf n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2oqf s TYR 115 N -1.36 2.60 0.24 0.54 5.04 -1.21 -4.90 117.35 118.31 2oqf s TYR 115 Ca 0.74 -0.34 0.05 0.00 -2.44 0.00 0.00 57.07 55.08 2oqf s TYR 115 Cb -0.42 -4.34 -0.05 0.00 0.35 0.00 0.00 41.96 37.50 2oqf s TYR 115 CO 0.47 -1.70 -0.03 0.14 -1.34 0.00 0.00 175.55 173.09 2oqf s VAL 116 N 4.45 1.27 0.12 3.14 -7.23 -1.13 -4.83 120.40 116.18 2oqf s VAL 116 Ca 0.27 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 2oqf s VAL 116 Cb -0.14 -2.34 -0.10 0.00 0.56 0.00 0.00 36.38 34.36 2oqf s VAL 116 CO 0.13 -0.35 1.73 -2.84 -0.31 0.00 0.00 175.10 173.46 2oqf s PRO 117 N -3.80 4.16 0.00 4.82 0.02 -1.26 -1.44 135.00 137.50 2oqf s PRO 117 Ca 0.28 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.79 2oqf s PRO 117 Cb 0.05 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 31.10 2oqf s PRO 117 CO 0.09 -0.77 0.54 1.33 -0.33 0.00 0.00 177.00 177.86 2oqf n VAL 118 N 4.54 0.17 -3.65 3.83 0.24 -0.44 -4.61 118.33 118.41 2oqf n VAL 118 Ca 0.16 -0.53 -0.05 0.00 -2.04 0.00 0.00 64.34 61.88 2oqf n VAL 118 Cb 0.38 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.70 2oqf n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2oqf s HIS 119 N -0.17 -1.11 -0.38 6.34 3.76 -1.16 -4.69 115.29 117.88 2oqf s HIS 119 Ca 0.00 2.12 -0.24 0.00 -0.15 0.00 0.00 55.06 56.79 2oqf s HIS 119 Cb 0.00 0.65 0.01 0.00 1.11 0.00 0.00 32.58 34.36 2oqf s HIS 119 CO 0.00 -0.56 0.84 0.12 -0.85 0.00 0.00 174.74 174.29 2oqf s PHE 120 N 2.04 3.08 -0.17 1.40 2.19 -1.26 -0.60 117.98 124.66 2oqf s PHE 120 Ca -0.08 0.59 -0.23 0.00 0.33 0.00 0.00 56.93 57.54 2oqf s PHE 120 Cb -0.08 -3.54 -0.20 0.00 -1.31 0.00 0.00 43.02 37.90 2oqf s PHE 120 CO -0.19 -0.81 0.41 0.22 1.83 0.00 0.00 175.22 176.69 2oqf h ASP 121 N 8.55 0.00 -2.48 6.13 3.58 -0.70 -3.47 116.42 128.04 2oqf h ASP 121 Ca -0.24 -0.65 0.14 0.00 0.42 0.00 0.00 57.03 56.70 2oqf h ASP 121 Cb 1.09 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 2oqf h ASP 121 CO 0.95 1.18 0.54 0.00 -2.88 0.00 0.00 179.24 179.03 2oqf n ALA 122 N -3.05 -2.50 -2.51 -0.78 0.00 -0.90 -4.99 120.51 105.77 2oqf n ALA 122 Ca -0.19 -0.99 -0.24 0.00 0.00 0.00 0.00 53.44 52.01 2oqf n ALA 122 Cb 0.53 0.57 -0.15 0.00 0.00 0.00 0.00 19.45 20.40 2oqf n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2oqf s SER 123 N -3.30 2.10 0.00 0.00 1.04 -1.26 -1.47 113.70 110.81 2oqf s SER 123 Ca 0.21 -0.37 0.27 0.00 0.48 0.00 0.00 55.95 56.54 2oqf s SER 123 Cb -0.03 -0.21 0.87 0.00 0.10 0.00 0.00 66.02 66.75 2oqf s SER 123 CO 0.06 0.19 1.64 0.52 0.98 0.00 0.00 173.24 176.63