#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 1.64 -2.14 1.64 2.13 -1.26 -4.97 120.64 117.68 2oqf n GLU 2 Ca 0.00 0.58 -0.33 0.00 0.66 0.00 0.00 57.16 58.07 2oqf n GLU 2 Cb 0.00 -2.16 0.01 0.00 0.27 0.00 0.00 31.44 29.55 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 -0.15 3.58 0.36 6.31 -4.23 -1.26 -4.88 115.64 115.36 2oqf s THR 3 Ca 0.70 0.83 0.07 0.00 -1.18 0.00 0.00 61.69 62.11 2oqf s THR 3 Cb -0.74 -3.32 0.30 0.00 1.34 0.00 0.00 72.50 70.08 2oqf s THR 3 CO 0.51 -0.35 1.93 0.00 -0.54 0.00 0.00 174.62 176.17 2oqf h ALA 4 N 0.74 1.74 -0.34 3.99 0.00 -1.94 -1.07 119.26 122.37 2oqf h ALA 4 Ca -0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2oqf h ALA 4 Cb 1.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2oqf h ALA 4 CO 0.57 0.12 0.08 0.00 0.00 0.00 0.00 179.25 180.02 2oqf h ALA 5 N 1.60 0.45 -0.22 0.00 0.00 -1.90 -1.49 119.26 117.70 2oqf h ALA 5 Ca 0.35 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2oqf h ALA 5 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2oqf h ALA 5 CO -0.13 0.12 -0.50 0.00 0.00 0.00 0.00 179.25 178.74 2oqf h ALA 6 N 0.92 0.72 -0.43 0.00 0.00 -1.80 -1.50 119.26 117.17 2oqf h ALA 6 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2oqf h ALA 6 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2oqf h ALA 6 CO 0.00 0.67 0.28 -0.22 0.00 0.00 0.00 179.25 179.99 2oqf h LYS 7 N 0.48 0.57 -0.89 0.00 3.64 -1.17 0.14 116.57 119.33 2oqf h LYS 7 Ca 0.02 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2oqf h LYS 7 Cb 1.03 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 2oqf h LYS 7 CO 0.10 0.38 0.59 0.35 -2.27 0.00 0.00 179.45 178.59 2oqf h PHE 8 N 0.58 1.09 -0.38 1.91 3.04 -1.07 -0.42 116.94 121.69 2oqf h PHE 8 Ca 0.16 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.99 2oqf h PHE 8 Cb -0.06 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.07 2oqf h PHE 8 CO -0.04 0.65 -0.33 0.93 -2.02 0.00 0.00 178.31 177.50 2oqf h GLU 9 N 1.14 0.86 -0.31 1.11 5.08 -0.68 -1.24 114.58 120.56 2oqf h GLU 9 Ca 0.35 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2oqf h GLU 9 Cb -0.03 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2oqf h GLU 9 CO -0.10 1.06 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.70 2oqf h ARG 10 N 0.72 0.67 0.00 2.33 2.43 -0.46 -2.88 114.38 117.20 2oqf h ARG 10 Ca 0.07 -0.31 -0.19 0.00 -0.81 0.00 0.00 59.98 58.75 2oqf h ARG 10 Cb 0.89 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 2oqf h ARG 10 CO 0.08 0.91 -0.89 1.96 -1.51 0.00 0.00 179.97 180.51 2oqf h GLN 11 N 0.43 0.00 0.00 0.20 4.20 -1.05 -3.42 115.11 115.47 2oqf h GLN 11 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2oqf h GLN 11 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2oqf h GLN 11 CO 0.05 0.89 -0.11 0.72 -0.67 0.00 0.00 178.83 179.72 2oqf n HIS 12 N -3.33 0.00 -3.45 2.96 8.25 -0.47 -4.67 115.22 114.51 2oqf n HIS 12 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2oqf n HIS 12 Cb 0.89 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.93 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 -0.50 4.19 -0.39 -0.41 -1.94 -1.09 -0.03 119.30 119.14 2oqf s MET 13 Ca 0.00 0.14 0.09 0.00 -1.71 0.00 0.00 55.69 54.21 2oqf s MET 13 Cb 0.00 -3.50 0.28 0.00 2.01 0.00 0.00 34.83 33.62 2oqf s MET 13 CO 0.00 0.05 0.59 -3.47 -0.01 0.00 0.00 175.02 172.18 2oqf n ASP 14 N 4.18 0.33 0.10 3.03 2.03 -0.53 -4.86 116.55 120.84 2oqf n ASP 14 Ca -0.10 -2.80 -0.02 0.00 0.52 0.00 0.00 54.79 52.39 2oqf n ASP 14 Cb 0.51 -0.60 0.21 0.00 -0.72 0.00 0.00 41.12 40.52 2oqf n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2oqf h SER 15 N 3.70 0.22 0.36 1.67 0.02 -1.71 -3.15 113.55 114.65 2oqf h SER 15 Ca 0.08 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2oqf h SER 15 Cb 0.91 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2oqf h SER 15 CO 0.47 0.65 0.00 -1.54 -1.14 0.00 0.00 176.83 175.27 2oqf n SER 16 N -3.99 0.00 -4.05 3.07 3.41 -1.26 -4.33 113.62 106.47 2oqf n SER 16 Ca -0.02 0.05 -0.29 0.00 -0.26 0.00 0.00 58.87 58.35 2oqf n SER 16 Cb 0.50 -0.30 -0.17 0.00 -0.26 0.00 0.00 64.21 63.99 2oqf n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2oqf s THR 17 N -2.60 1.56 0.47 6.66 -4.23 -1.19 -5.03 115.64 111.29 2oqf s THR 17 Ca 0.17 -0.66 0.36 0.00 -1.18 0.00 0.00 61.69 60.37 2oqf s THR 17 Cb 0.12 -1.44 0.38 0.00 1.34 0.00 0.00 72.50 72.90 2oqf s THR 17 CO 0.28 0.46 2.20 0.77 -0.54 0.00 0.00 174.62 177.78 2oqf h SER 18 N 7.65 0.00 -4.45 3.99 4.64 -1.84 -3.44 113.55 120.10 2oqf h SER 18 Ca -0.34 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.12 2oqf h SER 18 Cb 1.16 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 2oqf h SER 18 CO 0.51 0.04 0.58 0.00 -0.87 0.00 0.00 176.83 177.09 2oqf s ALA 19 N -4.13 -1.90 -0.25 5.18 0.00 -1.26 -4.81 121.76 114.58 2oqf s ALA 19 Ca -0.03 1.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 2oqf s ALA 19 Cb 0.13 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.35 2oqf s ALA 19 CO 0.51 -0.60 1.01 0.00 0.00 0.00 0.00 175.76 176.68 2oqf s ALA 20 N -2.62 3.64 -0.16 0.00 0.00 -1.26 -4.93 121.76 116.44 2oqf s ALA 20 Ca 0.05 0.07 0.22 0.00 0.00 0.00 0.00 51.96 52.30 2oqf s ALA 20 Cb -0.01 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 2oqf s ALA 20 CO -0.06 -1.13 0.81 0.43 0.00 0.00 0.00 175.76 175.81 2oqf n SER 21 N 6.39 0.54 -4.61 0.00 7.64 -1.26 -4.87 113.62 117.45 2oqf n SER 21 Ca 0.11 0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.91 2oqf n SER 21 Cb 0.46 0.97 -0.09 0.00 -1.01 0.00 0.00 64.21 64.54 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 -5.11 4.56 0.47 6.43 0.15 -1.26 -5.01 113.70 113.93 2oqf s SER 22 Ca -0.03 -0.35 0.22 0.00 0.70 0.00 0.00 55.95 56.48 2oqf s SER 22 Cb 0.11 -0.92 1.19 0.00 -1.71 0.00 0.00 66.02 64.68 2oqf s SER 22 CO 0.83 0.17 1.99 0.77 1.20 0.00 0.00 173.24 178.20 2oqf h SER 23 N 3.46 0.00 -0.24 5.45 4.64 -1.93 -2.98 113.55 121.94 2oqf h SER 23 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2oqf h SER 23 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2oqf h SER 23 CO 0.54 0.19 0.00 0.59 -0.87 0.00 0.00 176.83 177.28 2oqf n ASN 24 N -3.83 1.89 -0.27 4.97 3.02 -1.26 -4.09 115.26 115.68 2oqf n ASN 24 Ca -0.02 -1.81 0.05 0.00 -0.03 0.00 0.00 54.58 52.78 2oqf n ASN 24 Cb 0.29 -0.16 0.19 0.00 -0.61 0.00 0.00 39.78 39.50 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 2.37 0.68 -0.44 3.10 5.03 -1.92 -2.11 116.97 123.67 2oqf h TYR 25 Ca 0.00 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.23 2oqf h TYR 25 Cb 0.53 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 2oqf h TYR 25 CO 0.16 0.17 -0.17 0.00 -1.32 0.00 0.00 178.16 176.99 2oqf h ASN 27 N 0.72 -0.06 0.43 0.00 2.35 -1.69 0.84 115.58 118.16 2oqf h ASN 27 Ca 0.10 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2oqf h ASN 27 Cb 0.73 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.22 2oqf h ASN 27 CO 0.06 0.01 -0.21 -0.61 -1.65 0.00 0.00 177.43 175.03 2oqf h GLN 28 N 0.17 -0.55 -0.38 0.81 5.75 -1.31 -3.08 115.11 116.52 2oqf h GLN 28 Ca 0.20 0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.62 2oqf h GLN 28 Cb 0.26 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 2oqf h GLN 28 CO -0.29 -0.25 -0.25 0.52 -2.65 0.00 0.00 178.83 175.90 2oqf h MET 29 N -0.86 0.77 0.00 1.69 2.86 -0.99 -1.53 114.93 116.87 2oqf h MET 29 Ca -0.06 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.19 2oqf h MET 29 Cb 0.56 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2oqf h MET 29 CO 0.10 0.94 -0.31 0.52 1.06 0.00 0.00 176.91 179.22 2oqf h MET 30 N 0.66 0.00 0.02 1.72 2.86 -0.95 -2.01 114.93 117.24 2oqf h MET 30 Ca 0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2oqf h MET 30 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2oqf h MET 30 CO 0.06 0.31 -0.01 -0.22 1.06 0.00 0.00 176.91 178.11 2oqf h LYS 31 N 0.00 -0.03 0.00 1.72 3.64 -1.35 -0.95 116.57 119.61 2oqf h LYS 31 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2oqf h LYS 31 Cb 0.58 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2oqf h LYS 31 CO 0.04 0.70 0.00 0.66 -2.27 0.00 0.00 179.45 178.58 2oqf h SER 32 N -0.83 0.00 -0.56 4.20 4.64 -1.24 -2.19 113.55 117.57 2oqf h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oqf h SER 32 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2oqf h SER 32 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 2oqf n ARG 33 N -2.48 3.46 -3.36 4.77 5.12 -0.76 -4.95 116.66 118.46 2oqf n ARG 33 Ca 0.03 -2.50 -0.23 0.00 -1.93 0.00 0.00 57.85 53.21 2oqf n ARG 33 Cb 0.32 -1.84 0.06 0.00 -1.16 0.00 0.00 32.46 29.84 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 0.93 -6.30 -0.80 0.55 3.02 -0.82 -4.83 115.26 107.00 2oqf n ASN 34 Ca 0.23 -0.44 0.11 0.00 -0.03 0.00 0.00 54.58 54.45 2oqf n ASN 34 Cb 0.81 -5.00 0.07 0.00 -0.61 0.00 0.00 39.78 35.06 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 -4.61 2.67 -0.48 3.41 4.77 -0.37 -4.21 117.00 118.18 2oqf n LEU 35 Ca -0.04 -0.96 0.07 0.00 -0.03 0.00 0.00 56.01 55.05 2oqf n LEU 35 Cb 0.58 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.86 2oqf n LEU 35 CO 0.58 0.46 0.48 0.35 -1.33 0.00 0.00 177.39 177.93 2oqf n THR 36 N 1.01 2.13 0.14 -5.08 -2.24 -1.16 -2.08 114.28 107.01 2oqf n THR 36 Ca 0.12 -2.79 -0.06 0.00 -2.27 0.00 0.00 64.05 59.05 2oqf n THR 36 Cb 0.53 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.68 -0.38 0.00 -0.78 1.79 -1.90 -3.37 116.57 112.61 2oqf h LYS 37 Ca 0.02 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2oqf h LYS 37 Cb 1.08 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2oqf h LYS 37 CO 0.05 -0.26 -1.06 -0.25 -1.08 0.00 0.00 179.45 176.85 2oqf n ASP 38 N -3.74 0.88 -3.49 0.86 8.00 -1.26 -5.00 116.55 112.79 2oqf n ASP 38 Ca -0.05 -0.87 -0.15 0.00 0.71 0.00 0.00 54.79 54.43 2oqf n ASP 38 Cb 0.16 1.10 -0.04 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 -2.96 1.14 -0.32 -1.24 3.52 -1.26 -5.09 118.95 112.73 2oqf s ARG 39 Ca 0.06 -0.10 -0.29 0.00 -0.13 0.00 0.00 55.73 55.27 2oqf s ARG 39 Cb 0.15 0.53 0.01 0.00 -1.56 0.00 0.00 34.95 34.08 2oqf s ARG 39 CO 0.83 -0.42 1.12 0.00 -0.81 0.00 0.00 175.30 176.03 2oqf s LYS 41 N 3.79 3.63 0.43 0.00 2.20 -0.88 -4.90 119.74 124.00 2oqf s LYS 41 Ca 0.48 1.72 0.16 0.00 -0.36 0.00 0.00 55.97 57.96 2oqf s LYS 41 Cb -0.13 -4.13 0.95 0.00 -1.51 0.00 0.00 37.83 33.01 2oqf s LYS 41 CO 0.18 -1.51 1.93 -1.35 -0.36 0.00 0.00 175.35 174.24 2oqf h PRO 42 N 11.78 0.00 -3.22 4.03 0.11 -1.94 -3.43 132.00 139.33 2oqf h PRO 42 Ca -0.36 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.51 2oqf h PRO 42 Cb 1.17 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.97 2oqf h PRO 42 CO 1.00 0.25 -0.58 0.08 -0.21 0.00 0.00 178.00 178.54 2oqf s VAL 43 N -4.37 -0.05 0.04 3.15 1.01 -1.26 -1.00 120.40 117.91 2oqf s VAL 43 Ca -0.03 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 2oqf s VAL 43 Cb 0.15 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.30 2oqf s VAL 43 CO 0.69 0.07 0.40 0.21 0.00 0.00 0.00 175.10 176.47 2oqf s ASN 44 N 1.22 -0.27 -0.04 3.32 2.47 -0.64 -5.02 114.94 115.98 2oqf s ASN 44 Ca -0.09 -0.00 0.01 0.00 0.42 0.00 0.00 52.86 53.20 2oqf s ASN 44 Cb -0.11 0.41 0.02 0.00 -1.45 0.00 0.00 41.25 40.12 2oqf s ASN 44 CO -0.06 -0.64 -0.03 -0.89 -3.72 0.00 0.00 177.10 171.76 2oqf s THR 45 N -2.37 0.37 -0.08 -5.21 2.01 -1.26 0.25 115.64 109.35 2oqf s THR 45 Ca -0.06 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 2oqf s THR 45 Cb -0.01 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 2oqf s THR 45 CO -0.02 0.19 0.12 -0.36 -0.69 0.00 0.00 174.62 173.86 2oqf s PHE 46 N 0.92 3.48 -0.16 4.92 0.40 -0.18 -4.41 117.98 122.95 2oqf s PHE 46 Ca -0.11 0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.62 2oqf s PHE 46 Cb -0.14 -1.87 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 2oqf s PHE 46 CO -0.01 0.66 -0.12 0.08 0.70 0.00 0.00 175.22 176.53 2oqf s VAL 47 N -1.08 3.02 -1.02 -0.44 1.01 0.96 -1.49 120.40 121.36 2oqf s VAL 47 Ca 0.18 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2oqf s VAL 47 Cb -0.12 -2.29 0.31 0.00 0.00 0.00 0.00 36.38 34.28 2oqf s VAL 47 CO 0.07 0.50 1.53 1.41 0.00 0.00 0.00 175.10 178.62 2oqf n HIS 48 N 3.92 2.52 -4.26 5.22 8.25 -0.12 -1.45 115.22 129.32 2oqf n HIS 48 Ca -0.18 -2.70 -0.16 0.00 -0.26 0.00 0.00 57.72 54.42 2oqf n HIS 48 Cb 0.52 -1.17 -0.09 0.00 1.12 0.00 0.00 29.99 30.37 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 -3.28 1.48 0.65 -0.41 0.41 -1.26 -4.52 118.70 111.76 2oqf s GLU 49 Ca 0.35 -1.83 -0.14 0.00 -0.41 0.00 0.00 54.97 52.94 2oqf s GLU 49 Cb 0.11 0.22 -0.01 0.00 -1.78 0.00 0.00 34.13 32.67 2oqf s GLU 49 CO 0.02 -0.50 1.08 -1.54 -0.49 0.00 0.00 175.26 173.83 2oqf s SER 50 N -3.28 5.38 0.25 -0.19 1.04 -1.26 -4.06 113.70 111.59 2oqf s SER 50 Ca 0.39 1.85 -0.05 0.00 0.48 0.00 0.00 55.95 58.62 2oqf s SER 50 Cb 0.05 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 63.94 2oqf s SER 50 CO 0.19 -1.44 1.91 0.25 0.98 0.00 0.00 173.24 175.13 2oqf h LEU 51 N -0.01 1.08 -0.67 2.42 5.85 -1.99 -2.18 115.31 119.81 2oqf h LEU 51 Ca -0.46 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 2oqf h LEU 51 Cb 1.23 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 2oqf h LEU 51 CO 0.56 0.75 0.17 0.00 -0.34 0.00 0.00 178.44 179.58 2oqf h ALA 52 N 1.39 0.89 -0.02 1.25 0.00 -1.98 0.44 119.26 121.23 2oqf h ALA 52 Ca 0.38 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2oqf h ALA 52 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2oqf h ALA 52 CO -0.11 0.60 -0.05 -0.44 0.00 0.00 0.00 179.25 179.24 2oqf h ASP 53 N 1.00 -0.15 -0.51 0.00 5.19 -1.87 -0.42 116.42 119.66 2oqf h ASP 53 Ca 0.21 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.57 2oqf h ASP 53 Cb 0.35 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 2oqf h ASP 53 CO 0.00 -0.08 0.03 0.58 -3.12 0.00 0.00 179.24 176.65 2oqf h VAL 54 N -0.08 1.25 -0.09 -1.35 2.07 -1.09 -2.75 116.25 114.21 2oqf h VAL 54 Ca 0.03 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.38 2oqf h VAL 54 Cb 0.12 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2oqf h VAL 54 CO -0.07 0.38 -0.49 1.56 0.02 0.00 0.00 177.57 178.97 2oqf h GLN 55 N 0.87 0.22 -0.10 1.57 4.20 -0.77 -2.64 115.11 118.46 2oqf h GLN 55 Ca 0.17 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.78 2oqf h GLN 55 Cb 0.47 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2oqf h GLN 55 CO 0.02 0.66 0.12 0.00 -0.67 0.00 0.00 178.83 178.96 2oqf h ALA 56 N 1.32 1.65 -0.26 3.87 0.00 -0.76 -2.55 119.26 122.53 2oqf h ALA 56 Ca 0.01 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2oqf h ALA 56 Cb 0.93 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2oqf h ALA 56 CO 0.07 -0.17 0.19 0.28 0.00 0.00 0.00 179.25 179.63 2oqf h VAL 57 N 0.00 0.81 0.00 0.00 2.07 -1.45 -2.10 116.25 115.59 2oqf h VAL 57 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2oqf h VAL 57 Cb 0.28 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 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 -1.67 3.94 0.00 0.00 3.41 -0.79 -4.99 113.62 113.53 2oqf n SER 59 Ca 0.02 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 2oqf n SER 59 Cb 0.15 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 0.17 1.10 -2.40 4.33 6.02 -0.45 -4.98 117.38 121.17 2oqf n GLN 60 Ca 0.20 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 2oqf n GLN 60 Cb 0.79 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.03 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 4.37 3.41 -0.01 -1.09 2.47 -1.12 -4.87 119.74 122.89 2oqf s LYS 61 Ca 0.00 0.59 -0.30 0.00 -1.56 0.00 0.00 55.97 54.70 2oqf s LYS 61 Cb 0.00 -4.08 -0.06 0.00 -1.46 0.00 0.00 37.83 32.23 2oqf s LYS 61 CO 0.00 -1.80 1.57 1.21 0.16 0.00 0.00 175.35 176.49 2oqf s ASN 62 N 4.14 6.71 0.17 1.43 2.47 -1.26 -0.40 114.94 128.21 2oqf s ASN 62 Ca 0.54 2.25 -0.01 0.00 0.42 0.00 0.00 52.86 56.07 2oqf s ASN 62 Cb -0.11 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.10 2oqf s ASN 62 CO 0.28 -0.85 0.09 0.68 -3.72 0.00 0.00 177.10 173.58 2oqf s VAL 63 N 3.12 0.10 0.31 -5.21 -7.23 -0.34 -4.94 120.40 106.21 2oqf s VAL 63 Ca 0.70 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.63 2oqf s VAL 63 Cb -0.34 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 2oqf s VAL 63 CO 0.29 -0.22 1.09 0.00 -0.31 0.00 0.00 175.10 175.95 2oqf s ALA 64 N -4.07 3.33 0.67 1.32 0.00 -1.26 -3.00 121.76 118.75 2oqf s ALA 64 Ca 0.32 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 2oqf s ALA 64 Cb 0.07 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 2oqf s ALA 64 CO 0.07 -0.18 1.06 0.00 0.00 0.00 0.00 175.76 176.71 2oqf h LYS 66 N -0.51 0.99 0.00 0.00 1.57 -1.97 -1.04 116.57 115.60 2oqf h LYS 66 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2oqf h LYS 66 Cb 1.23 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2oqf h LYS 66 CO 0.63 0.65 0.00 0.27 -0.57 0.00 0.00 179.45 180.43 2oqf n ASN 67 N -4.49 0.00 0.00 0.86 0.23 -1.26 -4.85 115.26 105.75 2oqf n ASN 67 Ca 0.14 -0.59 0.00 0.00 -0.53 0.00 0.00 54.58 53.60 2oqf n ASN 67 Cb 0.20 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 2oqf n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2oqf n GLY 68 N -0.09 1.23 3.84 4.83 0.00 -0.40 -5.05 105.19 109.56 2oqf n GLY 68 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.53 4.02 -0.44 1.61 -0.21 -1.26 -4.75 119.66 118.10 2oqf s GLN 69 Ca 0.00 0.59 -0.17 0.00 0.02 0.00 0.00 55.36 55.81 2oqf s GLN 69 Cb 0.00 -2.73 0.03 0.00 1.00 0.00 0.00 33.01 31.31 2oqf s GLN 69 CO 0.00 0.34 0.42 0.95 -2.12 0.00 0.00 175.29 174.88 2oqf s THR 70 N -1.69 5.13 0.54 -0.19 -4.23 -1.26 1.00 115.64 114.94 2oqf s THR 70 Ca 0.45 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2oqf s THR 70 Cb -0.13 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.65 2oqf s THR 70 CO 0.20 -0.46 0.00 0.00 -0.54 0.00 0.00 174.62 173.81 2oqf s TYR 73 N -4.89 0.40 -0.19 0.00 1.51 0.37 -1.19 117.35 113.35 2oqf s TYR 73 Ca 0.00 -0.06 -0.10 0.00 -1.01 0.00 0.00 57.07 55.90 2oqf s TYR 73 Cb 0.00 -0.37 -0.05 0.00 -0.11 0.00 0.00 41.96 41.43 2oqf s TYR 73 CO 0.00 -0.09 0.13 -1.14 -1.11 0.00 0.00 175.55 173.35 2oqf s GLN 74 N 0.55 4.12 0.27 -0.62 0.74 0.47 -1.71 119.66 123.47 2oqf s GLN 74 Ca -0.06 -0.21 -0.30 0.00 0.05 0.00 0.00 55.36 54.85 2oqf s GLN 74 Cb -0.09 -3.40 -0.10 0.00 1.10 0.00 0.00 33.01 30.52 2oqf s GLN 74 CO -0.01 0.34 1.42 -1.54 -0.55 0.00 0.00 175.29 174.95 2oqf s SER 75 N 0.24 6.66 0.47 6.67 1.04 -0.17 -2.81 113.70 125.79 2oqf s SER 75 Ca 0.09 2.69 0.14 0.00 0.48 0.00 0.00 55.95 59.34 2oqf s SER 75 Cb -0.11 -2.63 1.07 0.00 0.10 0.00 0.00 66.02 64.45 2oqf s SER 75 CO -0.01 -0.68 2.05 1.88 0.98 0.00 0.00 173.24 177.45 2oqf h TYR 76 N 4.69 0.06 -2.21 5.02 0.05 -1.94 -3.44 116.97 119.20 2oqf h TYR 76 Ca -0.47 -0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.72 2oqf h TYR 76 Cb 1.22 -0.02 -0.14 0.00 1.01 0.00 0.00 36.73 38.80 2oqf h TYR 76 CO 0.59 0.14 -0.73 -1.54 -1.05 0.00 0.00 178.16 175.57 2oqf s SER 77 N -6.99 3.51 0.67 3.88 1.04 -1.26 -5.09 113.70 109.46 2oqf s SER 77 Ca -0.05 -1.08 -0.13 0.00 0.48 0.00 0.00 55.95 55.17 2oqf s SER 77 Cb 0.16 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2oqf s SER 77 CO 0.69 -0.05 1.08 0.42 0.98 0.00 0.00 173.24 176.36 2oqf s THR 78 N -2.59 3.59 0.05 2.02 -4.23 -1.26 -4.54 115.64 108.68 2oqf s THR 78 Ca 0.30 0.64 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 2oqf s THR 78 Cb -0.02 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 2oqf s THR 78 CO 0.15 -0.55 -0.07 -0.04 -0.54 0.00 0.00 174.62 173.56 2oqf s MET 79 N -4.47 0.55 -0.15 3.99 -1.94 -0.07 -4.84 119.30 112.37 2oqf s MET 79 Ca 0.63 -0.82 -0.29 0.00 -1.71 0.00 0.00 55.69 53.49 2oqf s MET 79 Cb -0.17 -0.23 -0.03 0.00 2.01 0.00 0.00 34.83 36.40 2oqf s MET 79 CO 0.46 0.03 1.53 0.45 -0.01 0.00 0.00 175.02 177.48 2oqf s SER 80 N -1.78 6.64 0.16 3.03 0.15 -1.26 -1.67 113.70 118.96 2oqf s SER 80 Ca -0.08 1.84 0.03 0.00 0.70 0.00 0.00 55.95 58.45 2oqf s SER 80 Cb -0.08 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 2oqf s SER 80 CO -0.01 -1.00 -0.06 0.27 1.20 0.00 0.00 173.24 173.64 2oqf s ILE 81 N 4.31 0.96 -0.13 6.45 -4.36 0.11 -0.94 121.20 127.60 2oqf s ILE 81 Ca 0.67 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 59.04 2oqf s ILE 81 Cb -0.27 -1.95 0.03 0.00 1.25 0.00 0.00 42.46 41.53 2oqf s ILE 81 CO 0.25 -0.65 -0.04 -0.89 0.24 0.00 0.00 174.94 173.86 2oqf s THR 82 N -3.46 0.82 0.03 8.37 2.01 -0.55 -0.59 115.64 122.27 2oqf s THR 82 Ca 0.19 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 2oqf s THR 82 Cb 0.04 -0.98 -0.06 0.00 0.01 0.00 0.00 72.50 71.51 2oqf s THR 82 CO 0.01 0.20 0.53 0.00 -0.69 0.00 0.00 174.62 174.68 2oqf s ALA 83 N 1.77 3.59 -0.17 7.40 0.00 -0.41 -1.01 121.76 132.93 2oqf s ALA 83 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.95 2oqf s ALA 83 Cb -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2oqf s ALA 83 CO -0.07 0.36 -0.15 0.00 0.00 0.00 0.00 175.76 175.90 2oqf s ARG 85 N 1.05 2.04 0.18 0.00 3.52 -1.08 -1.62 118.95 123.04 2oqf s ARG 85 Ca -0.01 -0.49 -0.33 0.00 -0.13 0.00 0.00 55.73 54.77 2oqf s ARG 85 Cb -0.15 -1.78 -0.14 0.00 -1.56 0.00 0.00 34.95 31.33 2oqf s ARG 85 CO -0.04 -0.09 1.57 -1.91 -0.81 0.00 0.00 175.30 174.02 2oqf n GLU 86 N 4.27 2.21 -1.90 5.12 2.13 -0.17 -0.89 120.64 131.41 2oqf n GLU 86 Ca -0.19 0.80 -0.30 0.00 0.66 0.00 0.00 57.16 58.14 2oqf n GLU 86 Cb 0.51 -2.56 0.16 0.00 0.27 0.00 0.00 31.44 29.82 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 0.78 1.99 0.23 6.31 -4.23 -0.98 -4.86 115.64 114.88 2oqf s THR 87 Ca 0.77 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.25 2oqf s THR 87 Cb -0.65 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.23 2oqf s THR 87 CO 0.39 0.00 1.63 1.23 -0.54 0.00 0.00 174.62 177.33 2oqf h GLY 88 N -1.48 0.71 -3.46 3.99 0.00 -1.94 -3.17 103.07 97.72 2oqf h GLY 88 Ca -0.45 -0.63 -0.38 0.00 0.00 0.00 0.00 47.33 45.87 2oqf h GLY 88 CO 0.47 0.58 0.49 -1.14 0.00 0.00 0.00 176.54 176.93 2oqf n SER 89 N -4.09 5.31 -4.53 0.19 3.41 -1.26 -4.89 113.62 107.77 2oqf n SER 89 Ca -0.01 -3.15 -0.36 0.00 -0.26 0.00 0.00 58.87 55.09 2oqf n SER 89 Cb 0.46 -0.89 -0.11 0.00 -0.26 0.00 0.00 64.21 63.40 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 -0.42 5.35 -0.08 4.04 0.15 -1.20 -4.87 113.70 116.67 2oqf s SER 90 Ca 0.38 -0.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.95 2oqf s SER 90 Cb 0.31 -1.94 0.02 0.00 -1.71 0.00 0.00 66.02 62.70 2oqf s SER 90 CO 0.03 0.05 -0.05 -0.75 1.20 0.00 0.00 173.24 173.72 2oqf s LYS 91 N 1.10 1.08 0.37 5.44 2.20 -1.21 -4.92 119.74 123.79 2oqf s LYS 91 Ca 0.04 -0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.26 2oqf s LYS 91 Cb -0.14 -1.19 -0.10 0.00 -1.51 0.00 0.00 37.83 34.88 2oqf s LYS 91 CO 0.03 -0.21 1.42 -0.47 -0.36 0.00 0.00 175.35 175.77 2oqf s TYR 92 N 1.52 2.71 -2.05 4.03 5.04 -1.26 -0.13 117.35 127.21 2oqf s TYR 92 Ca -0.01 1.25 0.12 0.00 -2.44 0.00 0.00 57.07 56.00 2oqf s TYR 92 Cb -0.13 -3.91 0.39 0.00 0.35 0.00 0.00 41.96 38.66 2oqf s TYR 92 CO -0.04 -2.64 1.30 -0.35 -1.34 0.00 0.00 175.55 172.48 2oqf n PRO 93 N 0.48 1.68 -3.02 4.97 -0.04 -1.26 -5.00 135.00 132.81 2oqf n PRO 93 Ca 0.01 -1.04 -0.44 0.00 -0.04 0.00 0.00 63.50 61.99 2oqf n PRO 93 Cb 0.40 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.32 5.50 -4.72 3.54 5.03 0.81 -5.01 115.26 120.73 2oqf n ASN 94 Ca 0.11 -3.08 -0.42 0.00 0.87 0.00 0.00 54.58 52.06 2oqf n ASN 94 Cb 0.26 -1.44 -0.03 0.00 -1.02 0.00 0.00 39.78 37.54 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 0.62 2.16 0.07 0.00 0.00 -1.26 -4.92 121.76 118.43 2oqf s ALA 96 Ca 0.52 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 51.51 2oqf s ALA 96 Cb -0.25 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 2oqf s ALA 96 CO 0.30 0.41 -0.20 0.71 0.00 0.00 0.00 175.76 176.98 2oqf s TYR 97 N -0.13 1.73 -0.08 0.00 2.02 -1.26 -2.33 117.35 117.30 2oqf s TYR 97 Ca -0.05 -0.40 -0.23 0.00 -0.37 0.00 0.00 57.07 56.03 2oqf s TYR 97 Cb -0.14 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2oqf s TYR 97 CO 0.04 0.14 0.68 0.21 -1.57 0.00 0.00 175.55 175.05 2oqf s LYS 98 N -1.57 4.41 -0.20 -0.62 2.20 -0.07 -4.74 119.74 119.16 2oqf s LYS 98 Ca 0.06 0.82 -0.17 0.00 -0.36 0.00 0.00 55.97 56.32 2oqf s LYS 98 Cb -0.09 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2oqf s LYS 98 CO 0.03 0.05 0.46 0.99 -0.36 0.00 0.00 175.35 176.52 2oqf s THR 99 N 0.86 5.15 -0.30 3.43 2.01 -1.26 -2.64 115.64 122.89 2oqf s THR 99 Ca 0.36 0.82 0.03 0.00 0.31 0.00 0.00 61.69 63.21 2oqf s THR 99 Cb -0.17 -3.78 0.09 0.00 0.01 0.00 0.00 72.50 68.64 2oqf s THR 99 CO 0.17 0.22 0.01 -0.89 -0.69 0.00 0.00 174.62 173.43 2oqf s THR 100 N 1.46 1.98 0.21 -0.82 2.01 -0.77 -4.98 115.64 114.73 2oqf s THR 100 Ca 0.21 -1.92 -0.30 0.00 0.31 0.00 0.00 61.69 59.99 2oqf s THR 100 Cb -0.15 -2.35 -0.08 0.00 0.01 0.00 0.00 72.50 69.93 2oqf s THR 100 CO 0.09 -0.42 0.98 -1.58 -0.69 0.00 0.00 174.62 173.00 2oqf s GLN 101 N 1.10 4.77 0.11 4.92 2.00 -1.26 -1.29 119.66 130.01 2oqf s GLN 101 Ca 0.04 1.55 -0.25 0.00 -2.00 0.00 0.00 55.36 54.71 2oqf s GLN 101 Cb -0.19 -3.29 0.07 0.00 0.80 0.00 0.00 33.01 30.40 2oqf s GLN 101 CO -0.09 0.37 0.62 0.00 -0.50 0.00 0.00 175.29 175.68 2oqf s ALA 102 N -0.84 -1.63 -0.44 1.58 0.00 0.25 -4.98 121.76 115.70 2oqf s ALA 102 Ca 0.44 0.68 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 2oqf s ALA 102 Cb -0.27 0.68 0.11 0.00 0.00 0.00 0.00 23.12 23.65 2oqf s ALA 102 CO 0.33 -0.68 0.27 -0.80 0.00 0.00 0.00 175.76 174.88 2oqf s ASN 103 N -2.39 5.47 0.05 0.00 -0.87 -1.26 0.08 114.94 116.02 2oqf s ASN 103 Ca -0.02 -1.95 0.01 0.00 -1.57 0.00 0.00 52.86 49.33 2oqf s ASN 103 Cb -0.01 -1.91 -0.03 0.00 -0.02 0.00 0.00 41.25 39.28 2oqf s ASN 103 CO -0.08 -0.61 -0.05 -0.54 -2.57 0.00 0.00 177.10 173.26 2oqf s LYS 104 N 1.25 0.57 0.44 -0.60 3.01 -0.67 -4.69 119.74 119.04 2oqf s LYS 104 Ca 0.07 -0.98 -0.24 0.00 -1.01 0.00 0.00 55.97 53.80 2oqf s LYS 104 Cb -0.24 -0.03 -0.08 0.00 -1.01 0.00 0.00 37.83 36.47 2oqf s LYS 104 CO -0.02 -0.03 1.18 -1.01 0.51 0.00 0.00 175.35 175.97 2oqf s HIS 105 N -2.63 2.93 0.18 3.18 3.76 -0.73 -0.89 115.29 121.10 2oqf s HIS 105 Ca -0.02 1.53 0.08 0.00 -0.15 0.00 0.00 55.06 56.50 2oqf s HIS 105 Cb -0.01 -3.42 -0.04 0.00 1.11 0.00 0.00 32.58 30.22 2oqf s HIS 105 CO -0.04 -1.52 -0.04 0.96 -0.85 0.00 0.00 174.74 173.25 2oqf s ILE 106 N -1.47 3.45 -0.13 0.60 -4.36 -1.26 -0.78 121.20 117.25 2oqf s ILE 106 Ca 0.61 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 59.43 2oqf s ILE 106 Cb -0.30 -2.73 0.02 0.00 1.25 0.00 0.00 42.46 40.69 2oqf s ILE 106 CO 0.38 -0.13 -0.14 -0.63 0.24 0.00 0.00 174.94 174.65 2oqf s ILE 107 N -1.77 1.52 0.09 8.37 1.01 0.22 -1.00 121.20 129.64 2oqf s ILE 107 Ca 0.27 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.37 2oqf s ILE 107 Cb -0.09 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2oqf s ILE 107 CO 0.17 0.45 -0.19 0.68 0.00 0.00 0.00 174.94 176.05 2oqf s VAL 108 N 1.29 1.56 -0.03 2.92 -7.23 -0.70 -0.92 120.40 117.30 2oqf s VAL 108 Ca 0.00 -1.43 -0.22 0.00 -1.81 0.00 0.00 61.98 58.52 2oqf s VAL 108 Cb -0.14 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2oqf s VAL 108 CO -0.07 -0.06 0.63 0.00 -0.31 0.00 0.00 175.10 175.29 2oqf s ALA 109 N -1.13 3.43 0.11 1.32 0.00 -0.59 -0.48 121.76 124.42 2oqf s ALA 109 Ca 0.05 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.15 2oqf s ALA 109 Cb -0.10 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2oqf s ALA 109 CO 0.03 0.06 -0.16 0.00 0.00 0.00 0.00 175.76 175.70 2oqf s GLU 111 N -2.10 0.91 0.08 0.00 2.12 -0.20 -4.87 118.70 114.64 2oqf s GLU 111 Ca 0.19 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.38 2oqf s GLU 111 Cb -0.11 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.71 2oqf s GLU 111 CO 0.11 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 2oqf n GLY 112 N 0.14 -3.22 2.58 -1.50 0.00 -1.26 -2.39 105.19 99.54 2oqf n GLY 112 Ca -0.13 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.45 3.47 0.59 1.61 3.04 -1.26 -2.90 114.94 118.04 2oqf s ASN 113 Ca 0.00 -1.26 -0.17 0.00 0.04 0.00 0.00 52.86 51.47 2oqf s ASN 113 Cb 0.00 -0.41 -0.04 0.00 -1.54 0.00 0.00 41.25 39.26 2oqf s ASN 113 CO 0.00 -0.42 1.08 -2.16 -3.04 0.00 0.00 177.10 172.56 2oqf s PRO 114 N 2.03 3.24 -0.65 0.43 0.04 -1.26 -5.11 135.00 133.73 2oqf s PRO 114 Ca 0.08 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 2oqf s PRO 114 Cb -0.16 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.41 2oqf s PRO 114 CO -0.32 -0.89 1.06 -0.47 0.04 0.00 0.00 177.00 176.42 2oqf s TYR 115 N -2.21 2.59 0.16 0.56 5.04 -1.14 -4.85 117.35 117.49 2oqf s TYR 115 Ca 0.67 -0.20 0.02 0.00 -2.44 0.00 0.00 57.07 55.12 2oqf s TYR 115 Cb -0.19 -4.35 -0.05 0.00 0.35 0.00 0.00 41.96 37.73 2oqf s TYR 115 CO 0.34 -1.69 -0.02 0.14 -1.34 0.00 0.00 175.55 172.98 2oqf s VAL 116 N 4.57 0.72 0.14 3.14 -7.23 -1.01 -4.81 120.40 115.92 2oqf s VAL 116 Ca 0.29 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 2oqf s VAL 116 Cb -0.13 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 2oqf s VAL 116 CO 0.15 -0.57 1.51 -2.84 -0.31 0.00 0.00 175.10 173.04 2oqf s PRO 117 N -3.89 4.25 0.00 4.82 0.02 -1.26 -1.03 135.00 137.91 2oqf s PRO 117 Ca 0.21 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.50 2oqf s PRO 117 Cb 0.06 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 31.36 2oqf s PRO 117 CO 0.02 -0.56 0.48 1.33 -0.33 0.00 0.00 177.00 177.95 2oqf n VAL 118 N 4.02 0.00 -3.63 3.83 0.24 -0.45 -4.45 118.33 117.89 2oqf n VAL 118 Ca 0.13 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.82 2oqf n VAL 118 Cb 0.40 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.18 -0.84 -0.30 6.34 2.46 -1.19 -4.62 115.29 116.97 2oqf s HIS 119 Ca 0.01 1.90 -0.11 0.00 0.47 0.00 0.00 55.06 57.33 2oqf s HIS 119 Cb 0.01 0.39 -0.04 0.00 -0.13 0.00 0.00 32.58 32.81 2oqf s HIS 119 CO 0.01 -0.41 0.19 0.12 -2.47 0.00 0.00 174.74 172.19 2oqf s PHE 120 N 0.77 3.21 -0.09 3.88 2.19 -1.26 -1.54 117.98 125.14 2oqf s PHE 120 Ca -0.03 -0.03 -0.06 0.00 0.33 0.00 0.00 56.93 57.14 2oqf s PHE 120 Cb -0.05 -2.40 -0.02 0.00 -1.31 0.00 0.00 43.02 39.24 2oqf s PHE 120 CO -0.06 -0.24 -0.11 -3.47 1.83 0.00 0.00 175.22 173.16 2oqf n ASP 121 N 5.06 1.10 -2.37 6.13 2.03 -0.10 -4.95 116.55 123.45 2oqf n ASP 121 Ca -0.14 0.46 -0.08 0.00 0.52 0.00 0.00 54.79 55.55 2oqf n ASP 121 Cb 0.51 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2oqf n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2oqf n ALA 122 N -3.13 -0.80 -2.56 -1.67 0.00 -1.07 -5.01 120.51 106.27 2oqf n ALA 122 Ca -0.05 -1.04 -0.23 0.00 0.00 0.00 0.00 53.44 52.12 2oqf n ALA 122 Cb 0.17 0.84 -0.15 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.54 1.77 0.00 0.00 1.04 -1.26 -0.61 113.70 112.10 2oqf s SER 123 Ca 0.16 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2oqf s SER 123 Cb -0.02 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2oqf s SER 123 CO 0.12 0.16 0.37 0.52 0.98 0.00 0.00 173.24 175.39