#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxy s PRO 5 N 0.00 3.51 -0.11 -2.82 0.04 -1.26 -4.76 135.00 129.60 2qxy s PRO 5 Ca 0.00 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 2qxy s PRO 5 Cb 0.00 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 2qxy s PRO 5 CO 0.00 -0.81 -0.08 0.99 0.04 0.00 0.00 177.00 177.15 2qxy s THR 6 N -1.44 3.59 0.14 1.26 2.01 -1.26 -0.86 115.64 119.08 2qxy s THR 6 Ca 0.67 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2qxy s THR 6 Cb -0.33 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.66 2qxy s THR 6 CO 0.40 0.55 0.00 0.52 -0.69 0.00 0.00 174.62 175.40 2qxy n VAL 7 N 2.96 0.00 -3.50 3.82 0.31 0.92 -1.20 118.33 121.63 2qxy n VAL 7 Ca -0.18 -0.66 0.01 0.00 -0.01 0.00 0.00 64.34 63.49 2qxy n VAL 7 Cb 0.53 0.12 -0.04 0.00 -0.91 0.00 0.00 33.84 33.54 2qxy n VAL 7 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qxy s VAL 9 N -1.49 -0.84 -0.44 2.52 1.01 -0.03 -0.83 120.40 120.31 2qxy s VAL 9 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 2qxy s VAL 9 Cb -0.00 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.47 2qxy s VAL 9 CO 0.00 0.00 0.29 -0.69 0.00 0.00 0.00 175.10 174.70 2qxy s VAL 10 N 2.78 4.31 -0.09 2.92 1.01 -0.23 -0.66 120.40 130.44 2qxy s VAL 10 Ca -0.02 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.19 2qxy s VAL 10 Cb -0.11 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.67 2qxy s VAL 10 CO -0.19 -0.58 0.72 -0.62 0.00 0.00 0.00 175.10 174.44 2qxy s ASP 11 N 2.30 -0.64 0.47 3.32 3.68 -0.55 -3.35 116.67 121.90 2qxy s ASP 11 Ca 0.04 0.78 0.26 0.00 2.13 0.00 0.00 52.55 55.76 2qxy s ASP 11 Cb -0.24 0.63 0.99 0.00 -1.45 0.00 0.00 42.92 42.86 2qxy s ASP 11 CO 0.02 -0.53 1.85 -0.33 0.13 0.00 0.00 175.17 176.30 2qxy h GLU 12 N 3.22 0.00 -5.62 4.34 4.39 -1.84 -3.34 114.58 115.72 2qxy h GLU 12 Ca -0.26 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 58.85 2qxy h GLU 12 Cb 1.15 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.70 2qxy h GLU 12 CO 0.34 0.16 -0.06 0.45 -1.16 0.00 0.00 179.01 178.74 2qxy s SER 13 N -6.07 6.62 0.36 1.42 0.15 -1.26 -4.95 113.70 109.97 2qxy s SER 13 Ca 0.01 0.74 0.09 0.00 0.70 0.00 0.00 55.95 57.50 2qxy s SER 13 Cb 0.10 -2.30 0.69 0.00 -1.71 0.00 0.00 66.02 62.80 2qxy s SER 13 CO 0.62 -0.13 1.85 -0.09 1.20 0.00 0.00 173.24 176.69 2qxy h ARG 14 N 7.20 0.21 -0.45 5.44 2.43 -2.01 -2.71 114.38 124.49 2qxy h ARG 14 Ca -0.36 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 2qxy h ARG 14 Cb 1.16 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 2qxy h ARG 14 CO 0.75 0.44 0.08 0.82 -1.51 0.00 0.00 179.97 180.55 2qxy h ILE 15 N 0.19 1.21 -0.54 1.20 1.08 -1.98 -0.19 117.51 118.48 2qxy h ILE 15 Ca 0.03 -0.78 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 2qxy h ILE 15 Cb 0.53 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 2qxy h ILE 15 CO 0.04 0.28 0.28 0.74 -0.69 0.00 0.00 178.15 178.80 2qxy h THR 16 N 0.67 1.19 -0.45 -0.27 2.02 -1.89 -0.86 112.91 113.31 2qxy h THR 16 Ca 0.15 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.85 2qxy h THR 16 Cb 0.30 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2qxy h THR 16 CO 0.00 0.20 0.27 0.15 0.37 0.00 0.00 175.52 176.52 2qxy h PHE 17 N 0.72 0.52 -0.78 3.16 3.57 -1.36 -1.78 116.94 120.98 2qxy h PHE 17 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2qxy h PHE 17 Cb 0.07 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 2qxy h PHE 17 CO -0.01 0.31 0.51 -0.07 -2.23 0.00 0.00 178.31 176.82 2qxy h LEU 18 N 0.55 0.87 -0.48 0.59 3.38 -0.44 0.26 115.31 120.04 2qxy h LEU 18 Ca 0.18 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2qxy h LEU 18 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qxy h LEU 18 CO -0.07 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.08 2qxy h ALA 19 N 1.30 0.65 -0.41 1.53 0.00 -0.93 0.73 119.26 122.13 2qxy h ALA 19 Ca 0.30 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2qxy h ALA 19 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qxy h ALA 19 CO -0.08 0.45 0.03 0.28 0.00 0.00 0.00 179.25 179.93 2qxy h VAL 20 N 0.70 1.25 -0.88 0.00 2.07 -1.00 -1.84 116.25 116.56 2qxy h VAL 20 Ca 0.14 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2qxy h VAL 20 Cb 0.50 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2qxy h VAL 20 CO 0.02 0.32 0.53 0.50 0.02 0.00 0.00 177.57 178.97 2qxy h LYS 21 N 0.54 1.19 -0.34 1.57 3.64 -0.80 -1.52 116.57 120.85 2qxy h LYS 21 Ca 0.12 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2qxy h LYS 21 Cb 0.42 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2qxy h LYS 21 CO 0.01 0.83 0.14 -0.97 -2.27 0.00 0.00 179.45 177.20 2qxy h ASN 22 N 1.21 0.42 0.88 4.20 -0.73 -0.50 0.12 115.58 121.17 2qxy h ASN 22 Ca 0.32 -0.04 -0.23 0.00 1.87 0.00 0.00 56.30 58.22 2qxy h ASN 22 Cb -0.06 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 2qxy h ASN 22 CO -0.06 0.38 -1.09 0.00 -0.37 0.00 0.00 177.43 176.30 2qxy h ALA 23 N 1.68 0.28 0.00 1.57 0.00 -0.53 -3.40 119.26 118.85 2qxy h ALA 23 Ca 0.12 -0.91 -0.16 0.00 0.00 0.00 0.00 54.91 53.96 2qxy h ALA 23 Cb 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2qxy h ALA 23 CO -0.01 1.17 -1.79 1.28 0.00 0.00 0.00 179.25 179.90 2qxy n LEU 24 N -3.40 0.00 -0.24 0.00 4.77 -0.65 -4.64 117.00 112.83 2qxy n LEU 24 Ca -0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 2qxy n LEU 24 Cb 0.97 0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 42.22 2qxy n LEU 24 CO 0.49 0.21 0.54 1.05 -1.33 0.00 0.00 177.39 178.35 2qxy h GLU 25 N 0.00 -0.20 -0.41 3.23 4.11 -0.96 -0.19 114.58 120.16 2qxy h GLU 25 Ca -0.24 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2qxy h GLU 25 Cb 1.42 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2qxy h GLU 25 CO 0.01 -0.13 0.00 1.63 0.07 0.00 0.00 179.01 180.59 2qxy n LYS 26 N -5.38 1.22 -0.27 1.06 4.76 -1.26 -3.69 118.16 114.60 2qxy n LYS 26 Ca 0.01 -0.24 0.08 0.00 -2.87 0.00 0.00 58.31 55.30 2qxy n LYS 26 Cb 0.34 -1.25 0.17 0.00 -1.84 0.00 0.00 35.03 32.45 2qxy n LYS 26 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qxy n ASP 27 N -0.17 2.25 -0.29 4.39 8.00 -0.09 -4.98 116.55 125.66 2qxy n ASP 27 Ca 0.02 -3.35 0.00 0.00 0.71 0.00 0.00 54.79 52.17 2qxy n ASP 27 Cb 0.16 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2qxy n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qxy n GLY 28 N -1.29 0.81 2.98 0.44 0.00 -1.24 -5.07 105.19 101.81 2qxy n GLY 28 Ca 0.18 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 2qxy n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qxy s PHE 29 N -2.58 0.50 -0.25 1.61 0.08 -1.22 -4.13 117.98 111.99 2qxy s PHE 29 Ca 0.00 -0.16 -0.08 0.00 0.12 0.00 0.00 56.93 56.81 2qxy s PHE 29 Cb 0.00 -0.32 -0.03 0.00 -0.57 0.00 0.00 43.02 42.10 2qxy s PHE 29 CO 0.00 -0.02 0.09 -0.80 -0.10 0.00 0.00 175.22 174.39 2qxy s ASN 30 N -0.38 5.31 -0.14 1.36 0.02 -0.04 -4.29 114.94 116.77 2qxy s ASN 30 Ca -0.00 -0.16 -0.04 0.00 -1.02 0.00 0.00 52.86 51.64 2qxy s ASN 30 Cb -0.03 -1.96 -0.03 0.00 0.02 0.00 0.00 41.25 39.24 2qxy s ASN 30 CO -0.00 -0.02 0.01 -0.69 0.02 0.00 0.00 177.10 176.41 2qxy s VAL 31 N 1.57 4.33 0.22 1.60 1.01 -1.26 -0.05 120.40 127.82 2qxy s VAL 31 Ca 0.06 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.92 2qxy s VAL 31 Cb -0.15 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2qxy s VAL 31 CO 0.05 0.52 -0.17 0.27 0.00 0.00 0.00 175.10 175.77 2qxy s ILE 32 N -0.01 1.98 -0.07 2.22 -4.36 -0.01 -4.96 121.20 116.00 2qxy s ILE 32 Ca 0.03 -2.24 0.06 0.00 -0.26 0.00 0.00 60.65 58.24 2qxy s ILE 32 Cb -0.13 -2.10 -0.01 0.00 1.25 0.00 0.00 42.46 41.47 2qxy s ILE 32 CO 0.02 -0.50 -0.25 0.86 0.24 0.00 0.00 174.94 175.32 2qxy s TRP 33 N -2.70 2.45 -0.12 1.37 -0.00 -1.26 -0.85 118.94 117.83 2qxy s TRP 33 Ca 0.24 -0.79 -0.00 0.00 -0.00 0.00 0.00 56.10 55.55 2qxy s TRP 33 Cb -0.03 -1.61 0.02 0.00 -0.00 0.00 0.00 33.47 31.85 2qxy s TRP 33 CO 0.09 -0.26 -0.09 0.00 -0.00 0.00 0.00 176.95 176.69 2qxy s ALA 34 N -0.05 1.44 -0.72 5.86 0.00 0.17 -4.95 121.76 123.51 2qxy s ALA 34 Ca -0.07 -0.62 0.26 0.00 0.00 0.00 0.00 51.96 51.53 2qxy s ALA 34 Cb -0.15 -0.92 0.85 0.00 0.00 0.00 0.00 23.12 22.90 2qxy s ALA 34 CO 0.05 -0.37 1.78 0.36 0.00 0.00 0.00 175.76 177.57 2qxy n LYS 35 N 4.83 0.24 -4.02 0.00 2.85 -1.26 -1.49 118.16 119.32 2qxy n LYS 35 Ca -0.14 0.23 -0.12 0.00 -1.05 0.00 0.00 58.31 57.23 2qxy n LYS 35 Cb 0.50 -1.80 -0.03 0.00 -0.65 0.00 0.00 35.03 33.05 2qxy n LYS 35 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qxy s ASN 36 N -4.43 0.44 0.20 -5.58 2.20 -1.26 -3.87 114.94 102.64 2qxy s ASN 36 Ca 0.10 -1.25 -0.08 0.00 -0.94 0.00 0.00 52.86 50.69 2qxy s ASN 36 Cb 0.12 0.67 0.12 0.00 -2.00 0.00 0.00 41.25 40.16 2qxy s ASN 36 CO 0.57 -1.31 1.71 -0.08 -2.94 0.00 0.00 177.10 175.05 2qxy h GLU 37 N 2.14 1.13 -0.04 3.55 4.81 -1.99 -1.38 114.58 122.81 2qxy h GLU 37 Ca -0.28 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2qxy h GLU 37 Cb 1.24 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2qxy h GLU 37 CO 0.38 1.01 -0.17 1.96 -0.73 0.00 0.00 179.01 181.46 2qxy h GLN 38 N 1.07 -0.25 -0.50 1.92 7.50 -2.00 -1.70 115.11 121.15 2qxy h GLN 38 Ca 0.22 0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.31 2qxy h GLN 38 Cb 0.40 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.97 2qxy h GLN 38 CO 0.01 -0.17 0.02 1.49 -1.50 0.00 0.00 178.83 178.68 2qxy h GLU 39 N -0.26 0.83 -0.72 1.46 4.81 -1.95 -2.63 114.58 116.11 2qxy h GLU 39 Ca 0.07 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2qxy h GLU 39 Cb 0.35 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2qxy h GLU 39 CO -0.19 0.82 0.46 0.00 -0.73 0.00 0.00 179.01 179.37 2qxy h ALA 40 N 1.24 0.92 0.00 2.92 0.00 -0.69 -2.46 119.26 121.19 2qxy h ALA 40 Ca 0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2qxy h ALA 40 Cb 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qxy h ALA 40 CO 0.02 0.36 -0.57 0.74 0.00 0.00 0.00 179.25 179.79 2qxy h PHE 41 N 0.98 0.00 -0.75 0.00 0.04 -1.17 -1.60 116.94 114.43 2qxy h PHE 41 Ca 0.26 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 2qxy h PHE 41 Cb -0.08 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.03 2qxy h PHE 41 CO -0.02 0.57 0.45 1.15 -0.60 0.00 0.00 178.31 179.87 2qxy h THR 42 N 0.00 1.21 -0.03 -1.55 2.02 -1.08 -2.22 112.91 111.26 2qxy h THR 42 Ca -0.01 -0.47 -0.13 0.00 0.77 0.00 0.00 66.41 66.58 2qxy h THR 42 Cb 1.08 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2qxy h THR 42 CO 0.07 0.22 -0.49 -0.26 0.37 0.00 0.00 175.52 175.44 2qxy h PHE 43 N 1.03 0.56 -0.80 3.16 0.04 -1.32 -3.17 116.94 116.44 2qxy h PHE 43 Ca 0.27 -0.28 0.15 0.00 2.80 0.00 0.00 57.97 60.91 2qxy h PHE 43 Cb -0.04 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 37.98 2qxy h PHE 43 CO -0.01 1.07 0.53 -0.07 -0.60 0.00 0.00 178.31 179.23 2qxy h LEU 44 N -0.12 0.48 -0.42 1.54 3.38 -1.19 -0.67 115.31 118.32 2qxy h LEU 44 Ca -0.05 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2qxy h LEU 44 Cb 1.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2qxy h LEU 44 CO 0.10 0.25 -0.40 0.03 0.09 0.00 0.00 178.44 178.50 2qxy h ARG 45 N 0.51 0.00 0.00 1.13 3.08 -1.44 -3.34 114.38 114.32 2qxy h ARG 45 Ca 0.40 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.29 2qxy h ARG 45 Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 2qxy h ARG 45 CO -0.15 0.40 -2.03 0.54 -1.07 0.00 0.00 179.97 177.67 2qxy n ARG 46 N -3.32 0.66 -4.12 0.04 5.12 -0.58 -5.03 116.66 109.45 2qxy n ARG 46 Ca 0.01 -0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 55.78 2qxy n ARG 46 Cb 0.62 -1.57 -0.10 0.00 -1.16 0.00 0.00 32.46 30.25 2qxy n ARG 46 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2qxy s GLU 47 N -3.06 0.92 -0.18 5.56 -1.05 -0.36 -5.11 118.70 115.41 2qxy s GLU 47 Ca -0.08 -1.38 -0.29 0.00 -0.15 0.00 0.00 54.97 53.07 2qxy s GLU 47 Cb 0.10 0.26 -0.00 0.00 -0.44 0.00 0.00 34.13 34.04 2qxy s GLU 47 CO 0.86 -0.26 1.15 0.21 0.95 0.00 0.00 175.26 178.17 2qxy s LYS 48 N -4.02 4.26 -0.20 -4.83 2.20 -1.26 -4.58 119.74 111.31 2qxy s LYS 48 Ca 0.21 1.52 0.01 0.00 -0.36 0.00 0.00 55.97 57.35 2qxy s LYS 48 Cb 0.07 -3.68 0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2qxy s LYS 48 CO 0.00 -0.63 -0.14 0.42 -0.36 0.00 0.00 175.35 174.64 2qxy s ILE 49 N 3.18 1.88 0.10 5.43 1.01 -1.26 -4.59 121.20 126.95 2qxy s ILE 49 Ca 0.50 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 2qxy s ILE 49 Cb -0.19 -1.86 -0.23 0.00 0.01 0.00 0.00 42.46 40.20 2qxy s ILE 49 CO 0.12 0.28 1.22 0.44 0.00 0.00 0.00 174.94 176.99 2qxy h ASP 50 N 7.93 0.67 -3.78 3.58 3.32 -1.46 -3.40 116.42 123.27 2qxy h ASP 50 Ca -0.33 -0.57 -0.19 0.00 0.02 0.00 0.00 57.03 55.97 2qxy h ASP 50 Cb 1.10 -0.21 -0.26 0.00 0.22 0.00 0.00 39.33 40.18 2qxy h ASP 50 CO 0.53 1.38 -0.52 -0.22 -1.72 0.00 0.00 179.24 178.70 2qxy s LEU 51 N -7.76 1.31 -0.08 1.55 2.96 -1.07 -1.82 118.68 113.77 2qxy s LEU 51 Ca -0.07 0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.23 2qxy s LEU 51 Cb 0.08 0.59 0.00 0.00 0.50 0.00 0.00 46.19 47.36 2qxy s LEU 51 CO 0.89 -0.06 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.97 2qxy s VAL 52 N 0.14 1.73 -0.25 1.68 1.01 -0.22 -4.27 120.40 120.21 2qxy s VAL 52 Ca -0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2qxy s VAL 52 Cb -0.02 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2qxy s VAL 52 CO -0.00 0.49 0.16 -0.36 0.00 0.00 0.00 175.10 175.39 2qxy s PHE 53 N 0.40 3.29 -0.05 5.22 0.08 -1.26 -0.91 117.98 124.75 2qxy s PHE 53 Ca -0.16 0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.12 2qxy s PHE 53 Cb -0.17 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2qxy s PHE 53 CO 0.07 0.01 -0.17 0.14 -0.10 0.00 0.00 175.22 175.17 2qxy s VAL 54 N 1.19 2.77 -0.15 -0.44 -7.23 -0.35 -1.06 120.40 115.12 2qxy s VAL 54 Ca 0.07 -0.82 -0.26 0.00 -1.81 0.00 0.00 61.98 59.16 2qxy s VAL 54 Cb -0.14 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 2qxy s VAL 54 CO 0.06 0.58 0.84 -0.62 -0.31 0.00 0.00 175.10 175.65 2qxy s ASP 55 N -0.51 7.00 -0.01 4.85 2.15 -1.21 -1.26 116.67 127.68 2qxy s ASP 55 Ca 0.07 1.22 0.06 0.00 0.43 0.00 0.00 52.55 54.33 2qxy s ASP 55 Cb -0.11 -2.46 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 2qxy s ASP 55 CO 0.01 -0.38 -0.18 -0.69 -0.17 0.00 0.00 175.17 173.77 2qxy s VAL 56 N 2.00 2.78 0.00 1.11 1.01 -1.25 -4.88 120.40 121.18 2qxy s VAL 56 Ca 0.39 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2qxy s VAL 56 Cb -0.17 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.10 2qxy s VAL 56 CO 0.14 0.48 0.00 2.22 0.00 0.00 0.00 175.10 177.94 2qxy n PHE 57 N 2.00 0.00 -3.90 5.22 1.16 -1.26 -4.66 117.46 116.02 2qxy n PHE 57 Ca -0.16 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.06 2qxy n PHE 57 Cb 0.52 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.31 2qxy n PHE 57 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 2qxy s GLU 58 N 0.00 3.89 0.00 3.97 1.03 -1.26 -5.06 118.70 121.27 2qxy s GLU 58 Ca 0.00 -0.26 0.00 0.00 0.03 0.00 0.00 54.97 54.74 2qxy s GLU 58 Cb 0.00 -3.26 0.00 0.00 -0.80 0.00 0.00 34.13 30.07 2qxy s GLU 58 CO 0.00 0.41 0.00 0.41 -1.33 0.00 0.00 175.26 174.75 2qxy n GLY 59 N 3.14 0.08 0.11 -3.83 0.00 -1.26 -3.34 105.19 100.09 2qxy n GLY 59 Ca -0.17 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 45.91 2qxy n GLY 59 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qxy n GLU 60 N 0.00 0.38 -0.02 1.61 2.13 -1.26 -3.93 120.64 119.55 2qxy n GLU 60 Ca 0.00 -0.22 -0.03 0.00 0.66 0.00 0.00 57.16 57.57 2qxy n GLU 60 Cb 0.00 -1.50 0.22 0.00 0.27 0.00 0.00 31.44 30.43 2qxy n GLU 60 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2qxy h GLU 61 N 0.55 0.58 -0.19 5.31 4.11 -1.99 1.26 114.58 124.21 2qxy h GLU 61 Ca 0.00 -0.17 -0.10 0.00 0.07 0.00 0.00 59.36 59.16 2qxy h GLU 61 Cb 0.50 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2qxy h GLU 61 CO 0.00 0.68 -0.32 0.66 0.07 0.00 0.00 179.01 180.11 2qxy h SER 62 N 0.53 0.39 0.40 3.06 4.64 -1.67 -0.81 113.55 120.09 2qxy h SER 62 Ca 0.10 -0.14 -0.19 0.00 -0.47 0.00 0.00 61.79 61.08 2qxy h SER 62 Cb 0.51 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2qxy h SER 62 CO 0.03 0.69 -0.81 -0.07 -0.87 0.00 0.00 176.83 175.81 2qxy h LEU 63 N 0.33 0.38 -0.97 5.97 3.38 -1.33 -3.01 115.31 120.07 2qxy h LEU 63 Ca 0.04 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 2qxy h LEU 63 Cb 0.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2qxy h LEU 63 CO 0.06 1.04 -0.26 0.78 0.09 0.00 0.00 178.44 180.15 2qxy h ASN 64 N 0.19 0.43 -0.58 -0.43 2.35 0.21 -1.77 115.58 115.98 2qxy h ASN 64 Ca -0.04 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 2qxy h ASN 64 Cb 1.40 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.63 2qxy h ASN 64 CO 0.13 0.69 0.11 0.25 -1.65 0.00 0.00 177.43 176.96 2qxy h LEU 65 N 0.38 0.91 -0.18 1.61 5.85 -1.11 0.11 115.31 122.88 2qxy h LEU 65 Ca 0.06 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2qxy h LEU 65 Cb 0.66 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2qxy h LEU 65 CO 0.05 0.93 0.11 0.40 -0.34 0.00 0.00 178.44 179.58 2qxy h ILE 66 N 0.85 1.08 -0.02 4.05 2.04 -1.34 -0.96 117.51 123.21 2qxy h ILE 66 Ca 0.18 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2qxy h ILE 66 Cb 0.40 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2qxy h ILE 66 CO 0.01 0.08 0.01 0.03 0.00 0.00 0.00 178.15 178.28 2qxy h ARG 67 N 0.20 0.03 -0.58 2.37 3.08 -1.09 -1.52 114.38 116.87 2qxy h ARG 67 Ca 0.06 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2qxy h ARG 67 Cb 0.03 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 2qxy h ARG 67 CO -0.01 0.05 0.31 -0.09 -1.07 0.00 0.00 179.97 179.16 2qxy h ARG 68 N -0.00 0.58 -0.32 0.04 2.43 -0.63 -0.32 114.38 116.16 2qxy h ARG 68 Ca 0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2qxy h ARG 68 Cb 0.03 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2qxy h ARG 68 CO -0.00 0.38 0.18 0.82 -1.51 0.00 0.00 179.97 179.84 2qxy h ILE 69 N 0.60 1.13 -0.86 1.20 2.04 -1.02 -1.19 117.51 119.41 2qxy h ILE 69 Ca 0.26 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2qxy h ILE 69 Cb 0.14 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2qxy h ILE 69 CO -0.16 0.14 0.51 0.03 0.00 0.00 0.00 178.15 178.66 2qxy h ARG 70 N 0.40 1.17 -0.01 2.37 2.47 -0.69 0.86 114.38 120.96 2qxy h ARG 70 Ca 0.11 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2qxy h ARG 70 Cb 0.06 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.14 2qxy h ARG 70 CO -0.02 0.83 -0.04 0.93 0.56 0.00 0.00 179.97 182.24 2qxy h GLU 71 N 1.18 0.04 -0.00 0.04 5.08 -0.93 -2.95 114.58 117.04 2qxy h GLU 71 Ca 0.31 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.50 2qxy h GLU 71 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2qxy h GLU 71 CO -0.06 0.69 -0.61 0.93 -1.00 0.00 0.00 179.01 178.96 2qxy h GLU 72 N -0.59 0.01 -2.56 2.33 5.08 -1.21 -3.37 114.58 114.27 2qxy h GLU 72 Ca -0.00 -0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.75 2qxy h GLU 72 Cb 0.69 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.55 2qxy h GLU 72 CO 0.01 0.61 -0.87 -0.06 -1.00 0.00 0.00 179.01 177.70 2qxy s PHE 73 N -3.64 1.73 0.49 4.33 0.08 0.29 -4.97 117.98 116.29 2qxy s PHE 73 Ca -0.01 -2.58 0.32 0.00 0.12 0.00 0.00 56.93 54.78 2qxy s PHE 73 Cb 0.13 -1.38 1.75 0.00 -0.57 0.00 0.00 43.02 42.95 2qxy s PHE 73 CO 0.76 -0.76 2.18 -1.00 -0.10 0.00 0.00 175.22 176.30 2qxy h PRO 74 N 5.60 0.00 -0.04 0.24 0.13 -1.70 -2.04 132.00 134.19 2qxy h PRO 74 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2qxy h PRO 74 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2qxy h PRO 74 CO 0.46 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 2qxy n ASP 75 N -3.53 0.65 -4.36 1.44 8.00 -1.26 -4.71 116.55 112.77 2qxy n ASP 75 Ca -0.02 -1.38 -0.36 0.00 0.71 0.00 0.00 54.79 53.74 2qxy n ASP 75 Cb 0.17 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.11 2qxy n ASP 75 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qxy s THR 76 N -1.96 3.78 0.47 -3.53 2.01 -0.77 -4.79 115.64 110.86 2qxy s THR 76 Ca 0.36 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.83 2qxy s THR 76 Cb 0.18 -2.76 -0.07 0.00 0.01 0.00 0.00 72.50 69.85 2qxy s THR 76 CO 0.29 0.36 0.91 -0.54 -0.69 0.00 0.00 174.62 174.95 2qxy s LYS 77 N 1.53 3.90 -0.04 4.92 1.02 -0.75 -4.76 119.74 125.56 2qxy s LYS 77 Ca 0.06 0.79 0.03 0.00 0.02 0.00 0.00 55.97 56.87 2qxy s LYS 77 Cb -0.15 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 2qxy s LYS 77 CO -0.00 -0.18 -0.14 0.08 -0.92 0.00 0.00 175.35 174.20 2qxy s VAL 78 N -2.51 1.17 0.07 3.17 1.01 -1.26 -1.06 120.40 120.99 2qxy s VAL 78 Ca 0.56 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2qxy s VAL 78 Cb -0.10 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2qxy s VAL 78 CO 0.31 0.35 -0.14 0.00 0.00 0.00 0.00 175.10 175.61 2qxy s ALA 79 N 0.21 1.19 -0.01 5.51 0.00 -0.09 -0.07 121.76 128.51 2qxy s ALA 79 Ca -0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 2qxy s ALA 79 Cb -0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2qxy s ALA 79 CO 0.02 0.16 0.32 0.08 0.00 0.00 0.00 175.76 176.34 2qxy s VAL 80 N -1.35 5.20 -0.19 0.00 1.01 -0.31 -1.21 120.40 123.55 2qxy s VAL 80 Ca -0.01 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 2qxy s VAL 80 Cb -0.10 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.74 2qxy s VAL 80 CO 0.02 0.48 0.02 -0.22 0.00 0.00 0.00 175.10 175.40 2qxy s LEU 81 N -1.39 1.39 0.07 3.92 2.96 -0.39 -0.31 118.68 124.93 2qxy s LEU 81 Ca 0.25 -0.83 -0.16 0.00 -0.22 0.00 0.00 54.13 53.16 2qxy s LEU 81 Cb -0.14 -0.70 0.03 0.00 0.50 0.00 0.00 46.19 45.88 2qxy s LEU 81 CO 0.13 -0.28 0.37 -0.94 -1.32 0.00 0.00 176.35 174.31 2qxy s SER 82 N 1.78 -0.21 0.22 3.68 1.04 -0.62 -3.83 113.70 115.77 2qxy s SER 82 Ca -0.01 -0.16 0.18 0.00 0.48 0.00 0.00 55.95 56.44 2qxy s SER 82 Cb -0.17 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.39 2qxy s SER 82 CO -0.08 -0.70 1.22 0.00 0.98 0.00 0.00 173.24 174.66 2qxy h ALA 83 N 2.89 0.68 -2.71 5.32 0.00 -1.84 -1.09 119.26 122.51 2qxy h ALA 83 Ca -0.32 -0.45 -0.60 0.00 0.00 0.00 0.00 54.91 53.54 2qxy h ALA 83 Cb 1.22 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2qxy h ALA 83 CO 0.46 0.54 -0.19 0.71 0.00 0.00 0.00 179.25 180.77 2qxy s TYR 84 N -3.04 3.71 -0.19 0.00 2.02 -1.26 -4.77 117.35 113.82 2qxy s TYR 84 Ca 0.02 1.00 -0.06 0.00 -0.37 0.00 0.00 57.07 57.66 2qxy s TYR 84 Cb 0.08 -2.33 0.09 0.00 -0.40 0.00 0.00 41.96 39.40 2qxy s TYR 84 CO 0.76 0.59 0.37 0.54 -1.57 0.00 0.00 175.55 176.24 2qxy s VAL 85 N -0.88 -0.58 0.08 0.71 0.11 -1.26 -4.98 120.40 113.59 2qxy s VAL 85 Ca 0.24 0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 59.40 2qxy s VAL 85 Cb -0.17 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2qxy s VAL 85 CO 0.13 0.04 0.05 1.51 -3.33 0.00 0.00 175.10 173.50 2qxy s ASP 86 N 2.55 0.36 0.22 3.54 1.47 -1.26 -5.06 116.67 118.49 2qxy s ASP 86 Ca 0.02 -0.95 -0.11 0.00 1.18 0.00 0.00 52.55 52.69 2qxy s ASP 86 Cb -0.13 0.26 0.31 0.00 -0.34 0.00 0.00 42.92 43.02 2qxy s ASP 86 CO -0.12 -0.66 1.65 0.50 0.68 0.00 0.00 175.17 177.22 2qxy h LYS 87 N 2.99 0.10 -0.07 2.11 3.64 -2.00 -2.21 116.57 121.12 2qxy h LYS 87 Ca -0.34 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.96 2qxy h LYS 87 Cb 1.17 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2qxy h LYS 87 CO 0.62 0.06 -0.31 -0.44 -2.27 0.00 0.00 179.45 177.11 2qxy h ASP 88 N 0.10 0.12 -0.36 4.20 3.32 -1.98 -0.91 116.42 120.91 2qxy h ASP 88 Ca 0.33 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2qxy h ASP 88 Cb 0.55 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2qxy h ASP 88 CO -0.57 0.43 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.30 2qxy h LEU 89 N 0.11 0.64 0.26 1.55 3.38 -1.82 -0.46 115.31 118.97 2qxy h LEU 89 Ca 0.02 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2qxy h LEU 89 Cb 0.61 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2qxy h LEU 89 CO 0.04 0.81 -0.13 0.40 0.09 0.00 0.00 178.44 179.66 2qxy h ILE 90 N 0.47 0.79 0.03 1.22 2.04 -1.23 -1.43 117.51 119.39 2qxy h ILE 90 Ca 0.10 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.62 2qxy h ILE 90 Cb 0.49 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2qxy h ILE 90 CO 0.02 0.08 -0.25 0.40 0.00 0.00 0.00 178.15 178.40 2qxy h ILE 91 N -0.54 0.44 -0.46 -0.67 2.04 -1.14 -1.91 117.51 115.27 2qxy h ILE 91 Ca -0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2qxy h ILE 91 Cb 0.40 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2qxy h ILE 91 CO 0.06 0.00 0.05 0.78 0.00 0.00 0.00 178.15 179.04 2qxy h ASN 92 N -0.40 0.69 -0.44 1.72 2.35 -1.10 -0.75 115.58 117.63 2qxy h ASN 92 Ca 0.05 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.53 2qxy h ASN 92 Cb 0.47 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2qxy h ASN 92 CO -0.20 0.73 -0.22 0.77 -1.65 0.00 0.00 177.43 176.86 2qxy h SER 93 N 0.69 0.98 -0.21 5.81 4.64 -1.05 0.11 113.55 124.53 2qxy h SER 93 Ca 0.15 -0.37 -0.14 0.00 -0.47 0.00 0.00 61.79 60.96 2qxy h SER 93 Cb 0.36 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2qxy h SER 93 CO 0.01 1.15 -0.37 0.58 -0.87 0.00 0.00 176.83 177.34 2qxy h VAL 94 N 0.83 1.29 -0.67 0.95 2.07 -1.16 -0.82 116.25 118.73 2qxy h VAL 94 Ca 0.11 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 2qxy h VAL 94 Cb 0.79 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2qxy h VAL 94 CO 0.07 0.50 0.35 0.11 0.02 0.00 0.00 177.57 178.62 2qxy h LYS 95 N 0.61 0.93 0.00 1.57 1.57 -0.90 -0.74 116.57 119.61 2qxy h LYS 95 Ca 0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qxy h LYS 95 Cb 0.90 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2qxy h LYS 95 CO 0.08 0.69 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 2qxy h ALA 96 N 1.46 1.00 0.00 3.86 0.00 -0.45 -3.46 119.26 121.67 2qxy h ALA 96 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qxy h ALA 96 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qxy h ALA 96 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2qxy n GLY 97 N -0.13 0.52 3.77 0.00 0.00 -0.28 -4.02 105.19 105.05 2qxy n GLY 97 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2qxy n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxy s ALA 98 N -1.47 3.41 -0.41 4.61 0.00 -0.36 -4.59 121.76 122.94 2qxy s ALA 98 Ca 0.00 1.15 0.22 0.00 0.00 0.00 0.00 51.96 53.33 2qxy s ALA 98 Cb 0.00 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 2qxy s ALA 98 CO 0.00 -0.55 0.88 1.33 0.00 0.00 0.00 175.76 177.42 2qxy n VAL 99 N 0.70 0.20 -3.89 0.00 0.24 0.91 -4.43 118.33 112.06 2qxy n VAL 99 Ca 0.01 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.34 61.86 2qxy n VAL 99 Cb 0.43 0.10 -0.05 0.00 -1.47 0.00 0.00 33.84 32.85 2qxy n VAL 99 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qxy s ASP 100 N -4.30 -0.14 -0.18 -1.34 -1.08 -1.26 -5.05 116.67 103.33 2qxy s ASP 100 Ca 0.00 -0.74 -0.04 0.00 -0.52 0.00 0.00 52.55 51.25 2qxy s ASP 100 Cb 0.13 0.57 0.08 0.00 -1.46 0.00 0.00 42.92 42.25 2qxy s ASP 100 CO 0.83 -1.08 0.20 -0.47 0.52 0.00 0.00 175.17 175.16 2qxy s TYR 101 N -3.95 -0.20 -0.10 -5.34 5.04 -1.26 -1.16 117.35 110.38 2qxy s TYR 101 Ca 0.16 0.21 0.03 0.00 -2.44 0.00 0.00 57.07 55.03 2qxy s TYR 101 Cb -0.01 -0.39 -0.01 0.00 0.35 0.00 0.00 41.96 41.91 2qxy s TYR 101 CO 0.03 -0.54 -0.21 0.42 -1.34 0.00 0.00 175.55 173.91 2qxy s ILE 102 N 2.30 2.38 0.22 3.14 1.01 0.58 -4.97 121.20 125.87 2qxy s ILE 102 Ca 0.06 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 2qxy s ILE 102 Cb -0.15 -1.93 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 2qxy s ILE 102 CO -0.11 0.55 0.76 -0.76 0.00 0.00 0.00 174.94 175.39 2qxy s LEU 103 N 0.23 4.39 -0.12 2.97 1.43 -1.26 -1.58 118.68 124.74 2qxy s LEU 103 Ca -0.13 1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 54.44 2qxy s LEU 103 Cb -0.17 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2qxy s LEU 103 CO 0.07 0.05 0.03 -0.54 0.23 0.00 0.00 176.35 176.19 2qxy s LYS 104 N -1.82 3.38 0.34 1.70 1.02 -0.41 -3.28 119.74 120.67 2qxy s LYS 104 Ca 0.42 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.77 2qxy s LYS 104 Cb -0.18 -2.96 -0.09 0.00 -0.52 0.00 0.00 37.83 34.08 2qxy s LYS 104 CO 0.22 0.54 1.09 -1.25 -0.92 0.00 0.00 175.35 175.03 2qxy s PRO 105 N -0.42 4.36 0.24 -1.68 0.04 -1.26 -4.30 135.00 131.99 2qxy s PRO 105 Ca 0.08 1.70 0.10 0.00 0.04 0.00 0.00 61.00 62.93 2qxy s PRO 105 Cb -0.12 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 2qxy s PRO 105 CO 0.02 -0.01 -0.13 -0.59 0.04 0.00 0.00 177.00 176.34 2qxy s PHE 106 N -1.39 2.49 0.19 0.56 -0.12 -1.21 -5.11 117.98 113.39 2qxy s PHE 106 Ca 0.52 -0.28 -0.29 0.00 -0.05 0.00 0.00 56.93 56.83 2qxy s PHE 106 Cb -0.28 -1.14 -0.08 0.00 -0.63 0.00 0.00 43.02 40.89 2qxy s PHE 106 CO 0.35 0.61 0.90 1.03 -0.05 0.00 0.00 175.22 178.06 2qxy s ARG 107 N -3.27 4.75 0.26 1.99 0.52 -1.26 -4.96 118.95 116.98 2qxy s ARG 107 Ca 0.28 1.39 -0.05 0.00 -0.52 0.00 0.00 55.73 56.83 2qxy s ARG 107 Cb -0.07 -3.29 0.30 0.00 0.52 0.00 0.00 34.95 32.41 2qxy s ARG 107 CO 0.16 0.47 1.87 -0.07 0.02 0.00 0.00 175.30 177.75 2qxy h LEU 108 N 4.48 1.03 -1.08 2.53 3.38 -1.97 -2.01 115.31 121.66 2qxy h LEU 108 Ca -0.45 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 2qxy h LEU 108 Cb 1.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2qxy h LEU 108 CO 0.68 0.83 -0.46 -2.24 0.09 0.00 0.00 178.44 177.35 2qxy h ASP 109 N 1.15 0.00 -0.01 -0.43 2.03 -1.92 -1.49 116.42 115.74 2qxy h ASP 109 Ca 0.29 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.58 2qxy h ASP 109 Cb 0.04 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.54 2qxy h ASP 109 CO -0.04 0.46 -0.01 0.22 -1.03 0.00 0.00 179.24 178.84 2qxy h TYR 110 N 0.00 0.03 -0.52 4.15 3.20 -1.85 -2.04 116.97 119.95 2qxy h TYR 110 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 2qxy h TYR 110 Cb 0.82 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 2qxy h TYR 110 CO 0.00 0.43 0.27 1.25 -1.64 0.00 0.00 178.16 178.47 2qxy h LEU 111 N -0.38 0.40 -0.59 2.82 5.85 -1.24 -1.24 115.31 120.93 2qxy h LEU 111 Ca 0.00 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2qxy h LEU 111 Cb 0.42 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2qxy h LEU 111 CO 0.00 0.28 0.33 0.25 -0.34 0.00 0.00 178.44 178.96 2qxy h LEU 112 N 0.53 0.50 -0.85 2.25 5.85 -1.23 -0.43 115.31 121.93 2qxy h LEU 112 Ca 0.23 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 2qxy h LEU 112 Cb 0.12 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2qxy h LEU 112 CO -0.15 0.34 -0.35 1.05 -0.34 0.00 0.00 178.44 178.99 2qxy h GLU 113 N 0.63 0.43 -0.25 1.25 -0.00 -0.89 -0.96 114.58 114.79 2qxy h GLU 113 Ca 0.25 -0.19 -0.16 0.00 -0.00 0.00 0.00 59.36 59.26 2qxy h GLU 113 Cb 0.11 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.84 2qxy h GLU 113 CO -0.14 0.73 -0.48 0.00 -0.00 0.00 0.00 179.01 179.11 2qxy h ARG 114 N 0.37 0.68 -0.39 1.06 2.47 -0.74 -2.11 114.38 115.72 2qxy h ARG 114 Ca 0.04 -0.40 -0.05 0.00 -1.26 0.00 0.00 59.98 58.31 2qxy h ARG 114 Cb 0.79 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 2qxy h ARG 114 CO 0.06 1.01 0.04 0.28 0.56 0.00 0.00 179.97 181.93 2qxy h VAL 115 N 0.54 1.25 -0.64 2.04 2.07 -0.92 -2.35 116.25 118.24 2qxy h VAL 115 Ca 0.03 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.65 2qxy h VAL 115 Cb 1.04 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2qxy h VAL 115 CO 0.10 0.31 0.42 0.11 0.02 0.00 0.00 177.57 178.53 2qxy h LYS 116 N 0.50 0.80 -0.05 1.57 1.57 -1.03 -0.41 116.57 119.51 2qxy h LYS 116 Ca 0.12 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 2qxy h LYS 116 Cb 0.40 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2qxy h LYS 116 CO 0.01 0.53 -0.51 0.87 -0.57 0.00 0.00 179.45 179.78 2qxy h LYS 117 N 0.82 0.13 0.01 3.15 1.57 -1.13 -3.26 116.57 117.86 2qxy h LYS 117 Ca 0.24 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 2qxy h LYS 117 Cb -0.03 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.29 2qxy h LYS 117 CO -0.06 0.61 -0.44 0.82 -0.57 0.00 0.00 179.45 179.81 2qxy h ILE 118 N 0.11 1.49 -3.46 1.86 2.04 -0.74 -3.44 117.51 115.37 2qxy h ILE 118 Ca 0.00 -2.05 -0.61 0.00 1.00 0.00 0.00 64.86 63.21 2qxy h ILE 118 Cb 0.94 2.72 -0.11 0.00 -0.74 0.00 0.00 36.82 39.63 2qxy h ILE 118 CO 0.07 0.58 0.21 -0.63 0.00 0.00 0.00 178.15 178.38 2qxy s ILE 119 N -3.11 4.95 -2.00 -0.67 1.01 -0.27 -5.09 121.20 116.02 2qxy s ILE 119 Ca -0.15 1.15 0.26 0.00 0.00 0.00 0.00 60.65 61.91 2qxy s ILE 119 Cb 0.02 -3.97 0.74 0.00 0.01 0.00 0.00 42.46 39.26 2qxy s ILE 119 CO 0.78 -0.02 1.91 -1.54 0.00 0.00 0.00 174.94 176.07