#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkf s THR 3 N 0.00 1.21 0.25 12.58 -4.23 -1.26 -4.21 115.64 119.97 1xkf s THR 3 Ca 0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1xkf s THR 3 Cb 0.00 -2.78 0.22 0.00 1.34 0.00 0.00 72.50 71.29 1xkf s THR 3 CO 0.00 -0.02 1.85 0.00 -0.54 0.00 0.00 174.62 175.91 1xkf h ALA 4 N 2.13 1.22 -0.81 3.99 0.00 -0.91 -1.37 119.26 123.50 1xkf h ALA 4 Ca -0.41 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.57 1xkf h ALA 4 Cb 1.24 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1xkf h ALA 4 CO 0.70 0.28 0.53 -0.09 0.00 0.00 0.00 179.25 180.67 1xkf h ARG 5 N 0.99 0.84 0.00 0.00 2.43 -1.27 0.68 114.38 118.05 1xkf h ARG 5 Ca 0.39 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.42 1xkf h ARG 5 Cb 0.20 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1xkf h ARG 5 CO -0.18 0.56 -0.41 -0.44 -1.51 0.00 0.00 179.97 177.98 1xkf h ASP 6 N 0.87 0.00 0.00 -3.80 3.32 -1.52 -3.31 116.42 111.97 1xkf h ASP 6 Ca 0.35 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.31 1xkf h ASP 6 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1xkf h ASP 6 CO -0.13 0.41 -2.01 -0.38 -1.72 0.00 0.00 179.24 175.41 1xkf n ILE 7 N -3.75 0.34 -1.22 0.35 5.41 -0.75 -5.01 119.36 114.73 1xkf n ILE 7 Ca -0.01 -0.54 -0.31 0.00 1.00 0.00 0.00 62.75 62.88 1xkf n ILE 7 Cb 0.48 -0.10 0.10 0.00 -0.71 0.00 0.00 39.64 39.41 1xkf n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xkf s MET 8 N -3.14 2.08 -0.44 0.38 0.23 0.16 -4.88 119.30 113.68 1xkf s MET 8 Ca -0.08 1.29 -0.20 0.00 -1.03 0.00 0.00 55.69 55.67 1xkf s MET 8 Cb 0.11 -1.87 0.03 0.00 -1.53 0.00 0.00 34.83 31.57 1xkf s MET 8 CO 0.81 -1.79 0.62 -0.80 -2.03 0.00 0.00 175.02 171.83 1xkf s ASN 9 N -3.10 6.30 0.24 -1.18 0.01 -0.39 -4.91 114.94 111.91 1xkf s ASN 9 Ca 0.63 -0.42 -0.23 0.00 -0.71 0.00 0.00 52.86 52.13 1xkf s ASN 9 Cb -0.19 -2.31 -0.09 0.00 0.41 0.00 0.00 41.25 39.08 1xkf s ASN 9 CO 0.54 -0.76 0.81 0.00 -1.51 0.00 0.00 177.10 176.18 1xkf s ALA 10 N 2.73 3.35 -1.14 0.60 0.00 -1.26 -1.71 121.76 124.33 1xkf s ALA 10 Ca 0.21 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1xkf s ALA 10 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1xkf s ALA 10 CO 0.18 0.27 0.43 0.41 0.00 0.00 0.00 175.76 177.05 1xkf n GLY 11 N 0.86 -0.19 3.82 0.00 0.00 -0.33 -4.95 105.19 104.40 1xkf n GLY 11 Ca -0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1xkf n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xkf s VAL 12 N -3.00 4.06 0.31 1.61 -7.23 -1.26 -4.97 120.40 109.92 1xkf s VAL 12 Ca 0.21 0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 60.80 1xkf s VAL 12 Cb -0.09 -3.44 -0.12 0.00 0.56 0.00 0.00 36.38 33.29 1xkf s VAL 12 CO 0.26 -0.83 1.50 0.41 -0.31 0.00 0.00 175.10 176.13 1xkf n THR 13 N -2.92 1.33 -4.64 5.32 -1.04 -1.26 -4.96 114.28 106.11 1xkf n THR 13 Ca 0.08 -0.33 -0.32 0.00 -2.04 0.00 0.00 64.05 61.43 1xkf n THR 13 Cb 0.53 -1.82 -0.17 0.00 -1.82 0.00 0.00 70.33 67.06 1xkf n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xkf s VAL 15 N 0.84 4.51 0.49 0.00 0.11 -0.46 -4.77 120.40 121.11 1xkf s VAL 15 Ca -0.07 1.80 -0.23 0.00 -2.93 0.00 0.00 61.98 60.55 1xkf s VAL 15 Cb -0.15 -4.15 -0.06 0.00 -1.53 0.00 0.00 36.38 30.48 1xkf s VAL 15 CO -0.02 0.11 1.24 -0.83 -3.33 0.00 0.00 175.10 172.27 1xkf s GLY 16 N 1.09 2.82 0.55 6.54 0.00 -1.26 -1.09 107.32 115.97 1xkf s GLY 16 Ca 0.54 1.09 0.25 0.00 0.00 0.00 0.00 44.72 46.61 1xkf s GLY 16 CO 0.27 1.58 2.02 1.05 0.00 0.00 0.00 173.10 178.01 1xkf h GLU 17 N 1.85 0.00 -0.02 2.90 4.11 -1.45 -1.10 114.58 120.88 1xkf h GLU 17 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1xkf h GLU 17 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1xkf h GLU 17 CO 0.59 0.00 -0.00 0.72 0.07 0.00 0.00 179.01 180.39 1xkf n HIS 18 N -4.22 0.00 -2.69 2.06 8.25 -1.26 -1.27 115.22 116.10 1xkf n HIS 18 Ca 0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 1xkf n HIS 18 Cb 0.51 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 1xkf n HIS 18 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xkf s GLU 19 N -2.01 4.12 0.87 -0.41 2.02 -0.42 -4.85 118.70 118.02 1xkf s GLU 19 Ca 0.35 1.10 -0.12 0.00 0.02 0.00 0.00 54.97 56.32 1xkf s GLU 19 Cb 0.21 -2.16 0.11 0.00 0.10 0.00 0.00 34.13 32.39 1xkf s GLU 19 CO 0.33 -0.13 1.15 0.95 0.02 0.00 0.00 175.26 177.58 1xkf s THR 20 N -2.27 2.04 0.31 3.63 -4.23 -1.26 -0.90 115.64 112.95 1xkf s THR 20 Ca 0.62 0.01 0.07 0.00 -1.18 0.00 0.00 61.69 61.21 1xkf s THR 20 Cb -0.10 -2.86 0.06 0.00 1.34 0.00 0.00 72.50 70.95 1xkf s THR 20 CO 0.18 -0.02 1.74 -0.07 -0.54 0.00 0.00 174.62 175.92 1xkf h LEU 21 N -1.32 0.27 -0.73 4.79 3.38 -0.65 -1.62 115.31 119.42 1xkf h LEU 21 Ca -0.49 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.31 1xkf h LEU 21 Cb 1.33 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1xkf h LEU 21 CO 0.63 0.60 0.12 0.74 0.09 0.00 0.00 178.44 180.62 1xkf h THR 22 N 0.23 1.26 -0.46 0.22 2.02 -1.43 0.10 112.91 114.85 1xkf h THR 22 Ca 0.03 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 1xkf h THR 22 Cb 0.72 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1xkf h THR 22 CO 0.05 0.38 0.16 0.00 0.37 0.00 0.00 175.52 176.49 1xkf h ALA 23 N 1.10 0.60 -0.54 6.16 0.00 -1.71 -1.21 119.26 123.66 1xkf h ALA 23 Ca 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xkf h ALA 23 Cb 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xkf h ALA 23 CO 0.01 0.23 0.32 0.00 0.00 0.00 0.00 179.25 179.82 1xkf h ALA 24 N 1.01 0.69 -0.78 0.00 0.00 -0.90 -1.68 119.26 117.60 1xkf h ALA 24 Ca 0.15 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1xkf h ALA 24 Cb 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1xkf h ALA 24 CO -0.01 0.18 0.46 0.00 0.00 0.00 0.00 179.25 179.88 1xkf h ALA 25 N 1.16 1.06 -0.77 0.00 0.00 -0.44 -0.38 119.26 119.90 1xkf h ALA 25 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1xkf h ALA 25 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1xkf h ALA 25 CO -0.04 0.17 0.34 1.96 0.00 0.00 0.00 179.25 181.69 1xkf h GLN 26 N 0.84 1.13 -0.71 0.00 4.20 -0.70 -1.34 115.11 118.53 1xkf h GLN 26 Ca 0.34 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 1xkf h GLN 26 Cb 0.19 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1xkf h GLN 26 CO -0.18 0.90 0.23 1.88 -0.67 0.00 0.00 178.83 180.99 1xkf h TYR 27 N 1.10 1.13 -0.60 2.96 0.05 -0.39 0.11 116.97 121.34 1xkf h TYR 27 Ca 0.26 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 1xkf h TYR 27 Cb 0.17 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 1xkf h TYR 27 CO 0.01 0.90 0.26 0.52 -1.05 0.00 0.00 178.16 178.80 1xkf h MET 28 N 1.04 0.86 -0.03 4.88 2.86 -0.60 -0.27 114.93 123.66 1xkf h MET 28 Ca 0.23 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1xkf h MET 28 Cb 0.29 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1xkf h MET 28 CO -0.01 0.69 -0.13 -0.09 1.06 0.00 0.00 176.91 178.43 1xkf h ARG 29 N 0.85 0.14 -0.50 1.72 2.43 -0.84 -0.25 114.38 117.93 1xkf h ARG 29 Ca 0.21 -0.11 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 1xkf h ARG 29 Cb 0.13 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.62 1xkf h ARG 29 CO -0.02 0.76 -0.02 1.49 -1.51 0.00 0.00 179.97 180.67 1xkf h GLU 30 N -0.45 0.09 -0.23 0.20 4.81 -0.49 -1.82 114.58 116.69 1xkf h GLU 30 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xkf h GLU 30 Cb 0.78 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1xkf h GLU 30 CO 0.03 0.06 0.00 0.72 -0.73 0.00 0.00 179.01 179.09 1xkf n HIS 31 N -5.26 0.29 -3.86 0.92 8.25 -0.14 -4.97 115.22 110.45 1xkf n HIS 31 Ca 0.05 -0.14 -0.29 0.00 -0.26 0.00 0.00 57.72 57.08 1xkf n HIS 31 Cb 0.27 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.39 1xkf n HIS 31 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1xkf n ASP 32 N 1.11 -2.36 -4.28 0.41 2.03 -0.20 -4.99 116.55 108.28 1xkf n ASP 32 Ca 0.17 -1.03 -0.16 0.00 0.52 0.00 0.00 54.79 54.29 1xkf n ASP 32 Cb 0.53 -3.09 -0.10 0.00 -0.72 0.00 0.00 41.12 37.73 1xkf n ASP 32 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1xkf s ILE 33 N -3.75 1.39 -2.53 5.18 -4.36 -0.61 -5.03 121.20 111.48 1xkf s ILE 33 Ca 0.20 -2.03 0.21 0.00 -0.26 0.00 0.00 60.65 58.78 1xkf s ILE 33 Cb -0.08 -1.83 0.25 0.00 1.25 0.00 0.00 42.46 42.05 1xkf s ILE 33 CO 0.88 -0.62 1.24 0.61 0.24 0.00 0.00 174.94 177.29 1xkf n GLY 34 N -0.08 1.08 3.42 6.27 0.00 -1.26 -4.64 105.19 109.98 1xkf n GLY 34 Ca -0.11 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 1xkf n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkf s ALA 35 N -1.65 -1.35 0.01 4.61 0.00 -1.26 -0.76 121.76 121.36 1xkf s ALA 35 Ca 0.29 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.41 1xkf s ALA 35 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1xkf s ALA 35 CO 0.28 -0.30 -0.06 -0.51 0.00 0.00 0.00 175.76 175.17 1xkf s LEU 36 N -0.67 2.11 0.47 0.00 1.43 0.04 -4.97 118.68 117.08 1xkf s LEU 36 Ca -0.08 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 1xkf s LEU 36 Cb -0.03 -0.22 -0.09 0.00 0.03 0.00 0.00 46.19 45.87 1xkf s LEU 36 CO 0.05 -0.04 0.99 -2.16 0.23 0.00 0.00 176.35 175.42 1xkf s PRO 37 N -0.71 4.00 -0.14 1.29 0.04 -1.26 -0.91 135.00 137.31 1xkf s PRO 37 Ca -0.03 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 1xkf s PRO 37 Cb -0.05 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1xkf s PRO 37 CO 0.00 -0.24 -0.04 0.42 0.04 0.00 0.00 177.00 177.18 1xkf s ILE 38 N -2.15 3.87 0.11 0.56 1.01 0.99 -1.35 121.20 124.23 1xkf s ILE 38 Ca 0.64 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 61.01 1xkf s ILE 38 Cb -0.12 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1xkf s ILE 38 CO 0.18 0.51 -0.24 0.00 0.00 0.00 0.00 174.94 175.39 1xkf n GLY 40 N 1.08 1.74 3.75 0.00 0.00 0.77 -1.08 105.19 111.46 1xkf n GLY 40 Ca -0.19 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1xkf n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xkf s ASP 41 N -1.00 5.15 -1.51 1.61 1.01 -1.26 -3.74 116.67 116.92 1xkf s ASP 41 Ca 0.00 2.36 -0.10 0.00 0.71 0.00 0.00 52.55 55.52 1xkf s ASP 41 Cb 0.00 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.41 1xkf s ASP 41 CO 0.00 -1.62 0.75 0.47 0.21 0.00 0.00 175.17 174.98 1xkf n ASP 42 N -1.69 -2.74 -1.97 0.27 8.00 -1.26 -2.08 116.55 115.09 1xkf n ASP 42 Ca 0.13 -0.90 -0.20 0.00 0.71 0.00 0.00 54.79 54.53 1xkf n ASP 42 Cb 0.50 -3.41 -0.05 0.00 -0.02 0.00 0.00 41.12 38.14 1xkf n ASP 42 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1xkf n ASP 43 N -2.86 -5.60 -4.68 -2.24 8.00 -1.25 -4.81 116.55 103.12 1xkf n ASP 43 Ca -0.09 0.27 -0.43 0.00 0.71 0.00 0.00 54.79 55.25 1xkf n ASP 43 Cb 0.58 -4.82 -0.02 0.00 -0.02 0.00 0.00 41.12 36.84 1xkf n ASP 43 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xkf s ARG 44 N -4.35 4.33 0.16 -1.24 3.00 -0.88 -0.64 118.95 119.32 1xkf s ARG 44 Ca 0.00 1.61 -0.31 0.00 0.00 0.00 0.00 55.73 57.03 1xkf s ARG 44 Cb 0.00 -3.61 -0.08 0.00 0.00 0.00 0.00 34.95 31.26 1xkf s ARG 44 CO 0.00 -0.51 1.35 -1.17 0.00 0.00 0.00 175.30 174.98 1xkf s LEU 45 N 2.57 4.39 -0.01 2.53 2.96 -1.26 -0.16 118.68 129.70 1xkf s LEU 45 Ca 0.54 2.37 0.07 0.00 -0.22 0.00 0.00 54.13 56.88 1xkf s LEU 45 Cb -0.22 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.77 1xkf s LEU 45 CO 0.18 -0.59 0.18 1.41 -1.32 0.00 0.00 176.35 176.21 1xkf n HIS 46 N 3.28 0.00 -3.01 5.38 8.25 0.96 -4.85 115.22 125.24 1xkf n HIS 46 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1xkf n HIS 46 Cb 0.42 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1xkf n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xkf n GLY 47 N 1.87 -0.54 3.20 -1.41 0.00 -1.18 -4.88 105.19 102.25 1xkf n GLY 47 Ca -0.01 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 1xkf n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xkf s MET 48 N -2.00 1.04 -0.09 1.61 -1.94 -1.26 -0.01 119.30 116.65 1xkf s MET 48 Ca 0.00 -0.91 0.01 0.00 -1.71 0.00 0.00 55.69 53.08 1xkf s MET 48 Cb 0.00 -1.12 0.02 0.00 2.01 0.00 0.00 34.83 35.74 1xkf s MET 48 CO 0.00 0.27 -0.10 -1.17 -0.01 0.00 0.00 175.02 174.01 1xkf s LEU 49 N -1.41 1.45 0.33 -0.03 2.96 -0.09 -4.80 118.68 117.09 1xkf s LEU 49 Ca 0.03 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 1xkf s LEU 49 Cb -0.09 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 1xkf s LEU 49 CO 0.02 -0.04 0.40 0.42 -1.32 0.00 0.00 176.35 175.83 1xkf s THR 50 N 1.18 3.95 0.22 3.68 -4.23 -1.26 -0.78 115.64 118.39 1xkf s THR 50 Ca -0.05 -1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 59.25 1xkf s THR 50 Cb -0.14 -3.35 0.17 0.00 1.34 0.00 0.00 72.50 70.52 1xkf s THR 50 CO -0.03 -0.17 1.81 -2.24 -0.54 0.00 0.00 174.62 173.45 1xkf h ASP 51 N 1.04 1.10 -0.10 3.99 3.04 -1.31 -2.10 116.42 122.09 1xkf h ASP 51 Ca -0.46 -0.15 -0.06 0.00 -3.24 0.00 0.00 57.03 53.13 1xkf h ASP 51 Cb 1.25 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 39.24 1xkf h ASP 51 CO 0.55 0.94 -0.09 -0.09 -2.04 0.00 0.00 179.24 178.51 1xkf h ARG 52 N 1.19 0.40 -0.42 4.15 2.43 -1.95 -2.29 114.38 117.89 1xkf h ARG 52 Ca 0.28 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1xkf h ARG 52 Cb 0.14 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1xkf h ARG 52 CO -0.03 0.50 0.16 -0.44 -1.51 0.00 0.00 179.97 178.64 1xkf h ASP 53 N 0.38 0.17 -0.82 -3.80 3.32 -1.78 0.26 116.42 114.16 1xkf h ASP 53 Ca 0.08 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1xkf h ASP 53 Cb 0.40 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 1xkf h ASP 53 CO 0.02 0.14 0.51 0.40 -1.72 0.00 0.00 179.24 178.58 1xkf h ILE 54 N 0.33 1.05 -0.03 0.35 2.04 -1.16 0.41 117.51 120.49 1xkf h ILE 54 Ca 0.19 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1xkf h ILE 54 Cb 0.17 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1xkf h ILE 54 CO -0.19 0.17 -0.03 0.58 0.00 0.00 0.00 178.15 178.68 1xkf h VAL 55 N 0.94 1.39 0.09 1.67 2.07 -0.99 -0.54 116.25 120.87 1xkf h VAL 55 Ca 0.35 -1.20 -0.18 0.00 0.82 0.00 0.00 66.70 66.49 1xkf h VAL 55 Cb 0.13 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1xkf h VAL 55 CO -0.16 0.32 -0.88 0.40 0.02 0.00 0.00 177.57 177.27 1xkf h ILE 56 N -0.39 1.35 0.00 4.57 1.08 -0.37 0.27 117.51 124.02 1xkf h ILE 56 Ca 0.00 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1xkf h ILE 56 Cb 0.54 2.98 0.00 0.00 -3.07 0.00 0.00 36.82 37.27 1xkf h ILE 56 CO 0.01 0.64 -0.57 0.29 -0.69 0.00 0.00 178.15 177.83 1xkf n LYS 57 N -4.20 0.29 0.00 2.37 5.02 0.14 -3.65 118.16 118.13 1xkf n LYS 57 Ca -0.19 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1xkf n LYS 57 Cb 0.76 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1xkf n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xkf n GLY 58 N 1.34 -0.29 0.19 0.72 0.00 -0.83 -4.42 105.19 101.89 1xkf n GLY 58 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1xkf n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xkf h LEU 59 N 0.00 0.30 -1.79 0.99 3.38 -1.00 -1.56 115.31 115.62 1xkf h LEU 59 Ca 0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1xkf h LEU 59 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xkf h LEU 59 CO 0.00 0.21 -0.13 0.00 0.09 0.00 0.00 178.44 178.62 1xkf h ALA 60 N 1.25 1.20 -0.12 1.53 0.00 -1.08 -1.71 119.26 120.32 1xkf h ALA 60 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xkf h ALA 60 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xkf h ALA 60 CO -0.15 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1xkf n ALA 61 N -2.25 2.54 -0.97 0.00 0.00 -0.84 -4.91 120.51 114.08 1xkf n ALA 61 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1xkf n ALA 61 Cb 0.27 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1xkf n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xkf n GLY 62 N 1.10 0.50 3.81 0.00 0.00 -0.64 -5.02 105.19 104.93 1xkf n GLY 62 Ca 0.16 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1xkf n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkf s LEU 63 N 0.00 4.19 -0.44 0.99 1.43 -0.65 -5.01 118.68 119.19 1xkf s LEU 63 Ca 0.00 1.58 -0.25 0.00 -1.03 0.00 0.00 54.13 54.43 1xkf s LEU 63 Cb 0.00 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 42.21 1xkf s LEU 63 CO 0.00 -0.14 0.91 -0.62 0.23 0.00 0.00 176.35 176.74 1xkf s ASP 64 N -1.89 6.53 0.56 2.29 -1.08 -1.26 -4.34 116.67 117.49 1xkf s ASP 64 Ca 0.52 0.20 0.35 0.00 -0.52 0.00 0.00 52.55 53.10 1xkf s ASP 64 Cb -0.14 -2.45 1.91 0.00 -1.46 0.00 0.00 42.92 40.78 1xkf s ASP 64 CO 0.19 -1.00 2.07 1.55 0.52 0.00 0.00 175.17 178.51 1xkf h PRO 65 N 8.94 0.00 -0.00 4.34 0.13 -1.94 0.37 132.00 143.85 1xkf h PRO 65 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1xkf h PRO 65 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xkf h PRO 65 CO 1.01 0.00 -0.31 0.09 -0.23 0.00 0.00 178.00 178.56 1xkf n ASN 66 N -2.79 0.34 -0.01 1.44 3.02 -1.26 -1.14 115.26 114.86 1xkf n ASN 66 Ca -0.02 -0.03 -0.05 0.00 -0.03 0.00 0.00 54.58 54.45 1xkf n ASN 66 Cb 0.12 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 1xkf n ASN 66 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1xkf n THR 67 N -1.45 0.88 -1.70 3.41 -1.04 0.80 -4.92 114.28 110.25 1xkf n THR 67 Ca 0.07 0.12 -0.41 0.00 -2.04 0.00 0.00 64.05 61.79 1xkf n THR 67 Cb 0.33 -1.70 0.02 0.00 -1.82 0.00 0.00 70.33 67.16 1xkf n THR 67 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xkf n ALA 68 N -3.56 1.31 -2.74 2.41 0.00 0.96 -4.85 120.51 114.04 1xkf n ALA 68 Ca -0.09 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 1xkf n ALA 68 Cb 0.37 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 1xkf n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xkf s THR 69 N -1.22 4.28 0.33 0.00 -4.23 -1.26 -1.76 115.64 111.78 1xkf s THR 69 Ca 0.62 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 1xkf s THR 69 Cb -0.49 -3.39 0.17 0.00 1.34 0.00 0.00 72.50 70.13 1xkf s THR 69 CO 0.57 -0.30 1.89 0.00 -0.54 0.00 0.00 174.62 176.24 1xkf h ALA 70 N 1.38 1.37 -0.47 3.99 0.00 -1.10 -2.42 119.26 122.01 1xkf h ALA 70 Ca -0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1xkf h ALA 70 Cb 1.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1xkf h ALA 70 CO 0.60 0.45 0.25 0.78 0.00 0.00 0.00 179.25 181.33 1xkf h GLY 71 N 0.84 0.69 2.00 0.00 0.00 -1.43 -1.65 103.07 103.53 1xkf h GLY 71 Ca 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1xkf h GLY 71 CO 0.00 0.29 -0.09 0.83 0.00 0.00 0.00 176.54 177.57 1xkf h GLU 72 N 0.66 0.00 -0.01 4.80 5.08 -1.66 -2.67 114.58 120.77 1xkf h GLU 72 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xkf h GLU 72 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xkf h GLU 72 CO -0.03 0.09 -0.53 1.28 -1.00 0.00 0.00 179.01 178.82 1xkf n LEU 73 N -3.23 1.83 -4.87 1.33 4.32 -0.81 -5.04 117.00 110.52 1xkf n LEU 73 Ca 0.00 -0.72 -0.30 0.00 -0.02 0.00 0.00 56.01 54.97 1xkf n LEU 73 Cb 0.35 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.19 1xkf n LEU 73 CO 0.30 0.35 0.74 0.00 -1.22 0.00 0.00 177.39 177.56 1xkf s ALA 74 N -2.47 2.83 -0.22 -1.18 0.00 -0.69 -5.00 121.76 115.04 1xkf s ALA 74 Ca 0.16 -0.30 -0.18 0.00 0.00 0.00 0.00 51.96 51.64 1xkf s ALA 74 Cb 0.17 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.31 1xkf s ALA 74 CO 0.59 -1.18 0.57 -1.50 0.00 0.00 0.00 175.76 174.24 1xkf s ILE 78 N -3.32 -0.00 -0.02 0.00 -1.16 -1.26 -5.00 121.20 110.44 1xkf s ILE 78 Ca 0.58 0.01 -0.20 0.00 -0.51 0.00 0.00 60.65 60.53 1xkf s ILE 78 Cb -0.11 -0.80 0.04 0.00 0.61 0.00 0.00 42.46 42.19 1xkf s ILE 78 CO 0.52 0.00 0.43 -0.72 -2.81 0.00 0.00 174.94 172.36 1xkf s TYR 79 N 0.56 -0.33 -0.05 3.50 -0.85 -1.26 -5.13 117.35 113.80 1xkf s TYR 79 Ca -0.02 0.51 -0.29 0.00 -0.52 0.00 0.00 57.07 56.75 1xkf s TYR 79 Cb -0.05 0.20 0.09 0.00 0.38 0.00 0.00 41.96 42.59 1xkf s TYR 79 CO -0.03 -0.47 1.31 2.48 -1.52 0.00 0.00 175.55 177.32 1xkf n TYR 80 N 1.10 -0.25 -4.04 -3.49 0.18 -1.26 -4.39 117.16 105.00 1xkf n TYR 80 Ca -0.21 -0.64 -0.08 0.00 1.88 0.00 0.00 57.90 58.85 1xkf n TYR 80 Cb 0.57 0.28 -0.11 0.00 -0.38 0.00 0.00 39.34 39.70 1xkf n TYR 80 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1xkf s VAL 81 N -2.01 0.21 0.63 -3.48 -7.23 -0.71 -4.97 120.40 102.83 1xkf s VAL 81 Ca 0.31 -1.35 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 1xkf s VAL 81 Cb -0.01 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 1xkf s VAL 81 CO -0.01 -0.72 1.04 -0.62 -0.31 0.00 0.00 175.10 174.48 1xkf s ASP 82 N -2.16 5.79 0.55 4.85 2.15 -1.26 -1.06 116.67 125.53 1xkf s ASP 82 Ca -0.05 1.65 0.37 0.00 0.43 0.00 0.00 52.55 54.95 1xkf s ASP 82 Cb -0.02 -2.51 1.92 0.00 -0.30 0.00 0.00 42.92 42.02 1xkf s ASP 82 CO -0.05 -1.16 2.12 0.00 -0.17 0.00 0.00 175.17 175.91 1xkf h ALA 83 N -0.09 1.00 -0.48 3.66 0.00 -1.37 -1.50 119.26 120.49 1xkf h ALA 83 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xkf h ALA 83 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xkf h ALA 83 CO 0.58 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.10 1xkf n ASN 84 N -2.85 3.27 -4.76 0.00 0.23 -1.26 -0.81 115.26 109.08 1xkf n ASN 84 Ca -0.02 -1.97 -0.38 0.00 -0.53 0.00 0.00 54.58 51.69 1xkf n ASN 84 Cb 0.11 -0.31 0.02 0.00 -2.08 0.00 0.00 39.78 37.52 1xkf n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xkf s ALA 85 N -1.37 2.86 0.69 -2.53 0.00 -0.57 -4.70 121.76 116.14 1xkf s ALA 85 Ca 0.40 1.19 -0.07 0.00 0.00 0.00 0.00 51.96 53.49 1xkf s ALA 85 Cb 0.22 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.89 1xkf s ALA 85 CO 0.30 -1.13 1.00 -1.54 0.00 0.00 0.00 175.76 174.39 1xkf s SER 86 N -1.11 4.95 0.19 0.00 1.04 -1.26 -0.90 113.70 116.61 1xkf s SER 86 Ca 0.69 0.51 -0.11 0.00 0.48 0.00 0.00 55.95 57.51 1xkf s SER 86 Cb -0.36 -1.21 0.12 0.00 0.10 0.00 0.00 66.02 64.66 1xkf s SER 86 CO 0.43 -1.51 1.84 0.40 0.98 0.00 0.00 173.24 175.38 1xkf h ILE 87 N -0.53 1.19 -0.49 -1.02 2.04 -1.94 -0.34 117.51 116.42 1xkf h ILE 87 Ca -0.45 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.06 1xkf h ILE 87 Cb 1.31 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1xkf h ILE 87 CO 0.60 0.20 0.18 1.56 0.00 0.00 0.00 178.15 180.70 1xkf h GLN 88 N 0.91 0.36 -0.54 2.37 7.50 -1.95 0.78 115.11 124.53 1xkf h GLN 88 Ca 0.24 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 59.29 1xkf h GLN 88 Cb -0.03 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.39 1xkf h GLN 88 CO -0.05 0.24 0.03 0.93 -1.50 0.00 0.00 178.83 178.48 1xkf h GLU 89 N 0.37 0.91 -0.43 1.46 5.08 -1.79 -1.24 114.58 118.94 1xkf h GLU 89 Ca 0.23 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1xkf h GLU 89 Cb 0.23 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1xkf h GLU 89 CO -0.23 0.88 -0.01 0.52 -1.00 0.00 0.00 179.01 179.18 1xkf h MET 90 N 0.85 0.76 -0.45 2.33 2.86 -0.30 -2.56 114.93 118.41 1xkf h MET 90 Ca 0.16 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1xkf h MET 90 Cb 0.46 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1xkf h MET 90 CO 0.02 0.84 0.08 -0.07 1.06 0.00 0.00 176.91 178.83 1xkf h LEU 91 N 0.60 0.64 -0.44 1.22 3.38 -0.65 -1.99 115.31 118.08 1xkf h LEU 91 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xkf h LEU 91 Cb 0.50 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1xkf h LEU 91 CO 0.02 0.66 0.22 0.78 0.09 0.00 0.00 178.44 180.21 1xkf h ASN 92 N 0.66 0.56 -0.62 -0.43 2.35 -0.97 -0.86 115.58 116.28 1xkf h ASN 92 Ca 0.14 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1xkf h ASN 92 Cb 0.30 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1xkf h ASN 92 CO 0.00 0.52 0.10 0.58 -1.65 0.00 0.00 177.43 176.98 1xkf h VAL 93 N 0.56 1.26 -0.44 2.81 2.07 -1.16 -0.76 116.25 120.60 1xkf h VAL 93 Ca 0.15 -1.01 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 1xkf h VAL 93 Cb 0.09 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1xkf h VAL 93 CO -0.02 0.38 -0.20 0.24 0.02 0.00 0.00 177.57 177.99 1xkf h MET 94 N 0.99 0.86 -0.25 1.57 2.86 -1.13 -2.03 114.93 117.80 1xkf h MET 94 Ca 0.20 -0.35 -0.19 0.00 -2.06 0.00 0.00 59.70 57.30 1xkf h MET 94 Cb 0.43 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1xkf h MET 94 CO 0.01 0.99 -0.58 0.93 1.06 0.00 0.00 176.91 179.32 1xkf h GLU 95 N 0.75 0.80 -0.33 1.72 5.08 -0.97 0.15 114.58 121.79 1xkf h GLU 95 Ca 0.11 -0.52 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 1xkf h GLU 95 Cb 0.74 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1xkf h GLU 95 CO 0.06 1.15 -0.16 0.93 -1.00 0.00 0.00 179.01 179.99 1xkf h GLU 96 N 0.60 0.59 -0.05 2.33 5.08 -1.05 -2.98 114.58 119.09 1xkf h GLU 96 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1xkf h GLU 96 Cb 1.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1xkf h GLU 96 CO 0.12 0.73 0.00 0.72 -1.00 0.00 0.00 179.01 179.58 1xkf n HIS 97 N -4.16 0.03 -3.71 4.33 8.25 -0.77 -4.98 115.22 114.20 1xkf n HIS 97 Ca 0.01 -0.01 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 1xkf n HIS 97 Cb 0.36 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.50 1xkf n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xkf n GLN 98 N 1.31 -3.52 -4.25 -0.41 0.00 0.36 -5.00 117.38 105.87 1xkf n GLN 98 Ca 0.14 0.56 -0.14 0.00 0.00 0.00 0.00 57.00 57.56 1xkf n GLN 98 Cb 0.58 -4.85 -0.10 0.00 0.00 0.00 0.00 30.24 25.87 1xkf n GLN 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1xkf s VAL 99 N -3.66 0.83 -0.87 -0.39 -7.23 -0.21 -5.03 120.40 103.84 1xkf s VAL 99 Ca 0.15 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.39 1xkf s VAL 99 Cb -0.05 -2.08 0.08 0.00 0.56 0.00 0.00 36.38 34.89 1xkf s VAL 99 CO 0.83 -0.52 0.80 0.54 -0.31 0.00 0.00 175.10 176.43 1xkf n ARG 100 N -0.25 0.44 -4.67 4.82 5.12 -1.26 -4.57 116.66 116.29 1xkf n ARG 100 Ca -0.07 -1.07 -0.23 0.00 -1.93 0.00 0.00 57.85 54.55 1xkf n ARG 100 Cb 0.63 -1.15 -0.15 0.00 -1.16 0.00 0.00 32.46 30.63 1xkf n ARG 100 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1xkf s ARG 101 N -0.67 1.23 -0.05 5.56 0.52 -1.26 -0.37 118.95 123.91 1xkf s ARG 101 Ca 0.09 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1xkf s ARG 101 Cb 0.06 -1.17 0.03 0.00 0.52 0.00 0.00 34.95 34.40 1xkf s ARG 101 CO 0.09 0.29 0.12 0.08 0.02 0.00 0.00 175.30 175.90 1xkf s VAL 102 N -0.26 -0.04 0.34 3.52 1.01 0.28 -4.99 120.40 120.27 1xkf s VAL 102 Ca 0.04 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 1xkf s VAL 102 Cb -0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 1xkf s VAL 102 CO -0.00 0.07 1.12 -2.84 0.00 0.00 0.00 175.10 173.45 1xkf s PRO 103 N 1.00 4.35 -0.14 2.72 0.02 -1.26 -0.90 135.00 140.79 1xkf s PRO 103 Ca -0.08 1.78 -0.02 0.00 0.02 0.00 0.00 61.00 62.70 1xkf s PRO 103 Cb -0.10 -2.89 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 1xkf s PRO 103 CO -0.05 -0.04 -0.07 0.08 -0.33 0.00 0.00 177.00 176.59 1xkf s VAL 104 N -1.34 3.59 0.12 3.83 1.01 0.62 -1.74 120.40 126.49 1xkf s VAL 104 Ca 0.51 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 62.12 1xkf s VAL 104 Cb -0.30 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1xkf s VAL 104 CO 0.38 0.51 -0.23 -0.63 0.00 0.00 0.00 175.10 175.14 1xkf s ILE 105 N 0.26 2.52 -0.19 2.22 -1.09 -0.22 -0.53 121.20 124.17 1xkf s ILE 105 Ca -0.05 -1.63 -0.10 0.00 -2.23 0.00 0.00 60.65 56.63 1xkf s ILE 105 Cb -0.14 -2.13 0.06 0.00 -1.58 0.00 0.00 42.46 38.66 1xkf s ILE 105 CO 0.04 0.10 0.45 -0.55 -1.23 0.00 0.00 174.94 173.75 1xkf s SER 106 N -2.07 -0.58 -1.46 3.58 0.15 -0.15 -0.89 113.70 112.28 1xkf s SER 106 Ca 0.16 0.99 -0.08 0.00 0.70 0.00 0.00 55.95 57.71 1xkf s SER 106 Cb -0.10 0.87 0.05 0.00 -1.71 0.00 0.00 66.02 65.13 1xkf s SER 106 CO 0.08 -0.20 0.83 -0.62 1.20 0.00 0.00 173.24 174.52 1xkf n GLU 107 N 4.27 -4.99 -1.01 5.44 -0.58 -1.26 -1.54 120.64 120.97 1xkf n GLU 107 Ca -0.23 0.57 -0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1xkf n GLU 107 Cb 0.56 -5.27 -0.00 0.00 -0.57 0.00 0.00 31.44 26.15 1xkf n GLU 107 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1xkf n HIS 108 N -4.51 0.00 -4.34 -0.32 8.25 -1.26 -4.99 115.22 108.05 1xkf n HIS 108 Ca -0.10 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.09 1xkf n HIS 108 Cb 0.59 -1.36 -0.13 0.00 1.12 0.00 0.00 29.99 30.22 1xkf n HIS 108 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1xkf s ARG 109 N -1.37 1.27 0.08 -0.41 0.52 -0.59 -4.52 118.95 113.93 1xkf s ARG 109 Ca 0.00 -1.27 -0.31 0.00 -0.52 0.00 0.00 55.73 53.63 1xkf s ARG 109 Cb 0.00 -1.64 -0.07 0.00 0.52 0.00 0.00 34.95 33.77 1xkf s ARG 109 CO 0.00 0.38 1.29 -1.17 0.02 0.00 0.00 175.30 175.82 1xkf s LEU 110 N -2.03 4.37 -0.00 2.53 2.96 0.19 -0.98 118.68 125.72 1xkf s LEU 110 Ca 0.11 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 1xkf s LEU 110 Cb -0.10 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 1xkf s LEU 110 CO 0.05 -0.56 0.01 1.33 -1.32 0.00 0.00 176.35 175.87 1xkf n VAL 111 N 3.96 0.00 -1.21 1.68 0.24 0.31 -4.91 118.33 118.40 1xkf n VAL 111 Ca 0.10 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1xkf n VAL 111 Cb 0.45 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 1xkf n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xkf n GLY 112 N 1.13 -1.52 3.04 7.63 0.00 -1.17 -1.18 105.19 113.12 1xkf n GLY 112 Ca 0.00 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 1xkf n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xkf s ILE 113 N -2.37 0.81 -0.07 -0.61 -1.09 -0.69 -0.28 121.20 116.91 1xkf s ILE 113 Ca 0.00 -0.43 0.05 0.00 -2.23 0.00 0.00 60.65 58.04 1xkf s ILE 113 Cb 0.00 -0.69 -0.01 0.00 -1.58 0.00 0.00 42.46 40.19 1xkf s ILE 113 CO 0.00 0.23 -0.25 -0.69 -1.23 0.00 0.00 174.94 173.01 1xkf s VAL 114 N -0.19 2.06 0.31 2.92 1.01 -0.08 -1.26 120.40 125.17 1xkf s VAL 114 Ca 0.03 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1xkf s VAL 114 Cb -0.04 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1xkf s VAL 114 CO -0.00 0.57 0.12 0.42 0.00 0.00 0.00 175.10 176.20 1xkf s THR 115 N 0.01 3.33 0.26 3.92 -4.23 -1.26 -0.55 115.64 117.12 1xkf s THR 115 Ca -0.09 -1.70 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1xkf s THR 115 Cb -0.15 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 70.83 1xkf s THR 115 CO 0.06 -0.25 1.80 -0.08 -0.54 0.00 0.00 174.62 175.61 1xkf h GLU 116 N 1.61 0.93 -0.23 3.99 4.81 -1.08 -1.68 114.58 122.93 1xkf h GLU 116 Ca -0.44 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.52 1xkf h GLU 116 Cb 1.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1xkf h GLU 116 CO 0.62 0.82 -0.19 0.00 -0.73 0.00 0.00 179.01 179.53 1xkf h ALA 117 N 1.28 1.26 -0.51 2.92 0.00 -1.95 -2.08 119.26 120.17 1xkf h ALA 117 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xkf h ALA 117 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xkf h ALA 117 CO -0.00 0.49 0.27 -0.44 0.00 0.00 0.00 179.25 179.57 1xkf h ASP 118 N 0.36 0.65 -0.30 0.00 3.32 -1.70 -0.94 116.42 117.81 1xkf h ASP 118 Ca 0.06 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1xkf h ASP 118 Cb 0.55 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1xkf h ASP 118 CO 0.04 0.56 0.16 0.40 -1.72 0.00 0.00 179.24 178.67 1xkf h ILE 119 N 0.68 1.14 -0.68 0.35 2.04 -1.05 -1.94 117.51 118.06 1xkf h ILE 119 Ca 0.18 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1xkf h ILE 119 Cb 0.06 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1xkf h ILE 119 CO -0.03 0.14 0.41 0.00 0.00 0.00 0.00 178.15 178.68 1xkf h ALA 120 N 1.02 0.89 0.00 1.87 0.00 -1.08 -2.11 119.26 119.85 1xkf h ALA 120 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xkf h ALA 120 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xkf h ALA 120 CO -0.02 0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.28 1xkf n ARG 121 N -4.71 0.11 0.00 0.00 1.85 -0.38 -3.10 116.66 110.43 1xkf n ARG 121 Ca 0.07 0.14 0.11 0.00 -1.00 0.00 0.00 57.85 57.18 1xkf n ARG 121 Cb 0.11 -1.65 0.04 0.00 -1.05 0.00 0.00 32.46 29.92 1xkf n ARG 121 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1xkf n HIS 122 N -1.85 0.00 -2.76 2.89 8.25 -0.75 -4.90 115.22 116.11 1xkf n HIS 122 Ca 0.06 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 1xkf n HIS 122 Cb 0.34 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 1xkf n HIS 122 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xkf s LEU 123 N -2.70 4.55 0.00 2.41 1.43 -0.93 -5.08 118.68 118.35 1xkf s LEU 123 Ca 0.15 1.82 0.09 0.00 -1.03 0.00 0.00 54.13 55.16 1xkf s LEU 123 Cb 0.18 -3.56 0.54 0.00 0.03 0.00 0.00 46.19 43.37 1xkf s LEU 123 CO 0.67 0.02 0.99 -0.81 0.23 0.00 0.00 176.35 177.45