#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkf s THR 2 N 0.00 4.05 0.42 3.17 2.01 -1.26 -5.05 115.64 118.98 1xkf s THR 2 Ca 0.00 1.58 0.05 0.00 0.31 0.00 0.00 61.69 63.63 1xkf s THR 2 Cb 0.00 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 1xkf s THR 2 CO 0.00 0.18 0.02 0.42 -0.69 0.00 0.00 174.62 174.55 1xkf s THR 3 N 0.54 1.70 0.31 -0.82 -4.23 -1.26 -4.22 115.64 107.66 1xkf s THR 3 Ca 0.54 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1xkf s THR 3 Cb -0.29 -2.80 0.28 0.00 1.34 0.00 0.00 72.50 71.03 1xkf s THR 3 CO 0.31 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.33 1xkf h ALA 4 N 1.74 1.52 -0.77 3.99 0.00 -0.90 -1.27 119.26 123.56 1xkf h ALA 4 Ca -0.43 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1xkf h ALA 4 Cb 1.26 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1xkf h ALA 4 CO 0.78 0.38 0.51 -0.09 0.00 0.00 0.00 179.25 180.83 1xkf h ARG 5 N 1.00 0.96 -0.34 0.00 2.43 -1.51 0.46 114.38 117.37 1xkf h ARG 5 Ca 0.34 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.34 1xkf h ARG 5 Cb 0.10 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1xkf h ARG 5 CO -0.11 0.63 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.27 1xkf h ASP 6 N 0.98 0.71 0.42 -3.80 3.45 -1.53 -3.33 116.42 113.33 1xkf h ASP 6 Ca 0.30 -0.27 -0.31 0.00 0.43 0.00 0.00 57.03 57.18 1xkf h ASP 6 Cb -0.01 -0.20 -0.05 0.00 -0.56 0.00 0.00 39.33 38.52 1xkf h ASP 6 CO -0.08 0.95 -1.77 -0.38 -1.57 0.00 0.00 179.24 176.39 1xkf n ILE 7 N -4.09 1.63 -0.84 0.35 5.41 -0.73 -5.01 119.36 116.08 1xkf n ILE 7 Ca -0.00 -0.78 -0.31 0.00 1.00 0.00 0.00 62.75 62.66 1xkf n ILE 7 Cb 0.45 -1.14 0.15 0.00 -0.71 0.00 0.00 39.64 38.39 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 -2.59 1.32 -0.56 0.38 0.23 0.15 -4.86 119.30 113.37 1xkf s MET 8 Ca -0.08 1.47 -0.20 0.00 -1.03 0.00 0.00 55.69 55.85 1xkf s MET 8 Cb 0.08 -1.77 0.07 0.00 -1.53 0.00 0.00 34.83 31.68 1xkf s MET 8 CO 0.82 -2.39 0.76 -0.80 -2.03 0.00 0.00 175.02 171.37 1xkf s ASN 9 N -2.82 6.22 0.26 -1.18 0.01 0.17 -4.89 114.94 112.71 1xkf s ASN 9 Ca 0.66 -0.96 -0.27 0.00 -0.71 0.00 0.00 52.86 51.58 1xkf s ASN 9 Cb -0.22 -2.34 -0.09 0.00 0.41 0.00 0.00 41.25 39.01 1xkf s ASN 9 CO 0.57 -1.10 0.90 0.00 -1.51 0.00 0.00 177.10 175.96 1xkf s ALA 10 N 3.11 3.31 -0.31 0.60 0.00 -1.26 -1.99 121.76 125.23 1xkf s ALA 10 Ca 0.18 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 1xkf s ALA 10 Cb -0.19 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1xkf s ALA 10 CO 0.11 0.22 0.26 0.41 0.00 0.00 0.00 175.76 176.76 1xkf n GLY 11 N 1.06 0.39 3.92 0.00 0.00 -1.00 -4.98 105.19 104.58 1xkf n GLY 11 Ca -0.01 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.08 4.70 0.11 1.61 -7.23 -1.26 -5.04 120.40 110.20 1xkf s VAL 12 Ca 0.06 -0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 59.93 1xkf s VAL 12 Cb -0.03 -3.78 -0.06 0.00 0.56 0.00 0.00 36.38 33.08 1xkf s VAL 12 CO 0.18 -0.70 0.92 -0.89 -0.31 0.00 0.00 175.10 174.29 1xkf s THR 13 N -2.68 4.50 -0.28 5.32 2.01 -1.26 -4.95 115.64 118.30 1xkf s THR 13 Ca 0.47 1.98 -0.08 0.00 0.31 0.00 0.00 61.69 64.37 1xkf s THR 13 Cb -0.10 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 1xkf s THR 13 CO 0.43 0.35 0.09 0.00 -0.69 0.00 0.00 174.62 174.80 1xkf s VAL 15 N 1.57 2.95 0.28 0.00 1.01 -0.50 -4.65 120.40 121.07 1xkf s VAL 15 Ca 0.05 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 1xkf s VAL 15 Cb -0.16 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1xkf s VAL 15 CO 0.04 0.19 1.45 -0.83 0.00 0.00 0.00 175.10 175.94 1xkf s GLY 16 N -0.72 2.46 0.56 4.51 0.00 -1.26 -1.14 107.32 111.73 1xkf s GLY 16 Ca 0.50 1.38 0.25 0.00 0.00 0.00 0.00 44.72 46.85 1xkf s GLY 16 CO 0.47 2.26 2.10 1.05 0.00 0.00 0.00 173.10 178.99 1xkf h GLU 17 N 4.54 0.00 -0.01 2.90 4.11 -1.38 -1.32 114.58 123.41 1xkf h GLU 17 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1xkf h GLU 17 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1xkf h GLU 17 CO 0.75 0.00 -0.04 0.72 0.07 0.00 0.00 179.01 180.51 1xkf n HIS 18 N -4.13 0.00 -2.09 2.06 8.25 -1.26 -0.52 115.22 117.52 1xkf n HIS 18 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1xkf n HIS 18 Cb 0.31 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.08 4.29 0.81 -0.41 0.41 -0.50 -4.79 118.70 116.43 1xkf s GLU 19 Ca 0.37 2.23 -0.11 0.00 -0.41 0.00 0.00 54.97 57.05 1xkf s GLU 19 Cb 0.21 -3.02 0.08 0.00 -1.78 0.00 0.00 34.13 29.61 1xkf s GLU 19 CO 0.37 -0.25 1.09 0.95 -0.49 0.00 0.00 175.26 176.93 1xkf s THR 20 N -1.16 3.09 0.36 3.63 -4.23 -1.26 -0.05 115.64 116.03 1xkf s THR 20 Ca 0.50 0.36 0.07 0.00 -1.18 0.00 0.00 61.69 61.44 1xkf s THR 20 Cb -0.40 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.61 1xkf s THR 20 CO 0.53 -0.46 1.90 -0.07 -0.54 0.00 0.00 174.62 175.97 1xkf h LEU 21 N -1.19 0.36 -0.41 4.79 3.38 -0.86 -0.38 115.31 121.01 1xkf h LEU 21 Ca -0.47 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 1xkf h LEU 21 Cb 1.26 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1xkf h LEU 21 CO 0.56 0.47 0.04 0.74 0.09 0.00 0.00 178.44 180.34 1xkf h THR 22 N 0.37 1.25 -0.45 0.22 2.02 -1.54 0.05 112.91 114.83 1xkf h THR 22 Ca 0.08 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.26 1xkf h THR 22 Cb 0.35 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1xkf h THR 22 CO 0.02 0.32 0.03 0.00 0.37 0.00 0.00 175.52 176.26 1xkf h ALA 23 N 0.91 1.22 -0.25 6.16 0.00 -1.69 -0.44 119.26 125.16 1xkf h ALA 23 Ca 0.12 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1xkf h ALA 23 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xkf h ALA 23 CO 0.01 0.52 -0.34 0.00 0.00 0.00 0.00 179.25 179.44 1xkf h ALA 24 N 1.36 0.94 -0.34 0.00 0.00 -0.73 -0.33 119.26 120.14 1xkf h ALA 24 Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1xkf h ALA 24 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xkf h ALA 24 CO 0.01 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1xkf h ALA 25 N 1.17 0.46 -0.81 0.00 0.00 -0.41 -0.39 119.26 119.28 1xkf h ALA 25 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1xkf h ALA 25 Cb 0.82 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1xkf h ALA 25 CO 0.07 0.22 0.45 1.96 0.00 0.00 0.00 179.25 181.94 1xkf h GLN 26 N 0.41 1.12 -0.46 0.00 4.20 -0.87 -1.47 115.11 118.04 1xkf h GLN 26 Ca 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1xkf h GLN 26 Cb 0.45 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1xkf h GLN 26 CO 0.02 0.81 0.15 -0.92 -0.67 0.00 0.00 178.83 178.22 1xkf h TYR 27 N 1.12 0.73 -0.58 2.96 3.20 -0.71 0.15 116.97 123.84 1xkf h TYR 27 Ca 0.29 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1xkf h TYR 27 Cb 0.01 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1xkf h TYR 27 CO 0.01 0.65 0.27 0.52 -1.64 0.00 0.00 178.16 177.96 1xkf h MET 28 N 0.60 0.82 -0.00 1.82 2.86 -0.54 -0.32 114.93 120.18 1xkf h MET 28 Ca 0.15 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1xkf h MET 28 Cb 0.25 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1xkf h MET 28 CO -0.01 0.64 -0.00 -0.09 1.06 0.00 0.00 176.91 178.51 1xkf h ARG 29 N 0.82 0.00 -0.99 1.72 2.43 -0.95 -0.66 114.38 116.75 1xkf h ARG 29 Ca 0.20 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.50 1xkf h ARG 29 Cb 0.10 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 1xkf h ARG 29 CO -0.03 0.64 0.62 1.49 -1.51 0.00 0.00 179.97 181.18 1xkf h GLU 30 N -0.64 0.92 -0.36 0.20 4.57 -0.50 -2.70 114.58 116.07 1xkf h GLU 30 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1xkf h GLU 30 Cb 0.64 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1xkf h GLU 30 CO 0.00 0.61 0.00 0.72 -1.18 0.00 0.00 179.01 179.16 1xkf n HIS 31 N -4.65 0.81 -3.87 0.92 8.25 -0.15 -5.00 115.22 111.52 1xkf n HIS 31 Ca 0.19 -0.66 -0.38 0.00 -0.26 0.00 0.00 57.72 56.61 1xkf n HIS 31 Cb 0.38 -0.17 0.03 0.00 1.12 0.00 0.00 29.99 31.35 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 0.23 -4.61 -3.98 0.41 2.03 -0.36 -4.98 116.55 105.29 1xkf n ASP 32 Ca 0.18 -1.15 -0.09 0.00 0.52 0.00 0.00 54.79 54.25 1xkf n ASP 32 Cb 0.68 -2.58 -0.10 0.00 -0.72 0.00 0.00 41.12 38.40 1xkf n ASP 32 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xkf s ILE 33 N -3.51 0.15 0.00 5.18 2.07 -0.57 -5.05 121.20 119.46 1xkf s ILE 33 Ca 0.47 -1.24 0.00 0.00 -1.41 0.00 0.00 60.65 58.47 1xkf s ILE 33 Cb -0.21 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.47 1xkf s ILE 33 CO 0.91 -0.68 0.50 0.61 -1.91 0.00 0.00 174.94 174.37 1xkf n GLY 34 N 0.78 -0.45 2.72 1.50 0.00 -1.26 -4.55 105.19 103.93 1xkf n GLY 34 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.16 0.12 -0.06 4.61 0.00 -1.26 -0.89 121.76 124.12 1xkf s ALA 35 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.31 1xkf s ALA 35 Cb 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1xkf s ALA 35 CO 0.00 -0.46 -0.23 -0.51 0.00 0.00 0.00 175.76 174.55 1xkf s LEU 36 N 2.07 2.04 0.07 0.00 1.43 0.99 -4.95 118.68 120.32 1xkf s LEU 36 Ca 0.03 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 1xkf s LEU 36 Cb -0.12 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 1xkf s LEU 36 CO -0.04 0.22 0.95 -2.16 0.23 0.00 0.00 176.35 175.55 1xkf s PRO 37 N -0.05 4.64 -0.14 1.29 0.04 -1.26 -0.85 135.00 138.66 1xkf s PRO 37 Ca -0.06 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.37 1xkf s PRO 37 Cb -0.14 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 1xkf s PRO 37 CO 0.04 0.14 -0.06 0.42 0.04 0.00 0.00 177.00 177.58 1xkf s ILE 38 N 0.29 3.68 0.17 0.56 -1.09 0.11 -1.41 121.20 123.51 1xkf s ILE 38 Ca 0.48 -0.44 0.06 0.00 -2.23 0.00 0.00 60.65 58.51 1xkf s ILE 38 Cb -0.22 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 1xkf s ILE 38 CO 0.29 0.51 -0.12 0.00 -1.23 0.00 0.00 174.94 174.39 1xkf n GLY 40 N -0.25 0.88 3.64 0.00 0.00 0.15 -0.94 105.19 108.68 1xkf n GLY 40 Ca -0.10 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 1xkf n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xkf n ASP 41 N -2.93 1.18 -2.11 1.61 8.00 -1.26 -3.14 116.55 117.90 1xkf n ASP 41 Ca 0.07 0.85 -0.15 0.00 0.71 0.00 0.00 54.79 56.27 1xkf n ASP 41 Cb 0.25 -1.43 0.03 0.00 -0.02 0.00 0.00 41.12 39.95 1xkf n ASP 41 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xkf n ASP 42 N -0.80 -4.60 -3.95 -2.24 4.64 -1.26 -3.39 116.55 104.95 1xkf n ASP 42 Ca 0.13 -0.21 -0.31 0.00 -1.38 0.00 0.00 54.79 53.02 1xkf n ASP 42 Cb 0.46 -3.44 0.01 0.00 -1.04 0.00 0.00 41.12 37.12 1xkf n ASP 42 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1xkf n ASP 43 N -1.09 -4.54 -4.56 1.67 10.43 -1.19 -4.83 116.55 112.44 1xkf n ASP 43 Ca -0.07 -0.81 -0.43 0.00 2.57 0.00 0.00 54.79 56.06 1xkf n ASP 43 Cb 0.58 -3.64 -0.04 0.00 1.84 0.00 0.00 41.12 39.85 1xkf n ASP 43 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1xkf s ARG 44 N -6.66 3.54 0.13 -1.24 1.81 -1.19 -1.28 118.95 114.06 1xkf s ARG 44 Ca 0.68 0.13 -0.31 0.00 -1.72 0.00 0.00 55.73 54.51 1xkf s ARG 44 Cb -0.35 -3.91 -0.10 0.00 -0.45 0.00 0.00 34.95 30.14 1xkf s ARG 44 CO 0.83 -1.15 1.70 -1.17 -0.68 0.00 0.00 175.30 174.83 1xkf s LEU 45 N 3.57 4.38 -0.00 2.53 2.96 -1.26 -0.67 118.68 130.19 1xkf s LEU 45 Ca 0.35 2.66 0.08 0.00 -0.22 0.00 0.00 54.13 56.99 1xkf s LEU 45 Cb -0.11 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 1xkf s LEU 45 CO 0.24 -0.92 0.33 1.41 -1.32 0.00 0.00 176.35 176.08 1xkf n HIS 46 N 5.07 0.00 -0.63 5.38 8.25 0.18 -4.91 115.22 128.56 1xkf n HIS 46 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1xkf n HIS 46 Cb 0.39 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 1.25 -0.27 3.52 -1.41 0.00 -1.17 -3.84 105.19 103.28 1xkf n GLY 47 Ca 0.01 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.64 2.31 -0.11 1.61 -1.94 -0.61 -0.71 119.30 118.21 1xkf s MET 48 Ca 0.00 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.13 1xkf s MET 48 Cb 0.00 -2.34 0.02 0.00 2.01 0.00 0.00 34.83 34.52 1xkf s MET 48 CO 0.00 0.57 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.29 1xkf s LEU 49 N -1.42 1.49 0.32 -0.03 2.96 -0.03 -4.35 118.68 117.62 1xkf s LEU 49 Ca 0.16 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1xkf s LEU 49 Cb -0.11 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 1xkf s LEU 49 CO 0.06 -0.05 0.25 0.42 -1.32 0.00 0.00 176.35 175.71 1xkf s THR 50 N 1.35 3.61 0.25 3.68 -4.23 -1.26 -0.01 115.64 119.03 1xkf s THR 50 Ca -0.00 -1.44 -0.06 0.00 -1.18 0.00 0.00 61.69 59.02 1xkf s THR 50 Cb -0.14 -3.18 0.25 0.00 1.34 0.00 0.00 72.50 70.77 1xkf s THR 50 CO -0.06 -0.21 1.92 -2.24 -0.54 0.00 0.00 174.62 173.49 1xkf h ASP 51 N 1.35 1.13 -0.60 3.99 3.04 -1.38 -1.71 116.42 122.24 1xkf h ASP 51 Ca -0.45 -0.05 -0.03 0.00 -3.24 0.00 0.00 57.03 53.26 1xkf h ASP 51 Cb 1.25 -0.28 -0.03 0.00 -1.04 0.00 0.00 39.33 39.23 1xkf h ASP 51 CO 0.59 0.84 0.28 -0.09 -2.04 0.00 0.00 179.24 178.82 1xkf h ARG 52 N 1.31 0.90 -0.57 4.15 2.43 -1.95 -2.52 114.38 118.13 1xkf h ARG 52 Ca 0.35 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 1xkf h ARG 52 Cb -0.11 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.23 1xkf h ARG 52 CO -0.07 0.72 0.32 -0.44 -1.51 0.00 0.00 179.97 178.98 1xkf h ASP 53 N 0.89 0.48 -1.00 -3.80 3.32 -1.71 0.11 116.42 114.72 1xkf h ASP 53 Ca 0.22 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.37 1xkf h ASP 53 Cb 0.13 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 1xkf h ASP 53 CO -0.02 0.33 0.64 0.40 -1.72 0.00 0.00 179.24 178.86 1xkf h ILE 54 N 0.61 1.03 -0.00 0.35 2.04 -1.17 0.53 117.51 120.90 1xkf h ILE 54 Ca 0.24 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1xkf h ILE 54 Cb 0.10 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 1xkf h ILE 54 CO -0.14 0.20 -0.02 0.58 0.00 0.00 0.00 178.15 178.77 1xkf h VAL 55 N 1.11 1.57 0.08 1.67 2.07 -1.24 -0.70 116.25 120.81 1xkf h VAL 55 Ca 0.45 -1.70 -0.14 0.00 0.82 0.00 0.00 66.70 66.13 1xkf h VAL 55 Cb 0.27 2.72 0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1xkf h VAL 55 CO -0.20 0.44 -0.59 0.40 0.02 0.00 0.00 177.57 177.64 1xkf h ILE 56 N -0.69 1.54 0.00 4.57 1.08 -0.61 0.23 117.51 123.63 1xkf h ILE 56 Ca -0.00 -2.35 0.00 0.00 -0.39 0.00 0.00 64.86 62.12 1xkf h ILE 56 Cb 0.74 3.06 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 1xkf h ILE 56 CO 0.00 0.66 -0.88 0.29 -0.69 0.00 0.00 178.15 177.53 1xkf n LYS 57 N -4.25 0.43 0.00 2.37 5.02 0.18 -3.76 118.16 118.15 1xkf n LYS 57 Ca -0.12 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1xkf n LYS 57 Cb 0.71 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 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 1.28 -0.32 0.16 0.72 0.00 -0.91 -4.33 105.19 101.78 1xkf n GLY 58 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 0.05 -2.09 0.99 3.38 -0.94 -1.35 115.31 115.36 1xkf h LEU 59 Ca 0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1xkf h LEU 59 Cb 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xkf h LEU 59 CO 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 178.44 178.54 1xkf h ALA 60 N 1.26 1.12 -0.39 1.53 0.00 -0.69 -1.78 119.26 120.31 1xkf h ALA 60 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xkf h ALA 60 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xkf h ALA 60 CO -0.21 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1xkf n ALA 61 N -2.17 2.45 -1.01 0.00 0.00 -0.69 -4.93 120.51 114.15 1xkf n ALA 61 Ca -0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 53.44 52.59 1xkf n ALA 61 Cb 0.21 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.33 0.46 3.80 0.00 0.00 -0.67 -5.01 105.19 105.09 1xkf n GLY 62 Ca 0.18 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.08 4.10 -0.37 0.99 1.43 -0.59 -5.01 118.68 119.15 1xkf s LEU 63 Ca 0.00 1.85 -0.26 0.00 -1.03 0.00 0.00 54.13 54.69 1xkf s LEU 63 Cb 0.00 -4.29 0.01 0.00 0.03 0.00 0.00 46.19 41.94 1xkf s LEU 63 CO 0.00 -0.35 0.92 -0.62 0.23 0.00 0.00 176.35 176.53 1xkf s ASP 64 N -1.83 6.67 0.64 2.29 -1.08 -1.26 -4.39 116.67 117.72 1xkf s ASP 64 Ca 0.58 0.57 0.43 0.00 -0.52 0.00 0.00 52.55 53.60 1xkf s ASP 64 Cb -0.16 -2.46 2.33 0.00 -1.46 0.00 0.00 42.92 41.17 1xkf s ASP 64 CO 0.21 -0.85 2.32 1.55 0.52 0.00 0.00 175.17 178.91 1xkf h PRO 65 N 8.48 0.00 -0.01 4.34 0.13 -1.94 0.24 132.00 143.23 1xkf h PRO 65 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 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 0.98 0.00 -0.19 0.09 -0.23 0.00 0.00 178.00 178.65 1xkf n ASN 66 N -3.01 1.11 0.00 1.44 3.02 -1.26 -1.44 115.26 115.12 1xkf n ASN 66 Ca -0.03 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1xkf n ASN 66 Cb 0.07 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1xkf n ASN 66 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1xkf n THR 67 N -0.47 0.00 -1.93 3.41 -2.24 -0.62 -4.95 114.28 107.47 1xkf n THR 67 Ca 0.14 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.53 1xkf n THR 67 Cb 0.35 -0.34 0.02 0.00 -2.10 0.00 0.00 70.33 68.26 1xkf n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xkf s ALA 68 N -1.60 2.97 0.31 6.98 0.00 0.74 -4.90 121.76 126.26 1xkf s ALA 68 Ca 0.00 1.24 0.08 0.00 0.00 0.00 0.00 51.96 53.28 1xkf s ALA 68 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1xkf s ALA 68 CO 0.00 -1.11 0.15 0.95 0.00 0.00 0.00 175.76 175.75 1xkf s THR 69 N -1.34 3.37 0.28 0.00 -4.23 -1.26 -1.87 115.64 110.60 1xkf s THR 69 Ca 0.66 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1xkf s THR 69 Cb -0.38 -3.04 0.22 0.00 1.34 0.00 0.00 72.50 70.64 1xkf s THR 69 CO 0.46 -0.24 1.91 0.00 -0.54 0.00 0.00 174.62 176.21 1xkf h ALA 70 N 1.55 1.31 -0.70 3.99 0.00 -0.52 -2.69 119.26 122.20 1xkf h ALA 70 Ca -0.45 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1xkf h ALA 70 Cb 1.25 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1xkf h ALA 70 CO 0.61 0.56 0.15 0.78 0.00 0.00 0.00 179.25 181.36 1xkf h GLY 71 N 1.07 1.21 1.66 0.00 0.00 -1.04 0.15 103.07 106.12 1xkf h GLY 71 Ca 0.26 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1xkf h GLY 71 CO -0.04 0.71 0.18 0.83 0.00 0.00 0.00 176.54 178.23 1xkf h GLU 72 N 1.06 0.45 0.12 4.80 5.08 -1.69 -2.14 114.58 122.26 1xkf h GLU 72 Ca 0.22 -0.04 -0.35 0.00 -1.00 0.00 0.00 59.36 58.19 1xkf h GLU 72 Cb 0.39 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1xkf h GLU 72 CO 0.01 0.33 -1.88 -0.07 -1.00 0.00 0.00 179.01 176.39 1xkf h LEU 73 N 0.46 0.41 -1.85 1.33 4.07 -1.44 -3.37 115.31 114.92 1xkf h LEU 73 Ca 0.12 -0.82 -0.03 0.00 0.08 0.00 0.00 57.88 57.23 1xkf h LEU 73 Cb 0.01 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.61 1xkf h LEU 73 CO -0.02 1.72 -0.14 0.00 -1.08 0.00 0.00 178.44 178.93 1xkf h ALA 74 N 0.21 1.45 0.00 1.53 0.00 -0.85 -2.43 119.26 119.18 1xkf h ALA 74 Ca -0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xkf h ALA 74 Cb 2.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 1xkf h ALA 74 CO 0.11 0.17 -0.01 0.07 0.00 0.00 0.00 179.25 179.60 1xkf h ARG 75 N 0.00 0.00 -0.00 0.00 0.11 -1.49 0.44 114.38 113.44 1xkf h ARG 75 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xkf h ARG 75 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1xkf h ARG 75 CO 0.02 0.01 -0.11 -0.40 0.10 0.00 0.00 179.97 179.59 1xkf n ASP 76 N -3.31 0.33 -3.24 0.08 5.68 -0.91 -4.22 116.55 110.96 1xkf n ASP 76 Ca -0.03 -0.36 -0.24 0.00 -0.50 0.00 0.00 54.79 53.66 1xkf n ASP 76 Cb 0.09 -0.13 -0.06 0.00 -1.14 0.00 0.00 41.12 39.87 1xkf n ASP 76 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1xkf n SER 77 N -1.11 1.64 -4.48 -1.12 7.64 0.15 -5.07 113.62 111.26 1xkf n SER 77 Ca 0.13 -3.03 -0.36 0.00 1.01 0.00 0.00 58.87 56.62 1xkf n SER 77 Cb 0.28 -0.64 -0.12 0.00 -1.01 0.00 0.00 64.21 62.72 1xkf n SER 77 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1xkf s ILE 78 N -1.99 4.43 -0.07 0.44 1.10 -1.25 -1.57 121.20 122.28 1xkf s ILE 78 Ca 0.38 -0.14 -0.29 0.00 -0.51 0.00 0.00 60.65 60.09 1xkf s ILE 78 Cb 0.20 -3.06 0.11 0.00 0.15 0.00 0.00 42.46 39.85 1xkf s ILE 78 CO -0.08 0.35 0.90 -0.72 -2.11 0.00 0.00 174.94 173.27 1xkf s TYR 79 N 1.47 -0.41 -0.02 3.50 -0.85 -1.26 -5.07 117.35 114.72 1xkf s TYR 79 Ca 0.06 0.54 -0.28 0.00 -0.52 0.00 0.00 57.07 56.86 1xkf s TYR 79 Cb -0.15 0.48 0.09 0.00 0.38 0.00 0.00 41.96 42.77 1xkf s TYR 79 CO 0.04 -0.47 1.28 1.52 -1.52 0.00 0.00 175.55 176.40 1xkf s TYR 80 N -1.97 0.03 0.07 -3.49 -0.85 -1.26 -4.44 117.35 105.44 1xkf s TYR 80 Ca -0.00 -0.15 0.02 0.00 -0.52 0.00 0.00 57.07 56.42 1xkf s TYR 80 Cb -0.01 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 1xkf s TYR 80 CO -0.02 -0.27 -0.08 0.14 -1.52 0.00 0.00 175.55 173.80 1xkf s VAL 81 N -2.02 0.65 0.61 -3.49 -7.23 -0.86 -4.99 120.40 103.06 1xkf s VAL 81 Ca 0.30 -1.47 -0.14 0.00 -1.81 0.00 0.00 61.98 58.86 1xkf s VAL 81 Cb -0.01 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 1xkf s VAL 81 CO -0.01 -0.59 1.04 -0.62 -0.31 0.00 0.00 175.10 174.61 1xkf s ASP 82 N -2.24 5.92 0.66 4.85 2.15 -1.26 -1.16 116.67 125.59 1xkf s ASP 82 Ca 0.00 1.65 0.43 0.00 0.43 0.00 0.00 52.55 55.06 1xkf s ASP 82 Cb -0.03 -2.51 2.35 0.00 -0.30 0.00 0.00 42.92 42.43 1xkf s ASP 82 CO -0.02 -1.07 2.32 0.00 -0.17 0.00 0.00 175.17 176.24 1xkf h ALA 83 N 0.10 1.02 -0.35 3.66 0.00 -1.29 -0.81 119.26 121.59 1xkf h ALA 83 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xkf h ALA 83 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xkf h ALA 83 CO 0.59 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.91 1xkf n ASN 84 N -3.03 2.97 -4.76 0.00 3.02 -1.26 -1.35 115.26 110.85 1xkf n ASN 84 Ca -0.03 -1.93 -0.38 0.00 -0.03 0.00 0.00 54.58 52.22 1xkf n ASN 84 Cb 0.09 -0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.05 1xkf n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xkf s ALA 85 N -1.55 2.88 0.69 5.41 0.00 -0.31 -4.69 121.76 124.19 1xkf s ALA 85 Ca 0.37 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.45 1xkf s ALA 85 Cb 0.21 -3.50 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1xkf s ALA 85 CO 0.30 -1.10 1.00 -1.54 0.00 0.00 0.00 175.76 174.41 1xkf s SER 86 N -1.11 4.85 0.23 0.00 1.04 -1.26 -0.88 113.70 116.56 1xkf s SER 86 Ca 0.68 0.42 -0.08 0.00 0.48 0.00 0.00 55.95 57.45 1xkf s SER 86 Cb -0.36 -1.09 0.21 0.00 0.10 0.00 0.00 66.02 64.88 1xkf s SER 86 CO 0.43 -1.57 1.90 0.40 0.98 0.00 0.00 173.24 175.38 1xkf h ILE 87 N -0.55 1.22 -0.74 -1.02 2.04 -1.94 -1.24 117.51 115.27 1xkf h ILE 87 Ca -0.44 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1xkf h ILE 87 Cb 1.31 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1xkf h ILE 87 CO 0.60 0.21 0.34 1.56 0.00 0.00 0.00 178.15 180.86 1xkf h GLN 88 N 1.18 1.08 -0.76 2.37 7.50 -1.95 -0.76 115.11 123.77 1xkf h GLN 88 Ca 0.32 -0.17 -0.06 0.00 0.50 0.00 0.00 58.65 59.25 1xkf h GLN 88 Cb -0.13 -0.19 -0.03 0.00 0.05 0.00 0.00 27.48 27.18 1xkf h GLN 88 CO -0.07 0.86 0.26 0.93 -1.50 0.00 0.00 178.83 179.30 1xkf h GLU 89 N 1.05 1.16 -0.49 1.46 5.08 -1.80 0.50 114.58 121.55 1xkf h GLU 89 Ca 0.25 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1xkf h GLU 89 Cb 0.14 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1xkf h GLU 89 CO -0.03 0.97 -0.05 0.52 -1.00 0.00 0.00 179.01 179.42 1xkf h MET 90 N 1.12 0.85 -0.20 2.33 2.86 -0.82 -1.77 114.93 119.30 1xkf h MET 90 Ca 0.25 -0.26 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1xkf h MET 90 Cb 0.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1xkf h MET 90 CO -0.01 0.88 -0.45 -0.07 1.06 0.00 0.00 176.91 178.32 1xkf h LEU 91 N 0.78 0.53 -0.55 1.22 3.38 -0.72 -1.77 115.31 118.18 1xkf h LEU 91 Ca 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1xkf h LEU 91 Cb 0.54 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1xkf h LEU 91 CO 0.03 0.91 0.18 0.78 0.09 0.00 0.00 178.44 180.44 1xkf h ASN 92 N 0.40 0.79 -0.46 -0.43 2.35 -0.51 -0.52 115.58 117.19 1xkf h ASN 92 Ca 0.03 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.50 1xkf h ASN 92 Cb 0.95 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 1xkf h ASN 92 CO 0.08 0.77 -0.04 0.58 -1.65 0.00 0.00 177.43 177.18 1xkf h VAL 93 N 0.76 1.27 -0.48 2.81 2.07 -1.20 -0.70 116.25 120.78 1xkf h VAL 93 Ca 0.18 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1xkf h VAL 93 Cb 0.26 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1xkf h VAL 93 CO -0.01 0.39 0.22 0.24 0.02 0.00 0.00 177.57 178.43 1xkf h MET 94 N 0.68 0.69 -0.15 1.57 2.86 -1.17 -1.90 114.93 117.52 1xkf h MET 94 Ca 0.13 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1xkf h MET 94 Cb 0.55 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1xkf h MET 94 CO 0.03 0.59 0.08 1.49 1.06 0.00 0.00 176.91 180.16 1xkf h GLU 95 N 0.63 0.20 -0.91 1.72 4.81 -0.95 0.16 114.58 120.24 1xkf h GLU 95 Ca 0.16 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1xkf h GLU 95 Cb 0.13 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1xkf h GLU 95 CO -0.02 0.22 0.58 0.93 -0.73 0.00 0.00 179.01 179.99 1xkf h GLU 96 N 0.13 1.21 -0.22 1.92 5.08 -0.99 -2.76 114.58 118.95 1xkf h GLU 96 Ca 0.05 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xkf h GLU 96 Cb 0.08 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1xkf h GLU 96 CO -0.01 0.82 0.00 0.72 -1.00 0.00 0.00 179.01 179.54 1xkf n HIS 97 N -4.38 0.27 -3.64 4.33 8.25 -0.73 -4.98 115.22 114.34 1xkf n HIS 97 Ca 0.10 -0.14 -0.20 0.00 -0.26 0.00 0.00 57.72 57.22 1xkf n HIS 97 Cb 0.04 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.19 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 1.18 -5.27 -4.24 -0.41 0.00 0.46 -5.01 117.38 104.09 1xkf n GLN 98 Ca 0.17 0.67 -0.13 0.00 0.00 0.00 0.00 57.00 57.71 1xkf n GLN 98 Cb 0.54 -5.32 -0.10 0.00 0.00 0.00 0.00 30.24 25.36 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 -3.61 0.60 -0.32 -0.39 -7.23 -0.54 -5.04 120.40 103.88 1xkf s VAL 99 Ca 0.00 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1xkf s VAL 99 Cb -0.00 -2.16 0.14 0.00 0.56 0.00 0.00 36.38 34.92 1xkf s VAL 99 CO 0.79 -0.43 1.11 0.54 -0.31 0.00 0.00 175.10 176.81 1xkf n ARG 100 N -0.25 2.84 -3.83 4.82 1.74 -1.26 -4.49 116.66 116.24 1xkf n ARG 100 Ca -0.06 -1.81 -0.13 0.00 -0.77 0.00 0.00 57.85 55.09 1xkf n ARG 100 Cb 0.64 -1.15 -0.14 0.00 -1.02 0.00 0.00 32.46 30.78 1xkf n ARG 100 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xkf s ARG 101 N -1.20 0.05 -0.05 5.56 3.52 -1.26 -0.98 118.95 124.58 1xkf s ARG 101 Ca 0.11 0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.80 1xkf s ARG 101 Cb 0.07 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.45 1xkf s ARG 101 CO 0.06 -0.05 0.13 0.08 -0.81 0.00 0.00 175.30 174.71 1xkf s VAL 102 N 0.31 -0.02 0.48 7.11 1.01 0.35 -4.99 120.40 124.65 1xkf s VAL 102 Ca -0.02 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1xkf s VAL 102 Cb -0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 36.38 36.07 1xkf s VAL 102 CO -0.01 0.03 1.06 -2.16 0.00 0.00 0.00 175.10 174.01 1xkf s PRO 103 N 0.47 3.77 -0.14 2.72 0.04 -1.26 -1.01 135.00 139.59 1xkf s PRO 103 Ca -0.03 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 1xkf s PRO 103 Cb -0.05 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1xkf s PRO 103 CO -0.02 -0.47 -0.11 0.08 0.04 0.00 0.00 177.00 176.53 1xkf s VAL 104 N -1.90 3.24 0.19 -0.36 1.01 0.59 -2.03 120.40 121.13 1xkf s VAL 104 Ca 0.67 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 62.16 1xkf s VAL 104 Cb -0.18 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1xkf s VAL 104 CO 0.22 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 175.03 1xkf s ILE 105 N 0.39 2.72 -0.18 2.22 1.09 -0.31 -0.46 121.20 126.68 1xkf s ILE 105 Ca -0.09 -1.88 -0.06 0.00 -1.10 0.00 0.00 60.65 57.53 1xkf s ILE 105 Cb -0.15 -2.33 0.09 0.00 -1.06 0.00 0.00 42.46 39.00 1xkf s ILE 105 CO 0.05 -0.12 0.35 -0.55 -0.10 0.00 0.00 174.94 174.57 1xkf s SER 106 N -2.76 0.06 -1.33 3.58 0.15 -0.24 -0.74 113.70 112.43 1xkf s SER 106 Ca 0.23 0.73 -0.03 0.00 0.70 0.00 0.00 55.95 57.58 1xkf s SER 106 Cb -0.08 1.07 0.02 0.00 -1.71 0.00 0.00 66.02 65.32 1xkf s SER 106 CO 0.12 -0.24 0.88 -0.62 1.20 0.00 0.00 173.24 174.57 1xkf n GLU 107 N 5.37 -5.78 -0.82 5.44 1.02 -1.26 -1.93 120.64 122.68 1xkf n GLU 107 Ca -0.07 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1xkf n GLU 107 Cb 0.50 -5.48 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 1xkf n GLU 107 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xkf n HIS 108 N -4.40 0.00 -4.93 -0.32 8.25 -1.26 -4.99 115.22 107.57 1xkf n HIS 108 Ca -0.20 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.94 1xkf n HIS 108 Cb 0.64 -0.77 -0.14 0.00 1.12 0.00 0.00 29.99 30.85 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 -0.59 2.33 0.17 -0.41 0.52 -0.81 -4.09 118.95 116.06 1xkf s ARG 109 Ca 0.00 -0.80 -0.31 0.00 -0.52 0.00 0.00 55.73 54.10 1xkf s ARG 109 Cb 0.00 -2.27 -0.09 0.00 0.52 0.00 0.00 34.95 33.11 1xkf s ARG 109 CO 0.00 0.59 1.43 -1.17 0.02 0.00 0.00 175.30 176.18 1xkf s LEU 110 N -0.86 4.38 0.00 2.53 2.96 -0.40 -1.08 118.68 126.21 1xkf s LEU 110 Ca 0.12 2.48 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 1xkf s LEU 110 Cb -0.10 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1xkf s LEU 110 CO 0.01 -0.69 0.16 1.33 -1.32 0.00 0.00 176.35 175.84 1xkf n VAL 111 N 3.45 0.00 0.00 1.68 0.24 0.39 -4.91 118.33 119.19 1xkf n VAL 111 Ca 0.10 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1xkf n VAL 111 Cb 0.41 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 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 0.48 -1.02 2.96 7.63 0.00 -1.16 -2.37 105.19 111.71 1xkf n GLY 112 Ca 0.00 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.00 0.66 -0.06 -0.61 -1.09 -0.84 -0.30 121.20 116.96 1xkf s ILE 113 Ca 0.00 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1xkf s ILE 113 Cb 0.00 -0.61 -0.01 0.00 -1.58 0.00 0.00 42.46 40.25 1xkf s ILE 113 CO 0.00 0.22 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.02 1xkf s VAL 114 N 0.38 2.30 0.30 2.92 1.01 -0.18 -0.66 120.40 126.48 1xkf s VAL 114 Ca -0.06 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.05 1xkf s VAL 114 Cb -0.10 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1xkf s VAL 114 CO 0.00 0.57 -0.08 0.42 0.00 0.00 0.00 175.10 176.01 1xkf s THR 115 N -0.18 2.73 0.42 3.92 -4.23 -1.26 -0.50 115.64 116.54 1xkf s THR 115 Ca -0.02 -2.14 0.08 0.00 -1.18 0.00 0.00 61.69 58.43 1xkf s THR 115 Cb -0.14 -2.62 0.26 0.00 1.34 0.00 0.00 72.50 71.34 1xkf s THR 115 CO 0.03 -0.31 2.05 -0.33 -0.54 0.00 0.00 174.62 175.53 1xkf h GLU 116 N 2.01 0.47 -0.41 3.99 5.08 -1.46 -0.26 114.58 124.00 1xkf h GLU 116 Ca -0.42 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 1xkf h GLU 116 Cb 1.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1xkf h GLU 116 CO 0.63 0.33 0.01 0.00 -1.00 0.00 0.00 179.01 178.99 1xkf h ALA 117 N 1.75 1.25 -0.23 3.43 0.00 -1.96 0.36 119.26 123.86 1xkf h ALA 117 Ca 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1xkf h ALA 117 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xkf h ALA 117 CO -0.02 0.50 -0.02 -0.44 0.00 0.00 0.00 179.25 179.27 1xkf h ASP 118 N 0.63 0.42 -0.79 0.00 3.32 -1.44 -2.44 116.42 116.11 1xkf h ASP 118 Ca 0.13 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1xkf h ASP 118 Cb 0.38 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1xkf h ASP 118 CO 0.01 0.65 0.50 0.40 -1.72 0.00 0.00 179.24 179.08 1xkf h ILE 119 N 0.18 1.10 -0.85 0.35 2.04 -0.91 -1.84 117.51 117.57 1xkf h ILE 119 Ca 0.06 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.68 1xkf h ILE 119 Cb 0.45 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1xkf h ILE 119 CO 0.02 0.18 0.55 0.00 0.00 0.00 0.00 178.15 178.90 1xkf h ALA 120 N 1.34 1.64 0.00 1.87 0.00 -0.70 -0.56 119.26 122.86 1xkf h ALA 120 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1xkf h ALA 120 Cb 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xkf h ALA 120 CO -0.12 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1xkf h ARG 121 N 0.87 0.00 -0.53 0.00 3.08 -0.86 -3.23 114.38 113.70 1xkf h ARG 121 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1xkf h ARG 121 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1xkf h ARG 121 CO -0.15 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.47 1xkf n HIS 122 N -2.83 1.15 1.82 3.04 8.25 -0.24 -5.12 115.22 121.30 1xkf n HIS 122 Ca 0.03 -0.62 0.15 0.00 -0.26 0.00 0.00 57.72 57.02 1xkf n HIS 122 Cb 0.39 -0.19 0.80 0.00 1.12 0.00 0.00 29.99 32.11 1xkf n HIS 122 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26