#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lis s TYR 5 N 0.00 2.73 -0.23 1.57 2.02 -1.26 -5.06 117.35 117.13 1lis s TYR 5 Ca 0.00 1.53 -0.08 0.00 -0.37 0.00 0.00 57.07 58.15 1lis s TYR 5 Cb 0.00 -3.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.14 1lis s TYR 5 CO 0.00 -1.68 0.08 0.08 -1.57 0.00 0.00 175.55 172.46 1lis s VAL 6 N -1.60 4.59 -0.19 0.71 1.01 -1.26 -5.11 120.40 118.55 1lis s VAL 6 Ca 0.68 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1lis s VAL 6 Cb -0.28 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1lis s VAL 6 CO 0.33 0.37 1.04 -1.61 0.00 0.00 0.00 175.10 175.23 1lis s GLU 7 N 1.19 4.30 0.35 2.72 2.02 -1.26 -5.01 118.70 123.01 1lis s GLU 7 Ca 0.05 1.38 -0.28 0.00 0.02 0.00 0.00 54.97 56.14 1lis s GLU 7 Cb -0.14 -3.62 -0.10 0.00 0.10 0.00 0.00 34.13 30.37 1lis s GLU 7 CO 0.04 -0.54 1.30 -1.25 0.02 0.00 0.00 175.26 174.82 1lis s PRO 8 N 2.87 4.29 0.41 0.39 0.04 -1.26 -5.01 135.00 136.73 1lis s PRO 8 Ca 0.46 2.19 -0.25 0.00 0.04 0.00 0.00 61.00 63.44 1lis s PRO 8 Cb -0.16 -3.01 -0.08 0.00 0.04 0.00 0.00 34.50 31.29 1lis s PRO 8 CO 0.10 -0.23 1.16 0.15 0.04 0.00 0.00 177.00 178.21 1lis s LYS 9 N -1.88 3.99 0.56 4.56 1.02 -1.26 -4.95 119.74 121.79 1lis s LYS 9 Ca 0.50 1.79 0.35 0.00 0.02 0.00 0.00 55.97 58.63 1lis s LYS 9 Cb -0.39 -2.60 1.54 0.00 -0.52 0.00 0.00 37.83 35.86 1lis s LYS 9 CO 0.52 -0.36 2.05 0.74 -0.92 0.00 0.00 175.35 177.38 1lis h PHE 10 N 2.48 0.00 -3.03 3.18 0.04 -2.04 -3.40 116.94 114.16 1lis h PHE 10 Ca -0.49 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.09 1lis h PHE 10 Cb 1.24 0.00 -0.29 0.00 2.20 0.00 0.00 35.95 39.10 1lis h PHE 10 CO 0.55 0.02 -0.47 -1.17 -0.60 0.00 0.00 178.31 176.64 1lis s LEU 11 N -6.27 0.51 -0.03 1.54 0.20 -1.26 -5.12 118.68 108.25 1lis s LEU 11 Ca -0.00 0.53 -0.38 0.00 0.69 0.00 0.00 54.13 54.96 1lis s LEU 11 Cb 0.10 0.77 -0.17 0.00 -0.43 0.00 0.00 46.19 46.46 1lis s LEU 11 CO 0.53 -0.15 1.41 0.59 -0.29 0.00 0.00 176.35 178.44 1lis n ASN 12 N 4.01 1.60 -0.28 3.68 4.13 -1.26 -4.73 115.26 122.41 1lis n ASN 12 Ca -0.23 1.12 0.09 0.00 1.68 0.00 0.00 54.58 57.23 1lis n ASN 12 Cb 0.54 -1.13 0.24 0.00 -1.54 0.00 0.00 39.78 37.89 1lis n ASN 12 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1lis h LYS 13 N 5.01 0.38 -0.59 3.52 3.64 -1.99 -0.33 116.57 126.21 1lis h LYS 13 Ca -0.48 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1lis h LYS 13 Cb 1.34 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 1lis h LYS 13 CO 0.81 0.25 0.40 0.00 -2.27 0.00 0.00 179.45 178.65 1lis h ALA 14 N 1.64 2.15 0.07 5.00 0.00 -1.99 0.47 119.26 126.59 1lis h ALA 14 Ca 0.48 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.14 1lis h ALA 14 Cb 0.84 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.60 1lis h ALA 14 CO -0.49 -0.29 -0.98 0.74 0.00 0.00 0.00 179.25 178.23 1lis h PHE 15 N 0.30 0.86 -0.15 0.00 0.04 -1.46 -2.05 116.94 114.48 1lis h PHE 15 Ca 0.28 -0.51 -0.00 0.00 2.80 0.00 0.00 57.97 60.53 1lis h PHE 15 Cb 0.69 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1lis h PHE 15 CO -0.00 1.36 0.09 1.49 -0.60 0.00 0.00 178.31 180.65 1lis h GLU 16 N 0.12 0.21 -0.41 1.51 4.81 -0.54 -2.09 114.58 118.18 1lis h GLU 16 Ca -0.14 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1lis h GLU 16 Cb 1.68 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.98 1lis h GLU 16 CO 0.19 0.19 0.21 0.28 -0.73 0.00 0.00 179.01 179.15 1lis h VAL 17 N 0.17 0.98 -0.74 0.32 2.07 -1.01 -1.53 116.25 116.50 1lis h VAL 17 Ca 0.05 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1lis h VAL 17 Cb 0.04 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 1lis h VAL 17 CO -0.01 0.08 0.41 0.00 0.02 0.00 0.00 177.57 178.07 1lis h ALA 18 N 1.22 1.02 0.08 1.67 0.00 -1.18 -1.24 119.26 120.84 1lis h ALA 18 Ca 0.18 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1lis h ALA 18 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1lis h ALA 18 CO -0.12 0.06 -0.04 1.25 0.00 0.00 0.00 179.25 180.40 1lis h LEU 19 N 0.72 -0.09 -0.61 0.00 5.85 -1.11 -2.86 115.31 117.22 1lis h LEU 19 Ca 0.35 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1lis h LEU 19 Cb 0.28 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1lis h LEU 19 CO -0.22 0.12 -0.05 0.11 -0.34 0.00 0.00 178.44 178.06 1lis h LYS 20 N -0.29 1.04 -0.23 1.25 1.57 -0.95 -1.25 116.57 117.71 1lis h LYS 20 Ca -0.01 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1lis h LYS 20 Cb 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1lis h LYS 20 CO 0.02 1.05 0.14 0.28 -0.57 0.00 0.00 179.45 180.36 1lis h VAL 21 N 0.94 1.09 -0.33 0.50 2.07 -1.31 -1.71 116.25 117.50 1lis h VAL 21 Ca 0.16 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1lis h VAL 21 Cb 0.61 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1lis h VAL 21 CO 0.04 0.09 -0.16 1.56 0.02 0.00 0.00 177.57 179.11 1lis h GLN 22 N 0.28 0.69 0.03 1.57 1.08 -1.33 -0.99 115.11 116.44 1lis h GLN 22 Ca 0.08 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1lis h GLN 22 Cb 0.02 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1lis h GLN 22 CO -0.02 0.90 -0.01 0.82 -0.95 0.00 0.00 178.83 179.57 1lis h ILE 23 N 0.46 1.09 -0.45 2.54 2.04 -1.20 -1.36 117.51 120.63 1lis h ILE 23 Ca 0.07 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1lis h ILE 23 Cb 0.70 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1lis h ILE 23 CO 0.05 0.10 -0.01 0.40 0.00 0.00 0.00 178.15 178.69 1lis h ILE 24 N -0.20 1.24 -0.59 -0.67 2.04 -1.36 -0.91 117.51 117.06 1lis h ILE 24 Ca -0.00 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 1lis h ILE 24 Cb 0.19 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1lis h ILE 24 CO 0.01 0.34 0.15 0.00 0.00 0.00 0.00 178.15 178.65 1lis h ALA 25 N 1.30 0.77 -0.08 1.87 0.00 -1.07 0.44 119.26 122.50 1lis h ALA 25 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1lis h ALA 25 Cb 0.44 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lis h ALA 25 CO 0.02 0.47 0.03 0.78 0.00 0.00 0.00 179.25 180.55 1lis h GLY 26 N 0.85 0.14 0.99 0.00 0.00 -1.01 -1.31 103.07 102.73 1lis h GLY 26 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1lis h GLY 26 CO 0.00 0.07 0.35 0.74 0.00 0.00 0.00 176.54 177.70 1lis h PHE 27 N -0.04 0.76 -0.72 5.60 0.04 -0.89 -2.69 116.94 119.02 1lis h PHE 27 Ca 0.03 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1lis h PHE 27 Cb 0.19 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 1lis h PHE 27 CO -0.01 0.53 0.24 -0.44 -0.60 0.00 0.00 178.31 178.02 1lis h ASP 28 N 0.78 1.02 -0.30 2.17 5.19 -0.92 -1.91 116.42 122.45 1lis h ASP 28 Ca 0.21 -0.18 0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1lis h ASP 28 Cb -0.01 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.20 1lis h ASP 28 CO -0.04 0.94 0.12 -0.09 -3.12 0.00 0.00 179.24 177.05 1lis h ARG 29 N 1.06 0.26 -0.71 3.56 2.43 -0.95 -0.16 114.38 119.87 1lis h ARG 29 Ca 0.23 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1lis h ARG 29 Cb 0.28 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1lis h ARG 29 CO -0.01 0.17 0.39 0.78 -1.51 0.00 0.00 179.97 179.79 1lis h GLY 30 N 0.27 1.05 0.93 2.80 0.00 -1.34 -2.51 103.07 104.27 1lis h GLY 30 Ca 0.13 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.01 1lis h GLY 30 CO -0.12 0.45 0.52 -2.00 0.00 0.00 0.00 176.54 175.40 1lis h LEU 31 N 0.97 0.88 -0.52 3.11 5.85 -0.77 -1.86 115.31 122.98 1lis h LEU 31 Ca 0.25 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1lis h LEU 31 Cb 0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1lis h LEU 31 CO -0.04 0.62 0.31 0.58 -0.34 0.00 0.00 178.44 179.57 1lis h VAL 32 N 1.03 1.16 -0.84 1.05 2.07 -0.81 0.13 116.25 120.05 1lis h VAL 32 Ca 0.31 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1lis h VAL 32 Cb -0.05 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1lis h VAL 32 CO -0.09 0.16 0.54 0.11 0.02 0.00 0.00 177.57 178.31 1lis h LYS 33 N 0.69 1.11 -0.39 1.57 1.57 -1.28 -0.95 116.57 118.89 1lis h LYS 33 Ca 0.19 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 1lis h LYS 33 Cb -0.01 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1lis h LYS 33 CO -0.03 0.75 -0.27 2.35 -0.57 0.00 0.00 179.45 181.68 1lis h TRP 34 N 1.14 1.02 0.00 -1.35 7.01 -0.84 -2.99 115.95 119.94 1lis h TRP 34 Ca 0.30 -0.28 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 1lis h TRP 34 Cb -0.10 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.73 1lis h TRP 34 CO -0.01 1.07 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.61 1lis h LEU 35 N 0.68 0.00 -1.75 0.65 3.38 -0.76 -1.01 115.31 116.50 1lis h LEU 35 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1lis h LEU 35 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1lis h LEU 35 CO 0.07 0.03 -0.11 0.08 0.09 0.00 0.00 178.44 178.61 1lis h ARG 36 N 0.00 0.00 0.00 1.13 0.11 -1.02 0.20 114.38 114.80 1lis h ARG 36 Ca -0.00 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 1lis h ARG 36 Cb 0.48 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.54 1lis h ARG 36 CO 0.00 0.11 -0.77 0.28 0.10 0.00 0.00 179.97 179.70 1lis h VAL 37 N 0.00 1.27 -0.01 0.08 2.07 -1.44 -3.43 116.25 114.80 1lis h VAL 37 Ca -0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1lis h VAL 37 Cb 0.43 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1lis h VAL 37 CO 0.01 0.44 -0.73 1.41 0.02 0.00 0.00 177.57 178.73 1lis n HIS 38 N -4.48 0.00 -0.31 1.57 8.25 -0.47 -4.65 115.22 115.13 1lis n HIS 38 Ca -0.23 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.30 1lis n HIS 38 Cb 0.61 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.94 1lis n HIS 38 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1lis h GLY 39 N 4.50 1.45 2.00 -1.41 0.00 -0.81 -1.14 103.07 107.66 1lis h GLY 39 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1lis h GLY 39 CO 0.00 0.04 0.00 3.21 0.00 0.00 0.00 176.54 179.79 1lis h ARG 40 N 0.75 0.00 -0.58 4.80 3.08 -1.82 -2.44 114.38 118.17 1lis h ARG 40 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 1lis h ARG 40 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1lis h ARG 40 CO -0.31 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.84 1lis n THR 41 N -2.32 0.80 -4.89 2.04 -2.24 -0.43 -4.93 114.28 102.31 1lis n THR 41 Ca -0.00 -0.90 -0.28 0.00 -2.27 0.00 0.00 64.05 60.60 1lis n THR 41 Cb 0.11 0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 68.89 1lis n THR 41 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1lis s LEU 42 N -1.19 2.11 0.81 3.22 1.02 -0.92 -5.14 118.68 118.59 1lis s LEU 42 Ca 0.44 -0.48 -0.12 0.00 0.02 0.00 0.00 54.13 53.99 1lis s LEU 42 Cb 0.24 -1.10 0.08 0.00 0.02 0.00 0.00 46.19 45.42 1lis s LEU 42 CO 0.32 0.23 1.14 -0.94 0.02 0.00 0.00 176.35 177.12 1lis s SER 43 N -0.89 4.47 0.20 2.29 1.04 -1.26 -4.85 113.70 114.71 1lis s SER 43 Ca 0.09 0.98 -0.10 0.00 0.48 0.00 0.00 55.95 57.40 1lis s SER 43 Cb -0.09 -1.60 0.24 0.00 0.10 0.00 0.00 66.02 64.67 1lis s SER 43 CO 0.01 -1.94 1.76 0.74 0.98 0.00 0.00 173.24 174.78 1lis h THR 44 N -1.08 0.82 0.00 2.02 2.02 -2.00 -1.21 112.91 113.49 1lis h THR 44 Ca -0.47 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 66.43 1lis h THR 44 Cb 1.30 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1lis h THR 44 CO 0.63 0.08 -0.60 -0.37 0.37 0.00 0.00 175.52 175.63 1lis h VAL 45 N 0.43 1.35 -0.57 3.16 -1.51 -1.99 -1.92 116.25 115.20 1lis h VAL 45 Ca 0.29 -2.12 -0.08 0.00 -1.23 0.00 0.00 66.70 63.55 1lis h VAL 45 Cb 0.31 2.17 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 1lis h VAL 45 CO -0.27 0.59 0.03 1.56 -1.23 0.00 0.00 177.57 178.25 1lis h GLN 46 N 0.00 0.99 -0.80 5.19 4.20 -1.77 -1.40 115.11 121.51 1lis h GLN 46 Ca -0.01 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1lis h GLN 46 Cb 1.12 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 1lis h GLN 46 CO 0.08 0.97 0.49 0.87 -0.67 0.00 0.00 178.83 180.57 1lis h LYS 47 N 0.88 1.09 -0.68 1.46 1.57 -1.01 -2.40 116.57 117.47 1lis h LYS 47 Ca 0.17 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1lis h LYS 47 Cb 0.51 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1lis h LYS 47 CO 0.02 0.76 0.14 0.87 -0.57 0.00 0.00 179.45 180.67 1lis h LYS 48 N 1.10 1.11 -0.39 3.15 1.57 -1.24 -2.19 116.57 119.69 1lis h LYS 48 Ca 0.29 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1lis h LYS 48 Cb -0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1lis h LYS 48 CO -0.06 1.00 0.25 0.00 -0.57 0.00 0.00 179.45 180.08 1lis h ALA 49 N 1.06 1.72 -0.15 3.86 0.00 -1.03 -0.96 119.26 123.76 1lis h ALA 49 Ca 0.21 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1lis h ALA 49 Cb 0.41 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1lis h ALA 49 CO 0.01 0.26 -0.64 -0.07 0.00 0.00 0.00 179.25 178.80 1lis h LEU 50 N 0.52 0.63 -0.84 0.00 4.07 -0.90 -0.76 115.31 118.03 1lis h LEU 50 Ca 0.14 -0.37 -0.03 0.00 0.08 0.00 0.00 57.88 57.70 1lis h LEU 50 Cb -0.05 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.46 1lis h LEU 50 CO -0.03 1.11 0.39 1.88 -1.08 0.00 0.00 178.44 180.71 1lis h TYR 51 N 0.40 1.22 -0.49 1.13 0.05 -0.85 -2.55 116.97 115.87 1lis h TYR 51 Ca -0.01 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 1lis h TYR 51 Cb 1.21 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 1lis h TYR 51 CO 0.05 0.88 0.29 0.35 -1.05 0.00 0.00 178.16 178.69 1lis h PHE 52 N 1.19 0.65 -0.92 4.88 3.57 -0.82 -2.79 116.94 122.70 1lis h PHE 52 Ca 0.29 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.01 1lis h PHE 52 Cb 0.13 -0.21 -0.13 0.00 2.79 0.00 0.00 35.95 38.54 1lis h PHE 52 CO 0.02 0.45 0.43 0.28 -2.23 0.00 0.00 178.31 177.26 1lis h VAL 53 N 0.65 0.47 -0.27 1.41 2.07 -0.75 0.12 116.25 119.95 1lis h VAL 53 Ca 0.17 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1lis h VAL 53 Cb -0.00 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 1lis h VAL 53 CO -0.03 0.08 0.11 0.78 0.02 0.00 0.00 177.57 178.53 1lis h ASN 54 N 0.42 0.15 -0.22 0.57 2.35 -1.21 0.14 115.58 117.78 1lis h ASN 54 Ca 0.58 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 56.30 1lis h ASN 54 Cb 1.11 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1lis h ASN 54 CO -0.53 0.12 -0.06 0.03 -1.65 0.00 0.00 177.43 175.35 1lis h ARG 55 N 0.25 0.43 -0.45 0.81 3.08 -1.18 -2.15 114.38 115.17 1lis h ARG 55 Ca 0.12 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1lis h ARG 55 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1lis h ARG 55 CO -0.10 0.67 0.11 -0.09 -1.07 0.00 0.00 179.97 179.49 1lis h ARG 56 N 0.16 0.67 -0.50 0.04 2.43 -0.61 -1.91 114.38 114.66 1lis h ARG 56 Ca 0.06 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1lis h ARG 56 Cb 0.52 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1lis h ARG 56 CO 0.02 0.61 0.27 -0.92 -1.51 0.00 0.00 179.97 178.45 1lis h TYR 57 N 0.66 0.69 -0.52 2.20 5.03 -0.56 -0.44 116.97 124.03 1lis h TYR 57 Ca 0.15 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1lis h TYR 57 Cb 0.24 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1lis h TYR 57 CO 0.01 0.52 0.31 1.98 -1.32 0.00 0.00 178.16 179.66 1lis h MET 58 N 0.67 0.72 -0.82 1.82 4.05 -0.96 -1.72 114.93 118.68 1lis h MET 58 Ca 0.18 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.49 1lis h MET 58 Cb 0.06 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 1lis h MET 58 CO -0.03 0.53 0.36 1.96 0.23 0.00 0.00 176.91 179.96 1lis h GLN 59 N 0.70 1.21 0.00 0.39 4.20 -1.06 -0.64 115.11 119.92 1lis h GLN 59 Ca 0.19 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1lis h GLN 59 Cb 0.01 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1lis h GLN 59 CO -0.03 0.96 -0.06 1.79 -0.67 0.00 0.00 178.83 180.82 1lis h THR 60 N 1.19 0.00 -0.28 -0.54 1.35 -0.99 -3.15 112.91 110.50 1lis h THR 60 Ca 0.28 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1lis h THR 60 Cb 0.18 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1lis h THR 60 CO -0.03 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.65 1lis n HIS 61 N -2.52 0.35 -0.09 4.73 8.25 -0.65 -4.70 115.22 120.58 1lis n HIS 61 Ca 0.05 -0.19 -0.06 0.00 -0.26 0.00 0.00 57.72 57.26 1lis n HIS 61 Cb 0.46 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1lis n HIS 61 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1lis h TRP 62 N 4.14 -0.14 -0.89 4.41 2.91 -1.07 -1.39 115.95 123.92 1lis h TRP 62 Ca 0.00 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.11 1lis h TRP 62 Cb 0.92 0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.63 1lis h TRP 62 CO 0.17 -0.12 0.58 0.00 -1.03 0.00 0.00 178.44 178.04 1lis h ALA 63 N 1.32 1.52 -0.16 2.65 0.00 -1.83 -0.60 119.26 122.16 1lis h ALA 63 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1lis h ALA 63 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1lis h ALA 63 CO -0.32 0.35 0.05 -0.91 0.00 0.00 0.00 179.25 178.42 1lis h ASN 64 N 1.01 0.24 -0.48 0.00 -0.26 -1.69 -2.17 115.58 112.22 1lis h ASN 64 Ca 0.38 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 1lis h ASN 64 Cb 0.19 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 1lis h ASN 64 CO -0.14 0.37 0.27 1.88 -1.06 0.00 0.00 177.43 178.75 1lis h TYR 65 N 0.09 0.68 -0.64 1.19 0.05 -0.51 -2.86 116.97 114.96 1lis h TYR 65 Ca 0.05 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 1lis h TYR 65 Cb 0.22 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1lis h TYR 65 CO -0.00 0.48 0.05 0.52 -1.05 0.00 0.00 178.16 178.16 1lis h MET 66 N 0.70 1.10 -0.42 4.88 2.86 -0.85 0.76 114.93 123.97 1lis h MET 66 Ca 0.18 -0.33 0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1lis h MET 66 Cb 0.03 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.50 1lis h MET 66 CO -0.03 1.04 -0.10 -0.07 1.06 0.00 0.00 176.91 178.81 1lis h LEU 67 N 1.02 -0.39 -0.19 1.22 3.38 -1.21 -0.15 115.31 118.98 1lis h LEU 67 Ca 0.19 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1lis h LEU 67 Cb 0.51 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1lis h LEU 67 CO 0.02 -0.14 0.01 -0.25 0.09 0.00 0.00 178.44 178.18 1lis h TRP 68 N 0.00 0.36 -0.01 1.13 7.01 -1.25 -2.65 115.95 120.56 1lis h TRP 68 Ca 0.20 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.17 1lis h TRP 68 Cb 0.31 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1lis h TRP 68 CO -0.37 0.52 -0.15 0.82 -2.79 0.00 0.00 178.44 176.46 1lis h ILE 69 N 0.10 0.62 -0.72 2.65 2.04 -0.78 -1.65 117.51 119.77 1lis h ILE 69 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1lis h ILE 69 Cb 0.37 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1lis h ILE 69 CO 0.01 0.00 0.43 0.78 0.00 0.00 0.00 178.15 179.37 1lis h ASN 70 N -0.25 0.86 -0.11 1.72 -0.26 -1.07 0.98 115.58 117.45 1lis h ASN 70 Ca 0.05 -0.05 0.03 0.00 -0.56 0.00 0.00 56.30 55.77 1lis h ASN 70 Cb 0.32 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 1lis h ASN 70 CO -0.15 0.67 -0.04 0.50 -1.06 0.00 0.00 177.43 177.34 1lis h LYS 71 N 0.99 -0.03 -0.38 0.81 3.11 -1.31 0.98 116.57 120.75 1lis h LYS 71 Ca 0.26 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.05 1lis h LYS 71 Cb -0.04 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1lis h LYS 71 CO -0.05 -0.02 -0.00 0.87 -2.81 0.00 0.00 179.45 177.44 1lis h LYS 72 N -0.03 0.60 0.05 1.90 1.79 -0.63 -2.92 116.57 117.32 1lis h LYS 72 Ca 0.06 -0.14 -0.09 0.00 -2.18 0.00 0.00 60.65 58.30 1lis h LYS 72 Cb 0.12 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1lis h LYS 72 CO -0.13 0.62 -0.38 0.82 -1.08 0.00 0.00 179.45 179.29 1lis h ILE 73 N 0.57 1.61 -0.20 1.86 1.08 -0.59 -3.19 117.51 118.64 1lis h ILE 73 Ca 0.12 -2.28 0.06 0.00 -0.39 0.00 0.00 64.86 62.37 1lis h ILE 73 Cb 0.37 3.10 -0.01 0.00 -3.07 0.00 0.00 36.82 37.21 1lis h ILE 73 CO 0.01 0.62 0.31 0.44 -0.69 0.00 0.00 178.15 178.85 1lis h ASP 74 N -0.59 0.00 0.18 1.72 3.32 -0.88 -1.24 116.42 118.93 1lis h ASP 74 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1lis h ASP 74 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1lis h ASP 74 CO 0.07 0.00 -0.20 0.00 -1.72 0.00 0.00 179.24 177.39 1lis n ALA 75 N -2.20 2.97 0.23 3.45 0.00 -1.10 -4.42 120.51 119.44 1lis n ALA 75 Ca 0.02 -0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.13 1lis n ALA 75 Cb 0.43 -1.14 0.56 0.00 0.00 0.00 0.00 19.45 19.31 1lis n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1lis h LEU 76 N 1.48 0.00 0.39 0.00 3.38 -1.22 -3.47 115.31 115.87 1lis h LEU 76 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1lis h LEU 76 Cb 0.51 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1lis h LEU 76 CO 0.00 0.20 -0.13 0.61 0.09 0.00 0.00 178.44 179.21 1lis n GLY 77 N -0.74 0.81 3.82 0.83 0.00 -1.26 -4.99 105.19 103.66 1lis n GLY 77 Ca -0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 1lis n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1lis s ARG 78 N -2.75 1.91 0.20 1.61 1.70 -1.26 -5.14 118.95 115.22 1lis s ARG 78 Ca 0.00 -1.16 -0.28 0.00 -0.47 0.00 0.00 55.73 53.81 1lis s ARG 78 Cb 0.00 0.60 -0.08 0.00 -0.57 0.00 0.00 34.95 34.90 1lis s ARG 78 CO 0.00 -0.88 0.88 -0.08 -1.08 0.00 0.00 175.30 174.14 1lis s THR 79 N -3.41 4.23 0.33 4.99 -1.32 -1.26 -4.98 115.64 114.22 1lis s THR 79 Ca 0.14 1.94 -0.29 0.00 -1.21 0.00 0.00 61.69 62.26 1lis s THR 79 Cb -0.05 -4.25 -0.10 0.00 -1.51 0.00 0.00 72.50 66.58 1lis s THR 79 CO 0.09 0.49 1.36 -2.84 -2.21 0.00 0.00 174.62 171.51 1lis s PRO 80 N -1.03 4.29 0.33 7.08 0.02 -1.26 -5.06 135.00 139.36 1lis s PRO 80 Ca 0.39 2.30 0.09 0.00 0.02 0.00 0.00 61.00 63.81 1lis s PRO 80 Cb -0.25 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.16 1lis s PRO 80 CO 0.29 -0.29 -0.03 0.14 -0.33 0.00 0.00 177.00 176.79 1lis s VAL 81 N -0.96 2.65 0.48 3.83 -7.23 -1.26 -5.04 120.40 112.87 1lis s VAL 81 Ca 0.51 -2.04 0.16 0.00 -1.81 0.00 0.00 61.98 58.80 1lis s VAL 81 Cb -0.41 -2.73 0.31 0.00 0.56 0.00 0.00 36.38 34.11 1lis s VAL 81 CO 0.53 -0.24 2.06 1.62 -0.31 0.00 0.00 175.10 178.77 1lis h VAL 82 N 1.89 0.94 -0.08 1.32 3.04 -1.97 -0.58 116.25 120.81 1lis h VAL 82 Ca -0.43 -0.07 0.02 0.00 -1.01 0.00 0.00 66.70 65.22 1lis h VAL 82 Cb 1.25 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1lis h VAL 82 CO 0.66 0.04 0.10 1.23 -1.01 0.00 0.00 177.57 178.59 1lis h GLY 83 N 0.20 0.00 1.41 3.17 0.00 -1.97 -0.18 103.07 105.69 1lis h GLY 83 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.29 1lis h GLY 83 CO -0.02 0.00 -0.68 -0.55 0.00 0.00 0.00 176.54 175.29 1lis h ASP 84 N 0.00 0.69 -0.04 0.19 3.32 -1.50 -1.61 116.42 117.46 1lis h ASP 84 Ca 0.04 -0.42 -0.22 0.00 0.02 0.00 0.00 57.03 56.44 1lis h ASP 84 Cb 0.25 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 39.61 1lis h ASP 84 CO -0.00 1.17 -0.84 1.88 -1.72 0.00 0.00 179.24 179.73 1lis h TYR 85 N 0.42 0.93 -0.42 4.55 0.05 -1.33 -0.81 116.97 120.36 1lis h TYR 85 Ca -0.02 -0.48 0.08 0.00 0.05 0.00 0.00 58.73 58.36 1lis h TYR 85 Cb 1.26 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 38.82 1lis h TYR 85 CO 0.06 1.30 -0.01 1.15 -1.05 0.00 0.00 178.16 179.61 1lis h THR 86 N 0.29 0.67 -0.58 -2.88 2.02 -1.09 0.14 112.91 111.48 1lis h THR 86 Ca -0.09 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1lis h THR 86 Cb 1.50 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1lis h THR 86 CO 0.17 0.02 -0.00 -0.09 0.37 0.00 0.00 175.52 175.98 1lis h ARG 87 N 0.10 1.02 -0.48 6.66 2.43 -1.17 -1.10 114.38 121.83 1lis h ARG 87 Ca 0.21 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 1lis h ARG 87 Cb 0.30 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1lis h ARG 87 CO -0.36 1.00 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.87 1lis h LEU 88 N 0.93 0.99 -0.40 3.80 4.07 -0.79 -2.57 115.31 121.34 1lis h LEU 88 Ca 0.17 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 1lis h LEU 88 Cb 0.54 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 1lis h LEU 88 CO 0.03 1.14 0.21 1.23 -1.08 0.00 0.00 178.44 179.98 1lis h GLY 89 N 0.82 0.61 1.82 0.83 0.00 -0.61 -2.08 103.07 104.46 1lis h GLY 89 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1lis h GLY 89 CO 0.06 0.27 0.08 0.00 0.00 0.00 0.00 176.54 176.95 1lis h ALA 90 N 1.07 1.82 -0.22 3.60 0.00 -1.13 -1.05 119.26 123.34 1lis h ALA 90 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1lis h ALA 90 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1lis h ALA 90 CO -0.02 0.16 -0.09 1.49 0.00 0.00 0.00 179.25 180.78 1lis h GLU 91 N 0.24 0.44 -0.31 0.00 4.81 -1.09 -1.36 114.58 117.31 1lis h GLU 91 Ca 0.06 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1lis h GLU 91 Cb 0.03 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1lis h GLU 91 CO -0.01 0.72 0.05 0.82 -0.73 0.00 0.00 179.01 179.85 1lis h ILE 92 N 0.15 1.24 -0.67 2.32 2.04 -1.03 -0.76 117.51 120.80 1lis h ILE 92 Ca 0.05 -0.82 0.08 0.00 1.00 0.00 0.00 64.86 65.16 1lis h ILE 92 Cb 0.58 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1lis h ILE 92 CO 0.03 0.27 0.44 1.23 0.00 0.00 0.00 178.15 180.12 1lis h GLY 93 N 0.33 0.81 1.25 5.37 0.00 -1.17 -2.80 103.07 106.87 1lis h GLY 93 Ca 0.09 -0.25 -0.33 0.00 0.00 0.00 0.00 47.33 46.84 1lis h GLY 93 CO 0.01 0.17 -1.50 3.21 0.00 0.00 0.00 176.54 178.43 1lis h ARG 94 N 0.62 0.47 -0.04 4.80 3.08 -1.07 -3.22 114.38 119.02 1lis h ARG 94 Ca 0.29 -0.80 -0.18 0.00 0.07 0.00 0.00 59.98 59.36 1lis h ARG 94 Cb 0.35 0.30 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1lis h ARG 94 CO -0.09 1.38 -0.78 0.00 -1.07 0.00 0.00 179.97 179.41 1lis h ARG 95 N 0.13 0.28 -6.46 0.04 3.08 -0.88 -3.42 114.38 107.15 1lis h ARG 95 Ca -0.26 -0.26 -0.57 0.00 0.07 0.00 0.00 59.98 58.97 1lis h ARG 95 Cb 2.13 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 32.19 1lis h ARG 95 CO 0.25 0.93 1.00 0.42 -1.07 0.00 0.00 179.97 181.49 1lis s ILE 96 N -3.46 4.07 -1.30 2.04 -1.09 -1.11 -4.91 121.20 115.45 1lis s ILE 96 Ca -0.04 1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 59.39 1lis s ILE 96 Cb 0.10 -4.24 0.11 0.00 -1.58 0.00 0.00 42.46 36.86 1lis s ILE 96 CO 0.83 -0.65 1.76 -0.67 -1.23 0.00 0.00 174.94 174.98 1lis n ASP 97 N 8.07 4.86 0.24 3.58 2.03 -1.26 -4.80 116.55 129.27 1lis n ASP 97 Ca 0.15 -2.96 0.17 0.00 0.52 0.00 0.00 54.79 52.67 1lis n ASP 97 Cb 0.47 -1.63 0.86 0.00 -0.72 0.00 0.00 41.12 40.11 1lis n ASP 97 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1lis h MET 98 N 6.84 0.00 -0.27 -0.67 2.86 -1.94 -2.43 114.93 119.32 1lis h MET 98 Ca 0.42 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.14 1lis h MET 98 Cb 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1lis h MET 98 CO 1.50 0.00 0.28 0.00 1.06 0.00 0.00 176.91 179.75 1lis h ALA 99 N 1.83 1.97 -0.32 6.32 0.00 -1.88 0.13 119.26 127.30 1lis h ALA 99 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1lis h ALA 99 Cb 0.35 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1lis h ALA 99 CO -0.00 -0.42 -0.24 -0.92 0.00 0.00 0.00 179.25 177.67 1lis h TYR 100 N 0.00 0.71 0.06 0.00 3.20 -1.85 -1.27 116.97 117.82 1lis h TYR 100 Ca 0.13 -0.16 -0.27 0.00 3.14 0.00 0.00 58.73 61.57 1lis h TYR 100 Cb 0.68 -0.17 0.02 0.00 1.54 0.00 0.00 36.73 38.80 1lis h TYR 100 CO 0.00 0.82 -1.12 0.35 -1.64 0.00 0.00 178.16 176.57 1lis h PHE 101 N 0.56 0.86 -0.79 -3.82 3.57 -0.98 -2.91 116.94 113.43 1lis h PHE 101 Ca 0.08 -0.51 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 1lis h PHE 101 Cb 0.70 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1lis h PHE 101 CO 0.03 1.35 0.34 1.88 -2.23 0.00 0.00 178.31 179.69 1lis h TYR 102 N 0.27 1.17 -0.77 0.41 0.05 -0.94 -1.78 116.97 115.38 1lis h TYR 102 Ca -0.14 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.56 1lis h TYR 102 Cb 1.78 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 39.13 1lis h TYR 102 CO 0.09 0.87 0.47 -0.44 -1.05 0.00 0.00 178.16 178.10 1lis h ASP 103 N 1.14 0.93 0.60 3.88 3.32 -1.27 -0.92 116.42 124.09 1lis h ASP 103 Ca 0.27 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1lis h ASP 103 Cb 0.17 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.49 1lis h ASP 103 CO -0.03 0.72 -0.29 0.15 -1.72 0.00 0.00 179.24 178.08 1lis h PHE 104 N 1.06 -0.74 -0.72 4.55 3.57 -1.28 0.73 116.94 124.11 1lis h PHE 104 Ca 0.28 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.78 1lis h PHE 104 Cb -0.04 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1lis h PHE 104 CO -0.01 -0.46 0.46 -0.07 -2.23 0.00 0.00 178.31 176.00 1lis h LEU 105 N -0.80 0.76 0.43 0.59 3.38 -1.12 0.28 115.31 118.82 1lis h LEU 105 Ca -0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1lis h LEU 105 Cb 0.61 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1lis h LEU 105 CO 0.13 0.53 -0.21 0.50 0.09 0.00 0.00 178.44 179.49 1lis h LYS 106 N 0.90 -0.55 -0.64 1.13 3.64 -1.13 0.30 116.57 120.22 1lis h LYS 106 Ca 0.28 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1lis h LYS 106 Cb -0.02 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1lis h LYS 106 CO -0.10 -0.27 0.33 -0.44 -2.27 0.00 0.00 179.45 176.71 1lis h ASP 107 N -0.79 0.81 -0.14 4.20 3.32 -0.72 -1.54 116.42 121.56 1lis h ASP 107 Ca -0.06 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1lis h ASP 107 Cb 0.54 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1lis h ASP 107 CO 0.10 0.69 0.00 0.29 -1.72 0.00 0.00 179.24 178.60 1lis n LYS 108 N -4.52 1.36 -4.06 3.56 4.01 0.96 -4.91 118.16 114.55 1lis n LYS 108 Ca 0.05 -0.51 -0.33 0.00 -0.51 0.00 0.00 58.31 57.01 1lis n LYS 108 Cb 0.10 -1.15 -0.00 0.00 -0.51 0.00 0.00 35.03 33.47 1lis n LYS 108 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1lis n ASN 109 N -0.07 -3.83 -0.84 4.39 5.15 -0.58 -4.90 115.26 114.58 1lis n ASN 109 Ca 0.05 -0.90 0.08 0.00 -0.60 0.00 0.00 54.58 53.21 1lis n ASN 109 Cb 0.14 -3.32 0.25 0.00 -0.53 0.00 0.00 39.78 36.32 1lis n ASN 109 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1lis n MET 110 N -4.53 2.87 -1.69 1.20 2.81 0.98 -5.00 117.12 113.76 1lis n MET 110 Ca 0.03 -2.76 -0.44 0.00 -1.81 0.00 0.00 57.70 52.73 1lis n MET 110 Cb 0.52 -1.78 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 1lis n MET 110 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1lis n ILE 111 N -0.45 0.05 -1.66 2.02 5.41 -1.19 -4.91 119.36 118.63 1lis n ILE 111 Ca 0.20 -0.01 -0.44 0.00 1.00 0.00 0.00 62.75 63.50 1lis n ILE 111 Cb 0.84 -1.81 -0.02 0.00 -0.71 0.00 0.00 39.64 37.95 1lis n ILE 111 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1lis n PRO 112 N 3.96 1.86 -1.69 0.38 -0.02 -1.26 -4.94 135.00 133.29 1lis n PRO 112 Ca 0.17 0.65 -0.45 0.00 -2.02 0.00 0.00 63.50 61.85 1lis n PRO 112 Cb 0.32 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1lis n PRO 112 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1lis n LYS 113 N 1.07 2.36 -2.39 -0.52 5.02 -1.26 -4.84 118.16 117.59 1lis n LYS 113 Ca 0.08 0.85 -0.43 0.00 -2.02 0.00 0.00 58.31 56.80 1lis n LYS 113 Cb 0.33 -2.65 -0.02 0.00 -0.02 0.00 0.00 35.03 32.67 1lis n LYS 113 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1lis s TYR 114 N 1.02 2.94 0.25 2.13 5.04 -1.26 -5.02 117.35 122.45 1lis s TYR 114 Ca 0.78 1.03 0.10 0.00 -2.44 0.00 0.00 57.07 56.54 1lis s TYR 114 Cb -0.62 -3.51 -0.05 0.00 0.35 0.00 0.00 41.96 38.13 1lis s TYR 114 CO 0.36 -1.74 -0.10 -0.51 -1.34 0.00 0.00 175.55 172.22 1lis s LEU 115 N 2.87 2.91 0.27 6.97 1.43 -1.26 -5.05 118.68 126.82 1lis s LEU 115 Ca 0.57 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1lis s LEU 115 Cb -0.25 -1.47 0.61 0.00 0.03 0.00 0.00 46.19 45.12 1lis s LEU 115 CO 0.20 0.04 1.70 -0.65 0.23 0.00 0.00 176.35 177.86 1lis h PRO 116 N 2.28 0.36 -0.89 1.29 0.11 -2.00 -1.04 132.00 132.10 1lis h PRO 116 Ca -0.43 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1lis h PRO 116 Cb 1.24 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1lis h PRO 116 CO 0.58 0.24 0.58 -0.92 -0.21 0.00 0.00 178.00 178.27 1lis h TYR 117 N 0.37 1.08 -0.38 0.65 3.20 -1.99 -1.02 116.97 118.87 1lis h TYR 117 Ca 0.50 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.36 1lis h TYR 117 Cb 0.89 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1lis h TYR 117 CO -0.18 0.64 0.09 0.52 -1.64 0.00 0.00 178.16 177.59 1lis h MET 118 N 1.13 0.62 -0.72 1.82 2.86 -1.61 -1.23 114.93 117.79 1lis h MET 118 Ca 0.35 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1lis h MET 118 Cb -0.01 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1lis h MET 118 CO -0.10 0.65 0.38 1.49 1.06 0.00 0.00 176.91 180.39 1lis h GLU 119 N 0.48 1.01 -0.60 1.72 4.57 -1.18 -0.25 114.58 120.33 1lis h GLU 119 Ca 0.12 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1lis h GLU 119 Cb 0.31 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1lis h GLU 119 CO 0.00 0.76 0.23 1.49 -1.18 0.00 0.00 179.01 180.30 1lis h GLU 120 N 1.02 0.91 -0.28 1.92 4.81 -0.86 0.71 114.58 122.80 1lis h GLU 120 Ca 0.25 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1lis h GLU 120 Cb 0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1lis h GLU 120 CO -0.04 0.78 0.08 0.82 -0.73 0.00 0.00 179.01 179.92 1lis h ILE 121 N 0.84 1.21 -0.65 2.32 1.08 -0.97 -2.88 117.51 118.46 1lis h ILE 121 Ca 0.20 -0.69 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1lis h ILE 121 Cb 0.22 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 1lis h ILE 121 CO -0.01 0.23 0.39 0.78 -0.69 0.00 0.00 178.15 178.85 1lis h ASN 122 N 0.29 0.77 1.18 1.72 -0.26 -0.75 -2.68 115.58 115.85 1lis h ASN 122 Ca 0.09 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.77 1lis h ASN 122 Cb 0.27 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1lis h ASN 122 CO -0.00 0.59 -0.11 0.03 -1.06 0.00 0.00 177.43 176.88 1lis h ARG 123 N 0.89 0.00 -7.05 0.81 2.47 -0.70 -3.45 114.38 107.34 1lis h ARG 123 Ca 0.23 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.41 1lis h ARG 123 Cb -0.04 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 28.40 1lis h ARG 123 CO -0.04 0.11 0.56 -1.64 0.56 0.00 0.00 179.97 179.51 1lis s MET 124 N -3.55 3.15 0.41 0.04 -1.94 -1.01 -5.00 119.30 111.40 1lis s MET 124 Ca 0.02 2.08 -0.27 0.00 -1.71 0.00 0.00 55.69 55.82 1lis s MET 124 Cb 0.09 -2.19 -0.09 0.00 2.01 0.00 0.00 34.83 34.65 1lis s MET 124 CO 0.61 -1.14 1.41 1.03 -0.01 0.00 0.00 175.02 176.92 1lis s ARG 125 N -2.99 3.93 0.34 2.03 1.81 -1.26 -4.90 118.95 117.91 1lis s ARG 125 Ca 0.72 2.40 0.11 0.00 -1.72 0.00 0.00 55.73 57.24 1lis s ARG 125 Cb -0.37 -2.81 0.91 0.00 -0.45 0.00 0.00 34.95 32.24 1lis s ARG 125 CO 0.43 -0.61 1.75 -1.35 -0.68 0.00 0.00 175.30 174.84 1lis h PRO 126 N 2.69 0.56 -0.29 3.54 0.11 -1.94 0.18 132.00 136.85 1lis h PRO 126 Ca -0.50 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.66 1lis h PRO 126 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1lis h PRO 126 CO 0.63 0.37 0.29 0.00 -0.21 0.00 0.00 178.00 179.07 1lis h ALA 127 N 1.68 2.01 -0.02 -0.75 0.00 -1.89 -2.87 119.26 117.41 1lis h ALA 127 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1lis h ALA 127 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1lis h ALA 127 CO -0.40 -0.44 -0.12 -0.25 0.00 0.00 0.00 179.25 178.04 1lis n ASP 128 N -3.90 2.40 -4.69 0.00 8.00 0.63 -4.82 116.55 114.17 1lis n ASP 128 Ca 0.04 -1.70 -0.42 0.00 0.71 0.00 0.00 54.79 53.42 1lis n ASP 128 Cb 0.44 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 1lis n ASP 128 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1lis s VAL 129 N -1.82 2.77 0.08 2.53 1.01 -1.08 -4.88 120.40 119.01 1lis s VAL 129 Ca 0.21 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.15 1lis s VAL 129 Cb 0.16 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 1lis s VAL 129 CO 0.32 0.00 1.21 -2.16 0.00 0.00 0.00 175.10 174.48 1lis s PRO 130 N 2.62 4.43 0.10 2.72 0.04 -1.26 -5.04 135.00 138.61 1lis s PRO 130 Ca 0.77 1.81 0.09 0.00 0.04 0.00 0.00 61.00 63.71 1lis s PRO 130 Cb -0.43 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 1lis s PRO 130 CO 0.34 -0.24 -0.23 0.14 0.04 0.00 0.00 177.00 177.04 1lis s VAL 131 N 0.89 1.93 -0.07 -0.36 -7.23 -1.26 -4.90 120.40 109.40 1lis s VAL 131 Ca 0.58 -1.56 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 1lis s VAL 131 Cb -0.31 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 1lis s VAL 131 CO 0.30 0.06 -0.21 -0.54 -0.31 0.00 0.00 175.10 174.40 1lis s LYS 132 N -1.82 2.69 0.19 4.82 1.02 -1.26 -5.10 119.74 120.28 1lis s LYS 132 Ca 0.10 -0.82 -0.22 0.00 0.02 0.00 0.00 55.97 55.04 1lis s LYS 132 Cb -0.10 -2.29 -0.08 0.00 -0.52 0.00 0.00 37.83 34.84 1lis s LYS 132 CO 0.04 0.40 0.75 0.71 -0.92 0.00 0.00 175.35 176.33 1lis s TYR 133 N -0.20 3.78 0.00 3.18 1.51 -1.26 -4.58 117.35 119.78 1lis s TYR 133 Ca -0.02 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 1lis s TYR 133 Cb -0.13 -2.69 0.00 0.00 -0.11 0.00 0.00 41.96 39.03 1lis s TYR 133 CO 0.03 0.43 0.00 -1.33 -1.11 0.00 0.00 175.55 173.57