#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3r h GLU 16 N 0.00 1.03 -0.49 1.97 4.81 -2.03 0.32 114.58 120.20 2k3r h GLU 16 Ca 0.00 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 2k3r h GLU 16 Cb 0.00 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2k3r h GLU 16 CO 0.00 1.00 0.20 0.00 -0.73 0.00 0.00 179.01 179.48 2k3r h ARG 17 N 0.95 0.72 -0.32 1.92 3.08 -2.04 -2.21 114.38 116.49 2k3r h ARG 17 Ca 0.17 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 2k3r h ARG 17 Cb 0.52 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2k3r h ARG 17 CO 0.03 0.64 -0.41 0.97 -1.07 0.00 0.00 179.97 180.13 2k3r h ILE 18 N 0.64 1.28 -0.39 2.04 2.10 -1.93 -3.11 117.51 118.15 2k3r h ILE 18 Ca 0.16 -1.59 -0.05 0.00 1.08 0.00 0.00 64.86 64.47 2k3r h ILE 18 Cb 0.19 1.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.37 2k3r h ILE 18 CO -0.01 0.52 0.04 0.44 -1.08 0.00 0.00 178.15 178.06 2k3r h ASP 19 N 0.65 0.55 -0.60 2.19 3.32 -0.71 0.22 116.42 122.04 2k3r h ASP 19 Ca 0.05 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2k3r h ASP 19 Cb 0.97 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 2k3r h ASP 19 CO 0.09 0.59 0.22 0.40 -1.72 0.00 0.00 179.24 178.82 2k3r h ILE 20 N 0.57 1.23 -0.79 0.35 2.04 -1.43 -1.90 117.51 117.58 2k3r h ILE 20 Ca 0.13 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 2k3r h ILE 20 Cb 0.30 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2k3r h ILE 20 CO 0.01 0.29 0.29 0.25 0.00 0.00 0.00 178.15 178.99 2k3r h LEU 21 N 0.83 1.10 -0.63 1.44 5.85 -1.32 -1.31 115.31 121.27 2k3r h LEU 21 Ca 0.20 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2k3r h LEU 21 Cb 0.23 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2k3r h LEU 21 CO -0.01 0.99 0.37 0.15 -0.34 0.00 0.00 178.44 179.59 2k3r h PHE 22 N 1.15 0.68 -0.84 1.25 3.57 -0.41 -0.79 116.94 121.54 2k3r h PHE 22 Ca 0.26 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.80 2k3r h PHE 22 Cb 0.24 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2k3r h PHE 22 CO 0.02 0.36 0.55 1.03 -2.23 0.00 0.00 178.31 178.04 2k3r h SER 23 N 0.70 0.94 -0.71 0.41 0.87 -0.47 -0.31 113.55 114.99 2k3r h SER 23 Ca 0.27 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2k3r h SER 23 Cb 0.11 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 2k3r h SER 23 CO -0.14 0.67 0.36 -0.07 -0.53 0.00 0.00 176.83 177.12 2k3r h LEU 24 N 1.11 0.91 -0.94 2.23 3.38 -0.75 -2.53 115.31 118.72 2k3r h LEU 24 Ca 0.32 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2k3r h LEU 24 Cb -0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 2k3r h LEU 24 CO -0.08 0.77 0.22 0.00 0.09 0.00 0.00 178.44 179.43 2k3r h ALA 25 N 1.18 1.15 -0.46 1.53 0.00 -0.57 -3.02 119.26 119.07 2k3r h ALA 25 Ca 0.25 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2k3r h ALA 25 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2k3r h ALA 25 CO -0.03 0.60 0.00 1.49 0.00 0.00 0.00 179.25 181.31 2k3r h GLU 26 N 0.96 0.80 -0.44 0.00 4.81 -0.67 -0.31 114.58 119.74 2k3r h GLU 26 Ca 0.22 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 2k3r h GLU 26 Cb 0.26 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2k3r h GLU 26 CO -0.01 0.86 0.08 0.00 -0.73 0.00 0.00 179.01 179.20 2k3r h ARG 27 N 0.65 0.73 -0.40 1.92 3.08 -1.47 -3.24 114.38 115.65 2k3r h ARG 27 Ca 0.13 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 2k3r h ARG 27 Cb 0.49 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2k3r h ARG 27 CO 0.02 0.75 -0.06 -0.24 -1.07 0.00 0.00 179.97 179.37 2k3r h VAL 28 N 0.59 1.24 -0.03 2.04 3.04 -1.52 -3.27 116.25 118.34 2k3r h VAL 28 Ca 0.13 -1.03 0.03 0.00 -1.01 0.00 0.00 66.70 64.82 2k3r h VAL 28 Cb 0.37 1.01 -0.06 0.00 -2.01 0.00 0.00 31.29 30.60 2k3r h VAL 28 CO 0.01 0.35 -0.50 0.15 -1.01 0.00 0.00 177.57 176.57 2k3r h PHE 29 N 0.62 -1.46 -0.19 3.17 3.57 -1.07 0.19 116.94 121.77 2k3r h PHE 29 Ca 0.12 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2k3r h PHE 29 Cb 0.49 0.64 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2k3r h PHE 29 CO 0.02 -0.55 0.00 -1.00 -2.23 0.00 0.00 178.31 174.56 2k3r h PRO 30 N -0.63 0.27 -0.23 6.41 0.13 -1.71 -3.30 132.00 132.95 2k3r h PRO 30 Ca 0.03 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2k3r h PRO 30 Cb 0.70 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2k3r h PRO 30 CO -0.36 0.30 0.12 -0.92 -0.23 0.00 0.00 178.00 176.90 2k3r h TYR 31 N 0.27 0.32 -1.12 1.56 3.20 -0.80 -3.45 116.97 116.96 2k3r h TYR 31 Ca 0.06 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.05 2k3r h TYR 31 Cb 0.18 -0.10 -0.21 0.00 1.54 0.00 0.00 36.73 38.14 2k3r h TYR 31 CO 0.00 0.31 -0.10 0.45 -1.64 0.00 0.00 178.16 177.18 2k3r s SER 32 N -5.55 -1.06 0.29 -2.11 0.15 0.16 -5.05 113.70 100.52 2k3r s SER 32 Ca -0.13 0.93 0.03 0.00 0.70 0.00 0.00 55.95 57.47 2k3r s SER 32 Cb 0.08 2.00 0.60 0.00 -1.71 0.00 0.00 66.02 66.99 2k3r s SER 32 CO 0.71 -0.20 1.83 -0.65 1.20 0.00 0.00 173.24 176.13 2k3r h PRO 33 N 7.93 0.91 -0.47 5.44 0.11 -1.80 -2.18 132.00 141.95 2k3r h PRO 33 Ca -0.19 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.76 2k3r h PRO 33 Cb 1.14 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2k3r h PRO 33 CO 0.14 0.60 -0.10 1.49 -0.21 0.00 0.00 178.00 179.92 2k3r h GLU 34 N 0.94 0.90 -0.66 1.05 4.81 -1.93 0.55 114.58 120.23 2k3r h GLU 34 Ca 0.51 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2k3r h GLU 34 Cb 0.57 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2k3r h GLU 34 CO -0.28 0.98 0.26 -0.07 -0.73 0.00 0.00 179.01 179.17 2k3r h LEU 35 N 0.74 0.91 -1.15 1.64 3.38 -1.81 -2.70 115.31 116.31 2k3r h LEU 35 Ca 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2k3r h LEU 35 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2k3r h LEU 35 CO 0.04 0.84 0.11 0.00 0.09 0.00 0.00 178.44 179.52 2k3r h ALA 36 N 1.11 1.32 -0.37 1.53 0.00 -0.90 -0.42 119.26 121.52 2k3r h ALA 36 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k3r h ALA 36 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2k3r h ALA 36 CO -0.02 0.48 0.24 -0.22 0.00 0.00 0.00 179.25 179.73 2k3r h LYS 37 N 0.69 0.49 -0.53 0.00 3.11 -0.61 0.17 116.57 119.89 2k3r h LYS 37 Ca 0.16 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.87 2k3r h LYS 37 Cb 0.26 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 2k3r h LYS 37 CO -0.00 0.34 -0.01 0.00 -2.81 0.00 0.00 179.45 176.97 2k3r h ARG 38 N 0.49 0.95 -0.57 1.90 3.08 -0.82 -2.88 114.38 116.53 2k3r h ARG 38 Ca 0.13 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 2k3r h ARG 38 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2k3r h ARG 38 CO -0.03 0.97 0.22 1.88 -1.07 0.00 0.00 179.97 181.94 2k3r h TYR 39 N 0.82 0.87 -0.39 3.04 0.05 -0.49 -2.83 116.97 118.04 2k3r h TYR 39 Ca 0.15 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 2k3r h TYR 39 Cb 0.55 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 2k3r h TYR 39 CO 0.04 0.71 0.11 0.28 -1.05 0.00 0.00 178.16 178.24 2k3r h VAL 40 N 0.78 1.22 0.00 -2.88 2.07 -0.56 -2.70 116.25 114.17 2k3r h VAL 40 Ca 0.19 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2k3r h VAL 40 Cb 0.21 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2k3r h VAL 40 CO -0.01 0.26 -0.17 -0.33 0.02 0.00 0.00 177.57 177.34 2k3r h GLU 41 N 0.49 0.00 -0.64 1.57 5.08 -1.39 0.97 114.58 120.66 2k3r h GLU 41 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2k3r h GLU 41 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2k3r h GLU 41 CO -0.00 0.17 0.37 1.25 -1.00 0.00 0.00 179.01 179.80 2k3r h LEU 42 N 0.00 0.78 -0.66 1.33 5.85 -1.53 -2.14 115.31 118.95 2k3r h LEU 42 Ca -0.00 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 2k3r h LEU 42 Cb 0.39 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2k3r h LEU 42 CO 0.02 0.63 0.17 0.00 -0.34 0.00 0.00 178.44 178.92 2k3r h ALA 43 N 1.18 0.87 -0.66 1.25 0.00 0.12 0.48 119.26 122.50 2k3r h ALA 43 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2k3r h ALA 43 Cb 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2k3r h ALA 43 CO -0.04 0.58 0.24 -0.07 0.00 0.00 0.00 179.25 179.96 2k3r h LEU 44 N 0.98 0.93 -0.71 0.00 4.07 -0.74 0.51 115.31 120.35 2k3r h LEU 44 Ca 0.21 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 2k3r h LEU 44 Cb 0.36 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 2k3r h LEU 44 CO 0.00 0.87 0.32 -0.07 -1.08 0.00 0.00 178.44 178.48 2k3r h LEU 45 N 0.94 0.95 -0.45 1.67 3.38 -1.15 -1.75 115.31 118.90 2k3r h LEU 45 Ca 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2k3r h LEU 45 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2k3r h LEU 45 CO -0.01 0.83 0.22 0.58 0.09 0.00 0.00 178.44 180.15 2k3r h VAL 46 N 1.00 1.18 -0.40 1.22 2.07 -0.70 -2.54 116.25 118.09 2k3r h VAL 46 Ca 0.24 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2k3r h VAL 46 Cb 0.15 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2k3r h VAL 46 CO -0.03 0.20 0.17 -0.61 0.02 0.00 0.00 177.57 177.33 2k3r h GLN 47 N 0.59 0.60 -0.27 1.57 4.15 0.58 0.85 115.11 123.18 2k3r h GLN 47 Ca 0.16 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 2k3r h GLN 47 Cb 0.12 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2k3r h GLN 47 CO -0.02 0.55 0.03 -0.56 -1.93 0.00 0.00 178.83 176.90 2k3r h GLN 48 N 0.51 0.45 -0.44 1.69 3.07 -1.45 -1.85 115.11 117.09 2k3r h GLN 48 Ca 0.14 -0.13 -0.07 0.00 0.09 0.00 0.00 58.65 58.68 2k3r h GLN 48 Cb 0.17 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.66 2k3r h GLN 48 CO -0.01 0.59 -0.00 -0.22 0.09 0.00 0.00 178.83 179.27 2k3r h LYS 49 N 0.25 0.78 0.00 0.06 3.64 -1.04 -0.05 116.57 120.21 2k3r h LYS 49 Ca 0.08 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2k3r h LYS 49 Cb 0.36 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2k3r h LYS 49 CO 0.01 0.85 0.00 0.00 -2.27 0.00 0.00 179.45 178.03 2k3r n ALA 50 N -2.42 2.02 -3.44 5.00 0.00 0.29 -4.96 120.51 117.00 2k3r n ALA 50 Ca -0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 2k3r n ALA 50 Cb 0.30 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.40 2k3r n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k3r n LYS 51 N -1.96 -2.68 -5.04 0.00 4.81 -0.03 -4.99 118.16 108.27 2k3r n LYS 51 Ca 0.05 0.72 -0.32 0.00 -0.87 0.00 0.00 58.31 57.89 2k3r n LYS 51 Cb 0.31 -5.29 -0.16 0.00 0.02 0.00 0.00 35.03 29.91 2k3r n LYS 51 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2k3r s VAL 52 N -3.44 2.48 0.28 3.15 -7.23 -0.84 -5.05 120.40 109.75 2k3r s VAL 52 Ca 0.37 -0.87 -0.28 0.00 -1.81 0.00 0.00 61.98 59.39 2k3r s VAL 52 Cb -0.08 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 2k3r s VAL 52 CO 0.78 0.55 0.96 -0.54 -0.31 0.00 0.00 175.10 176.53 2k3r s LYS 53 N 0.32 4.70 -0.23 4.82 1.02 -1.26 -4.81 119.74 124.30 2k3r s LYS 53 Ca -0.15 1.44 -0.04 0.00 0.02 0.00 0.00 55.97 57.24 2k3r s LYS 53 Cb -0.17 -3.04 0.08 0.00 -0.52 0.00 0.00 37.83 34.18 2k3r s LYS 53 CO 0.07 0.37 0.10 0.42 -0.92 0.00 0.00 175.35 175.39 2k3r s ILE 54 N -1.38 0.09 0.24 2.17 1.01 -1.26 -5.03 121.20 117.04 2k3r s ILE 54 Ca 0.46 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 2k3r s ILE 54 Cb -0.23 -0.88 0.21 0.00 0.01 0.00 0.00 42.46 41.57 2k3r s ILE 54 CO 0.29 -0.46 1.80 -0.65 0.00 0.00 0.00 174.94 175.92 2k3r h PRO 55 N 8.36 0.73 0.00 2.79 0.11 -2.03 -3.42 132.00 138.55 2k3r h PRO 55 Ca -0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2k3r h PRO 55 Cb 1.08 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2k3r h PRO 55 CO 0.37 0.49 -0.08 0.54 -0.21 0.00 0.00 178.00 179.10 2k3r n ARG 56 N -4.76 2.98 -0.19 1.05 1.74 -1.26 -4.76 116.66 111.47 2k3r n ARG 56 Ca 0.13 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.13 2k3r n ARG 56 Cb 0.27 -0.54 0.02 0.00 -1.02 0.00 0.00 32.46 31.19 2k3r n ARG 56 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k3r h LYS 57 N 0.00 0.77 0.00 5.56 1.57 -1.97 -1.92 116.57 120.58 2k3r h LYS 57 Ca 0.00 -0.11 -0.26 0.00 -1.87 0.00 0.00 60.65 58.40 2k3r h LYS 57 Cb 0.04 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 2k3r h LYS 57 CO 0.00 0.64 -2.00 0.91 -0.57 0.00 0.00 179.45 178.43 2k3r n TRP 58 N -4.58 0.00 -0.19 -1.35 7.02 -1.26 -4.36 117.44 112.72 2k3r n TRP 58 Ca 0.02 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.42 2k3r n TRP 58 Cb 0.12 -0.70 0.02 0.00 -2.42 0.00 0.00 31.31 28.32 2k3r n TRP 58 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2k3r h LYS 59 N 0.00 0.87 -0.03 -0.99 1.57 -1.82 -2.45 116.57 113.72 2k3r h LYS 59 Ca -0.39 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2k3r h LYS 59 Cb 1.81 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.01 2k3r h LYS 59 CO -0.00 0.82 0.00 0.54 -0.57 0.00 0.00 179.45 180.23 2k3r n ARG 60 N -4.42 2.24 -0.27 3.15 5.12 -0.72 -4.45 116.66 117.31 2k3r n ARG 60 Ca 0.02 -1.80 0.07 0.00 -1.93 0.00 0.00 57.85 54.22 2k3r n ARG 60 Cb 0.22 -1.46 0.19 0.00 -1.16 0.00 0.00 32.46 30.25 2k3r n ARG 60 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2k3r n ARG 61 N 1.18 2.65 -3.99 5.56 1.74 -0.92 -4.94 116.66 117.93 2k3r n ARG 61 Ca 0.15 -2.46 -0.08 0.00 -0.77 0.00 0.00 57.85 54.69 2k3r n ARG 61 Cb 0.56 -1.55 -0.09 0.00 -1.02 0.00 0.00 32.46 30.37 2k3r n ARG 61 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 2k3r s TYR 62 N -2.17 0.41 0.37 -1.55 -0.85 -1.20 0.73 117.35 113.08 2k3r s TYR 62 Ca 0.31 -0.87 -0.26 0.00 -0.52 0.00 0.00 57.07 55.73 2k3r s TYR 62 Cb 0.24 -0.24 -0.09 0.00 0.38 0.00 0.00 41.96 42.25 2k3r s TYR 62 CO 0.09 -0.50 1.21 0.00 -1.52 0.00 0.00 175.55 174.83 2k3r h LYS 64 N 2.92 0.98 0.00 0.00 1.79 -1.94 0.12 116.57 120.43 2k3r h LYS 64 Ca -0.49 -0.20 -0.10 0.00 -2.18 0.00 0.00 60.65 57.68 2k3r h LYS 64 Cb 1.23 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 2k3r h LYS 64 CO 0.64 0.86 -0.58 -0.22 -1.08 0.00 0.00 179.45 179.06 2k3r h LYS 65 N 0.91 0.00 -0.04 3.15 3.64 -1.99 -3.41 116.57 118.83 2k3r h LYS 65 Ca 0.21 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 2k3r h LYS 65 Cb 0.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2k3r h LYS 65 CO -0.01 0.87 -0.69 0.00 -2.27 0.00 0.00 179.45 177.34 2k3r n HIS 67 N -3.79 0.00 -2.38 0.00 8.25 0.40 -4.72 115.22 112.98 2k3r n HIS 67 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.08 2k3r n HIS 67 Cb 0.68 -1.05 -0.02 0.00 1.12 0.00 0.00 29.99 30.72 2k3r n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k3r s ALA 68 N -1.85 2.82 0.11 -1.41 0.00 -1.26 -4.18 121.76 115.99 2k3r s ALA 68 Ca 0.00 0.76 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 2k3r s ALA 68 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 2k3r s ALA 68 CO 0.00 -0.55 1.40 0.12 0.00 0.00 0.00 175.76 176.73 2k3r s PHE 69 N -1.80 3.19 -0.68 0.00 5.36 -1.26 -0.95 117.98 121.83 2k3r s PHE 69 Ca 0.69 0.92 -0.13 0.00 -0.96 0.00 0.00 56.93 57.44 2k3r s PHE 69 Cb -0.22 -3.70 0.18 0.00 -0.34 0.00 0.00 43.02 38.94 2k3r s PHE 69 CO 0.26 -2.46 0.61 -1.17 -1.46 0.00 0.00 175.22 170.99 2k3r s LEU 70 N 1.24 6.31 -0.03 6.12 1.98 0.22 -4.71 118.68 129.83 2k3r s LEU 70 Ca 0.65 -2.37 0.01 0.00 -2.89 0.00 0.00 54.13 49.53 2k3r s LEU 70 Cb -0.37 -2.15 0.01 0.00 0.66 0.00 0.00 46.19 44.35 2k3r s LEU 70 CO 0.30 -0.64 -0.04 -0.69 -1.89 0.00 0.00 176.35 173.38 2k3r s VAL 71 N 0.68 0.44 0.49 1.68 1.01 -1.26 -4.79 120.40 118.64 2k3r s VAL 71 Ca 0.12 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 2k3r s VAL 71 Cb -0.19 -0.44 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 2k3r s VAL 71 CO -0.04 0.17 1.36 -2.84 0.00 0.00 0.00 175.10 173.75 2k3r s PRO 72 N 0.56 3.47 0.00 2.72 0.02 -1.26 -3.11 135.00 137.40 2k3r s PRO 72 Ca -0.07 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2k3r s PRO 72 Cb -0.10 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.96 2k3r s PRO 72 CO -0.00 -0.93 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 2k3r n GLY 73 N 0.64 2.89 0.20 0.52 0.00 0.48 -4.92 105.19 105.00 2k3r n GLY 73 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2k3r n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k3r n ILE 74 N -2.00 0.00 0.36 -0.61 2.08 -1.18 -4.77 119.36 113.23 2k3r n ILE 74 Ca 0.00 0.19 0.08 0.00 0.56 0.00 0.00 62.75 63.57 2k3r n ILE 74 Cb 0.00 -1.11 0.11 0.00 -0.75 0.00 0.00 39.64 37.89 2k3r n ILE 74 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2k3r n ASN 75 N -1.99 2.60 -3.51 4.38 2.04 -1.25 -4.70 115.26 112.83 2k3r n ASN 75 Ca 0.00 -1.76 -0.16 0.00 -0.44 0.00 0.00 54.58 52.22 2k3r n ASN 75 Cb 0.00 -0.10 -0.05 0.00 -2.53 0.00 0.00 39.78 37.10 2k3r n ASN 75 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k3r s ALA 76 N -1.19 -1.76 0.02 -2.53 0.00 -1.26 0.86 121.76 115.91 2k3r s ALA 76 Ca 0.22 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.44 2k3r s ALA 76 Cb 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 2k3r s ALA 76 CO 0.20 -0.43 -0.14 0.50 0.00 0.00 0.00 175.76 175.89 2k3r s ARG 77 N -1.62 0.99 -0.08 0.00 3.52 -0.01 0.18 118.95 121.95 2k3r s ARG 77 Ca -0.08 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 54.87 2k3r s ARG 77 Cb -0.00 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.40 2k3r s ARG 77 CO 0.05 0.25 -0.19 0.54 -0.81 0.00 0.00 175.30 175.14 2k3r s VAL 78 N -0.70 1.67 -0.13 7.11 0.11 -1.26 -1.87 120.40 125.34 2k3r s VAL 78 Ca 0.03 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.21 2k3r s VAL 78 Cb -0.07 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 2k3r s VAL 78 CO 0.01 0.47 0.10 -0.13 -3.33 0.00 0.00 175.10 172.22 2k3r s ARG 79 N 0.36 3.48 -0.22 1.54 0.52 -0.88 -4.94 118.95 118.80 2k3r s ARG 79 Ca -0.14 -0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 2k3r s ARG 79 Cb -0.16 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2k3r s ARG 79 CO 0.06 0.65 0.01 -0.51 0.02 0.00 0.00 175.30 175.53 2k3r s LEU 80 N -0.68 3.24 -0.08 2.53 1.02 -1.26 -1.37 118.68 122.08 2k3r s LEU 80 Ca 0.12 -0.23 -0.01 0.00 0.02 0.00 0.00 54.13 54.03 2k3r s LEU 80 Cb -0.12 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 2k3r s LEU 80 CO 0.02 0.03 -0.02 -0.13 0.02 0.00 0.00 176.35 176.27 2k3r s ARG 81 N 1.23 2.95 -0.33 1.70 0.52 0.51 -5.01 118.95 120.52 2k3r s ARG 81 Ca 0.04 -0.45 -0.08 0.00 -0.52 0.00 0.00 55.73 54.72 2k3r s ARG 81 Cb -0.15 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.60 2k3r s ARG 81 CO 0.01 0.67 0.12 -0.65 0.02 0.00 0.00 175.30 175.48 2k3r s GLN 82 N -0.81 2.91 0.25 3.54 -0.21 -1.26 -3.11 119.66 120.97 2k3r s GLN 82 Ca 0.12 -0.99 0.02 0.00 0.02 0.00 0.00 55.36 54.53 2k3r s GLN 82 Cb -0.11 -3.50 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 2k3r s GLN 82 CO 0.02 -0.57 0.08 0.15 -2.12 0.00 0.00 175.29 172.85 2k3r s LYS 83 N 1.49 1.40 -1.29 2.91 1.02 -1.26 -4.98 119.74 119.03 2k3r s LYS 83 Ca 0.01 -1.75 -0.08 0.00 0.02 0.00 0.00 55.97 54.18 2k3r s LYS 83 Cb -0.18 -0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 36.74 2k3r s LYS 83 CO 0.04 -0.26 2.90 0.54 -0.92 0.00 0.00 175.35 177.65 2k3r n ARG 84 N -0.46 3.65 -3.69 1.68 1.74 -1.26 -4.11 116.66 114.21 2k3r n ARG 84 Ca -0.01 -2.36 -0.12 0.00 -0.77 0.00 0.00 57.85 54.58 2k3r n ARG 84 Cb 0.66 -2.62 -0.12 0.00 -1.02 0.00 0.00 32.46 29.35 2k3r n ARG 84 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2k3r s MET 85 N 1.01 0.22 0.37 5.56 1.75 -1.26 -5.11 119.30 121.85 2k3r s MET 85 Ca 0.65 0.70 -0.28 0.00 -1.25 0.00 0.00 55.69 55.51 2k3r s MET 85 Cb 0.21 -0.03 -0.11 0.00 2.84 0.00 0.00 34.83 37.74 2k3r s MET 85 CO -0.07 -0.22 1.43 -2.14 -0.65 0.00 0.00 175.02 173.38 2k3r s PRO 86 N 1.85 4.13 -0.08 4.11 0.02 -1.08 -4.81 135.00 139.13 2k3r s PRO 86 Ca -0.05 2.46 -0.06 0.00 0.02 0.00 0.00 61.00 63.38 2k3r s PRO 86 Cb -0.11 -2.96 0.03 0.00 0.02 0.00 0.00 34.50 31.48 2k3r s PRO 86 CO -0.10 -0.47 0.21 -1.01 -0.33 0.00 0.00 177.00 175.30 2k3r s HIS 87 N -1.14 -0.25 0.03 6.54 3.76 -1.18 -0.59 115.29 122.46 2k3r s HIS 87 Ca 0.53 0.61 0.04 0.00 -0.15 0.00 0.00 55.06 56.09 2k3r s HIS 87 Cb -0.44 0.05 -0.02 0.00 1.11 0.00 0.00 32.58 33.28 2k3r s HIS 87 CO 0.60 -0.15 -0.13 0.96 -0.85 0.00 0.00 174.74 175.17 2k3r s ILE 88 N 0.57 1.03 -0.11 0.60 -4.36 -0.79 -0.36 121.20 117.78 2k3r s ILE 88 Ca -0.04 -0.93 0.02 0.00 -0.26 0.00 0.00 60.65 59.44 2k3r s ILE 88 Cb -0.05 -0.93 -0.01 0.00 1.25 0.00 0.00 42.46 42.71 2k3r s ILE 88 CO -0.03 0.00 -0.17 0.68 0.24 0.00 0.00 174.94 175.66 2k3r s VAL 89 N -0.81 2.69 -0.10 8.37 -7.23 -0.47 -0.77 120.40 122.08 2k3r s VAL 89 Ca 0.01 -0.81 0.04 0.00 -1.81 0.00 0.00 61.98 59.42 2k3r s VAL 89 Cb -0.07 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 2k3r s VAL 89 CO 0.01 0.55 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.42 2k3r s VAL 90 N 0.18 2.12 -0.06 1.32 1.01 0.27 -2.08 120.40 123.16 2k3r s VAL 90 Ca -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 2k3r s VAL 90 Cb -0.16 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.45 2k3r s VAL 90 CO 0.06 0.56 -0.00 -1.59 0.00 0.00 0.00 175.10 174.12 2k3r s LYS 91 N 0.27 0.54 -0.14 2.72 0.00 -0.78 0.12 119.74 122.47 2k3r s LYS 91 Ca -0.16 0.08 -0.01 0.00 0.00 0.00 0.00 55.97 55.88 2k3r s LYS 91 Cb -0.17 -0.82 -0.02 0.00 0.00 0.00 0.00 37.83 36.82 2k3r s LYS 91 CO 0.08 -0.23 -0.11 0.00 0.00 0.00 0.00 175.35 175.09 2k3r h LEU 93 N 6.73 1.08 -0.66 0.00 3.38 0.14 0.97 115.31 126.94 2k3r h LEU 93 Ca -0.27 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 2k3r h LEU 93 Cb 1.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2k3r h LEU 93 CO 0.57 0.95 0.03 -0.33 0.09 0.00 0.00 178.44 179.75 2k3r h GLU 94 N 1.13 1.07 0.00 1.13 4.39 -1.93 0.62 114.58 121.00 2k3r h GLU 94 Ca 0.26 -0.32 -0.22 0.00 0.34 0.00 0.00 59.36 59.43 2k3r h GLU 94 Cb 0.21 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k3r h GLU 94 CO -0.02 1.02 -0.92 0.00 -1.16 0.00 0.00 179.01 177.93 2k3r n GLY 96 N 0.93 0.55 3.40 0.00 0.00 0.27 -5.06 105.19 105.29 2k3r n GLY 96 Ca -0.06 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 2k3r n GLY 96 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k3r s HIS 97 N -2.06 2.35 -0.12 1.61 3.76 -1.23 -4.94 115.29 114.66 2k3r s HIS 97 Ca 0.00 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.54 2k3r s HIS 97 Cb 0.00 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.37 2k3r s HIS 97 CO 0.00 0.31 -0.10 -1.50 -0.85 0.00 0.00 174.74 172.60 2k3r s ILE 98 N -1.02 3.36 0.11 0.60 2.07 -1.26 -1.95 121.20 123.11 2k3r s ILE 98 Ca 0.14 -0.57 0.10 0.00 -1.41 0.00 0.00 60.65 58.92 2k3r s ILE 98 Cb -0.10 -2.41 -0.04 0.00 0.13 0.00 0.00 42.46 40.04 2k3r s ILE 98 CO 0.06 0.53 -0.26 -0.04 -1.91 0.00 0.00 174.94 173.32 2k3r s MET 99 N 0.07 1.45 -0.17 3.50 -1.94 0.32 -4.97 119.30 117.57 2k3r s MET 99 Ca -0.03 -1.28 -0.04 0.00 -1.71 0.00 0.00 55.69 52.63 2k3r s MET 99 Cb -0.14 -1.87 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 2k3r s MET 99 CO 0.04 0.45 -0.03 0.50 -0.01 0.00 0.00 175.02 175.97 2k3r s ARG 100 N -1.87 3.63 -0.38 2.03 3.52 -1.26 0.95 118.95 125.57 2k3r s ARG 100 Ca 0.13 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 2k3r s ARG 100 Cb -0.10 -2.94 0.11 0.00 -1.56 0.00 0.00 34.95 30.45 2k3r s ARG 100 CO 0.05 0.17 0.10 0.71 -0.81 0.00 0.00 175.30 175.52 2k3r s TYR 101 N 0.56 3.67 0.43 5.12 2.02 0.05 -5.00 117.35 124.20 2k3r s TYR 101 Ca -0.03 -2.94 -0.25 0.00 -0.37 0.00 0.00 57.07 53.48 2k3r s TYR 101 Cb -0.14 -2.96 -0.08 0.00 -0.40 0.00 0.00 41.96 38.37 2k3r s TYR 101 CO 0.03 -0.93 1.33 -1.25 -1.57 0.00 0.00 175.55 173.16 2k3r s PRO 102 N 0.77 3.83 0.02 -1.71 0.04 -1.26 -1.89 135.00 134.80 2k3r s PRO 102 Ca 0.11 2.20 0.06 0.00 0.04 0.00 0.00 61.00 63.42 2k3r s PRO 102 Cb -0.20 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 2k3r s PRO 102 CO -0.06 -0.62 -0.19 0.71 0.04 0.00 0.00 177.00 176.88 2k3r s TYR 103 N -1.27 1.68 0.20 0.56 2.02 0.24 -4.97 117.35 115.81 2k3r s TYR 103 Ca 0.59 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 57.02 2k3r s TYR 103 Cb -0.39 -1.04 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 2k3r s TYR 103 CO 0.50 0.03 -0.14 0.96 -1.57 0.00 0.00 175.55 175.33 2k3r s ILE 104 N -0.64 1.68 -2.55 2.71 -4.36 -1.26 -2.63 121.20 114.15 2k3r s ILE 104 Ca 0.07 -2.20 0.28 0.00 -0.26 0.00 0.00 60.65 58.54 2k3r s ILE 104 Cb -0.08 -2.05 0.51 0.00 1.25 0.00 0.00 42.46 42.10 2k3r s ILE 104 CO 0.01 -0.60 1.69 0.29 0.24 0.00 0.00 174.94 176.57