#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 1.02 -0.46 1.64 5.08 -2.05 0.26 114.58 120.08 2k3r h GLU 16 Ca 0.00 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2k3r h GLU 16 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2k3r h GLU 16 CO 0.00 0.97 0.19 0.00 -1.00 0.00 0.00 179.01 179.17 2k3r h ARG 17 N 0.95 0.68 -0.46 2.33 3.08 -2.02 0.93 114.38 119.88 2k3r h ARG 17 Ca 0.18 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2k3r h ARG 17 Cb 0.48 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2k3r h ARG 17 CO 0.02 0.61 0.10 0.82 -1.07 0.00 0.00 179.97 180.46 2k3r h ILE 18 N 0.60 1.24 -0.26 2.04 2.04 -1.85 0.15 117.51 121.47 2k3r h ILE 18 Ca 0.15 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2k3r h ILE 18 Cb 0.18 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2k3r h ILE 18 CO -0.01 0.30 0.14 -0.78 0.00 0.00 0.00 178.15 177.79 2k3r h ASP 19 N 0.61 0.33 -0.48 1.72 3.58 -0.22 0.73 116.42 122.68 2k3r h ASP 19 Ca 0.14 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2k3r h ASP 19 Cb 0.33 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2k3r h ASP 19 CO 0.00 0.34 0.13 0.40 -2.88 0.00 0.00 179.24 177.22 2k3r h ILE 20 N 0.30 1.23 -0.75 2.25 1.08 -0.77 -2.68 117.51 118.18 2k3r h ILE 20 Ca 0.09 -0.81 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 2k3r h ILE 20 Cb 0.08 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 2k3r h ILE 20 CO -0.01 0.29 0.35 0.25 -0.69 0.00 0.00 178.15 178.34 2k3r h LEU 21 N 0.64 0.99 -0.41 1.44 5.85 -0.49 -2.87 115.31 120.47 2k3r h LEU 21 Ca 0.15 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2k3r h LEU 21 Cb 0.31 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2k3r h LEU 21 CO -0.00 0.85 0.25 0.15 -0.34 0.00 0.00 178.44 179.35 2k3r h PHE 22 N 1.05 0.47 -0.74 1.25 3.57 0.79 0.40 116.94 123.74 2k3r h PHE 22 Ca 0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2k3r h PHE 22 Cb 0.13 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2k3r h PHE 22 CO 0.01 0.29 0.38 0.66 -2.23 0.00 0.00 178.31 177.41 2k3r h SER 23 N 0.51 0.96 -0.65 0.41 4.64 -1.45 0.98 113.55 118.95 2k3r h SER 23 Ca 0.16 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2k3r h SER 23 Cb -0.02 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 2k3r h SER 23 CO -0.06 0.81 0.23 -0.07 -0.87 0.00 0.00 176.83 176.87 2k3r h LEU 24 N 1.04 0.92 -1.07 5.97 3.38 -1.23 -1.55 115.31 122.77 2k3r h LEU 24 Ca 0.26 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2k3r h LEU 24 Cb 0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2k3r h LEU 24 CO -0.04 0.86 0.19 0.00 0.09 0.00 0.00 178.44 179.55 2k3r h ALA 25 N 1.10 1.26 -0.46 1.53 0.00 0.01 -2.21 119.26 120.47 2k3r h ALA 25 Ca 0.21 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2k3r h ALA 25 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2k3r h ALA 25 CO -0.01 0.53 0.04 1.49 0.00 0.00 0.00 179.25 181.30 2k3r h GLU 26 N 0.84 0.79 -0.39 0.00 4.81 -0.52 -1.90 114.58 118.21 2k3r h GLU 26 Ca 0.19 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 2k3r h GLU 26 Cb 0.22 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2k3r h GLU 26 CO -0.01 0.83 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.00 2k3r h ARG 27 N 0.65 0.70 -0.52 1.92 2.43 -0.97 -3.24 114.38 115.35 2k3r h ARG 27 Ca 0.14 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 2k3r h ARG 27 Cb 0.45 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2k3r h ARG 27 CO 0.02 0.79 0.05 -0.24 -1.51 0.00 0.00 179.97 179.08 2k3r h VAL 28 N 0.52 1.24 -0.29 0.20 3.04 -1.48 -3.27 116.25 116.22 2k3r h VAL 28 Ca 0.11 -0.96 0.05 0.00 -1.01 0.00 0.00 66.70 64.89 2k3r h VAL 28 Cb 0.48 0.79 -0.08 0.00 -2.01 0.00 0.00 31.29 30.48 2k3r h VAL 28 CO 0.02 0.35 -0.51 0.15 -1.01 0.00 0.00 177.57 176.57 2k3r h PHE 29 N 0.79 -1.52 -0.16 3.17 3.57 -1.36 0.19 116.94 121.63 2k3r h PHE 29 Ca 0.16 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2k3r h PHE 29 Cb 0.41 0.70 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2k3r h PHE 29 CO 0.02 -0.50 0.03 -1.00 -2.23 0.00 0.00 178.31 174.63 2k3r h PRO 30 N -0.46 0.22 -0.48 6.41 0.13 -1.70 -2.76 132.00 133.37 2k3r h PRO 30 Ca 0.07 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 2k3r h PRO 30 Cb 0.63 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 2k3r h PRO 30 CO -0.52 0.21 0.18 1.88 -0.23 0.00 0.00 178.00 179.53 2k3r h TYR 31 N 0.22 0.74 -1.59 1.56 -1.99 -1.21 -3.46 116.97 111.24 2k3r h TYR 31 Ca 0.05 -0.06 0.11 0.00 2.00 0.00 0.00 58.73 60.83 2k3r h TYR 31 Cb 0.10 -0.22 -0.23 0.00 2.00 0.00 0.00 36.73 38.39 2k3r h TYR 31 CO 0.00 0.63 0.10 0.45 -0.00 0.00 0.00 178.16 179.35 2k3r s SER 32 N -5.98 -0.81 0.26 3.88 0.15 0.53 -5.03 113.70 106.69 2k3r s SER 32 Ca -0.13 1.18 -0.02 0.00 0.70 0.00 0.00 55.95 57.67 2k3r s SER 32 Cb 0.11 1.75 0.47 0.00 -1.71 0.00 0.00 66.02 66.63 2k3r s SER 32 CO 0.77 -0.17 1.80 -0.65 1.20 0.00 0.00 173.24 176.19 2k3r h PRO 33 N 7.32 0.76 -0.25 5.44 0.11 -1.81 -2.62 132.00 140.95 2k3r h PRO 33 Ca -0.21 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.76 2k3r h PRO 33 Cb 1.14 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2k3r h PRO 33 CO 0.12 0.50 -0.20 0.93 -0.21 0.00 0.00 178.00 179.14 2k3r h GLU 34 N 0.78 0.57 -0.65 1.05 5.08 -1.93 -0.31 114.58 119.17 2k3r h GLU 34 Ca 0.44 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2k3r h GLU 34 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2k3r h GLU 34 CO -0.28 0.87 0.23 -0.07 -1.00 0.00 0.00 179.01 178.75 2k3r h LEU 35 N 0.28 0.93 -1.38 1.33 3.38 -1.90 -3.09 115.31 114.86 2k3r h LEU 35 Ca 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2k3r h LEU 35 Cb 0.74 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2k3r h LEU 35 CO 0.05 0.87 0.09 0.00 0.09 0.00 0.00 178.44 179.55 2k3r h ALA 36 N 1.09 1.51 -0.43 1.53 0.00 -1.21 -0.58 119.26 121.17 2k3r h ALA 36 Ca 0.21 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2k3r h ALA 36 Cb 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2k3r h ALA 36 CO -0.01 0.37 0.23 -0.22 0.00 0.00 0.00 179.25 179.62 2k3r h LYS 37 N 0.50 0.45 -0.45 0.00 1.63 -0.98 0.65 116.57 118.37 2k3r h LYS 37 Ca 0.12 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 2k3r h LYS 37 Cb 0.19 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2k3r h LYS 37 CO -0.00 0.29 0.12 -0.09 -3.45 0.00 0.00 179.45 176.31 2k3r h ARG 38 N 0.46 0.71 -0.36 1.90 2.43 -1.11 -2.10 114.38 116.32 2k3r h ARG 38 Ca 0.18 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2k3r h ARG 38 Cb 0.06 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2k3r h ARG 38 CO -0.11 0.71 0.16 1.88 -1.51 0.00 0.00 179.97 181.10 2k3r h TYR 39 N 0.59 0.52 -0.41 2.20 0.05 -1.00 -0.33 116.97 118.59 2k3r h TYR 39 Ca 0.14 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 2k3r h TYR 39 Cb 0.31 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2k3r h TYR 39 CO 0.02 0.45 0.09 0.28 -1.05 0.00 0.00 178.16 177.95 2k3r h VAL 40 N 0.43 1.23 -0.21 -2.88 2.07 -0.90 -2.16 116.25 113.83 2k3r h VAL 40 Ca 0.12 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 2k3r h VAL 40 Cb 0.13 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2k3r h VAL 40 CO -0.01 0.28 -0.10 -0.08 0.02 0.00 0.00 177.57 177.68 2k3r h GLU 41 N 0.53 0.34 -0.66 1.57 4.81 -1.06 0.78 114.58 120.89 2k3r h GLU 41 Ca 0.13 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2k3r h GLU 41 Cb 0.33 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2k3r h GLU 41 CO 0.00 0.45 0.38 1.25 -0.73 0.00 0.00 179.01 180.36 2k3r h LEU 42 N 0.32 0.81 -0.72 1.64 5.85 -1.07 -2.29 115.31 119.86 2k3r h LEU 42 Ca 0.07 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2k3r h LEU 42 Cb 0.38 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2k3r h LEU 42 CO 0.02 0.66 0.22 0.00 -0.34 0.00 0.00 178.44 179.00 2k3r h ALA 43 N 1.19 0.94 -0.63 1.25 0.00 0.12 -1.59 119.26 120.53 2k3r h ALA 43 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k3r h ALA 43 Cb 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2k3r h ALA 43 CO -0.04 0.62 0.23 -0.07 0.00 0.00 0.00 179.25 179.99 2k3r h LEU 44 N 1.06 0.90 -0.75 0.00 4.07 -0.63 0.50 115.31 120.45 2k3r h LEU 44 Ca 0.23 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 2k3r h LEU 44 Cb 0.31 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 2k3r h LEU 44 CO -0.01 0.84 0.37 -0.07 -1.08 0.00 0.00 178.44 178.49 2k3r h LEU 45 N 0.90 0.98 -0.45 1.67 4.07 -1.30 -1.34 115.31 119.84 2k3r h LEU 45 Ca 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 2k3r h LEU 45 Cb 0.24 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 2k3r h LEU 45 CO -0.01 0.84 0.20 0.58 -1.08 0.00 0.00 178.44 178.97 2k3r h VAL 46 N 1.06 1.19 -0.45 1.22 2.07 -0.96 -2.25 116.25 118.12 2k3r h VAL 46 Ca 0.26 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2k3r h VAL 46 Cb 0.11 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2k3r h VAL 46 CO -0.03 0.21 0.19 -0.61 0.02 0.00 0.00 177.57 177.35 2k3r h GLN 47 N 0.58 0.67 -0.50 1.57 4.15 0.32 0.35 115.11 122.24 2k3r h GLN 47 Ca 0.15 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 2k3r h GLN 47 Cb 0.14 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2k3r h GLN 47 CO -0.02 0.60 -0.03 -0.56 -1.93 0.00 0.00 178.83 176.89 2k3r h GLN 48 N 0.59 0.91 -0.61 1.69 3.07 -1.26 0.29 115.11 119.78 2k3r h GLN 48 Ca 0.15 -0.30 -0.04 0.00 0.09 0.00 0.00 58.65 58.55 2k3r h GLN 48 Cb 0.17 -0.07 -0.03 0.00 0.08 0.00 0.00 27.48 27.63 2k3r h GLN 48 CO -0.01 0.95 0.23 0.87 0.09 0.00 0.00 178.83 180.95 2k3r h LYS 49 N 0.77 0.93 0.00 0.06 1.79 -1.15 -2.16 116.57 116.80 2k3r h LYS 49 Ca 0.14 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2k3r h LYS 49 Cb 0.56 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2k3r h LYS 49 CO 0.03 0.80 0.00 0.00 -1.08 0.00 0.00 179.45 179.20 2k3r n ALA 50 N -2.38 2.04 -3.87 3.86 0.00 0.12 -4.95 120.51 115.32 2k3r n ALA 50 Ca 0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 2k3r n ALA 50 Cb 0.18 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2k3r n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k3r n LYS 51 N -2.03 -4.02 -5.12 0.00 5.02 0.99 -4.97 118.16 108.03 2k3r n LYS 51 Ca 0.05 0.49 -0.32 0.00 -2.02 0.00 0.00 58.31 56.51 2k3r n LYS 51 Cb 0.33 -4.85 -0.16 0.00 -0.02 0.00 0.00 35.03 30.33 2k3r n LYS 51 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2k3r s VAL 52 N -3.79 2.31 -0.03 -0.18 -7.23 -1.03 -5.05 120.40 105.40 2k3r s VAL 52 Ca 0.07 -0.94 -0.03 0.00 -1.81 0.00 0.00 61.98 59.28 2k3r s VAL 52 Cb -0.04 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2k3r s VAL 52 CO 0.86 0.55 0.14 -0.54 -0.31 0.00 0.00 175.10 175.80 2k3r s LYS 53 N 0.25 3.30 -0.22 4.82 1.02 -1.26 -4.84 119.74 122.81 2k3r s LYS 53 Ca -0.14 -0.35 -0.04 0.00 0.02 0.00 0.00 55.97 55.45 2k3r s LYS 53 Cb -0.17 -3.02 0.08 0.00 -0.52 0.00 0.00 37.83 34.20 2k3r s LYS 53 CO 0.07 0.68 0.14 0.96 -0.92 0.00 0.00 175.35 176.28 2k3r s ILE 54 N -1.22 -0.14 0.38 2.17 -4.36 -1.26 -5.03 121.20 111.73 2k3r s ILE 54 Ca 0.24 -0.34 0.09 0.00 -0.26 0.00 0.00 60.65 60.38 2k3r s ILE 54 Cb -0.12 -0.73 0.31 0.00 1.25 0.00 0.00 42.46 43.17 2k3r s ILE 54 CO 0.14 -0.40 1.95 -0.65 0.24 0.00 0.00 174.94 176.22 2k3r h PRO 55 N 8.39 0.63 0.00 0.37 0.11 -2.01 -3.31 132.00 136.18 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 1.11 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2k3r h PRO 55 CO 0.33 0.41 -1.02 0.54 -0.21 0.00 0.00 178.00 178.06 2k3r n ARG 56 N -4.49 1.03 -0.17 1.05 1.74 -1.26 -4.35 116.66 110.22 2k3r n ARG 56 Ca 0.11 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.11 2k3r n ARG 56 Cb 0.30 -1.01 0.01 0.00 -1.02 0.00 0.00 32.46 30.75 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 0.72 0.00 5.56 1.57 -1.97 -2.73 116.57 119.71 2k3r h LYS 57 Ca -0.01 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.45 2k3r h LYS 57 Cb 1.01 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 2k3r h LYS 57 CO -0.00 0.63 -1.73 0.91 -0.57 0.00 0.00 179.45 178.69 2k3r n TRP 58 N -4.58 0.00 -0.25 -1.35 7.02 -1.26 -4.51 117.44 112.51 2k3r n TRP 58 Ca 0.01 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.43 2k3r n TRP 58 Cb 0.15 -0.52 0.05 0.00 -2.42 0.00 0.00 31.31 28.56 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 1.08 -0.02 -0.99 1.57 -1.68 -2.57 116.57 113.96 2k3r h LYS 59 Ca -0.29 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2k3r h LYS 59 Cb 1.61 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.76 2k3r h LYS 59 CO 0.00 0.92 -0.17 0.54 -0.57 0.00 0.00 179.45 180.17 2k3r n ARG 60 N -4.32 1.45 -0.59 3.15 5.12 -1.03 -4.48 116.66 115.95 2k3r n ARG 60 Ca 0.05 -1.01 0.06 0.00 -1.93 0.00 0.00 57.85 55.02 2k3r n ARG 60 Cb 0.21 -1.48 0.20 0.00 -1.16 0.00 0.00 32.46 30.23 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 0.11 1.49 -3.92 5.56 1.74 -0.97 -4.95 116.66 115.71 2k3r n ARG 61 Ca 0.14 -3.19 -0.09 0.00 -0.77 0.00 0.00 57.85 53.95 2k3r n ARG 61 Cb 0.42 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 30.24 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 -3.07 0.28 0.37 -1.55 1.13 -1.21 0.03 117.35 113.33 2k3r s TYR 62 Ca 0.37 -0.72 -0.25 0.00 -1.41 0.00 0.00 57.07 55.06 2k3r s TYR 62 Cb 0.36 -0.14 -0.09 0.00 -1.10 0.00 0.00 41.96 40.99 2k3r s TYR 62 CO -0.07 -0.53 1.05 0.00 -2.51 0.00 0.00 175.55 173.50 2k3r h LYS 64 N 2.80 1.17 0.01 0.00 1.79 -1.97 -2.30 116.57 118.06 2k3r h LYS 64 Ca -0.48 -0.19 -0.38 0.00 -2.18 0.00 0.00 60.65 57.42 2k3r h LYS 64 Cb 1.21 -0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 31.60 2k3r h LYS 64 CO 0.63 0.92 -2.11 1.63 -1.08 0.00 0.00 179.45 179.44 2k3r n LYS 65 N -4.33 0.59 0.05 3.15 5.02 -1.26 -4.59 118.16 116.80 2k3r n LYS 65 Ca 0.07 0.35 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 2k3r n LYS 65 Cb 0.15 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 33.63 2k3r n LYS 65 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3r n HIS 67 N -3.87 -1.54 -4.21 0.00 8.25 -0.86 -4.75 115.22 108.23 2k3r n HIS 67 Ca -0.04 0.65 -0.17 0.00 -0.26 0.00 0.00 57.72 57.90 2k3r n HIS 67 Cb 0.67 -4.12 -0.11 0.00 1.12 0.00 0.00 29.99 27.54 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 -3.25 1.34 0.13 -1.41 0.00 -1.26 -3.10 121.76 114.21 2k3r s ALA 68 Ca 0.02 -1.19 -0.31 0.00 0.00 0.00 0.00 51.96 50.47 2k3r s ALA 68 Cb -0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.96 2k3r s ALA 68 CO 0.51 0.10 1.59 0.12 0.00 0.00 0.00 175.76 178.07 2k3r s PHE 69 N -1.95 2.88 -0.43 0.00 2.19 -1.26 -0.40 117.98 119.00 2k3r s PHE 69 Ca 0.05 0.55 -0.09 0.00 0.33 0.00 0.00 56.93 57.77 2k3r s PHE 69 Cb -0.06 -3.93 0.09 0.00 -1.31 0.00 0.00 43.02 37.82 2k3r s PHE 69 CO 0.02 -3.51 0.28 -1.17 1.83 0.00 0.00 175.22 172.68 2k3r s LEU 70 N 1.59 5.32 0.01 6.12 1.98 0.10 -4.75 118.68 129.05 2k3r s LEU 70 Ca 0.71 -1.66 0.02 0.00 -2.89 0.00 0.00 54.13 50.31 2k3r s LEU 70 Cb -0.42 -1.99 -0.01 0.00 0.66 0.00 0.00 46.19 44.43 2k3r s LEU 70 CO 0.31 -0.59 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.44 2k3r s VAL 71 N 1.39 0.41 0.49 1.68 1.01 -1.26 -4.64 120.40 119.48 2k3r s VAL 71 Ca 0.04 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 2k3r s VAL 71 Cb -0.24 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 2k3r s VAL 71 CO 0.01 0.00 1.34 -2.84 0.00 0.00 0.00 175.10 173.61 2k3r s PRO 72 N -0.42 3.50 0.00 2.72 0.02 -1.26 -3.51 135.00 136.04 2k3r s PRO 72 Ca -0.01 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.22 2k3r s PRO 72 Cb -0.04 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 32.02 2k3r s PRO 72 CO -0.00 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 2k3r n GLY 73 N 0.64 3.42 0.15 0.52 0.00 0.45 -4.93 105.19 105.44 2k3r n GLY 73 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.83 0.00 0.35 -0.61 5.41 -1.23 -4.81 119.36 116.64 2k3r n ILE 74 Ca 0.00 0.17 0.08 0.00 1.00 0.00 0.00 62.75 64.00 2k3r n ILE 74 Cb 0.00 -1.10 0.12 0.00 -0.71 0.00 0.00 39.64 37.95 2k3r n ILE 74 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2k3r n ASN 75 N -1.92 2.68 -3.55 4.38 6.94 -1.26 -4.68 115.26 117.84 2k3r n ASN 75 Ca 0.00 -1.78 -0.16 0.00 -0.02 0.00 0.00 54.58 52.62 2k3r n ASN 75 Cb 0.00 -0.11 -0.06 0.00 -2.36 0.00 0.00 39.78 37.25 2k3r n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k3r s ALA 76 N -1.22 -1.56 0.02 -2.53 0.00 -1.25 0.34 121.76 115.56 2k3r s ALA 76 Ca 0.24 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.25 2k3r s ALA 76 Cb 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2k3r s ALA 76 CO 0.21 -0.41 -0.11 0.50 0.00 0.00 0.00 175.76 175.96 2k3r s ARG 77 N -1.60 0.77 -0.08 0.00 3.52 0.16 0.17 118.95 121.89 2k3r s ARG 77 Ca -0.10 -0.55 0.04 0.00 -0.13 0.00 0.00 55.73 54.99 2k3r s ARG 77 Cb -0.01 -0.73 0.00 0.00 -1.56 0.00 0.00 34.95 32.66 2k3r s ARG 77 CO 0.06 0.18 -0.20 0.54 -0.81 0.00 0.00 175.30 175.07 2k3r s VAL 78 N -0.63 1.73 -0.13 7.11 0.11 -1.26 -1.30 120.40 126.03 2k3r s VAL 78 Ca 0.01 -0.83 -0.05 0.00 -2.93 0.00 0.00 61.98 58.17 2k3r s VAL 78 Cb -0.06 -1.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 2k3r s VAL 78 CO 0.00 0.49 0.07 -0.13 -3.33 0.00 0.00 175.10 172.20 2k3r s ARG 79 N 0.37 3.47 -0.31 1.54 0.52 -0.49 -4.95 118.95 119.10 2k3r s ARG 79 Ca -0.15 -0.29 -0.08 0.00 -0.52 0.00 0.00 55.73 54.69 2k3r s ARG 79 Cb -0.16 -3.07 0.01 0.00 0.52 0.00 0.00 34.95 32.25 2k3r s ARG 79 CO 0.06 0.59 0.11 -0.51 0.02 0.00 0.00 175.30 175.57 2k3r s LEU 80 N -0.52 4.02 -0.11 2.53 1.02 -1.26 -1.32 118.68 123.04 2k3r s LEU 80 Ca 0.11 -0.75 -0.03 0.00 0.02 0.00 0.00 54.13 53.47 2k3r s LEU 80 Cb -0.12 -1.91 -0.03 0.00 0.02 0.00 0.00 46.19 44.15 2k3r s LEU 80 CO 0.02 -0.22 0.02 -0.13 0.02 0.00 0.00 176.35 176.06 2k3r s ARG 81 N 1.51 3.24 -0.26 1.70 0.52 -0.80 -5.04 118.95 119.82 2k3r s ARG 81 Ca 0.02 -0.37 -0.03 0.00 -0.52 0.00 0.00 55.73 54.83 2k3r s ARG 81 Cb -0.18 -2.91 0.02 0.00 0.52 0.00 0.00 34.95 32.40 2k3r s ARG 81 CO 0.03 0.61 -0.02 -1.14 0.02 0.00 0.00 175.30 174.81 2k3r s GLN 82 N -0.62 2.99 0.29 3.54 2.00 -1.26 -3.56 119.66 123.04 2k3r s GLN 82 Ca 0.11 -0.89 0.02 0.00 -2.00 0.00 0.00 55.36 52.60 2k3r s GLN 82 Cb -0.12 -3.10 -0.05 0.00 0.80 0.00 0.00 33.01 30.54 2k3r s GLN 82 CO 0.02 -0.38 0.11 0.15 -0.50 0.00 0.00 175.29 174.69 2k3r s LYS 83 N 1.40 1.53 -1.38 1.67 1.02 -1.26 -4.99 119.74 117.72 2k3r s LYS 83 Ca 0.02 -1.85 -0.08 0.00 0.02 0.00 0.00 55.97 54.07 2k3r s LYS 83 Cb -0.16 -0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 36.74 2k3r s LYS 83 CO -0.02 -0.32 2.89 0.54 -0.92 0.00 0.00 175.35 177.52 2k3r n ARG 84 N -0.56 3.72 -3.56 1.68 1.74 -1.26 -4.08 116.66 114.34 2k3r n ARG 84 Ca -0.01 -2.38 -0.13 0.00 -0.77 0.00 0.00 57.85 54.57 2k3r n ARG 84 Cb 0.66 -2.67 -0.11 0.00 -1.02 0.00 0.00 32.46 29.31 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 1.21 0.23 0.39 5.56 1.75 -1.26 -5.15 119.30 122.02 2k3r s MET 85 Ca 0.66 0.64 -0.27 0.00 -1.25 0.00 0.00 55.69 55.47 2k3r s MET 85 Cb 0.20 -0.31 -0.10 0.00 2.84 0.00 0.00 34.83 37.46 2k3r s MET 85 CO -0.07 -0.43 1.41 -2.14 -0.65 0.00 0.00 175.02 173.14 2k3r s PRO 86 N 2.46 4.05 -0.08 4.11 0.02 -1.12 -4.85 135.00 139.59 2k3r s PRO 86 Ca 0.04 2.40 -0.25 0.00 0.02 0.00 0.00 61.00 63.21 2k3r s PRO 86 Cb -0.13 -2.89 0.06 0.00 0.02 0.00 0.00 34.50 31.55 2k3r s PRO 86 CO -0.11 -0.52 0.57 -3.38 -0.33 0.00 0.00 177.00 173.23 2k3r s HIS 87 N -1.17 -0.54 0.03 6.54 -3.43 -1.23 -1.49 115.29 114.00 2k3r s HIS 87 Ca 0.54 1.03 0.04 0.00 -0.80 0.00 0.00 55.06 55.87 2k3r s HIS 87 Cb -0.43 0.29 -0.02 0.00 -1.43 0.00 0.00 32.58 30.99 2k3r s HIS 87 CO 0.57 -0.49 -0.12 0.96 -2.00 0.00 0.00 174.74 173.66 2k3r s ILE 88 N -0.89 0.92 -0.10 -5.38 -4.36 -0.84 -1.91 121.20 108.64 2k3r s ILE 88 Ca -0.09 -0.92 0.03 0.00 -0.26 0.00 0.00 60.65 59.41 2k3r s ILE 88 Cb -0.02 -0.85 -0.01 0.00 1.25 0.00 0.00 42.46 42.83 2k3r s ILE 88 CO 0.07 -0.05 -0.20 0.68 0.24 0.00 0.00 174.94 175.67 2k3r s VAL 89 N -0.86 2.44 -0.08 8.37 -7.23 -0.43 -1.37 120.40 121.24 2k3r s VAL 89 Ca -0.01 -0.89 0.04 0.00 -1.81 0.00 0.00 61.98 59.31 2k3r s VAL 89 Cb -0.08 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.90 2k3r s VAL 89 CO 0.01 0.55 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.44 2k3r s VAL 90 N 0.23 1.90 -0.10 1.32 1.01 0.14 -1.40 120.40 123.51 2k3r s VAL 90 Ca -0.13 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 60.95 2k3r s VAL 90 Cb -0.16 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 2k3r s VAL 90 CO 0.07 0.53 -0.24 -1.59 0.00 0.00 0.00 175.10 173.87 2k3r s LYS 91 N 0.27 3.04 -0.11 2.72 0.00 -0.42 1.00 119.74 126.24 2k3r s LYS 91 Ca -0.15 -0.88 0.01 0.00 0.00 0.00 0.00 55.97 54.96 2k3r s LYS 91 Cb -0.17 -2.30 -0.01 0.00 0.00 0.00 0.00 37.83 35.35 2k3r s LYS 91 CO 0.07 0.19 -0.16 0.00 0.00 0.00 0.00 175.35 175.45 2k3r h LEU 93 N 6.54 1.09 -0.86 0.00 3.38 -0.45 0.24 115.31 125.25 2k3r h LEU 93 Ca -0.27 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 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 0.53 0.94 -0.00 -0.33 0.09 0.00 0.00 178.44 179.67 2k3r h GLU 94 N 1.16 0.84 0.04 1.13 4.39 -1.94 0.55 114.58 120.76 2k3r h GLU 94 Ca 0.27 -0.23 -0.24 0.00 0.34 0.00 0.00 59.36 59.50 2k3r h GLU 94 Cb 0.18 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2k3r h GLU 94 CO -0.03 0.84 -1.03 0.00 -1.16 0.00 0.00 179.01 177.64 2k3r n GLY 96 N 1.12 0.48 3.39 0.00 0.00 0.80 -5.03 105.19 105.94 2k3r n GLY 96 Ca -0.07 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.99 2.33 -0.13 1.61 3.76 -1.22 -4.94 115.29 114.71 2k3r s HIS 97 Ca 0.00 -0.38 -0.17 0.00 -0.15 0.00 0.00 55.06 54.36 2k3r s HIS 97 Cb 0.00 -1.29 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 2k3r s HIS 97 CO 0.00 0.29 0.42 -1.50 -0.85 0.00 0.00 174.74 173.11 2k3r s ILE 98 N -1.01 5.22 -0.08 0.60 1.10 -1.26 -2.42 121.20 123.35 2k3r s ILE 98 Ca 0.14 0.84 0.01 0.00 -0.51 0.00 0.00 60.65 61.13 2k3r s ILE 98 Cb -0.10 -3.76 -0.03 0.00 0.15 0.00 0.00 42.46 38.72 2k3r s ILE 98 CO 0.05 0.34 -0.10 -0.04 -2.11 0.00 0.00 174.94 173.09 2k3r s MET 99 N 0.58 2.84 -0.13 3.50 -1.94 0.28 -4.96 119.30 119.46 2k3r s MET 99 Ca 0.23 -0.61 -0.06 0.00 -1.71 0.00 0.00 55.69 53.54 2k3r s MET 99 Cb -0.14 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 2k3r s MET 99 CO 0.08 0.55 0.08 1.03 -0.01 0.00 0.00 175.02 176.76 2k3r s ARG 100 N -0.52 3.52 -0.31 2.03 0.52 -1.26 0.28 118.95 123.21 2k3r s ARG 100 Ca 0.07 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2k3r s ARG 100 Cb -0.12 -3.11 0.10 0.00 0.52 0.00 0.00 34.95 32.34 2k3r s ARG 100 CO 0.02 0.59 0.08 -0.47 0.02 0.00 0.00 175.30 175.54 2k3r s TYR 101 N -0.51 2.14 0.42 -0.53 6.14 -0.47 -5.00 117.35 119.54 2k3r s TYR 101 Ca 0.11 -1.98 -0.26 0.00 0.64 0.00 0.00 57.07 55.58 2k3r s TYR 101 Cb -0.12 -1.95 -0.09 0.00 0.42 0.00 0.00 41.96 40.23 2k3r s TYR 101 CO 0.02 -0.88 1.41 -2.14 0.64 0.00 0.00 175.55 174.60 2k3r s PRO 102 N 1.47 3.89 0.04 4.97 0.02 -1.26 -1.98 135.00 142.13 2k3r s PRO 102 Ca 0.09 2.40 0.04 0.00 0.02 0.00 0.00 61.00 63.55 2k3r s PRO 102 Cb -0.18 -2.78 -0.02 0.00 0.02 0.00 0.00 34.50 31.54 2k3r s PRO 102 CO -0.21 -0.65 -0.13 0.71 -0.33 0.00 0.00 177.00 176.40 2k3r s TYR 103 N -1.19 1.12 0.20 6.54 1.51 -0.55 -4.95 117.35 120.03 2k3r s TYR 103 Ca 0.57 -0.35 0.07 0.00 -1.01 0.00 0.00 57.07 56.36 2k3r s TYR 103 Cb -0.43 -0.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 2k3r s TYR 103 CO 0.56 0.02 -0.14 0.96 -1.11 0.00 0.00 175.55 175.84 2k3r s ILE 104 N -0.84 1.68 -2.00 2.71 -4.36 -1.26 -2.78 121.20 114.34 2k3r s ILE 104 Ca 0.01 -2.18 0.30 0.00 -0.26 0.00 0.00 60.65 58.51 2k3r s ILE 104 Cb -0.08 -2.01 0.84 0.00 1.25 0.00 0.00 42.46 42.46 2k3r s ILE 104 CO 0.01 -0.60 2.10 0.29 0.24 0.00 0.00 174.94 176.97