#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 1.01 -0.43 1.64 4.81 -2.04 -1.26 114.58 118.31 2k3r h GLU 16 Ca 0.00 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 2k3r h GLU 16 Cb 0.00 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2k3r h GLU 16 CO 0.00 1.01 0.16 -0.09 -0.73 0.00 0.00 179.01 179.36 2k3r h ARG 17 N 0.89 0.66 -0.45 1.92 2.43 -2.03 -1.74 114.38 116.06 2k3r h ARG 17 Ca 0.16 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 2k3r h ARG 17 Cb 0.57 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2k3r h ARG 17 CO 0.03 0.62 -0.19 0.97 -1.51 0.00 0.00 179.97 179.89 2k3r h ILE 18 N 0.55 1.27 -0.86 1.20 2.10 -1.94 -3.06 117.51 116.77 2k3r h ILE 18 Ca 0.14 -1.33 -0.02 0.00 1.08 0.00 0.00 64.86 64.74 2k3r h ILE 18 Cb 0.22 1.12 -0.04 0.00 -1.09 0.00 0.00 36.82 37.04 2k3r h ILE 18 CO -0.01 0.45 0.45 0.44 -1.08 0.00 0.00 178.15 178.41 2k3r h ASP 19 N 0.78 1.08 -0.48 2.19 3.32 -0.85 0.13 116.42 122.59 2k3r h ASP 19 Ca 0.11 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2k3r h ASP 19 Cb 0.73 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2k3r h ASP 19 CO 0.06 0.88 0.18 0.40 -1.72 0.00 0.00 179.24 179.04 2k3r h ILE 20 N 1.21 1.21 -0.78 0.35 2.04 -1.29 -2.43 117.51 117.82 2k3r h ILE 20 Ca 0.30 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 2k3r h ILE 20 Cb 0.05 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2k3r h ILE 20 CO -0.05 0.25 0.33 0.25 0.00 0.00 0.00 178.15 178.94 2k3r h LEU 21 N 0.63 1.06 -0.56 1.44 5.85 -1.38 -1.81 115.31 120.54 2k3r h LEU 21 Ca 0.16 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2k3r h LEU 21 Cb 0.22 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2k3r h LEU 21 CO -0.01 0.93 0.31 0.15 -0.34 0.00 0.00 178.44 179.48 2k3r h PHE 22 N 1.12 0.57 -0.68 1.25 3.57 -0.78 0.21 116.94 122.20 2k3r h PHE 22 Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2k3r h PHE 22 Cb 0.18 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2k3r h PHE 22 CO 0.02 0.30 0.43 1.03 -2.23 0.00 0.00 178.31 177.86 2k3r h SER 23 N 0.60 0.79 -0.69 0.41 0.87 -0.91 0.08 113.55 114.71 2k3r h SER 23 Ca 0.24 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2k3r h SER 23 Cb 0.10 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2k3r h SER 23 CO -0.14 0.59 0.31 -0.07 -0.53 0.00 0.00 176.83 176.99 2k3r h LEU 24 N 0.92 0.92 -0.94 2.23 3.38 -0.81 -0.74 115.31 120.28 2k3r h LEU 24 Ca 0.25 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2k3r h LEU 24 Cb -0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 2k3r h LEU 24 CO -0.05 0.81 0.19 0.00 0.09 0.00 0.00 178.44 179.48 2k3r h ALA 25 N 1.14 1.14 -0.39 1.53 0.00 -0.41 -1.90 119.26 120.38 2k3r h ALA 25 Ca 0.23 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2k3r h ALA 25 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2k3r h ALA 25 CO -0.03 0.59 -0.04 1.49 0.00 0.00 0.00 179.25 181.27 2k3r h GLU 26 N 0.93 0.72 -0.42 0.00 4.81 -0.28 -1.85 114.58 118.49 2k3r h GLU 26 Ca 0.21 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 2k3r h GLU 26 Cb 0.28 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2k3r h GLU 26 CO -0.01 0.83 0.07 -0.09 -0.73 0.00 0.00 179.01 179.09 2k3r h ARG 27 N 0.54 0.69 -0.52 1.92 2.43 -0.79 -3.15 114.38 115.49 2k3r h ARG 27 Ca 0.11 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 2k3r h ARG 27 Cb 0.53 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2k3r h ARG 27 CO 0.03 0.72 0.03 -0.24 -1.51 0.00 0.00 179.97 179.00 2k3r h VAL 28 N 0.54 1.25 -0.60 0.20 3.04 -1.42 -3.32 116.25 115.93 2k3r h VAL 28 Ca 0.13 -1.00 0.07 0.00 -1.01 0.00 0.00 66.70 64.88 2k3r h VAL 28 Cb 0.37 0.82 -0.10 0.00 -2.01 0.00 0.00 31.29 30.37 2k3r h VAL 28 CO 0.01 0.36 -0.55 0.15 -1.01 0.00 0.00 177.57 176.53 2k3r h PHE 29 N 0.80 -1.70 -0.16 3.17 3.04 -1.29 0.11 116.94 120.92 2k3r h PHE 29 Ca 0.16 0.10 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 2k3r h PHE 29 Cb 0.44 0.82 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 2k3r h PHE 29 CO 0.03 -0.45 -0.03 -1.00 -2.02 0.00 0.00 178.31 174.84 2k3r h PRO 30 N -0.26 0.23 -0.29 6.41 0.13 -1.70 -3.17 132.00 133.35 2k3r h PRO 30 Ca 0.11 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 2k3r h PRO 30 Cb 0.54 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2k3r h PRO 30 CO -0.71 0.28 0.13 1.88 -0.23 0.00 0.00 178.00 179.36 2k3r h TYR 31 N 0.23 0.43 -1.64 1.56 -1.99 -1.26 -3.46 116.97 110.83 2k3r h TYR 31 Ca 0.05 -0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.85 2k3r h TYR 31 Cb 0.21 -0.13 -0.24 0.00 2.00 0.00 0.00 36.73 38.57 2k3r h TYR 31 CO 0.00 0.40 0.20 0.45 -0.00 0.00 0.00 178.16 179.21 2k3r s SER 32 N -5.67 -0.72 0.30 3.88 0.15 0.24 -5.03 113.70 106.86 2k3r s SER 32 Ca -0.13 1.10 0.01 0.00 0.70 0.00 0.00 55.95 57.63 2k3r s SER 32 Cb 0.09 1.45 0.55 0.00 -1.71 0.00 0.00 66.02 66.40 2k3r s SER 32 CO 0.72 -0.17 1.89 -0.65 1.20 0.00 0.00 173.24 176.23 2k3r h PRO 33 N 6.76 0.97 -0.41 5.44 0.11 -1.80 -2.11 132.00 140.96 2k3r h PRO 33 Ca -0.26 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 2k3r h PRO 33 Cb 1.18 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2k3r h PRO 33 CO 0.16 0.64 -0.04 1.49 -0.21 0.00 0.00 178.00 180.04 2k3r h GLU 34 N 1.00 0.76 -0.65 1.05 4.81 -1.93 0.61 114.58 120.23 2k3r h GLU 34 Ca 0.43 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2k3r h GLU 34 Cb 0.32 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2k3r h GLU 34 CO -0.18 0.86 0.25 -0.07 -0.73 0.00 0.00 179.01 179.13 2k3r h LEU 35 N 0.58 0.91 -1.05 1.64 3.38 -1.83 -2.74 115.31 116.21 2k3r h LEU 35 Ca 0.11 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2k3r h LEU 35 Cb 0.54 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2k3r h LEU 35 CO 0.03 0.84 0.14 0.00 0.09 0.00 0.00 178.44 179.54 2k3r h ALA 36 N 1.10 1.24 -0.40 1.53 0.00 -1.01 -2.49 119.26 119.23 2k3r h ALA 36 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k3r h ALA 36 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2k3r h ALA 36 CO -0.02 0.53 0.23 -0.22 0.00 0.00 0.00 179.25 179.78 2k3r h LYS 37 N 0.79 0.55 -0.70 0.00 1.63 -0.58 0.44 116.57 118.70 2k3r h LYS 37 Ca 0.18 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.84 2k3r h LYS 37 Cb 0.28 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 2k3r h LYS 37 CO -0.00 0.43 0.15 0.00 -3.45 0.00 0.00 179.45 176.57 2k3r h ARG 38 N 0.52 1.14 -0.71 1.90 3.08 -1.31 -1.65 114.38 117.34 2k3r h ARG 38 Ca 0.14 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2k3r h ARG 38 Cb 0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2k3r h ARG 38 CO -0.02 1.01 0.31 1.88 -1.07 0.00 0.00 179.97 182.07 2k3r h TYR 39 N 1.07 1.07 -0.39 3.04 0.05 -1.22 -2.89 116.97 117.70 2k3r h TYR 39 Ca 0.22 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 2k3r h TYR 39 Cb 0.40 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2k3r h TYR 39 CO 0.03 0.81 0.19 0.28 -1.05 0.00 0.00 178.16 178.43 2k3r h VAL 40 N 1.01 1.17 -0.30 -2.88 2.07 0.16 -1.70 116.25 115.78 2k3r h VAL 40 Ca 0.24 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2k3r h VAL 40 Cb 0.18 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2k3r h VAL 40 CO -0.02 0.18 -0.08 -0.33 0.02 0.00 0.00 177.57 177.33 2k3r h GLU 41 N 0.50 0.50 -0.63 1.57 5.08 -1.21 0.23 114.58 120.61 2k3r h GLU 41 Ca 0.14 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k3r h GLU 41 Cb 0.11 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2k3r h GLU 41 CO -0.02 0.59 0.31 1.25 -1.00 0.00 0.00 179.01 180.14 2k3r h LEU 42 N 0.47 0.82 -0.76 1.33 5.85 -1.49 -2.21 115.31 119.31 2k3r h LEU 42 Ca 0.09 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2k3r h LEU 42 Cb 0.43 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2k3r h LEU 42 CO 0.02 0.71 0.19 0.00 -0.34 0.00 0.00 178.44 179.02 2k3r h ALA 43 N 1.14 0.99 -0.64 1.25 0.00 0.39 0.47 119.26 122.86 2k3r h ALA 43 Ca 0.22 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k3r h ALA 43 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2k3r h ALA 43 CO -0.03 0.66 0.26 -0.07 0.00 0.00 0.00 179.25 180.07 2k3r h LEU 44 N 1.07 0.88 -0.75 0.00 -0.00 -0.80 0.54 115.31 116.25 2k3r h LEU 44 Ca 0.23 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 2k3r h LEU 44 Cb 0.35 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.74 2k3r h LEU 44 CO -0.00 0.81 0.32 -0.07 -0.00 0.00 0.00 178.44 179.50 2k3r h LEU 45 N 0.90 1.02 -0.47 1.67 4.07 -0.76 -2.64 115.31 119.10 2k3r h LEU 45 Ca 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2k3r h LEU 45 Cb 0.20 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 2k3r h LEU 45 CO -0.02 0.90 0.25 0.58 -1.08 0.00 0.00 178.44 179.07 2k3r h VAL 46 N 1.08 1.17 -0.33 1.22 2.07 0.24 -2.11 116.25 119.59 2k3r h VAL 46 Ca 0.25 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2k3r h VAL 46 Cb 0.18 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2k3r h VAL 46 CO -0.02 0.18 0.15 -0.61 0.02 0.00 0.00 177.57 177.29 2k3r h GLN 47 N 0.62 0.49 -0.34 1.57 4.15 -0.58 0.75 115.11 121.77 2k3r h GLN 47 Ca 0.16 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 2k3r h GLN 47 Cb 0.07 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2k3r h GLN 47 CO -0.02 0.46 -0.01 -0.56 -1.93 0.00 0.00 178.83 176.77 2k3r h GLN 48 N 0.40 0.61 -0.53 1.69 3.07 -1.52 0.26 115.11 119.09 2k3r h GLN 48 Ca 0.11 -0.20 -0.05 0.00 0.09 0.00 0.00 58.65 58.60 2k3r h GLN 48 Cb 0.14 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.63 2k3r h GLN 48 CO -0.01 0.74 0.13 0.87 0.09 0.00 0.00 178.83 180.65 2k3r h LYS 49 N 0.41 0.84 0.00 0.06 1.57 -1.10 -1.92 116.57 116.44 2k3r h LYS 49 Ca 0.10 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2k3r h LYS 49 Cb 0.47 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2k3r h LYS 49 CO 0.02 0.80 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 2k3r n ALA 50 N -2.39 2.12 -3.62 3.86 0.00 0.26 -4.95 120.51 115.79 2k3r n ALA 50 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2k3r n ALA 50 Cb 0.22 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.05 -2.32 -5.21 0.00 4.81 0.88 -4.94 118.16 109.33 2k3r n LYS 51 Ca 0.05 0.56 -0.32 0.00 -0.87 0.00 0.00 58.31 57.73 2k3r n LYS 51 Cb 0.35 -4.69 -0.17 0.00 0.02 0.00 0.00 35.03 30.54 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 -3.53 2.10 -0.11 3.15 -7.23 -0.97 -5.04 120.40 108.77 2k3r s VAL 52 Ca 0.34 -1.01 -0.10 0.00 -1.81 0.00 0.00 61.98 59.40 2k3r s VAL 52 Cb -0.10 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 2k3r s VAL 52 CO 0.83 0.56 0.21 -0.54 -0.31 0.00 0.00 175.10 175.85 2k3r s LYS 53 N 0.29 3.73 -0.17 4.82 1.02 -1.26 -4.88 119.74 123.29 2k3r s LYS 53 Ca -0.17 -0.00 -0.04 0.00 0.02 0.00 0.00 55.97 55.78 2k3r s LYS 53 Cb -0.17 -3.25 0.08 0.00 -0.52 0.00 0.00 37.83 33.97 2k3r s LYS 53 CO 0.08 0.64 0.24 0.96 -0.92 0.00 0.00 175.35 176.35 2k3r s ILE 54 N -0.69 -0.37 0.34 2.17 -4.36 -1.26 -5.05 121.20 111.99 2k3r s ILE 54 Ca 0.16 0.05 0.05 0.00 -0.26 0.00 0.00 60.65 60.66 2k3r s ILE 54 Cb -0.13 -0.58 0.30 0.00 1.25 0.00 0.00 42.46 43.30 2k3r s ILE 54 CO 0.05 -0.07 1.91 -0.65 0.24 0.00 0.00 174.94 176.43 2k3r h PRO 55 N 8.30 0.81 0.00 0.37 0.11 -2.03 -3.39 132.00 136.16 2k3r h PRO 55 Ca -0.16 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2k3r h PRO 55 Cb 1.14 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2k3r h PRO 55 CO 0.22 0.53 -0.27 0.54 -0.21 0.00 0.00 178.00 178.81 2k3r n ARG 56 N -4.51 3.48 -0.16 1.05 1.74 -1.26 -4.59 116.66 112.41 2k3r n ARG 56 Ca 0.14 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.13 2k3r n ARG 56 Cb 0.29 -0.64 0.01 0.00 -1.02 0.00 0.00 32.46 31.10 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 0.70 0.00 5.56 1.57 -1.97 -1.93 116.57 120.50 2k3r h LYS 57 Ca 0.00 -0.13 -0.31 0.00 -1.87 0.00 0.00 60.65 58.35 2k3r h LYS 57 Cb 0.07 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 2k3r h LYS 57 CO 0.00 0.63 -2.16 0.91 -0.57 0.00 0.00 179.45 178.27 2k3r n TRP 58 N -4.58 0.00 -0.21 -1.35 7.02 -1.26 -4.42 117.44 112.64 2k3r n TRP 58 Ca 0.01 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.41 2k3r n TRP 58 Cb 0.15 -0.82 0.03 0.00 -2.42 0.00 0.00 31.31 28.24 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 0.90 -0.03 -0.99 1.57 -1.81 -2.98 116.57 113.24 2k3r h LYS 59 Ca -0.46 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2k3r h LYS 59 Cb 1.99 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.17 2k3r h LYS 59 CO 0.01 0.80 -0.01 0.54 -0.57 0.00 0.00 179.45 180.22 2k3r n ARG 60 N -4.43 2.30 -0.30 3.15 5.12 -0.73 -4.50 116.66 117.28 2k3r n ARG 60 Ca 0.03 -1.91 0.09 0.00 -1.93 0.00 0.00 57.85 54.13 2k3r n ARG 60 Cb 0.20 -1.46 0.21 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 1.33 2.35 -4.20 5.56 1.74 -1.13 -4.95 116.66 117.35 2k3r n ARG 61 Ca 0.14 -2.70 -0.14 0.00 -0.77 0.00 0.00 57.85 54.38 2k3r n ARG 61 Cb 0.60 -1.69 -0.10 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 -2.75 1.13 0.73 -1.55 -0.85 -1.22 0.12 117.35 112.96 2k3r s TYR 62 Ca 0.37 -0.72 -0.11 0.00 -0.52 0.00 0.00 57.07 56.08 2k3r s TYR 62 Cb 0.31 -0.60 0.03 0.00 0.38 0.00 0.00 41.96 42.08 2k3r s TYR 62 CO 0.07 0.02 1.08 0.00 -1.52 0.00 0.00 175.55 175.20 2k3r h LYS 64 N -0.83 1.07 0.00 0.00 3.64 -1.97 -2.61 116.57 115.87 2k3r h LYS 64 Ca -0.44 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 58.68 2k3r h LYS 64 Cb 1.23 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2k3r h LYS 64 CO 0.53 0.90 -1.34 1.17 -2.27 0.00 0.00 179.45 178.44 2k3r n LYS 65 N -4.27 1.53 0.07 1.90 4.81 -1.26 -4.66 118.16 116.28 2k3r n LYS 65 Ca 0.06 -0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.44 2k3r n LYS 65 Cb 0.21 -1.15 0.21 0.00 0.02 0.00 0.00 35.03 34.32 2k3r n LYS 65 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k3r n HIS 67 N -4.05 0.00 -3.40 0.00 8.25 -0.98 -4.81 115.22 110.23 2k3r n HIS 67 Ca -0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.20 2k3r n HIS 67 Cb 0.46 -1.16 -0.01 0.00 1.12 0.00 0.00 29.99 30.40 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 -1.71 3.70 0.20 -1.41 0.00 -1.26 -4.52 121.76 116.76 2k3r s ALA 68 Ca 0.00 -0.89 -0.32 0.00 0.00 0.00 0.00 51.96 50.76 2k3r s ALA 68 Cb 0.00 -2.11 -0.11 0.00 0.00 0.00 0.00 23.12 20.90 2k3r s ALA 68 CO 0.00 0.02 1.65 0.12 0.00 0.00 0.00 175.76 177.55 2k3r s PHE 69 N -2.28 2.96 -0.54 0.00 2.19 -1.26 -1.66 117.98 117.41 2k3r s PHE 69 Ca 0.40 0.50 -0.18 0.00 0.33 0.00 0.00 56.93 57.98 2k3r s PHE 69 Cb -0.10 -4.04 0.09 0.00 -1.31 0.00 0.00 43.02 37.66 2k3r s PHE 69 CO 0.35 -3.88 0.60 -1.17 1.83 0.00 0.00 175.22 172.96 2k3r s LEU 70 N 1.02 5.40 -0.06 6.12 1.98 0.33 -4.75 118.68 128.70 2k3r s LEU 70 Ca 0.72 -1.29 -0.01 0.00 -2.89 0.00 0.00 54.13 50.65 2k3r s LEU 70 Cb -0.47 -2.32 0.03 0.00 0.66 0.00 0.00 46.19 44.09 2k3r s LEU 70 CO 0.33 -0.93 0.00 -0.69 -1.89 0.00 0.00 176.35 173.17 2k3r s VAL 71 N 2.35 0.35 0.47 1.68 1.01 -1.26 -4.85 120.40 120.15 2k3r s VAL 71 Ca 0.10 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 2k3r s VAL 71 Cb -0.23 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.57 2k3r s VAL 71 CO 0.08 0.25 1.37 -2.84 0.00 0.00 0.00 175.10 173.95 2k3r s PRO 72 N 1.82 3.59 0.00 2.72 0.02 -1.26 -2.75 135.00 139.14 2k3r s PRO 72 Ca 0.02 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2k3r s PRO 72 Cb -0.12 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.85 2k3r s PRO 72 CO -0.04 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 2k3r n GLY 73 N 0.63 1.72 0.41 0.52 0.00 0.64 -4.92 105.19 104.19 2k3r n GLY 73 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.63 -0.61 2.08 -1.11 -4.76 119.36 113.59 2k3r n ILE 74 Ca 0.00 0.08 0.09 0.00 0.56 0.00 0.00 62.75 63.48 2k3r n ILE 74 Cb 0.00 -0.93 0.10 0.00 -0.75 0.00 0.00 39.64 38.06 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 -1.92 2.68 -3.53 4.38 2.04 -1.24 -4.61 115.26 113.05 2k3r n ASN 75 Ca 0.00 -1.80 -0.16 0.00 -0.44 0.00 0.00 54.58 52.18 2k3r n ASN 75 Cb 0.00 -0.05 -0.05 0.00 -2.53 0.00 0.00 39.78 37.14 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 -1.47 -1.57 0.01 -2.53 0.00 -1.24 -0.00 121.76 114.96 2k3r s ALA 76 Ca 0.24 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.19 2k3r s ALA 76 Cb 0.16 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2k3r s ALA 76 CO 0.24 -0.46 -0.15 0.50 0.00 0.00 0.00 175.76 175.89 2k3r s ARG 77 N -1.91 1.08 -0.07 0.00 3.52 0.14 0.23 118.95 121.94 2k3r s ARG 77 Ca -0.08 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 54.93 2k3r s ARG 77 Cb -0.01 -1.07 0.00 0.00 -1.56 0.00 0.00 34.95 32.31 2k3r s ARG 77 CO 0.03 0.28 -0.19 0.54 -0.81 0.00 0.00 175.30 175.15 2k3r s VAL 78 N -0.56 1.64 -0.14 7.11 0.11 -1.26 -1.15 120.40 126.15 2k3r s VAL 78 Ca 0.04 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.26 2k3r s VAL 78 Cb -0.07 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.33 2k3r s VAL 78 CO 0.00 0.47 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.60 2k3r s ARG 79 N 0.28 3.47 -0.23 1.54 3.52 -0.63 -4.95 118.95 121.95 2k3r s ARG 79 Ca -0.12 -0.51 -0.07 0.00 -0.13 0.00 0.00 55.73 54.91 2k3r s ARG 79 Cb -0.15 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 2k3r s ARG 79 CO 0.05 0.35 0.06 -0.51 -0.81 0.00 0.00 175.30 174.44 2k3r s LEU 80 N 0.05 3.44 -0.13 -0.88 1.02 -1.26 -1.36 118.68 119.56 2k3r s LEU 80 Ca 0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 54.13 53.92 2k3r s LEU 80 Cb -0.13 -1.91 -0.04 0.00 0.02 0.00 0.00 46.19 44.13 2k3r s LEU 80 CO 0.03 0.00 0.05 -0.13 0.02 0.00 0.00 176.35 176.31 2k3r s ARG 81 N 1.39 3.47 -0.77 1.70 0.52 -0.13 -5.03 118.95 120.11 2k3r s ARG 81 Ca 0.05 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2k3r s ARG 81 Cb -0.15 -3.02 0.27 0.00 0.52 0.00 0.00 34.95 32.57 2k3r s ARG 81 CO 0.03 0.53 1.00 0.94 0.02 0.00 0.00 175.30 177.82 2k3r n GLN 82 N 2.70 3.21 -3.48 3.54 7.27 -1.26 -3.25 117.38 126.11 2k3r n GLN 82 Ca -0.18 -4.66 -0.23 0.00 0.07 0.00 0.00 57.00 52.01 2k3r n GLN 82 Cb 0.53 -2.33 -0.01 0.00 2.41 0.00 0.00 30.24 30.84 2k3r n GLN 82 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2k3r s LYS 83 N -2.69 3.38 -1.58 3.69 1.02 -1.26 -4.98 119.74 117.32 2k3r s LYS 83 Ca 0.38 -0.53 -0.10 0.00 0.02 0.00 0.00 55.97 55.74 2k3r s LYS 83 Cb 0.13 -2.72 -0.06 0.00 -0.52 0.00 0.00 37.83 34.67 2k3r s LYS 83 CO 0.01 0.15 2.84 -2.13 -0.92 0.00 0.00 175.35 175.30 2k3r n ARG 84 N -1.72 3.73 -3.71 1.68 0.63 -1.26 -3.86 116.66 112.14 2k3r n ARG 84 Ca -0.05 -2.37 -0.14 0.00 -0.92 0.00 0.00 57.85 54.38 2k3r n ARG 84 Cb 0.57 -2.82 -0.14 0.00 0.45 0.00 0.00 32.46 30.52 2k3r n ARG 84 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2k3r s MET 85 N 1.90 0.14 0.37 -0.14 -1.94 -1.26 -5.15 119.30 113.22 2k3r s MET 85 Ca 0.66 0.55 -0.28 0.00 -1.71 0.00 0.00 55.69 54.91 2k3r s MET 85 Cb 0.18 -0.14 -0.11 0.00 2.01 0.00 0.00 34.83 36.77 2k3r s MET 85 CO -0.07 -0.21 1.44 -2.14 -0.01 0.00 0.00 175.02 174.03 2k3r s PRO 86 N 1.65 4.16 -0.08 2.03 0.02 -1.17 -4.80 135.00 136.80 2k3r s PRO 86 Ca -0.05 2.47 -0.12 0.00 0.02 0.00 0.00 61.00 63.32 2k3r s PRO 86 Cb -0.11 -2.98 0.03 0.00 0.02 0.00 0.00 34.50 31.45 2k3r s PRO 86 CO -0.08 -0.45 0.31 -1.01 -0.33 0.00 0.00 177.00 175.44 2k3r s HIS 87 N -1.13 -0.28 0.03 6.54 3.76 -1.20 -1.61 115.29 121.40 2k3r s HIS 87 Ca 0.52 0.63 0.05 0.00 -0.15 0.00 0.00 55.06 56.11 2k3r s HIS 87 Cb -0.45 0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.33 2k3r s HIS 87 CO 0.60 -0.25 -0.15 0.96 -0.85 0.00 0.00 174.74 175.05 2k3r s ILE 88 N -0.38 1.19 -0.09 0.60 -4.36 -0.76 -0.95 121.20 116.44 2k3r s ILE 88 Ca -0.05 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.43 2k3r s ILE 88 Cb -0.03 -1.06 -0.00 0.00 1.25 0.00 0.00 42.46 42.62 2k3r s ILE 88 CO 0.02 0.09 -0.24 0.68 0.24 0.00 0.00 174.94 175.73 2k3r s VAL 89 N -0.75 2.09 -0.09 8.37 -7.23 -0.47 -0.85 120.40 121.48 2k3r s VAL 89 Ca 0.03 -1.02 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 2k3r s VAL 89 Cb -0.08 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 2k3r s VAL 89 CO 0.01 0.56 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.45 2k3r s VAL 90 N 0.26 1.92 -0.02 1.32 1.01 0.12 -1.60 120.40 123.42 2k3r s VAL 90 Ca -0.16 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 60.92 2k3r s VAL 90 Cb -0.17 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2k3r s VAL 90 CO 0.08 0.53 -0.19 -1.59 0.00 0.00 0.00 175.10 173.93 2k3r s LYS 91 N 0.27 1.55 -0.08 2.72 0.00 -0.30 0.99 119.74 124.88 2k3r s LYS 91 Ca -0.15 -0.67 0.03 0.00 0.00 0.00 0.00 55.97 55.18 2k3r s LYS 91 Cb -0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 37.83 36.17 2k3r s LYS 91 CO 0.07 0.39 -0.17 0.00 0.00 0.00 0.00 175.35 175.65 2k3r h LEU 93 N 6.08 0.92 -0.42 0.00 3.38 -0.76 1.01 115.31 125.52 2k3r h LEU 93 Ca -0.34 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 2k3r h LEU 93 Cb 1.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2k3r h LEU 93 CO 0.52 0.84 -0.00 -0.33 0.09 0.00 0.00 178.44 179.55 2k3r h GLU 94 N 0.94 0.75 0.04 1.13 4.39 -1.93 -2.60 114.58 117.31 2k3r h GLU 94 Ca 0.22 -0.24 -0.23 0.00 0.34 0.00 0.00 59.36 59.45 2k3r h GLU 94 Cb 0.20 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k3r h GLU 94 CO -0.02 0.83 -1.02 0.00 -1.16 0.00 0.00 179.01 177.64 2k3r n GLY 96 N 1.16 0.45 3.36 0.00 0.00 0.35 -5.02 105.19 105.48 2k3r n GLY 96 Ca -0.05 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 2.22 -0.22 1.61 3.76 -1.12 -4.87 115.29 114.66 2k3r s HIS 97 Ca 0.00 -0.39 -0.09 0.00 -0.15 0.00 0.00 55.06 54.42 2k3r s HIS 97 Cb 0.00 -1.24 -0.05 0.00 1.11 0.00 0.00 32.58 32.41 2k3r s HIS 97 CO 0.00 0.26 0.12 -1.50 -0.85 0.00 0.00 174.74 172.77 2k3r s ILE 98 N -1.00 5.16 -0.14 0.60 1.10 -1.26 -1.37 121.20 124.28 2k3r s ILE 98 Ca 0.12 0.10 0.02 0.00 -0.51 0.00 0.00 60.65 60.38 2k3r s ILE 98 Cb -0.10 -3.37 0.00 0.00 0.15 0.00 0.00 42.46 39.14 2k3r s ILE 98 CO 0.05 0.40 -0.20 -0.32 -2.11 0.00 0.00 174.94 172.75 2k3r s MET 99 N 0.76 3.10 -0.11 3.50 -2.45 0.28 -4.96 119.30 119.42 2k3r s MET 99 Ca 0.06 -0.82 -0.15 0.00 -1.25 0.00 0.00 55.69 53.54 2k3r s MET 99 Cb -0.13 -2.49 -0.05 0.00 1.25 0.00 0.00 34.83 33.42 2k3r s MET 99 CO 0.02 0.02 0.36 0.50 1.05 0.00 0.00 175.02 176.97 2k3r s ARG 100 N 0.75 4.15 -0.36 4.11 3.52 -1.26 0.16 118.95 130.03 2k3r s ARG 100 Ca -0.08 0.26 0.02 0.00 -0.13 0.00 0.00 55.73 55.80 2k3r s ARG 100 Cb -0.16 -3.36 0.10 0.00 -1.56 0.00 0.00 34.95 29.97 2k3r s ARG 100 CO 0.00 0.36 0.09 -0.47 -0.81 0.00 0.00 175.30 174.47 2k3r s TYR 101 N 0.04 3.73 0.46 5.12 6.14 -0.03 -4.98 117.35 127.83 2k3r s TYR 101 Ca 0.21 -2.88 -0.25 0.00 0.64 0.00 0.00 57.07 54.80 2k3r s TYR 101 Cb -0.14 -3.00 -0.08 0.00 0.42 0.00 0.00 41.96 39.16 2k3r s TYR 101 CO 0.08 -0.95 1.37 -2.14 0.64 0.00 0.00 175.55 174.55 2k3r s PRO 102 N 0.95 3.64 -0.06 4.97 0.02 -1.26 -1.83 135.00 141.43 2k3r s PRO 102 Ca 0.10 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.41 2k3r s PRO 102 Cb -0.20 -2.58 0.03 0.00 0.02 0.00 0.00 34.50 31.76 2k3r s PRO 102 CO -0.07 -0.81 -0.00 -0.47 -0.33 0.00 0.00 177.00 175.31 2k3r s TYR 103 N -1.25 0.60 -0.08 6.54 5.04 -0.63 -4.92 117.35 122.64 2k3r s TYR 103 Ca 0.62 -0.13 0.03 0.00 -2.44 0.00 0.00 57.07 55.16 2k3r s TYR 103 Cb -0.41 -0.70 0.01 0.00 0.35 0.00 0.00 41.96 41.20 2k3r s TYR 103 CO 0.52 -0.27 -0.19 0.42 -1.34 0.00 0.00 175.55 174.69 2k3r s ILE 104 N 1.65 1.66 -2.01 3.14 1.01 -1.26 -3.07 121.20 122.32 2k3r s ILE 104 Ca -0.00 -0.79 0.32 0.00 0.00 0.00 0.00 60.65 60.18 2k3r s ILE 104 Cb -0.13 -1.45 0.90 0.00 0.01 0.00 0.00 42.46 41.79 2k3r s ILE 104 CO -0.04 0.47 2.22 0.29 0.00 0.00 0.00 174.94 177.89