#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 0.38 -0.64 1.64 4.81 -2.04 -2.38 114.58 116.35 2k3r h GLU 16 Ca 0.00 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2k3r h GLU 16 Cb 0.00 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2k3r h GLU 16 CO 0.00 0.58 0.42 -0.09 -0.73 0.00 0.00 179.01 179.19 2k3r h ARG 17 N 0.34 0.83 -0.48 1.92 2.43 -2.04 0.86 114.38 118.24 2k3r h ARG 17 Ca 0.06 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2k3r h ARG 17 Cb 0.57 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2k3r h ARG 17 CO 0.04 0.55 0.19 0.82 -1.51 0.00 0.00 179.97 180.06 2k3r h ILE 18 N 0.85 1.21 -0.81 1.20 1.08 -1.87 -2.20 117.51 116.98 2k3r h ILE 18 Ca 0.24 -0.65 -0.04 0.00 -0.39 0.00 0.00 64.86 64.01 2k3r h ILE 18 Cb -0.08 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.37 2k3r h ILE 18 CO -0.06 0.25 0.33 0.44 -0.69 0.00 0.00 178.15 178.42 2k3r h ASP 19 N 0.64 1.11 -0.42 1.72 3.32 -0.97 0.59 116.42 122.42 2k3r h ASP 19 Ca 0.16 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2k3r h ASP 19 Cb 0.20 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2k3r h ASP 19 CO -0.01 0.97 0.18 0.40 -1.72 0.00 0.00 179.24 179.06 2k3r h ILE 20 N 1.18 1.19 -0.68 0.35 2.04 -0.83 -1.21 117.51 119.54 2k3r h ILE 20 Ca 0.27 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2k3r h ILE 20 Cb 0.20 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2k3r h ILE 20 CO -0.02 0.22 0.35 0.25 0.00 0.00 0.00 178.15 178.94 2k3r h LEU 21 N 0.54 0.87 -0.44 1.44 7.12 -0.99 -2.67 115.31 121.17 2k3r h LEU 21 Ca 0.14 -0.11 0.01 0.00 0.13 0.00 0.00 57.88 58.04 2k3r h LEU 21 Cb 0.17 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.06 2k3r h LEU 21 CO -0.01 0.73 0.29 0.15 -0.13 0.00 0.00 178.44 179.47 2k3r h PHE 22 N 0.93 0.55 -0.67 1.25 3.57 0.49 0.27 116.94 123.33 2k3r h PHE 22 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2k3r h PHE 22 Cb 0.08 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2k3r h PHE 22 CO -0.00 0.34 0.43 0.77 -2.23 0.00 0.00 178.31 177.62 2k3r h SER 23 N 0.59 0.79 -0.68 0.41 0.02 -1.11 0.11 113.55 113.67 2k3r h SER 23 Ca 0.16 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2k3r h SER 23 Cb -0.06 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 2k3r h SER 23 CO -0.04 0.59 0.30 -0.07 -1.14 0.00 0.00 176.83 176.46 2k3r h LEU 24 N 0.91 0.92 -0.80 5.07 3.38 -0.78 -2.80 115.31 121.22 2k3r h LEU 24 Ca 0.24 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 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 0.82 0.19 0.00 0.09 0.00 0.00 178.44 179.50 2k3r h ALA 25 N 1.13 1.02 -0.33 1.53 0.00 -0.13 -1.78 119.26 120.71 2k3r h ALA 25 Ca 0.23 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k3r h ALA 25 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2k3r h ALA 25 CO -0.02 0.65 -0.10 1.49 0.00 0.00 0.00 179.25 181.26 2k3r h GLU 26 N 1.05 0.65 -0.41 0.00 4.81 -0.72 -2.01 114.58 117.94 2k3r h GLU 26 Ca 0.22 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2k3r h GLU 26 Cb 0.33 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2k3r h GLU 26 CO -0.00 0.83 0.11 0.00 -0.73 0.00 0.00 179.01 179.22 2k3r h ARG 27 N 0.42 0.65 -0.26 1.92 3.08 -1.31 -3.29 114.38 115.59 2k3r h ARG 27 Ca 0.08 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2k3r h ARG 27 Cb 0.61 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2k3r h ARG 27 CO 0.04 0.66 -0.17 -0.24 -1.07 0.00 0.00 179.97 179.19 2k3r h VAL 28 N 0.52 1.24 0.45 2.04 3.04 -1.39 -3.25 116.25 118.89 2k3r h VAL 28 Ca 0.13 -1.07 -0.01 0.00 -1.01 0.00 0.00 66.70 64.74 2k3r h VAL 28 Cb 0.29 1.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 2k3r h VAL 28 CO -0.00 0.34 -0.48 0.15 -1.01 0.00 0.00 177.57 176.57 2k3r h PHE 29 N 0.41 -1.32 -0.17 3.17 3.57 -1.42 0.33 116.94 121.50 2k3r h PHE 29 Ca 0.07 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2k3r h PHE 29 Cb 0.53 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2k3r h PHE 29 CO 0.02 -0.64 0.01 -1.00 -2.23 0.00 0.00 178.31 174.47 2k3r h PRO 30 N -0.94 0.25 -0.40 6.41 0.13 -1.70 -2.81 132.00 132.94 2k3r h PRO 30 Ca -0.05 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2k3r h PRO 30 Cb 0.83 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 2k3r h PRO 30 CO -0.08 0.26 0.15 1.88 -0.23 0.00 0.00 178.00 179.98 2k3r h TYR 31 N 0.25 0.62 -1.33 1.56 0.05 -1.19 -3.45 116.97 113.49 2k3r h TYR 31 Ca 0.06 -0.05 0.13 0.00 0.05 0.00 0.00 58.73 58.92 2k3r h TYR 31 Cb 0.15 -0.19 -0.22 0.00 1.01 0.00 0.00 36.73 37.49 2k3r h TYR 31 CO 0.00 0.56 0.00 -1.12 -1.05 0.00 0.00 178.16 176.55 2k3r s SER 32 N -5.88 -0.92 0.43 3.88 0.01 0.10 -5.02 113.70 106.30 2k3r s SER 32 Ca -0.13 1.07 0.13 0.00 1.31 0.00 0.00 55.95 58.32 2k3r s SER 32 Cb 0.10 1.97 0.99 0.00 0.21 0.00 0.00 66.02 69.29 2k3r s SER 32 CO 0.76 -0.17 1.99 -0.65 0.41 0.00 0.00 173.24 175.57 2k3r h PRO 33 N 7.82 0.43 -0.40 12.44 0.11 -1.72 -2.01 132.00 148.66 2k3r h PRO 33 Ca -0.17 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.86 2k3r h PRO 33 Cb 1.12 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2k3r h PRO 33 CO 0.10 0.29 0.07 0.93 -0.21 0.00 0.00 178.00 179.18 2k3r h GLU 34 N 0.45 0.66 -0.61 1.05 5.08 -1.93 0.96 114.58 120.25 2k3r h GLU 34 Ca 0.26 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2k3r h GLU 34 Cb 0.45 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2k3r h GLU 34 CO -0.07 0.71 0.22 -0.07 -1.00 0.00 0.00 179.01 178.79 2k3r h LEU 35 N 0.52 0.87 -1.20 1.33 3.38 -1.79 -3.07 115.31 115.35 2k3r h LEU 35 Ca 0.12 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2k3r h LEU 35 Cb 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2k3r h LEU 35 CO 0.01 0.82 0.04 0.00 0.09 0.00 0.00 178.44 179.40 2k3r h ALA 36 N 1.08 1.35 -0.23 1.53 0.00 -0.63 -2.73 119.26 119.62 2k3r h ALA 36 Ca 0.20 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2k3r h ALA 36 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k3r h ALA 36 CO -0.01 0.45 0.13 -0.22 0.00 0.00 0.00 179.25 179.60 2k3r h LYS 37 N 0.57 0.26 -0.46 0.00 1.63 0.10 -1.44 116.57 117.23 2k3r h LYS 37 Ca 0.13 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.83 2k3r h LYS 37 Cb 0.30 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 2k3r h LYS 37 CO 0.01 0.17 -0.02 0.00 -3.45 0.00 0.00 179.45 176.16 2k3r h ARG 38 N 0.27 0.84 -0.37 1.90 3.08 -1.48 -2.58 114.38 116.04 2k3r h ARG 38 Ca 0.09 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2k3r h ARG 38 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2k3r h ARG 38 CO -0.05 0.90 0.18 1.88 -1.07 0.00 0.00 179.97 181.81 2k3r h TYR 39 N 0.68 0.54 -0.42 3.04 0.05 -1.40 -1.95 116.97 117.51 2k3r h TYR 39 Ca 0.13 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 2k3r h TYR 39 Cb 0.54 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 2k3r h TYR 39 CO 0.04 0.45 0.07 0.28 -1.05 0.00 0.00 178.16 177.95 2k3r h VAL 40 N 0.47 1.24 -0.28 -2.88 2.07 -1.26 -1.92 116.25 113.68 2k3r h VAL 40 Ca 0.13 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 2k3r h VAL 40 Cb 0.11 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2k3r h VAL 40 CO -0.02 0.30 0.10 -0.33 0.02 0.00 0.00 177.57 177.64 2k3r h GLU 41 N 0.54 0.40 -0.67 1.57 5.08 -1.26 0.84 114.58 121.08 2k3r h GLU 41 Ca 0.13 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2k3r h GLU 41 Cb 0.37 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2k3r h GLU 41 CO 0.01 0.35 0.39 1.25 -1.00 0.00 0.00 179.01 180.01 2k3r h LEU 42 N 0.40 0.82 -0.78 1.33 5.85 -1.38 -2.01 115.31 119.54 2k3r h LEU 42 Ca 0.10 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2k3r h LEU 42 Cb 0.11 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2k3r h LEU 42 CO -0.01 0.65 0.21 0.00 -0.34 0.00 0.00 178.44 178.96 2k3r h ALA 43 N 1.20 1.00 -0.62 1.25 0.00 0.14 0.27 119.26 122.50 2k3r h ALA 43 Ca 0.24 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k3r h ALA 43 Cb -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2k3r h ALA 43 CO -0.04 0.66 0.22 -0.07 0.00 0.00 0.00 179.25 180.02 2k3r h LEU 44 N 1.09 0.89 -0.65 0.00 -0.00 -0.40 0.45 115.31 116.68 2k3r h LEU 44 Ca 0.23 -0.19 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 2k3r h LEU 44 Cb 0.32 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 2k3r h LEU 44 CO -0.01 0.84 0.26 0.25 -0.00 0.00 0.00 178.44 179.79 2k3r h LEU 45 N 0.88 0.90 -0.43 1.67 5.85 -0.80 -2.32 115.31 121.06 2k3r h LEU 45 Ca 0.20 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2k3r h LEU 45 Cb 0.26 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2k3r h LEU 45 CO -0.01 0.83 0.21 0.58 -0.34 0.00 0.00 178.44 179.71 2k3r h VAL 46 N 0.92 1.18 -0.62 1.05 2.07 -0.29 -3.10 116.25 117.47 2k3r h VAL 46 Ca 0.22 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2k3r h VAL 46 Cb 0.21 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2k3r h VAL 46 CO -0.02 0.19 0.21 -0.61 0.02 0.00 0.00 177.57 177.36 2k3r h GLN 47 N 0.56 0.95 -0.37 1.57 4.15 0.43 0.62 115.11 123.01 2k3r h GLN 47 Ca 0.15 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 2k3r h GLN 47 Cb 0.12 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2k3r h GLN 47 CO -0.02 0.83 0.05 -0.56 -1.93 0.00 0.00 178.83 177.20 2k3r h GLN 48 N 0.87 0.62 -0.51 1.69 3.07 -1.56 0.36 115.11 119.65 2k3r h GLN 48 Ca 0.20 -0.17 -0.04 0.00 0.09 0.00 0.00 58.65 58.73 2k3r h GLN 48 Cb 0.27 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.74 2k3r h GLN 48 CO -0.01 0.69 0.16 0.87 0.09 0.00 0.00 178.83 180.64 2k3r h LYS 49 N 0.46 0.80 0.00 0.06 1.57 -1.41 -1.85 116.57 116.19 2k3r h LYS 49 Ca 0.11 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2k3r h LYS 49 Cb 0.38 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2k3r h LYS 49 CO 0.01 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.63 2k3r n ALA 50 N -2.37 1.98 -3.78 3.86 0.00 0.21 -4.95 120.51 115.47 2k3r n ALA 50 Ca 0.02 -0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 2k3r n ALA 50 Cb 0.20 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.02 -3.95 -4.37 0.00 4.81 0.12 -4.91 118.16 107.83 2k3r n LYS 51 Ca 0.04 0.53 -0.34 0.00 -0.87 0.00 0.00 58.31 57.68 2k3r n LYS 51 Cb 0.31 -4.86 -0.12 0.00 0.02 0.00 0.00 35.03 30.38 2k3r n LYS 51 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2k3r s VAL 52 N -3.75 3.93 -0.26 3.15 1.01 -0.82 -5.03 120.40 118.62 2k3r s VAL 52 Ca 0.05 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 2k3r s VAL 52 Cb -0.02 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 2k3r s VAL 52 CO 0.84 0.49 0.19 -0.75 0.00 0.00 0.00 175.10 175.87 2k3r s LYS 53 N 0.38 4.02 -0.24 2.72 2.20 -1.26 -4.89 119.74 122.68 2k3r s LYS 53 Ca -0.04 -0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.28 2k3r s LYS 53 Cb -0.14 -3.59 0.09 0.00 -1.51 0.00 0.00 37.83 32.68 2k3r s LYS 53 CO 0.03 -0.05 0.16 0.96 -0.36 0.00 0.00 175.35 176.08 2k3r s ILE 54 N 1.39 -0.17 0.11 5.43 -4.36 -1.26 -5.01 121.20 117.33 2k3r s ILE 54 Ca 0.08 -0.41 0.34 0.00 -0.26 0.00 0.00 60.65 60.39 2k3r s ILE 54 Cb -0.15 -0.80 0.37 0.00 1.25 0.00 0.00 42.46 43.14 2k3r s ILE 54 CO 0.07 -0.45 2.00 1.55 0.24 0.00 0.00 174.94 178.35 2k3r h PRO 55 N 8.37 0.00 0.00 0.37 0.13 -1.99 -3.35 132.00 135.53 2k3r h PRO 55 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2k3r h PRO 55 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2k3r h PRO 55 CO 0.35 0.00 -0.98 0.54 -0.23 0.00 0.00 178.00 177.68 2k3r n ARG 56 N -2.89 0.00 -0.14 0.86 1.74 -1.26 -4.01 116.66 110.96 2k3r n ARG 56 Ca -0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 2k3r n ARG 56 Cb 0.22 -0.76 -0.00 0.00 -1.02 0.00 0.00 32.46 30.90 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 0.63 0.00 5.56 1.57 -1.98 -2.89 116.57 119.46 2k3r h LYS 57 Ca 0.00 -0.12 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 2k3r h LYS 57 Cb 0.98 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.15 2k3r h LYS 57 CO 0.00 0.59 -1.78 0.91 -0.57 0.00 0.00 179.45 178.60 2k3r n TRP 58 N -4.62 0.00 -0.24 -1.35 7.02 -1.26 -4.43 117.44 112.56 2k3r n TRP 58 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 2k3r n TRP 58 Cb 0.15 -0.55 0.04 0.00 -2.42 0.00 0.00 31.31 28.53 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 1.01 -0.01 -0.99 1.79 -1.69 -1.05 116.57 115.63 2k3r h LYS 59 Ca -0.31 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2k3r h LYS 59 Cb 1.66 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 2k3r h LYS 59 CO 0.01 0.88 -0.32 0.54 -1.08 0.00 0.00 179.45 179.48 2k3r n ARG 60 N -4.36 0.95 -2.12 3.15 5.12 -1.09 -4.52 116.66 113.79 2k3r n ARG 60 Ca 0.04 -0.64 -0.23 0.00 -1.93 0.00 0.00 57.85 55.09 2k3r n ARG 60 Cb 0.21 -1.49 0.02 0.00 -1.16 0.00 0.00 32.46 30.04 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 -0.47 3.50 -3.89 5.56 1.74 -0.41 -4.91 116.66 117.78 2k3r n ARG 61 Ca 0.11 -4.19 -0.09 0.00 -0.77 0.00 0.00 57.85 52.92 2k3r n ARG 61 Cb 0.38 -2.24 -0.07 0.00 -1.02 0.00 0.00 32.46 29.51 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 -3.60 0.22 0.32 -1.55 1.13 -1.11 -0.16 117.35 112.61 2k3r s TYR 62 Ca 0.49 -0.64 -0.16 0.00 -1.41 0.00 0.00 57.07 55.35 2k3r s TYR 62 Cb 0.41 -0.08 -0.09 0.00 -1.10 0.00 0.00 41.96 41.10 2k3r s TYR 62 CO 0.00 -0.57 0.76 0.00 -2.51 0.00 0.00 175.55 173.24 2k3r h LYS 64 N 2.36 1.20 0.00 0.00 1.57 -2.00 -2.09 116.57 117.62 2k3r h LYS 64 Ca -0.48 -0.21 -0.30 0.00 -1.87 0.00 0.00 60.65 57.79 2k3r h LYS 64 Cb 1.18 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 33.23 2k3r h LYS 64 CO 0.65 0.96 -2.14 1.17 -0.57 0.00 0.00 179.45 179.51 2k3r n LYS 65 N -4.29 1.26 -0.08 3.15 4.81 -1.26 -4.63 118.16 117.11 2k3r n LYS 65 Ca 0.08 -0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.43 2k3r n LYS 65 Cb 0.17 -1.43 0.09 0.00 0.02 0.00 0.00 35.03 33.88 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 -4.11 -1.86 -4.27 0.00 8.25 -0.79 -4.80 115.22 107.64 2k3r n HIS 67 Ca -0.00 0.57 -0.17 0.00 -0.26 0.00 0.00 57.72 57.87 2k3r n HIS 67 Cb 0.44 -3.97 -0.10 0.00 1.12 0.00 0.00 29.99 27.48 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 -3.13 1.60 0.23 -1.41 0.00 -1.26 -3.75 121.76 114.03 2k3r s ALA 68 Ca 0.33 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.52 2k3r s ALA 68 Cb -0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 23.12 22.83 2k3r s ALA 68 CO 0.41 0.01 1.66 0.12 0.00 0.00 0.00 175.76 177.96 2k3r s PHE 69 N -2.81 2.89 -0.47 0.00 2.19 -1.26 -1.56 117.98 116.97 2k3r s PHE 69 Ca 0.15 0.53 -0.13 0.00 0.33 0.00 0.00 56.93 57.81 2k3r s PHE 69 Cb -0.01 -4.08 0.10 0.00 -1.31 0.00 0.00 43.02 37.72 2k3r s PHE 69 CO 0.03 -3.94 0.37 -1.17 1.83 0.00 0.00 175.22 172.34 2k3r s LEU 70 N 0.65 5.64 -0.03 6.12 1.98 0.78 -4.64 118.68 129.18 2k3r s LEU 70 Ca 0.70 -1.60 0.01 0.00 -2.89 0.00 0.00 54.13 50.35 2k3r s LEU 70 Cb -0.48 -2.10 0.02 0.00 0.66 0.00 0.00 46.19 44.29 2k3r s LEU 70 CO 0.37 -0.68 -0.03 -0.69 -1.89 0.00 0.00 176.35 173.44 2k3r s VAL 71 N 1.51 0.34 0.47 1.68 1.01 -1.26 -4.72 120.40 119.43 2k3r s VAL 71 Ca 0.04 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 2k3r s VAL 71 Cb -0.26 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.67 2k3r s VAL 71 CO 0.03 0.16 1.38 -2.84 0.00 0.00 0.00 175.10 173.83 2k3r s PRO 72 N 0.73 3.61 0.00 2.72 0.02 -1.26 -3.34 135.00 137.48 2k3r s PRO 72 Ca -0.08 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2k3r s PRO 72 Cb -0.11 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.83 2k3r s PRO 72 CO -0.01 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 2k3r n GLY 73 N 0.62 2.73 0.15 0.52 0.00 0.46 -4.92 105.19 104.74 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 1.06 -0.61 5.41 -1.21 -4.80 119.36 117.21 2k3r n ILE 74 Ca 0.00 0.19 0.11 0.00 1.00 0.00 0.00 62.75 64.05 2k3r n ILE 74 Cb 0.00 -1.12 0.09 0.00 -0.71 0.00 0.00 39.64 37.90 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 -1.95 1.43 -3.54 4.38 6.94 -1.26 -4.80 115.26 116.45 2k3r n ASN 75 Ca 0.00 -1.13 -0.17 0.00 -0.02 0.00 0.00 54.58 53.25 2k3r n ASN 75 Cb 0.00 0.48 -0.06 0.00 -2.36 0.00 0.00 39.78 37.84 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 -2.64 -1.65 0.01 -2.53 0.00 -1.26 -0.50 121.76 113.19 2k3r s ALA 76 Ca 0.17 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.32 2k3r s ALA 76 Cb 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 2k3r s ALA 76 CO 0.63 -0.38 -0.11 0.50 0.00 0.00 0.00 175.76 176.40 2k3r s ARG 77 N -1.37 0.84 -0.08 0.00 3.52 -0.21 0.17 118.95 121.83 2k3r s ARG 77 Ca -0.10 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.04 2k3r s ARG 77 Cb -0.01 -0.81 0.00 0.00 -1.56 0.00 0.00 34.95 32.57 2k3r s ARG 77 CO 0.08 0.21 -0.20 0.54 -0.81 0.00 0.00 175.30 175.13 2k3r s VAL 78 N -0.48 1.69 -0.15 7.11 0.11 -1.26 -2.10 120.40 125.33 2k3r s VAL 78 Ca 0.02 -0.82 -0.08 0.00 -2.93 0.00 0.00 61.98 58.18 2k3r s VAL 78 Cb -0.05 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 2k3r s VAL 78 CO 0.00 0.48 0.13 -0.13 -3.33 0.00 0.00 175.10 172.25 2k3r s ARG 79 N 0.34 3.72 -0.23 1.54 0.52 -0.83 -4.95 118.95 119.05 2k3r s ARG 79 Ca -0.14 -0.17 -0.06 0.00 -0.52 0.00 0.00 55.73 54.84 2k3r s ARG 79 Cb -0.16 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 2k3r s ARG 79 CO 0.06 0.60 0.04 -0.51 0.02 0.00 0.00 175.30 175.50 2k3r s LEU 80 N -0.50 3.37 -0.13 2.53 1.02 -1.26 -1.56 118.68 122.15 2k3r s LEU 80 Ca 0.12 -0.20 -0.04 0.00 0.02 0.00 0.00 54.13 54.04 2k3r s LEU 80 Cb -0.12 -1.88 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 2k3r s LEU 80 CO 0.02 0.01 0.02 -0.13 0.02 0.00 0.00 176.35 176.29 2k3r s ARG 81 N 1.31 3.40 -0.39 1.70 0.52 0.06 -5.02 118.95 120.53 2k3r s ARG 81 Ca 0.05 -0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 54.83 2k3r s ARG 81 Cb -0.15 -2.95 0.10 0.00 0.52 0.00 0.00 34.95 32.47 2k3r s ARG 81 CO 0.02 0.51 0.18 -0.65 0.02 0.00 0.00 175.30 175.38 2k3r s GLN 82 N -0.34 2.14 0.20 3.54 -0.21 -1.26 -3.40 119.66 120.33 2k3r s GLN 82 Ca 0.07 -1.69 0.02 0.00 0.02 0.00 0.00 55.36 53.78 2k3r s GLN 82 Cb -0.12 -3.54 -0.05 0.00 1.00 0.00 0.00 33.01 30.30 2k3r s GLN 82 CO 0.02 -0.99 0.02 0.15 -2.12 0.00 0.00 175.29 172.38 2k3r s LYS 83 N 1.19 1.22 -1.22 2.91 1.02 -1.26 -5.00 119.74 118.60 2k3r s LYS 83 Ca 0.06 -1.61 -0.08 0.00 0.02 0.00 0.00 55.97 54.35 2k3r s LYS 83 Cb -0.22 -0.32 -0.08 0.00 -0.52 0.00 0.00 37.83 36.68 2k3r s LYS 83 CO -0.03 -0.17 2.99 0.54 -0.92 0.00 0.00 175.35 177.76 2k3r n ARG 84 N -0.33 3.48 -3.56 1.68 1.74 -1.26 -4.06 116.66 114.36 2k3r n ARG 84 Ca -0.05 -2.19 -0.13 0.00 -0.77 0.00 0.00 57.85 54.72 2k3r n ARG 84 Cb 0.64 -2.59 -0.11 0.00 -1.02 0.00 0.00 32.46 29.37 2k3r n ARG 84 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2k3r s MET 85 N 1.23 0.23 0.35 5.56 -1.94 -1.26 -5.14 119.30 118.33 2k3r s MET 85 Ca 0.66 0.64 -0.29 0.00 -1.71 0.00 0.00 55.69 55.00 2k3r s MET 85 Cb 0.22 -0.31 -0.11 0.00 2.01 0.00 0.00 34.83 36.64 2k3r s MET 85 CO -0.06 -0.44 1.46 -2.14 -0.01 0.00 0.00 175.02 173.84 2k3r s PRO 86 N 2.46 4.17 -0.07 2.03 0.02 -1.16 -4.84 135.00 137.61 2k3r s PRO 86 Ca 0.05 2.49 -0.07 0.00 0.02 0.00 0.00 61.00 63.49 2k3r s PRO 86 Cb -0.14 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 31.40 2k3r s PRO 86 CO -0.12 -0.47 0.19 -1.01 -0.33 0.00 0.00 177.00 175.26 2k3r s HIS 87 N -0.93 -0.19 0.03 6.54 3.76 -1.22 -1.00 115.29 122.29 2k3r s HIS 87 Ca 0.54 0.47 0.05 0.00 -0.15 0.00 0.00 55.06 55.96 2k3r s HIS 87 Cb -0.45 0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.28 2k3r s HIS 87 CO 0.58 -0.12 -0.14 0.96 -0.85 0.00 0.00 174.74 175.17 2k3r s ILE 88 N -0.03 1.09 -0.09 0.60 -4.36 -0.49 -0.76 121.20 117.15 2k3r s ILE 88 Ca -0.01 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.47 2k3r s ILE 88 Cb -0.02 -0.98 -0.00 0.00 1.25 0.00 0.00 42.46 42.71 2k3r s ILE 88 CO 0.00 0.03 -0.23 0.68 0.24 0.00 0.00 174.94 175.66 2k3r s VAL 89 N -0.80 2.14 -0.09 8.37 -7.23 -0.60 -0.30 120.40 121.89 2k3r s VAL 89 Ca 0.02 -1.00 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 2k3r s VAL 89 Cb -0.08 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.05 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 0.23 1.89 -0.02 1.32 1.01 0.25 -1.97 120.40 123.11 2k3r s VAL 90 Ca -0.15 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 60.93 2k3r s VAL 90 Cb -0.17 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 2k3r s VAL 90 CO 0.08 0.52 -0.09 -1.59 0.00 0.00 0.00 175.10 174.02 2k3r s LYS 91 N 0.31 0.87 -0.09 2.72 0.00 -0.89 0.99 119.74 123.64 2k3r s LYS 91 Ca -0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 55.97 55.49 2k3r s LYS 91 Cb -0.17 -0.82 -0.03 0.00 0.00 0.00 0.00 37.83 36.81 2k3r s LYS 91 CO 0.07 0.16 -0.05 0.00 0.00 0.00 0.00 175.35 175.53 2k3r h LEU 93 N 5.61 0.99 -0.46 0.00 3.38 -1.12 1.16 115.31 124.86 2k3r h LEU 93 Ca -0.44 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 2k3r h LEU 93 Cb 1.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2k3r h LEU 93 CO 0.55 0.90 0.00 -0.33 0.09 0.00 0.00 178.44 179.66 2k3r h GLU 94 N 1.03 0.82 0.00 1.13 4.39 -1.95 -2.96 114.58 117.04 2k3r h GLU 94 Ca 0.24 -0.26 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 2k3r h GLU 94 Cb 0.22 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k3r h GLU 94 CO -0.02 0.87 -0.87 0.00 -1.16 0.00 0.00 179.01 177.83 2k3r n GLY 96 N 0.88 0.47 3.37 0.00 0.00 0.40 -5.00 105.19 105.30 2k3r n GLY 96 Ca -0.03 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.97 2.24 -0.12 1.61 3.76 -1.11 -4.90 115.29 114.79 2k3r s HIS 97 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2k3r s HIS 97 Cb 0.00 -1.24 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 2k3r s HIS 97 CO 0.00 0.28 -0.12 -1.50 -0.85 0.00 0.00 174.74 172.54 2k3r s ILE 98 N -1.02 3.13 0.06 0.60 1.10 -1.26 -1.81 121.20 122.01 2k3r s ILE 98 Ca 0.13 -0.64 0.09 0.00 -0.51 0.00 0.00 60.65 59.71 2k3r s ILE 98 Cb -0.10 -2.31 -0.03 0.00 0.15 0.00 0.00 42.46 40.17 2k3r s ILE 98 CO 0.05 0.53 -0.22 -0.04 -2.11 0.00 0.00 174.94 173.15 2k3r s MET 99 N 0.18 1.85 -0.18 3.50 -1.94 0.28 -4.96 119.30 118.03 2k3r s MET 99 Ca -0.07 -1.10 -0.04 0.00 -1.71 0.00 0.00 55.69 52.77 2k3r s MET 99 Cb -0.15 -2.07 -0.02 0.00 2.01 0.00 0.00 34.83 34.60 2k3r s MET 99 CO 0.05 0.51 -0.03 0.50 -0.01 0.00 0.00 175.02 176.04 2k3r s ARG 100 N -1.54 3.58 -0.37 2.03 3.52 -1.26 0.86 118.95 125.76 2k3r s ARG 100 Ca 0.14 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 2k3r s ARG 100 Cb -0.10 -2.97 0.10 0.00 -1.56 0.00 0.00 34.95 30.42 2k3r s ARG 100 CO 0.05 0.07 0.11 -0.47 -0.81 0.00 0.00 175.30 174.25 2k3r s TYR 101 N 0.80 3.70 0.45 5.12 6.14 0.59 -5.00 117.35 129.15 2k3r s TYR 101 Ca -0.01 -2.82 -0.25 0.00 0.64 0.00 0.00 57.07 54.64 2k3r s TYR 101 Cb -0.14 -3.03 -0.08 0.00 0.42 0.00 0.00 41.96 39.13 2k3r s TYR 101 CO 0.02 -0.95 1.39 -2.14 0.64 0.00 0.00 175.55 174.50 2k3r s PRO 102 N 0.95 3.69 -0.05 4.97 0.02 -1.26 -1.39 135.00 141.94 2k3r s PRO 102 Ca 0.10 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.46 2k3r s PRO 102 Cb -0.20 -2.63 0.02 0.00 0.02 0.00 0.00 34.50 31.71 2k3r s PRO 102 CO -0.07 -0.78 -0.04 -0.47 -0.33 0.00 0.00 177.00 175.31 2k3r s TYR 103 N -1.23 0.76 -0.17 6.54 5.04 -0.17 -4.94 117.35 123.18 2k3r s TYR 103 Ca 0.61 -0.21 -0.03 0.00 -2.44 0.00 0.00 57.07 55.00 2k3r s TYR 103 Cb -0.42 -0.68 -0.02 0.00 0.35 0.00 0.00 41.96 41.19 2k3r s TYR 103 CO 0.53 -0.20 -0.05 0.42 -1.34 0.00 0.00 175.55 174.91 2k3r s ILE 104 N 0.98 3.62 0.00 3.14 1.01 -1.26 -3.00 121.20 125.70 2k3r s ILE 104 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2k3r s ILE 104 Cb -0.14 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2k3r s ILE 104 CO -0.00 0.47 0.00 0.29 0.00 0.00 0.00 174.94 175.70