#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kob s ASP 62 N 0.00 6.85 0.51 0.55 -4.77 -1.26 -5.02 116.67 113.54 2kob s ASP 62 Ca 0.00 2.25 0.04 0.00 -3.30 0.00 0.00 52.55 51.54 2kob s ASP 62 Cb 0.00 -2.58 0.04 0.00 -1.09 0.00 0.00 42.92 39.29 2kob s ASP 62 CO 0.00 -0.66 0.36 -1.54 0.70 0.00 0.00 175.17 174.02 2kob n SER 63 N 4.37 2.71 -0.10 2.11 3.41 -1.26 -4.54 113.62 120.32 2kob n SER 63 Ca 0.12 -2.81 0.02 0.00 -0.26 0.00 0.00 58.87 55.94 2kob n SER 63 Cb 0.43 -0.01 0.33 0.00 -0.26 0.00 0.00 64.21 64.70 2kob n SER 63 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2kob h PHE 64 N 0.71 0.72 -0.82 7.33 3.57 -1.25 -1.41 116.94 125.78 2kob h PHE 64 Ca -0.33 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 2kob h PHE 64 Cb 1.20 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 2kob h PHE 64 CO 0.00 0.47 0.42 0.78 -2.23 0.00 0.00 178.31 177.74 2kob h GLY 65 N 0.79 1.25 0.83 2.40 0.00 -1.50 0.34 103.07 107.19 2kob h GLY 65 Ca 0.21 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2kob h GLY 65 CO -0.04 0.57 -0.08 -0.55 0.00 0.00 0.00 176.54 176.43 2kob h ASP 66 N 1.16 -0.20 -0.12 0.19 5.19 -1.56 -0.90 116.42 120.18 2kob h ASP 66 Ca 0.29 -0.13 -0.10 0.00 -0.62 0.00 0.00 57.03 56.47 2kob h ASP 66 Cb 0.08 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2kob h ASP 66 CO -0.04 0.01 -0.23 -0.50 -3.12 0.00 0.00 179.24 175.36 2kob h TRP 67 N -0.41 0.62 0.11 4.55 4.06 -1.15 -0.37 115.95 123.36 2kob h TRP 67 Ca -0.02 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 2kob h TRP 67 Cb 0.32 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 2kob h TRP 67 CO -0.02 0.74 -0.05 0.00 -3.56 0.00 0.00 178.44 175.55 2kob h ALA 68 N 1.26 -0.14 -0.73 1.49 0.00 -0.26 0.25 119.26 121.13 2kob h ALA 68 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kob h ALA 68 Cb 0.66 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2kob h ALA 68 CO 0.05 -0.55 0.40 1.49 0.00 0.00 0.00 179.25 180.64 2kob h GLU 69 N -0.20 1.01 -0.25 0.00 4.57 -0.88 0.23 114.58 119.06 2kob h GLU 69 Ca -0.01 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 2kob h GLU 69 Cb 0.16 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2kob h GLU 69 CO 0.02 0.73 -0.02 0.87 -1.18 0.00 0.00 179.01 179.44 2kob h LYS 70 N 1.01 0.45 -0.69 1.92 1.57 -0.84 -0.60 116.57 119.39 2kob h LYS 70 Ca 0.26 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2kob h LYS 70 Cb 0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2kob h LYS 70 CO -0.04 0.64 0.37 0.35 -0.57 0.00 0.00 179.45 180.20 2kob h PHE 71 N 0.22 0.96 -0.48 -1.35 3.57 0.11 0.14 116.94 120.11 2kob h PHE 71 Ca 0.07 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2kob h PHE 71 Cb 0.45 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2kob h PHE 71 CO 0.04 0.69 0.21 -0.07 -2.23 0.00 0.00 178.31 176.95 2kob h LEU 72 N 0.95 0.64 -0.87 0.59 3.38 -0.49 0.14 115.31 119.65 2kob h LEU 72 Ca 0.24 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2kob h LEU 72 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2kob h LEU 72 CO -0.04 0.62 -0.04 0.50 0.09 0.00 0.00 178.44 179.57 2kob h LYS 73 N 0.63 0.79 -0.36 1.13 1.63 -0.71 0.20 116.57 119.88 2kob h LYS 73 Ca 0.16 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 2kob h LYS 73 Cb 0.16 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2kob h LYS 73 CO -0.02 0.83 0.04 1.03 -3.45 0.00 0.00 179.45 177.88 2kob h SER 74 N 0.73 0.59 0.27 4.20 0.87 -0.36 -2.20 113.55 117.64 2kob h SER 74 Ca 0.14 -0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 2kob h SER 74 Cb 0.50 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2kob h SER 74 CO 0.03 0.71 -0.38 0.11 -0.53 0.00 0.00 176.83 176.77 2kob h LYS 75 N 0.44 0.16 -0.20 2.24 1.79 -0.40 0.28 116.57 120.88 2kob h LYS 75 Ca 0.11 -0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 2kob h LYS 75 Cb 0.38 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 2kob h LYS 75 CO 0.01 0.52 0.03 1.49 -1.08 0.00 0.00 179.45 180.42 2kob h GLU 76 N 0.13 0.10 0.00 3.15 4.81 -0.37 -2.01 114.58 120.40 2kob h GLU 76 Ca 0.01 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 2kob h GLU 76 Cb 0.73 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2kob h GLU 76 CO 0.06 0.07 -0.67 0.00 -0.73 0.00 0.00 179.01 177.73 2kob h ALA 77 N 1.15 0.81 -0.59 2.92 0.00 -1.05 -3.18 119.26 119.31 2kob h ALA 77 Ca 0.09 -0.61 0.07 0.00 0.00 0.00 0.00 54.91 54.46 2kob h ALA 77 Cb 0.09 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2kob h ALA 77 CO -0.12 0.84 0.26 0.22 0.00 0.00 0.00 179.25 180.44 2kob h ASP 78 N 0.00 0.32 0.00 0.00 3.58 -0.02 -3.46 116.42 116.84 2kob h ASP 78 Ca -0.01 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kob h ASP 78 Cb 1.25 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2kob h ASP 78 CO 0.09 0.20 0.00 0.61 -2.88 0.00 0.00 179.24 177.26 2kob n GLY 79 N -1.28 0.14 3.54 -0.78 0.00 -0.79 -5.07 105.19 100.95 2kob n GLY 79 Ca 0.07 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 2kob n GLY 79 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kob s VAL 80 N 0.00 3.01 0.69 1.61 -7.23 -1.18 -5.06 120.40 112.24 2kob s VAL 80 Ca 0.00 -1.79 -0.16 0.00 -1.81 0.00 0.00 61.98 58.22 2kob s VAL 80 Cb 0.00 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.46 2kob s VAL 80 CO 0.00 -0.15 1.18 -0.55 -0.31 0.00 0.00 175.10 175.27 2kob s SER 81 N -2.91 4.62 0.34 4.85 0.15 -1.26 -4.83 113.70 114.65 2kob s SER 81 Ca 0.25 2.25 0.01 0.00 0.70 0.00 0.00 55.95 59.16 2kob s SER 81 Cb -0.08 -2.58 0.58 0.00 -1.71 0.00 0.00 66.02 62.23 2kob s SER 81 CO 0.15 -1.97 2.00 1.62 1.20 0.00 0.00 173.24 176.23 2kob h VAL 82 N -0.02 1.18 -0.18 4.45 3.04 -2.00 0.22 116.25 122.94 2kob h VAL 82 Ca -0.48 -0.33 -0.12 0.00 -1.01 0.00 0.00 66.70 64.76 2kob h VAL 82 Cb 1.28 0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2kob h VAL 82 CO 0.52 0.17 -0.42 -1.28 -1.01 0.00 0.00 177.57 175.55 2kob h SER 83 N 0.93 0.46 -0.59 3.17 0.87 -1.98 0.93 113.55 117.33 2kob h SER 83 Ca 0.25 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 2kob h SER 83 Cb -0.11 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 2kob h SER 83 CO -0.05 0.82 0.02 -0.61 -0.53 0.00 0.00 176.83 176.48 2kob h GLN 84 N 0.36 1.03 -0.22 2.24 5.75 -1.60 -0.07 115.11 122.60 2kob h GLN 84 Ca 0.03 -0.32 -0.11 0.00 -0.15 0.00 0.00 58.65 58.11 2kob h GLN 84 Cb 0.88 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.33 2kob h GLN 84 CO 0.07 1.00 -0.29 1.25 -2.65 0.00 0.00 178.83 178.22 2kob h LEU 85 N 0.92 0.64 -0.56 -2.39 5.85 -0.74 -2.68 115.31 116.36 2kob h LEU 85 Ca 0.17 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2kob h LEU 85 Cb 0.52 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2kob h LEU 85 CO 0.03 1.01 0.35 0.78 -0.34 0.00 0.00 178.44 180.27 2kob h ASN 86 N 0.28 0.65 -0.73 1.25 2.35 -0.68 -1.69 115.58 117.01 2kob h ASN 86 Ca 0.03 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2kob h ASN 86 Cb 0.86 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.03 2kob h ASN 86 CO 0.07 0.50 0.39 0.77 -1.65 0.00 0.00 177.43 177.51 2kob h SER 87 N 0.75 0.93 -0.46 5.81 4.64 -1.01 0.16 113.55 124.37 2kob h SER 87 Ca 0.20 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2kob h SER 87 Cb -0.05 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.77 2kob h SER 87 CO -0.04 0.76 0.24 1.88 -0.87 0.00 0.00 176.83 178.80 2kob h TYR 88 N 1.04 0.45 -0.65 4.77 0.05 -1.08 -2.03 116.97 119.52 2kob h TYR 88 Ca 0.26 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.02 2kob h TYR 88 Cb 0.05 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 2kob h TYR 88 CO 0.01 0.24 0.23 0.87 -1.05 0.00 0.00 178.16 178.45 2kob h LYS 89 N 0.48 0.98 -0.25 4.88 1.57 -0.32 -1.70 116.57 122.21 2kob h LYS 89 Ca 0.20 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2kob h LYS 89 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2kob h LYS 89 CO -0.13 0.82 0.17 -0.91 -0.57 0.00 0.00 179.45 178.83 2kob h ASN 90 N 0.95 0.29 0.13 0.86 4.21 -0.18 0.32 115.58 122.16 2kob h ASN 90 Ca 0.22 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 2kob h ASN 90 Cb 0.23 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2kob h ASN 90 CO -0.01 0.21 -0.06 1.88 -1.29 0.00 0.00 177.43 178.16 2kob h TYR 91 N 0.34 -0.16 -0.01 1.19 0.05 -0.64 -2.97 116.97 114.77 2kob h TYR 91 Ca 0.09 -0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.61 2kob h TYR 91 Cb -0.04 0.05 0.02 0.00 1.01 0.00 0.00 36.73 37.77 2kob h TYR 91 CO 0.00 0.29 -1.02 0.00 -1.05 0.00 0.00 178.16 176.38 2kob h ARG 93 N 0.37 0.20 0.00 0.00 2.43 -0.52 -2.91 114.38 113.95 2kob h ARG 93 Ca -0.12 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 2kob h ARG 93 Cb 1.66 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.21 2kob h ARG 93 CO 0.20 0.63 -0.52 -0.91 -1.51 0.00 0.00 179.97 177.86 2kob h ASN 94 N -0.23 0.00 0.17 -3.80 4.21 -1.63 -3.36 115.58 110.94 2kob h ASN 94 Ca 0.01 -0.15 -0.34 0.00 1.21 0.00 0.00 56.30 57.03 2kob h ASN 94 Cb 0.60 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 2kob h ASN 94 CO 0.02 0.85 -1.75 0.45 -1.29 0.00 0.00 177.43 175.71 2kob h HIS 95 N -1.00 0.64 -0.22 1.19 3.86 -1.50 -3.31 115.15 114.81 2kob h HIS 95 Ca -0.06 -0.47 -0.03 0.00 -1.16 0.00 0.00 60.37 58.65 2kob h HIS 95 Cb 0.58 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 2kob h HIS 95 CO -0.09 1.69 0.03 1.28 0.86 0.00 0.00 177.93 181.70 2kob n LEU 96 N -3.62 2.91 -0.20 2.43 4.77 -0.17 -4.40 117.00 118.72 2kob n LEU 96 Ca -0.26 -1.48 -0.02 0.00 -0.03 0.00 0.00 56.01 54.22 2kob n LEU 96 Cb 1.04 -0.57 0.09 0.00 -2.33 0.00 0.00 43.42 41.65 2kob n LEU 96 CO 0.48 0.43 1.02 0.77 -1.33 0.00 0.00 177.39 178.76 2kob h SER 97 N 1.26 0.35 -0.86 -1.43 4.64 -1.61 0.32 113.55 116.22 2kob h SER 97 Ca 0.03 0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.45 2kob h SER 97 Cb 1.12 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 2kob h SER 97 CO 0.21 0.23 0.56 -0.65 -0.87 0.00 0.00 176.83 176.31 2kob h PRO 98 N 0.51 1.00 0.04 4.77 0.11 -1.89 -2.39 132.00 134.14 2kob h PRO 98 Ca 0.28 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 66.10 2kob h PRO 98 Cb 0.26 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 2kob h PRO 98 CO -0.23 0.66 -1.02 -0.07 -0.21 0.00 0.00 178.00 177.13 2kob h LEU 99 N 1.03 0.39 -1.95 2.35 3.38 -1.64 -3.27 115.31 115.61 2kob h LEU 99 Ca 0.35 -0.35 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2kob h LEU 99 Cb 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2kob h LEU 99 CO -0.11 1.19 0.34 0.22 0.09 0.00 0.00 178.44 180.17 2kob h TYR 100 N 0.13 0.06 -0.32 1.13 3.20 0.13 0.13 116.97 121.44 2kob h TYR 100 Ca -0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2kob h TYR 100 Cb 1.69 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.94 2kob h TYR 100 CO 0.05 0.03 0.00 -1.33 -1.64 0.00 0.00 178.16 175.27 2kob n MET 101 N -4.41 2.44 -4.11 1.82 2.81 -1.19 -1.54 117.12 112.94 2kob n MET 101 Ca 0.08 -2.20 -0.22 0.00 -1.81 0.00 0.00 57.70 53.55 2kob n MET 101 Cb 0.52 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.48 2kob n MET 101 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kob s LYS 102 N -1.54 2.76 0.50 0.03 1.02 0.44 -4.95 119.74 118.01 2kob s LYS 102 Ca 0.36 -1.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 2kob s LYS 102 Cb 0.22 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 35.05 2kob s LYS 102 CO 0.31 0.34 0.79 0.45 -0.92 0.00 0.00 175.35 176.32 2kob s SER 103 N -3.83 5.95 0.49 2.83 0.15 -1.26 -1.06 113.70 116.97 2kob s SER 103 Ca 0.34 0.70 0.16 0.00 0.70 0.00 0.00 55.95 57.85 2kob s SER 103 Cb -0.07 -1.91 1.18 0.00 -1.71 0.00 0.00 66.02 63.51 2kob s SER 103 CO 0.24 -0.75 2.09 -0.07 1.20 0.00 0.00 173.24 175.95 2kob h LEU 104 N 0.15 0.00 0.00 3.45 3.38 -1.91 -0.65 115.31 119.74 2kob h LEU 104 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2kob h LEU 104 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2kob h LEU 104 CO 0.60 0.08 -0.38 0.77 0.09 0.00 0.00 178.44 179.60 2kob h SER 105 N 0.00 0.00 0.40 -0.43 4.64 -1.95 -3.31 113.55 112.90 2kob h SER 105 Ca -0.00 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 2kob h SER 105 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 2kob h SER 105 CO 0.01 0.05 -1.73 -0.62 -0.87 0.00 0.00 176.83 173.67 2kob n GLU 106 N -2.32 0.64 -2.18 4.77 1.02 -0.34 -4.85 120.64 117.38 2kob n GLU 106 Ca 0.04 0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 2kob n GLU 106 Cb 0.46 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 2kob n GLU 106 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2kob s ILE 107 N -3.06 3.78 0.08 -3.67 1.01 -0.66 -4.95 121.20 113.73 2kob s ILE 107 Ca -0.05 0.86 -0.05 0.00 0.00 0.00 0.00 60.65 61.41 2kob s ILE 107 Cb 0.10 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2kob s ILE 107 CO 0.84 -0.38 0.33 -0.76 0.00 0.00 0.00 174.94 174.96 2kob s LEU 108 N 5.23 4.32 0.37 2.97 1.43 -1.26 -4.84 118.68 126.90 2kob s LEU 108 Ca 0.68 0.57 0.06 0.00 -1.03 0.00 0.00 54.13 54.41 2kob s LEU 108 Cb -0.22 -3.03 0.75 0.00 0.03 0.00 0.00 46.19 43.72 2kob s LEU 108 CO 0.29 0.14 1.99 1.55 0.23 0.00 0.00 176.35 180.55 2kob h PRO 109 N 3.32 0.71 -0.07 1.29 0.13 -1.95 -1.45 132.00 133.97 2kob h PRO 109 Ca -0.47 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.52 2kob h PRO 109 Cb 1.18 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2kob h PRO 109 CO 0.70 0.47 -0.40 0.00 -0.23 0.00 0.00 178.00 178.54 2kob h ALA 110 N 1.63 1.21 -0.13 -0.56 0.00 -1.94 0.99 119.26 120.46 2kob h ALA 110 Ca 0.26 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2kob h ALA 110 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kob h ALA 110 CO -0.07 0.55 -0.09 0.22 0.00 0.00 0.00 179.25 179.86 2kob h ASP 111 N 0.12 0.31 -0.76 0.00 3.58 -1.68 0.06 116.42 118.05 2kob h ASP 111 Ca 0.01 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 56.99 2kob h ASP 111 Cb 0.77 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 2kob h ASP 111 CO 0.06 0.68 0.37 0.40 -2.88 0.00 0.00 179.24 177.87 2kob h ILE 112 N -0.06 1.24 -0.77 2.25 2.04 -1.30 -2.34 117.51 118.58 2kob h ILE 112 Ca 0.03 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.27 2kob h ILE 112 Cb 0.58 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 2kob h ILE 112 CO 0.02 0.29 0.46 -0.61 0.00 0.00 0.00 178.15 178.31 2kob h GLN 113 N 1.07 0.82 -0.90 2.37 5.75 -0.62 -1.27 115.11 122.33 2kob h GLN 113 Ca 0.26 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.74 2kob h GLN 113 Cb 0.11 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 2kob h GLN 113 CO -0.03 0.54 0.59 0.77 -2.65 0.00 0.00 178.83 178.05 2kob h SER 114 N 0.84 0.99 -0.15 -0.69 0.02 -0.46 0.86 113.55 114.96 2kob h SER 114 Ca 0.34 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2kob h SER 114 Cb 0.17 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2kob h SER 114 CO -0.17 0.69 0.05 0.40 -1.14 0.00 0.00 176.83 176.66 2kob h ILE 115 N 1.16 1.18 -0.84 3.27 2.04 -0.90 -1.98 117.51 121.44 2kob h ILE 115 Ca 0.35 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.65 2kob h ILE 115 Cb -0.04 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2kob h ILE 115 CO -0.09 0.17 0.55 0.40 0.00 0.00 0.00 178.15 179.18 2kob h ILE 116 N 0.06 1.21 -0.57 -0.67 1.08 -0.59 -1.97 117.51 116.06 2kob h ILE 116 Ca 0.05 -0.39 -0.09 0.00 -0.39 0.00 0.00 64.86 64.04 2kob h ILE 116 Cb 0.23 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 2kob h ILE 116 CO -0.00 0.21 0.01 0.78 -0.69 0.00 0.00 178.15 178.45 2kob h ASN 117 N 1.13 0.96 1.73 1.72 4.21 -0.74 -2.98 115.58 121.61 2kob h ASN 117 Ca 0.31 -0.26 -0.05 0.00 1.21 0.00 0.00 56.30 57.51 2kob h ASN 117 Cb -0.13 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 36.80 2kob h ASN 117 CO -0.07 1.01 -0.28 1.05 -1.29 0.00 0.00 177.43 177.86 2kob h GLU 118 N 0.91 0.00 -6.27 0.81 4.11 -1.11 -3.44 114.58 109.59 2kob h GLU 118 Ca 0.17 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 59.03 2kob h GLU 118 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2kob h GLU 118 CO 0.03 0.20 1.21 0.99 0.07 0.00 0.00 179.01 181.51 2kob s THR 119 N -3.11 3.53 -0.37 -1.06 2.01 -0.76 -4.85 115.64 111.03 2kob s THR 119 Ca 0.05 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.67 2kob s THR 119 Cb 0.06 -3.61 0.40 0.00 0.01 0.00 0.00 72.50 69.36 2kob s THR 119 CO 0.71 -0.32 1.40 2.29 -0.69 0.00 0.00 174.62 178.01 2kob n LYS 120 N 8.04 2.22 -2.48 4.92 2.85 -1.26 -4.90 118.16 127.54 2kob n LYS 120 Ca 0.21 -1.70 -0.24 0.00 -1.05 0.00 0.00 58.31 55.54 2kob n LYS 120 Cb 0.46 -1.75 0.08 0.00 -0.65 0.00 0.00 35.03 33.16 2kob n LYS 120 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2kob s LEU 121 N -1.73 3.03 0.67 -5.58 1.43 -1.26 -5.04 118.68 110.20 2kob s LEU 121 Ca 0.31 -0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.21 2kob s LEU 121 Cb 0.25 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.93 2kob s LEU 121 CO 0.07 -1.61 1.26 0.00 0.23 0.00 0.00 176.35 176.30 2kob s ALA 122 N -3.08 2.31 0.36 4.21 0.00 -1.26 -4.75 121.76 119.55 2kob s ALA 122 Ca 0.62 1.10 0.06 0.00 0.00 0.00 0.00 51.96 53.74 2kob s ALA 122 Cb -0.08 -3.52 0.73 0.00 0.00 0.00 0.00 23.12 20.25 2kob s ALA 122 CO 0.43 -1.65 1.95 -0.22 0.00 0.00 0.00 175.76 176.26 2kob h LYS 123 N 0.32 0.75 0.00 0.00 3.64 -1.97 0.23 116.57 119.54 2kob h LYS 123 Ca -0.50 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.81 2kob h LYS 123 Cb 1.32 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2kob h LYS 123 CO 0.52 0.49 -0.13 -2.95 -2.27 0.00 0.00 179.45 175.12 2kob h ASN 124 N 0.77 0.00 0.44 4.20 7.08 -1.99 -0.69 115.58 125.38 2kob h ASN 124 Ca 0.33 0.00 -0.31 0.00 -3.08 0.00 0.00 56.30 53.24 2kob h ASN 124 Cb 0.29 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.54 2kob h ASN 124 CO -0.11 0.13 -1.45 0.74 -2.08 0.00 0.00 177.43 174.65 2kob h THR 125 N 0.00 1.28 -0.45 6.14 2.02 -0.94 -2.15 112.91 118.80 2kob h THR 125 Ca -0.00 -2.83 0.02 0.00 0.77 0.00 0.00 66.41 64.37 2kob h THR 125 Cb 0.34 2.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.62 2kob h THR 125 CO 0.02 0.85 0.26 -0.07 0.37 0.00 0.00 175.52 176.95 2kob h LEU 126 N 0.09 0.42 -1.32 2.58 3.38 -0.64 0.19 115.31 120.02 2kob h LEU 126 Ca -0.22 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2kob h LEU 126 Cb 2.05 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 2kob h LEU 126 CO 0.21 0.30 0.17 0.11 0.09 0.00 0.00 178.44 179.32 2kob h LYS 127 N 0.53 0.63 -0.14 1.13 1.57 -1.19 0.19 116.57 119.29 2kob h LYS 127 Ca 0.18 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2kob h LYS 127 Cb 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2kob h LYS 127 CO -0.09 0.53 0.01 0.00 -0.57 0.00 0.00 179.45 179.34 2kob h ALA 128 N 1.56 0.19 -0.38 3.86 0.00 -0.63 0.14 119.26 124.00 2kob h ALA 128 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kob h ALA 128 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kob h ALA 128 CO -0.01 -0.13 0.20 0.82 0.00 0.00 0.00 179.25 180.12 2kob h ILE 129 N 0.00 1.16 0.14 0.00 2.04 -0.72 -1.29 117.51 118.85 2kob h ILE 129 Ca 0.04 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.48 2kob h ILE 129 Cb 0.34 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2kob h ILE 129 CO 0.01 0.17 -0.25 -0.09 0.00 0.00 0.00 178.15 177.99 2kob h ARG 130 N 0.48 -0.45 -0.35 2.37 9.65 -0.88 -1.60 114.38 123.60 2kob h ARG 130 Ca 0.13 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.07 2kob h ARG 130 Cb 0.09 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 2kob h ARG 130 CO -0.02 -0.30 0.15 -0.97 2.80 0.00 0.00 179.97 181.63 2kob h ASN 131 N -0.47 0.20 0.05 -3.80 -1.24 -0.56 0.10 115.58 109.86 2kob h ASN 131 Ca 0.02 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.07 2kob h ASN 131 Cb 0.48 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 2kob h ASN 131 CO -0.12 0.15 -0.11 0.74 -1.29 0.00 0.00 177.43 176.80 2kob h THR 132 N 0.31 0.73 -0.79 -3.57 2.02 -1.11 -1.50 112.91 109.01 2kob h THR 132 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 2kob h THR 132 Cb 0.09 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 2kob h THR 132 CO -0.13 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.17 2kob h ALA 133 N 0.70 1.02 -0.13 6.16 0.00 -1.01 -2.47 119.26 123.54 2kob h ALA 133 Ca 0.02 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kob h ALA 133 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kob h ALA 133 CO -0.08 0.55 0.01 0.77 0.00 0.00 0.00 179.25 180.50 2kob h SER 134 N 1.11 -0.03 0.12 0.00 0.02 -0.40 -2.08 113.55 112.28 2kob h SER 134 Ca 0.28 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.17 2kob h SER 134 Cb 0.07 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2kob h SER 134 CO -0.04 0.00 -0.27 1.56 -1.14 0.00 0.00 176.83 176.95 2kob h GLN 135 N 0.05 0.24 -0.26 3.45 4.20 -1.14 -1.55 115.11 120.10 2kob h GLN 135 Ca 0.06 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2kob h GLN 135 Cb 0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2kob h GLN 135 CO -0.09 0.50 0.14 0.82 -0.67 0.00 0.00 178.83 179.53 2kob h ILE 136 N 0.22 1.12 -0.68 2.54 2.04 -1.00 0.33 117.51 122.08 2kob h ILE 136 Ca 0.03 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 2kob h ILE 136 Cb 0.59 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2kob h ILE 136 CO 0.04 0.12 0.12 -0.26 0.00 0.00 0.00 178.15 178.17 2kob h PHE 137 N 0.31 1.17 -0.07 1.37 0.04 -1.01 -2.34 116.94 116.42 2kob h PHE 137 Ca 0.09 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 2kob h PHE 137 Cb 0.06 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 2kob h PHE 137 CO -0.03 0.97 -0.36 0.00 -0.60 0.00 0.00 178.31 178.29 2kob h ARG 138 N 1.04 0.13 -0.77 1.51 3.08 -1.05 -1.65 114.38 116.66 2kob h ARG 138 Ca 0.21 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 2kob h ARG 138 Cb 0.42 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 2kob h ARG 138 CO 0.01 0.47 0.34 1.25 -1.07 0.00 0.00 179.97 180.97 2kob h LEU 139 N 0.11 1.04 -1.13 3.04 5.85 -0.57 -1.07 115.31 122.59 2kob h LEU 139 Ca 0.01 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 2kob h LEU 139 Cb 0.69 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2kob h LEU 139 CO 0.05 0.90 0.00 0.00 -0.34 0.00 0.00 178.44 179.06 2kob h ALA 140 N 1.17 1.28 -0.48 1.25 0.00 -0.85 -0.59 119.26 121.06 2kob h ALA 140 Ca 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kob h ALA 140 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kob h ALA 140 CO -0.03 0.48 0.19 0.82 0.00 0.00 0.00 179.25 180.71 2kob h ILE 141 N 0.58 1.21 0.00 0.00 2.04 -0.75 0.26 117.51 120.85 2kob h ILE 141 Ca 0.12 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 2kob h ILE 141 Cb 0.37 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2kob h ILE 141 CO 0.01 0.24 -0.21 -0.33 0.00 0.00 0.00 178.15 177.87 2kob h GLU 142 N 0.63 0.00 -0.28 2.37 4.39 -0.62 -0.49 114.58 120.58 2kob h GLU 142 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2kob h GLU 142 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2kob h GLU 142 CO -0.01 0.21 0.00 0.09 -1.16 0.00 0.00 179.01 178.14 2kob n ASN 143 N -3.64 2.47 -1.56 1.42 5.03 -0.28 -4.94 115.26 113.77 2kob n ASN 143 Ca -0.01 -1.85 -0.16 0.00 0.87 0.00 0.00 54.58 53.42 2kob n ASN 143 Cb 0.34 -0.18 -0.04 0.00 -1.02 0.00 0.00 39.78 38.88 2kob n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kob n ARG 144 N 0.85 -1.21 0.07 3.52 1.74 -0.19 -4.86 116.66 116.58 2kob n ARG 144 Ca 0.17 0.92 -0.03 0.00 -0.77 0.00 0.00 57.85 58.15 2kob n ARG 144 Cb 0.45 -5.22 -0.07 0.00 -1.02 0.00 0.00 32.46 26.61 2kob n ARG 144 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kob h ALA 145 N 0.40 0.58 -2.59 7.54 0.00 -0.78 -3.47 119.26 120.94 2kob h ALA 145 Ca -0.36 -0.83 -0.12 0.00 0.00 0.00 0.00 54.91 53.61 2kob h ALA 145 Cb 1.17 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.83 2kob h ALA 145 CO 0.47 1.03 -0.43 -1.50 0.00 0.00 0.00 179.25 178.82 2kob s ILE 146 N -2.82 0.11 -1.62 0.00 2.07 -1.16 -4.99 121.20 112.79 2kob s ILE 146 Ca 0.00 -0.93 0.19 0.00 -1.41 0.00 0.00 60.65 58.50 2kob s ILE 146 Cb 0.09 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.77 2kob s ILE 146 CO 0.79 -0.51 0.93 -0.90 -1.91 0.00 0.00 174.94 173.34 2kob n ASP 147 N 0.74 1.71 -3.65 4.50 5.75 -1.26 -3.74 116.55 120.60 2kob n ASP 147 Ca -0.19 -1.35 -0.15 0.00 -0.01 0.00 0.00 54.79 53.09 2kob n ASP 147 Cb 0.59 0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 41.12 2kob n ASP 147 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2kob s PHE 148 N -2.18 -0.54 -0.33 2.11 5.36 -1.26 -5.05 117.98 116.10 2kob s PHE 148 Ca 0.15 1.12 -0.08 0.00 -0.96 0.00 0.00 56.93 57.16 2kob s PHE 148 Cb 0.15 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 43.10 2kob s PHE 148 CO 0.49 -0.41 0.13 0.54 -1.46 0.00 0.00 175.22 174.51 2kob s ASN 149 N -0.51 5.38 0.06 6.13 4.22 -1.26 -4.95 114.94 124.01 2kob s ASN 149 Ca -0.06 -0.89 0.11 0.00 -2.14 0.00 0.00 52.86 49.87 2kob s ASN 149 Cb -0.03 -1.93 0.49 0.00 1.28 0.00 0.00 41.25 41.06 2kob s ASN 149 CO 0.04 -0.28 1.34 -0.81 -2.04 0.00 0.00 177.10 175.35 2kob n PRO 150 N 4.90 0.04 0.12 3.55 -0.04 -1.26 -2.03 135.00 140.27 2kob n PRO 150 Ca -0.13 0.40 -0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2kob n PRO 150 Cb 0.47 -1.59 0.29 0.00 -0.04 0.00 0.00 33.50 32.63 2kob n PRO 150 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kob h ALA 151 N 2.24 1.26 0.00 0.55 0.00 -1.92 -2.04 119.26 119.36 2kob h ALA 151 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kob h ALA 151 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kob h ALA 151 CO 0.00 0.51 0.00 0.22 0.00 0.00 0.00 179.25 179.98 2kob h ASP 152 N 0.17 0.00 1.51 0.00 3.58 -1.78 -2.14 116.42 117.76 2kob h ASP 152 Ca 0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2kob h ASP 152 Cb 0.67 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 2kob h ASP 152 CO 0.05 0.00 -0.50 0.22 -2.88 0.00 0.00 179.24 176.13 2kob h TYR 153 N 0.00 0.00 -3.13 0.28 5.03 -1.51 -3.45 116.97 114.18 2kob h TYR 153 Ca 0.00 0.00 -0.53 0.00 2.58 0.00 0.00 58.73 60.78 2kob h TYR 153 Cb 0.51 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.80 2kob h TYR 153 CO 0.00 0.08 0.62 0.08 -1.32 0.00 0.00 178.16 177.62 2kob s VAL 154 N -3.23 3.85 0.25 1.81 1.01 -0.80 -4.99 120.40 118.30 2kob s VAL 154 Ca 0.03 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 2kob s VAL 154 Cb 0.07 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 2kob s VAL 154 CO 0.73 0.09 0.70 -0.13 0.00 0.00 0.00 175.10 176.49 2kob s ARG 155 N 1.19 4.10 -0.31 2.72 0.52 -1.26 -5.03 118.95 120.87 2kob s ARG 155 Ca 0.60 0.71 -0.07 0.00 -0.52 0.00 0.00 55.73 56.45 2kob s ARG 155 Cb -0.31 -2.70 0.02 0.00 0.52 0.00 0.00 34.95 32.48 2kob s ARG 155 CO 0.29 0.31 0.09 0.42 0.02 0.00 0.00 175.30 176.43 2kob s ILE 156 N -1.71 3.96 0.16 1.52 -1.09 -1.26 -4.99 121.20 117.79 2kob s ILE 156 Ca 0.47 -0.80 -0.34 0.00 -2.23 0.00 0.00 60.65 57.75 2kob s ILE 156 Cb -0.14 -3.10 -0.14 0.00 -1.58 0.00 0.00 42.46 37.50 2kob s ILE 156 CO 0.19 0.00 1.54 -2.65 -1.23 0.00 0.00 174.94 172.79 2kob n PRO 157 N 4.86 2.02 -0.11 2.79 -0.02 -1.26 -4.91 135.00 138.38 2kob n PRO 157 Ca -0.14 0.73 -0.24 0.00 -2.02 0.00 0.00 63.50 61.83 2kob n PRO 157 Cb 0.47 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.36 2kob n PRO 157 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kob n LYS 158 N 3.21 0.61 0.00 -0.52 5.02 -1.26 -4.95 118.16 120.26 2kob n LYS 158 Ca 0.17 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2kob n LYS 158 Cb 0.28 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2kob n LYS 158 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2kob n ILE 159 N -4.15 0.00 -2.11 -0.18 2.08 -1.26 -4.83 119.36 108.91 2kob n ILE 159 Ca -0.41 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.48 2kob n ILE 159 Cb 0.83 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.69 2kob n ILE 159 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kob s ALA 160 N 0.00 2.73 -1.72 -1.39 0.00 -1.26 -2.94 121.76 117.18 2kob s ALA 160 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 2kob s ALA 160 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2kob s ALA 160 CO 0.00 -2.92 0.20 1.28 0.00 0.00 0.00 175.76 174.32 2kob n LEU 161 N 10.55 -2.20 -4.56 0.00 4.77 -1.26 -4.89 117.00 119.40 2kob n LEU 161 Ca 0.20 -0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.69 2kob n LEU 161 Cb 0.48 -2.96 -0.03 0.00 -2.33 0.00 0.00 43.42 38.58 2kob n LEU 161 CO 0.70 -0.07 1.43 -0.70 -1.33 0.00 0.00 177.39 177.41 2kob s GLU 162 N -5.26 3.31 -0.17 3.23 2.12 -1.15 -4.96 118.70 115.82 2kob s GLU 162 Ca 0.10 -0.81 -0.17 0.00 0.36 0.00 0.00 54.97 54.44 2kob s GLU 162 Cb -0.04 -5.16 -0.04 0.00 0.26 0.00 0.00 34.13 29.15 2kob s GLU 162 CO 0.12 -2.46 0.46 -1.01 -0.54 0.00 0.00 175.26 171.83 2kob s HIS 163 N 6.22 3.42 -0.19 5.30 3.76 -1.26 -4.93 115.29 127.61 2kob s HIS 163 Ca 0.50 0.75 -0.21 0.00 -0.15 0.00 0.00 55.06 55.96 2kob s HIS 163 Cb -0.03 -2.57 -0.18 0.00 1.11 0.00 0.00 32.58 30.91 2kob s HIS 163 CO -0.05 0.02 0.24 0.45 -0.85 0.00 0.00 174.74 174.56 2kob h HIS 164 N 7.17 0.00 0.00 1.40 -0.00 -2.04 -3.48 115.15 118.20 2kob h HIS 164 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 2kob h HIS 164 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 2kob h HIS 164 CO 0.66 1.24 0.00 1.58 -0.00 0.00 0.00 177.93 181.41 2kob n HIS 165 N -4.48 0.00 -2.74 2.45 -0.00 -1.26 -3.34 115.22 105.84 2kob n HIS 165 Ca -0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.45 2kob n HIS 165 Cb 0.60 -1.39 0.00 0.00 -0.00 0.00 0.00 29.99 29.19 2kob n HIS 165 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kob n HIS 166 N -2.25 -3.91 -2.66 1.57 8.25 -1.26 -4.92 115.22 110.04 2kob n HIS 166 Ca 0.00 1.71 -0.43 0.00 -0.26 0.00 0.00 57.72 58.75 2kob n HIS 166 Cb 0.32 -3.99 -0.02 0.00 1.12 0.00 0.00 29.99 27.42 2kob n HIS 166 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kob s HIS 167 N -1.74 3.26 -2.72 4.41 5.04 -1.21 -5.30 115.29 117.03 2kob s HIS 167 Ca 0.03 1.34 0.22 0.00 -1.54 0.00 0.00 55.06 55.11 2kob s HIS 167 Cb -0.01 -3.44 0.17 0.00 0.04 0.00 0.00 32.58 29.34 2kob s HIS 167 CO 0.77 -0.60 1.19 0.72 -2.34 0.00 0.00 174.74 174.48