#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 4.86 0.17 0.55 1.11 -1.26 -5.02 116.67 117.08 2kob s ASP 62 Ca 0.00 -0.21 -0.12 0.00 0.18 0.00 0.00 52.55 52.40 2kob s ASP 62 Cb 0.00 -1.12 -0.07 0.00 1.07 0.00 0.00 42.92 42.80 2kob s ASP 62 CO 0.00 0.19 0.53 -0.55 1.18 0.00 0.00 175.17 176.52 2kob s SER 63 N -2.15 6.73 0.47 0.27 0.15 -1.26 -0.15 113.70 117.76 2kob s SER 63 Ca 0.24 0.99 0.12 0.00 0.70 0.00 0.00 55.95 58.00 2kob s SER 63 Cb -0.11 -2.25 1.09 0.00 -1.71 0.00 0.00 66.02 63.03 2kob s SER 63 CO 0.16 0.05 2.11 0.15 1.20 0.00 0.00 173.24 176.90 2kob h PHE 64 N 3.22 0.23 -0.24 3.44 3.57 -1.43 -1.25 116.94 124.49 2kob h PHE 64 Ca -0.48 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.05 2kob h PHE 64 Cb 1.18 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2kob h PHE 64 CO 0.64 0.14 0.16 0.78 -2.23 0.00 0.00 178.31 177.80 2kob h GLY 65 N 0.25 0.25 0.22 2.40 0.00 -1.72 0.21 103.07 104.68 2kob h GLY 65 Ca 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2kob h GLY 65 CO -0.02 0.08 -0.24 -1.80 0.00 0.00 0.00 176.54 174.57 2kob h ASP 66 N 0.22 0.14 -0.54 0.19 3.58 -1.54 -2.69 116.42 115.79 2kob h ASP 66 Ca 0.10 -0.97 -0.03 0.00 0.42 0.00 0.00 57.03 56.55 2kob h ASP 66 Cb 0.11 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 2kob h ASP 66 CO -0.02 1.10 0.25 -0.50 -2.88 0.00 0.00 179.24 177.19 2kob h TRP 67 N -0.80 0.82 0.08 0.28 4.06 -1.25 0.33 115.95 119.47 2kob h TRP 67 Ca -0.04 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.87 2kob h TRP 67 Cb 1.17 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 2kob h TRP 67 CO 0.25 0.62 -0.04 0.00 -3.56 0.00 0.00 178.44 175.71 2kob h ALA 68 N 1.46 -0.10 -0.46 1.49 0.00 -0.68 -1.06 119.26 119.90 2kob h ALA 68 Ca 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2kob h ALA 68 Cb 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kob h ALA 68 CO -0.02 -0.46 0.20 1.49 0.00 0.00 0.00 179.25 180.46 2kob h GLU 69 N -0.30 0.65 -0.53 0.00 4.57 -1.11 0.30 114.58 118.16 2kob h GLU 69 Ca -0.01 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2kob h GLU 69 Cb 0.26 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 2kob h GLU 69 CO 0.02 0.53 0.33 -0.22 -1.18 0.00 0.00 179.01 178.49 2kob h LYS 70 N 0.65 0.64 -0.37 1.92 3.64 -0.09 0.26 116.57 123.22 2kob h LYS 70 Ca 0.16 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 2kob h LYS 70 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2kob h LYS 70 CO -0.02 0.42 -0.29 0.35 -2.27 0.00 0.00 179.45 177.64 2kob h PHE 71 N 0.66 1.01 -0.33 1.91 3.57 -0.42 0.32 116.94 123.66 2kob h PHE 71 Ca 0.21 -0.28 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 2kob h PHE 71 Cb -0.02 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2kob h PHE 71 CO -0.05 1.07 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.02 2kob h LEU 72 N 0.65 0.47 0.07 0.59 3.38 -0.60 -0.26 115.31 119.61 2kob h LEU 72 Ca 0.07 -0.09 -0.28 0.00 0.09 0.00 0.00 57.88 57.67 2kob h LEU 72 Cb 0.87 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2kob h LEU 72 CO 0.08 0.54 -1.42 0.50 0.09 0.00 0.00 178.44 178.23 2kob h LYS 73 N 0.48 0.15 -0.02 1.13 3.64 -0.34 -0.47 116.57 121.15 2kob h LYS 73 Ca 0.10 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.11 2kob h LYS 73 Cb 0.32 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2kob h LYS 73 CO 0.01 0.98 -0.57 0.66 -2.27 0.00 0.00 179.45 178.26 2kob h SER 74 N 0.04 0.06 0.67 4.20 4.64 -0.78 -0.01 113.55 122.37 2kob h SER 74 Ca -0.19 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 60.90 2kob h SER 74 Cb 1.95 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 64.01 2kob h SER 74 CO 0.14 0.62 -0.89 0.50 -0.87 0.00 0.00 176.83 176.33 2kob h LYS 75 N 0.04 0.14 -0.26 4.77 1.63 -1.07 -0.14 116.57 121.68 2kob h LYS 75 Ca -0.00 -0.16 0.02 0.00 -0.85 0.00 0.00 60.65 59.65 2kob h LYS 75 Cb 1.02 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.68 2kob h LYS 75 CO 0.08 0.94 0.13 1.49 -3.45 0.00 0.00 179.45 178.64 2kob h GLU 76 N 0.07 0.27 0.00 1.90 4.81 -0.66 -1.97 114.58 119.00 2kob h GLU 76 Ca -0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kob h GLU 76 Cb 1.54 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2kob h GLU 76 CO 0.13 0.18 0.00 0.00 -0.73 0.00 0.00 179.01 178.59 2kob h ALA 77 N 1.13 1.00 0.28 2.92 0.00 -0.96 -3.23 119.26 120.40 2kob h ALA 77 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kob h ALA 77 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kob h ALA 77 CO -0.07 0.00 -0.13 0.22 0.00 0.00 0.00 179.25 179.27 2kob h ASP 78 N 0.00 -0.32 0.00 0.00 3.58 -0.28 -3.48 116.42 115.93 2kob h ASP 78 Ca 0.00 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2kob h ASP 78 Cb 0.65 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2kob h ASP 78 CO 0.00 -0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2kob n GLY 79 N -0.48 -0.41 3.57 -0.78 0.00 -0.93 -5.08 105.19 101.08 2kob n GLY 79 Ca -0.10 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 3.08 0.47 1.61 -7.23 -1.24 -5.06 120.40 112.03 2kob s VAL 80 Ca 0.00 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 2kob s VAL 80 Cb 0.00 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 2kob s VAL 80 CO 0.00 -0.31 0.98 -0.55 -0.31 0.00 0.00 175.10 174.91 2kob s SER 81 N -3.39 6.67 0.41 4.85 0.15 -1.26 -4.88 113.70 116.26 2kob s SER 81 Ca 0.29 1.71 0.12 0.00 0.70 0.00 0.00 55.95 58.77 2kob s SER 81 Cb -0.07 -2.54 0.95 0.00 -1.71 0.00 0.00 66.02 62.66 2kob s SER 81 CO 0.17 -0.55 1.97 1.62 1.20 0.00 0.00 173.24 177.66 2kob h VAL 82 N 1.49 0.93 -0.62 4.45 3.04 -2.00 0.28 116.25 123.82 2kob h VAL 82 Ca -0.48 -0.17 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 2kob h VAL 82 Cb 1.19 0.38 -0.03 0.00 -2.01 0.00 0.00 31.29 30.83 2kob h VAL 82 CO 0.61 0.09 0.26 0.28 -1.01 0.00 0.00 177.57 177.80 2kob h SER 83 N 0.50 0.85 0.43 3.17 0.02 -1.99 0.20 113.55 116.73 2kob h SER 83 Ca 0.29 -0.16 -0.19 0.00 -0.84 0.00 0.00 61.79 60.89 2kob h SER 83 Cb 0.46 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2kob h SER 83 CO -0.09 0.77 -0.81 -0.61 -1.14 0.00 0.00 176.83 174.96 2kob h GLN 84 N 0.87 0.28 -0.31 3.45 5.75 -1.54 -2.70 115.11 120.91 2kob h GLN 84 Ca 0.21 -0.27 -0.10 0.00 -0.15 0.00 0.00 58.65 58.34 2kob h GLN 84 Cb 0.18 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 2kob h GLN 84 CO -0.02 0.95 -0.21 1.25 -2.65 0.00 0.00 178.83 178.15 2kob h LEU 85 N 0.18 0.72 -0.51 -2.39 5.85 -0.19 -2.28 115.31 116.69 2kob h LEU 85 Ca -0.04 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2kob h LEU 85 Cb 1.41 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2kob h LEU 85 CO 0.13 1.00 0.33 0.78 -0.34 0.00 0.00 178.44 180.34 2kob h ASN 86 N 0.44 0.60 -0.62 1.25 2.35 -0.61 -1.18 115.58 117.81 2kob h ASN 86 Ca 0.06 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2kob h ASN 86 Cb 0.76 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 2kob h ASN 86 CO 0.06 0.45 0.21 0.77 -1.65 0.00 0.00 177.43 177.26 2kob h SER 87 N 0.69 0.92 -0.20 5.81 4.64 -1.44 0.25 113.55 124.21 2kob h SER 87 Ca 0.19 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2kob h SER 87 Cb -0.05 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 2kob h SER 87 CO -0.04 0.86 0.13 1.88 -0.87 0.00 0.00 176.83 178.79 2kob h TYR 88 N 0.96 0.26 -0.61 4.77 0.05 -1.03 -0.24 116.97 121.13 2kob h TYR 88 Ca 0.21 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.95 2kob h TYR 88 Cb 0.27 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 2kob h TYR 88 CO 0.02 0.19 0.19 0.87 -1.05 0.00 0.00 178.16 178.38 2kob h LYS 89 N 0.26 0.92 -0.20 4.88 1.57 -0.74 -0.80 116.57 122.46 2kob h LYS 89 Ca 0.07 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2kob h LYS 89 Cb -0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2kob h LYS 89 CO -0.01 0.79 0.09 -0.91 -0.57 0.00 0.00 179.45 178.84 2kob h ASN 90 N 0.89 0.26 -0.54 0.86 2.35 -0.19 0.19 115.58 119.40 2kob h ASN 90 Ca 0.20 -0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2kob h ASN 90 Cb 0.25 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 2kob h ASN 90 CO -0.01 0.32 0.28 1.88 -1.65 0.00 0.00 177.43 178.25 2kob h TYR 91 N 0.19 0.52 0.28 1.19 0.05 -0.74 -0.34 116.97 118.13 2kob h TYR 91 Ca 0.07 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 2kob h TYR 91 Cb 0.13 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2kob h TYR 91 CO -0.02 0.26 -0.13 0.00 -1.05 0.00 0.00 178.16 177.21 2kob h ARG 93 N -0.70 0.24 0.00 0.00 2.43 -0.64 -2.75 114.38 112.96 2kob h ARG 93 Ca -0.04 -0.41 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 2kob h ARG 93 Cb 0.48 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2kob h ARG 93 CO 0.06 1.14 -0.46 -0.97 -1.51 0.00 0.00 179.97 178.23 2kob h ASN 94 N 0.07 0.00 0.13 -3.80 -0.73 -1.18 -3.25 115.58 106.82 2kob h ASN 94 Ca -0.19 -0.67 -0.29 0.00 1.87 0.00 0.00 56.30 57.02 2kob h ASN 94 Cb 1.99 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.58 2kob h ASN 94 CO 0.18 1.10 -1.45 0.45 -0.37 0.00 0.00 177.43 177.34 2kob h HIS 95 N -1.00 0.51 -0.50 0.67 3.86 -1.36 -3.31 115.15 114.02 2kob h HIS 95 Ca -0.12 -0.38 -0.20 0.00 -1.16 0.00 0.00 60.37 58.51 2kob h HIS 95 Cb 0.98 -0.02 -0.12 0.00 1.06 0.00 0.00 27.41 29.30 2kob h HIS 95 CO 0.16 1.57 0.26 1.28 0.86 0.00 0.00 177.93 182.05 2kob n LEU 96 N -3.86 4.71 -0.14 2.43 4.32 -0.61 -4.56 117.00 119.30 2kob n LEU 96 Ca -0.24 -2.46 -0.04 0.00 -0.02 0.00 0.00 56.01 53.25 2kob n LEU 96 Cb 0.94 -0.67 0.05 0.00 -1.62 0.00 0.00 43.42 42.12 2kob n LEU 96 CO 0.44 0.70 0.94 0.77 -1.22 0.00 0.00 177.39 179.03 2kob h SER 97 N 1.15 0.13 -0.59 -1.43 4.64 -1.59 0.16 113.55 116.02 2kob h SER 97 Ca 0.25 0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.68 2kob h SER 97 Cb 1.85 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.96 2kob h SER 97 CO 0.53 0.10 0.39 -0.65 -0.87 0.00 0.00 176.83 176.33 2kob h PRO 98 N 0.30 0.59 0.14 4.77 0.11 -1.90 -2.44 132.00 133.57 2kob h PRO 98 Ca 0.22 -0.04 -0.28 0.00 0.11 0.00 0.00 66.00 66.01 2kob h PRO 98 Cb 0.23 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.22 2kob h PRO 98 CO -0.24 0.39 -1.25 -0.07 -0.21 0.00 0.00 178.00 176.63 2kob h LEU 99 N 0.61 0.60 -2.46 2.35 3.38 -1.65 -3.25 115.31 114.89 2kob h LEU 99 Ca 0.25 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2kob h LEU 99 Cb 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kob h LEU 99 CO -0.07 1.45 -0.01 0.22 0.09 0.00 0.00 178.44 180.11 2kob h TYR 100 N 0.14 0.00 -0.02 1.13 3.20 -0.24 -0.63 116.97 120.55 2kob h TYR 100 Ca -0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2kob h TYR 100 Cb 1.94 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.21 2kob h TYR 100 CO 0.08 0.01 -0.23 -1.33 -1.64 0.00 0.00 178.16 175.06 2kob n MET 101 N -3.77 1.62 -3.43 1.82 2.81 -1.13 -2.83 117.12 112.20 2kob n MET 101 Ca -0.03 -1.27 -0.19 0.00 -1.81 0.00 0.00 57.70 54.40 2kob n MET 101 Cb 0.09 -1.47 -0.01 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.26 2.85 0.50 0.03 1.02 -0.24 -4.99 119.74 116.64 2kob s LYS 102 Ca 0.25 -1.23 -0.11 0.00 0.02 0.00 0.00 55.97 54.89 2kob s LYS 102 Cb 0.19 -2.65 -0.06 0.00 -0.52 0.00 0.00 37.83 34.79 2kob s LYS 102 CO 0.44 -0.07 0.90 -1.12 -0.92 0.00 0.00 175.35 174.58 2kob s SER 103 N -4.18 6.44 0.20 2.83 0.01 -1.26 -1.37 113.70 116.38 2kob s SER 103 Ca 0.47 1.29 -0.10 0.00 1.31 0.00 0.00 55.95 58.92 2kob s SER 103 Cb -0.08 -2.40 0.23 0.00 0.21 0.00 0.00 66.02 63.98 2kob s SER 103 CO 0.30 -0.59 1.78 0.25 0.41 0.00 0.00 173.24 175.38 2kob h LEU 104 N 0.62 0.38 -0.70 2.44 5.85 -0.82 -1.71 115.31 121.38 2kob h LEU 104 Ca -0.46 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2kob h LEU 104 Cb 1.19 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2kob h LEU 104 CO 0.62 0.25 0.00 -1.20 -0.34 0.00 0.00 178.44 177.77 2kob n SER 105 N -4.89 1.08 -0.58 1.25 7.64 -1.26 -3.48 113.62 113.38 2kob n SER 105 Ca 0.07 -1.38 0.09 0.00 1.01 0.00 0.00 58.87 58.67 2kob n SER 105 Cb 0.20 -0.01 0.04 0.00 -1.01 0.00 0.00 64.21 63.43 2kob n SER 105 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kob n GLU 106 N -0.15 1.60 -2.75 1.43 1.02 -0.65 -4.95 120.64 116.19 2kob n GLU 106 Ca 0.20 -1.24 -0.42 0.00 -0.02 0.00 0.00 57.16 55.68 2kob n GLU 106 Cb 0.28 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.84 4.84 0.06 -3.67 1.01 -1.15 -4.89 121.20 115.56 2kob s ILE 107 Ca 0.18 1.94 -0.04 0.00 0.00 0.00 0.00 60.65 62.73 2kob s ILE 107 Cb 0.15 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 2kob s ILE 107 CO 0.35 0.07 0.28 -0.76 0.00 0.00 0.00 174.94 174.88 2kob s LEU 108 N 1.66 4.34 0.51 2.97 1.43 -1.26 -4.93 118.68 123.39 2kob s LEU 108 Ca 0.47 0.50 0.15 0.00 -1.03 0.00 0.00 54.13 54.22 2kob s LEU 108 Cb -0.19 -2.91 1.22 0.00 0.03 0.00 0.00 46.19 44.35 2kob s LEU 108 CO 0.20 0.18 2.13 1.55 0.23 0.00 0.00 176.35 180.65 2kob h PRO 109 N 3.47 0.04 0.00 1.29 0.13 -1.97 -1.58 132.00 133.38 2kob h PRO 109 Ca -0.48 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2kob h PRO 109 Cb 1.18 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kob h PRO 109 CO 0.70 0.04 -0.25 0.00 -0.23 0.00 0.00 178.00 178.25 2kob h ALA 110 N 1.97 1.56 0.10 -0.56 0.00 -1.94 -0.32 119.26 120.08 2kob h ALA 110 Ca 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kob h ALA 110 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kob h ALA 110 CO -0.00 0.32 -0.05 -0.44 0.00 0.00 0.00 179.25 179.08 2kob h ASP 111 N 0.00 -0.11 -0.64 0.00 3.32 -1.69 0.25 116.42 117.55 2kob h ASP 111 Ca -0.00 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 2kob h ASP 111 Cb 0.45 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 2kob h ASP 111 CO 0.03 0.15 0.11 0.40 -1.72 0.00 0.00 179.24 178.21 2kob h ILE 112 N -0.38 1.26 -0.77 0.35 2.04 -1.51 -1.10 117.51 117.42 2kob h ILE 112 Ca -0.01 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 64.85 2kob h ILE 112 Cb 0.31 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2kob h ILE 112 CO 0.02 0.38 0.49 -0.61 0.00 0.00 0.00 178.15 178.43 2kob h GLN 113 N 0.98 0.94 -0.44 2.37 5.75 -0.96 -1.07 115.11 122.68 2kob h GLN 113 Ca 0.19 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2kob h GLN 113 Cb 0.43 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 2kob h GLN 113 CO 0.01 0.62 0.28 1.03 -2.65 0.00 0.00 178.83 178.13 2kob h SER 114 N 0.97 0.51 -0.40 -0.69 0.87 0.04 -0.15 113.55 114.70 2kob h SER 114 Ca 0.30 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 2kob h SER 114 Cb -0.02 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 2kob h SER 114 CO -0.10 0.38 0.15 0.40 -0.53 0.00 0.00 176.83 177.13 2kob h ILE 115 N 0.59 0.89 -0.85 2.23 2.04 -0.65 0.34 117.51 122.11 2kob h ILE 115 Ca 0.16 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2kob h ILE 115 Cb -0.05 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 2kob h ILE 115 CO -0.03 0.06 0.50 0.40 0.00 0.00 0.00 178.15 179.07 2kob h ILE 116 N 0.32 1.24 -0.22 -0.67 1.08 -0.82 -1.05 117.51 117.39 2kob h ILE 116 Ca 0.18 -0.55 -0.15 0.00 -0.39 0.00 0.00 64.86 63.95 2kob h ILE 116 Cb 0.15 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 2kob h ILE 116 CO -0.18 0.26 -0.46 -1.13 -0.69 0.00 0.00 178.15 175.94 2kob h ASN 117 N 1.17 0.79 1.62 1.72 -0.73 -0.28 -3.23 115.58 116.64 2kob h ASN 117 Ca 0.30 -0.55 0.00 0.00 1.87 0.00 0.00 56.30 57.92 2kob h ASN 117 Cb -0.02 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.34 2kob h ASN 117 CO -0.05 1.19 -0.05 -0.33 -0.37 0.00 0.00 177.43 177.82 2kob h GLU 118 N 0.41 0.00 -6.35 6.67 5.08 -0.20 -3.43 114.58 116.76 2kob h GLU 118 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2kob h GLU 118 Cb 1.07 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 2kob h GLU 118 CO 0.10 0.00 0.76 0.99 -1.00 0.00 0.00 179.01 179.86 2kob s THR 119 N -3.15 4.43 -1.22 1.13 2.01 -0.41 -4.93 115.64 113.50 2kob s THR 119 Ca 0.09 1.26 -0.05 0.00 0.31 0.00 0.00 61.69 63.30 2kob s THR 119 Cb 0.10 -4.45 0.20 0.00 0.01 0.00 0.00 72.50 68.35 2kob s THR 119 CO 0.63 -0.72 2.05 0.29 -0.69 0.00 0.00 174.62 176.19 2kob n LYS 120 N 7.19 4.59 -3.51 4.92 5.02 -1.26 -4.91 118.16 130.21 2kob n LYS 120 Ca 0.10 -3.88 -0.17 0.00 -2.02 0.00 0.00 58.31 52.34 2kob n LYS 120 Cb 0.48 -2.64 -0.04 0.00 -0.02 0.00 0.00 35.03 32.81 2kob n LYS 120 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kob n LEU 121 N 1.69 0.00 -4.72 -0.35 4.77 -1.26 -5.14 117.00 111.99 2kob n LEU 121 Ca 0.50 -1.90 -0.32 0.00 -0.03 0.00 0.00 56.01 54.26 2kob n LEU 121 Cb 0.28 0.48 0.11 0.00 -2.33 0.00 0.00 43.42 41.96 2kob n LEU 121 CO 0.68 -0.28 0.74 0.00 -1.33 0.00 0.00 177.39 177.19 2kob s ALA 122 N -2.62 1.98 0.27 -1.18 0.00 -1.26 -4.82 121.76 114.14 2kob s ALA 122 Ca 0.08 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 2kob s ALA 122 Cb 0.00 -3.41 0.35 0.00 0.00 0.00 0.00 23.12 20.06 2kob s ALA 122 CO 0.06 -2.06 1.87 0.87 0.00 0.00 0.00 175.76 176.50 2kob h LYS 123 N -0.90 1.05 0.00 0.00 1.79 -1.99 -1.28 116.57 115.23 2kob h LYS 123 Ca -0.45 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 57.84 2kob h LYS 123 Cb 1.27 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 2kob h LYS 123 CO 0.48 0.80 -0.20 -2.95 -1.08 0.00 0.00 179.45 176.50 2kob h ASN 124 N 1.05 0.00 0.08 0.86 7.08 -1.99 -1.38 115.58 121.27 2kob h ASN 124 Ca 0.26 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 53.21 2kob h ASN 124 Cb 0.09 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.35 2kob h ASN 124 CO -0.03 0.20 -1.06 0.74 -2.08 0.00 0.00 177.43 175.20 2kob h THR 125 N 0.00 1.30 -0.44 6.14 2.02 -1.61 -2.03 112.91 118.29 2kob h THR 125 Ca -0.00 -2.31 -0.02 0.00 0.77 0.00 0.00 66.41 64.85 2kob h THR 125 Cb 0.43 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 2kob h THR 125 CO 0.03 0.71 0.21 -0.07 0.37 0.00 0.00 175.52 176.77 2kob h LEU 126 N 0.35 0.58 -0.66 2.58 3.38 -0.89 -1.17 115.31 119.48 2kob h LEU 126 Ca -0.13 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2kob h LEU 126 Cb 1.71 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 2kob h LEU 126 CO 0.20 0.55 0.43 0.11 0.09 0.00 0.00 178.44 179.82 2kob h LYS 127 N 0.57 0.85 -0.88 1.13 1.57 -1.29 -2.52 116.57 116.00 2kob h LYS 127 Ca 0.15 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2kob h LYS 127 Cb 0.12 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2kob h LYS 127 CO -0.02 0.56 0.54 0.00 -0.57 0.00 0.00 179.45 179.96 2kob h ALA 128 N 1.25 1.29 0.07 3.86 0.00 -0.92 0.12 119.26 124.93 2kob h ALA 128 Ca 0.25 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2kob h ALA 128 Cb -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 2kob h ALA 128 CO -0.06 0.62 -0.10 0.82 0.00 0.00 0.00 179.25 180.52 2kob h ILE 129 N 1.21 0.77 -0.28 0.00 2.04 -0.80 0.45 117.51 120.90 2kob h ILE 129 Ca 0.32 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.14 2kob h ILE 129 Cb -0.06 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2kob h ILE 129 CO -0.06 0.00 0.05 -0.09 0.00 0.00 0.00 178.15 178.05 2kob h ARG 130 N -0.21 0.45 -0.14 2.37 2.43 -1.20 -2.27 114.38 115.82 2kob h ARG 130 Ca 0.01 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2kob h ARG 130 Cb 0.21 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 2kob h ARG 130 CO -0.05 0.57 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.85 2kob h ASN 131 N 0.27 -0.68 -0.59 -3.80 -0.26 -0.59 0.22 115.58 110.14 2kob h ASN 131 Ca 0.08 0.11 0.07 0.00 -0.56 0.00 0.00 56.30 56.01 2kob h ASN 131 Cb 0.33 0.31 -0.06 0.00 -1.06 0.00 0.00 38.32 37.84 2kob h ASN 131 CO 0.01 -0.27 0.28 0.74 -1.06 0.00 0.00 177.43 177.12 2kob h THR 132 N -0.28 0.88 -0.53 2.81 2.02 -0.87 -1.27 112.91 115.68 2kob h THR 132 Ca 0.10 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2kob h THR 132 Cb 0.43 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2kob h THR 132 CO -0.30 0.09 0.15 0.00 0.37 0.00 0.00 175.52 175.83 2kob h ALA 133 N 1.35 0.69 -0.20 6.16 0.00 -0.76 -2.52 119.26 123.99 2kob h ALA 133 Ca 0.28 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kob h ALA 133 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kob h ALA 133 CO -0.22 0.37 -0.11 0.66 0.00 0.00 0.00 179.25 179.95 2kob h SER 134 N 0.73 0.29 -0.73 0.00 4.64 0.04 -1.29 113.55 117.25 2kob h SER 134 Ca 0.17 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 2kob h SER 134 Cb 0.31 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 2kob h SER 134 CO -0.00 0.44 0.32 1.56 -0.87 0.00 0.00 176.83 178.27 2kob h GLN 135 N 0.30 1.07 0.07 4.77 7.50 -0.92 -0.05 115.11 127.86 2kob h GLN 135 Ca 0.06 -0.18 -0.00 0.00 0.50 0.00 0.00 58.65 59.03 2kob h GLN 135 Cb 0.38 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.73 2kob h GLN 135 CO 0.02 0.87 -0.03 0.82 -1.50 0.00 0.00 178.83 179.00 2kob h ILE 136 N 1.04 0.98 -0.71 2.54 1.08 -0.86 -1.54 117.51 120.04 2kob h ILE 136 Ca 0.25 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.51 2kob h ILE 136 Cb 0.17 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 2kob h ILE 136 CO -0.02 0.05 0.34 -0.26 -0.69 0.00 0.00 178.15 177.56 2kob h PHE 137 N -0.18 1.01 -0.54 1.37 0.04 -1.14 -2.28 116.94 115.22 2kob h PHE 137 Ca -0.01 -0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 2kob h PHE 137 Cb 0.15 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 2kob h PHE 137 CO -0.05 0.74 0.06 0.00 -0.60 0.00 0.00 178.31 178.47 2kob h ARG 138 N 1.01 0.86 -0.85 1.51 3.08 -0.80 -0.10 114.38 119.10 2kob h ARG 138 Ca 0.25 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 60.14 2kob h ARG 138 Cb 0.11 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2kob h ARG 138 CO -0.03 0.82 0.53 1.25 -1.07 0.00 0.00 179.97 181.47 2kob h LEU 139 N 0.82 0.85 -0.69 3.04 5.85 -0.71 0.36 115.31 124.83 2kob h LEU 139 Ca 0.17 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 2kob h LEU 139 Cb 0.40 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2kob h LEU 139 CO 0.01 0.55 -0.08 0.00 -0.34 0.00 0.00 178.44 178.59 2kob h ALA 140 N 1.39 0.88 -0.47 1.25 0.00 -1.04 -1.94 119.26 119.33 2kob h ALA 140 Ca 0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2kob h ALA 140 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kob h ALA 140 CO -0.16 0.64 0.14 0.82 0.00 0.00 0.00 179.25 180.70 2kob h ILE 141 N 0.85 1.23 -0.04 0.00 2.04 0.05 0.29 117.51 121.93 2kob h ILE 141 Ca 0.14 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 2kob h ILE 141 Cb 0.61 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2kob h ILE 141 CO 0.04 0.27 -0.12 -0.33 0.00 0.00 0.00 178.15 178.02 2kob h GLU 142 N 0.63 0.05 -0.09 2.37 4.39 -0.13 -0.69 114.58 121.11 2kob h GLU 142 Ca 0.15 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2kob h GLU 142 Cb 0.27 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2kob h GLU 142 CO -0.00 0.17 0.00 0.09 -1.16 0.00 0.00 179.01 178.11 2kob n ASN 143 N -4.37 1.79 -3.69 1.42 5.03 -0.75 -4.93 115.26 109.76 2kob n ASN 143 Ca -0.02 -1.65 -0.26 0.00 0.87 0.00 0.00 54.58 53.53 2kob n ASN 143 Cb 0.21 -0.05 0.06 0.00 -1.02 0.00 0.00 39.78 38.97 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 0.40 -7.05 0.01 3.52 1.74 -0.26 -4.89 116.66 110.11 2kob n ARG 144 Ca 0.18 0.75 -0.06 0.00 -0.77 0.00 0.00 57.85 57.95 2kob n ARG 144 Cb 0.38 -5.74 -0.12 0.00 -1.02 0.00 0.00 32.46 25.96 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 0.99 0.69 -2.31 7.54 0.00 -0.70 -3.48 119.26 122.00 2kob h ALA 145 Ca -0.58 -1.21 -0.09 0.00 0.00 0.00 0.00 54.91 53.04 2kob h ALA 145 Cb 1.37 0.33 -0.21 0.00 0.00 0.00 0.00 17.79 19.29 2kob h ALA 145 CO 0.59 1.34 -0.05 -1.50 0.00 0.00 0.00 179.25 179.64 2kob s ILE 146 N -2.71 0.02 -0.24 0.00 2.07 -1.20 -5.00 121.20 114.14 2kob s ILE 146 Ca -0.03 -0.15 0.13 0.00 -1.41 0.00 0.00 60.65 59.19 2kob s ILE 146 Cb 0.08 -0.80 0.54 0.00 0.13 0.00 0.00 42.46 42.42 2kob s ILE 146 CO 0.82 -0.08 1.49 0.47 -1.91 0.00 0.00 174.94 175.72 2kob n ASP 147 N 1.68 3.46 -4.13 4.50 8.00 -1.26 -3.50 116.55 125.30 2kob n ASP 147 Ca -0.18 -3.32 -0.21 0.00 0.71 0.00 0.00 54.79 51.80 2kob n ASP 147 Cb 0.56 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.92 2kob n ASP 147 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kob s PHE 148 N -3.01 1.22 -0.45 1.24 0.08 -1.26 -5.11 117.98 110.69 2kob s PHE 148 Ca 0.45 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.21 2kob s PHE 148 Cb 0.38 -0.74 0.13 0.00 -0.57 0.00 0.00 43.02 42.22 2kob s PHE 148 CO 0.06 0.02 0.22 1.21 -0.10 0.00 0.00 175.22 176.63 2kob s ASN 149 N -0.88 3.94 0.53 1.36 3.84 -1.26 -4.91 114.94 117.56 2kob s ASN 149 Ca 0.03 -2.65 0.25 0.00 0.21 0.00 0.00 52.86 50.69 2kob s ASN 149 Cb -0.07 -1.24 1.49 0.00 -0.55 0.00 0.00 41.25 40.88 2kob s ASN 149 CO 0.01 -0.27 2.14 -0.65 -2.79 0.00 0.00 177.10 175.53 2kob h PRO 150 N 6.80 0.00 0.00 0.43 0.11 -1.97 -2.37 132.00 135.00 2kob h PRO 150 Ca -0.04 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 2kob h PRO 150 Cb 0.93 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2kob h PRO 150 CO 0.55 0.07 -0.39 0.00 -0.21 0.00 0.00 178.00 178.02 2kob h ALA 151 N 1.93 1.12 0.00 -0.75 0.00 -1.93 -2.34 119.26 117.29 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 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kob h ALA 151 CO 0.01 0.48 0.00 0.22 0.00 0.00 0.00 179.25 179.96 2kob h ASP 152 N 0.00 0.00 0.90 0.00 3.58 -1.80 -2.56 116.42 116.54 2kob h ASP 152 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kob h ASP 152 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2kob h ASP 152 CO 0.05 0.00 -0.18 -1.22 -2.88 0.00 0.00 179.24 175.01 2kob n TYR 153 N -2.72 0.14 -2.28 0.28 4.01 -0.88 -4.80 117.16 110.90 2kob n TYR 153 Ca 0.03 0.04 -0.43 0.00 -0.16 0.00 0.00 57.90 57.38 2kob n TYR 153 Cb 0.39 -0.49 -0.02 0.00 -0.31 0.00 0.00 39.34 38.91 2kob n TYR 153 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2kob s VAL 154 N -3.02 4.00 -0.07 -0.72 1.01 -0.97 -5.00 120.40 115.63 2kob s VAL 154 Ca 0.12 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.08 2kob s VAL 154 Cb 0.17 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2kob s VAL 154 CO 0.60 -0.23 0.56 -0.13 0.00 0.00 0.00 175.10 175.89 2kob s ARG 155 N 4.00 4.34 -0.31 2.72 1.81 -1.26 -5.05 118.95 125.20 2kob s ARG 155 Ca 0.62 0.62 -0.19 0.00 -1.72 0.00 0.00 55.73 55.06 2kob s ARG 155 Cb -0.23 -3.41 -0.01 0.00 -0.45 0.00 0.00 34.95 30.85 2kob s ARG 155 CO 0.22 0.21 0.56 0.42 -0.68 0.00 0.00 175.30 176.04 2kob s ILE 156 N 0.39 4.99 0.10 1.52 1.09 -1.26 -5.00 121.20 123.03 2kob s ILE 156 Ca 0.30 0.68 -0.36 0.00 -1.10 0.00 0.00 60.65 60.17 2kob s ILE 156 Cb -0.17 -3.95 -0.16 0.00 -1.06 0.00 0.00 42.46 37.12 2kob s ILE 156 CO 0.14 -0.12 1.33 -0.81 -0.10 0.00 0.00 174.94 175.38 2kob n PRO 157 N 5.77 1.20 -0.90 2.79 -0.04 -1.26 -4.83 135.00 137.72 2kob n PRO 157 Ca -0.03 0.43 -0.17 0.00 -0.04 0.00 0.00 63.50 63.70 2kob n PRO 157 Cb 0.49 -2.06 0.03 0.00 -0.04 0.00 0.00 33.50 31.92 2kob n PRO 157 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kob n LYS 158 N 2.47 1.81 -1.70 0.54 5.02 -1.26 -4.73 118.16 120.30 2kob n LYS 158 Ca 0.18 -1.55 -0.42 0.00 -2.02 0.00 0.00 58.31 54.50 2kob n LYS 158 Cb 0.20 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 0.39 3.62 -3.87 -0.18 5.41 -1.26 -4.85 119.36 118.63 2kob n ILE 159 Ca 0.30 -3.03 -0.35 0.00 1.00 0.00 0.00 62.75 60.67 2kob n ILE 159 Cb 0.58 -2.60 -0.13 0.00 -0.71 0.00 0.00 39.64 36.78 2kob n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kob s ALA 160 N 2.90 2.94 -2.45 -1.39 0.00 -1.26 -4.93 121.76 117.56 2kob s ALA 160 Ca 0.50 -2.11 0.23 0.00 0.00 0.00 0.00 51.96 50.57 2kob s ALA 160 Cb 0.14 -2.11 0.57 0.00 0.00 0.00 0.00 23.12 21.72 2kob s ALA 160 CO -0.08 -1.50 1.46 1.28 0.00 0.00 0.00 175.76 176.92 2kob n LEU 161 N 4.57 2.57 -4.75 0.00 4.77 -1.26 -4.92 117.00 117.98 2kob n LEU 161 Ca -0.08 -1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 54.43 2kob n LEU 161 Cb 0.42 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2kob n LEU 161 CO 0.28 0.53 1.07 -1.61 -1.33 0.00 0.00 177.39 176.33 2kob s GLU 162 N -1.70 4.29 -0.81 3.23 2.02 -1.26 -4.90 118.70 119.58 2kob s GLU 162 Ca 0.35 2.26 -0.06 0.00 0.02 0.00 0.00 54.97 57.54 2kob s GLU 162 Cb 0.20 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 2kob s GLU 162 CO 0.29 -0.36 2.92 0.72 0.02 0.00 0.00 175.26 178.86 2kob n HIS 163 N 2.03 1.63 -0.39 1.61 8.25 -1.26 -4.36 115.22 122.73 2kob n HIS 163 Ca 0.05 -2.30 0.10 0.00 -0.26 0.00 0.00 57.72 55.31 2kob n HIS 163 Cb 0.41 -1.78 0.29 0.00 1.12 0.00 0.00 29.99 30.02 2kob n HIS 163 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kob n HIS 164 N 2.05 0.95 -4.38 4.41 -0.00 -1.26 -4.91 115.22 112.07 2kob n HIS 164 Ca 0.57 -0.53 -0.29 0.00 -0.00 0.00 0.00 57.72 57.47 2kob n HIS 164 Cb 0.50 -0.06 -0.13 0.00 -0.00 0.00 0.00 29.99 30.30 2kob n HIS 164 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kob s HIS 165 N -1.22 2.36 -0.50 1.57 3.76 -1.26 -5.10 115.29 114.90 2kob s HIS 165 Ca 0.43 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 55.02 2kob s HIS 165 Cb 0.24 -1.27 0.13 0.00 1.11 0.00 0.00 32.58 32.79 2kob s HIS 165 CO 0.27 0.35 0.26 -3.38 -0.85 0.00 0.00 174.74 171.39 2kob s HIS 166 N -1.08 2.78 -0.12 1.40 -3.43 -1.26 -5.06 115.29 108.53 2kob s HIS 166 Ca 0.15 -2.93 -0.22 0.00 -0.80 0.00 0.00 55.06 51.25 2kob s HIS 166 Cb -0.10 -2.49 0.05 0.00 -1.43 0.00 0.00 32.58 28.61 2kob s HIS 166 CO 0.07 -0.75 0.55 -3.38 -2.00 0.00 0.00 174.74 169.23 2kob s HIS 167 N -0.13 -0.55 -2.96 0.38 -3.43 -1.26 -5.32 115.29 102.02 2kob s HIS 167 Ca 0.18 1.15 0.24 0.00 -0.80 0.00 0.00 55.06 55.83 2kob s HIS 167 Cb -0.24 0.25 0.26 0.00 -1.43 0.00 0.00 32.58 31.41 2kob s HIS 167 CO -0.01 -0.42 1.30 0.72 -2.00 0.00 0.00 174.74 174.33