#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 2.52 0.12 0.55 -4.77 -1.26 -5.08 116.67 108.74 2kob s ASP 62 Ca 0.00 -0.64 0.11 0.00 -3.30 0.00 0.00 52.55 48.72 2kob s ASP 62 Cb 0.00 -0.45 -0.04 0.00 -1.09 0.00 0.00 42.92 41.34 2kob s ASP 62 CO 0.00 -0.31 -0.26 -0.44 0.70 0.00 0.00 175.17 174.87 2kob s SER 63 N 1.97 3.39 0.04 2.11 0.01 -1.26 0.53 113.70 120.49 2kob s SER 63 Ca 0.01 -0.71 -0.24 0.00 1.31 0.00 0.00 55.95 56.32 2kob s SER 63 Cb -0.16 -0.27 -0.17 0.00 0.21 0.00 0.00 66.02 65.62 2kob s SER 63 CO -0.08 0.19 1.52 0.15 0.41 0.00 0.00 173.24 175.43 2kob h PHE 64 N 3.94 -0.04 0.00 2.43 3.57 -1.56 -1.79 116.94 123.49 2kob h PHE 64 Ca -0.50 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 60.97 2kob h PHE 64 Cb 1.17 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 2kob h PHE 64 CO 0.59 0.18 -0.11 0.78 -2.23 0.00 0.00 178.31 177.52 2kob h GLY 65 N -0.25 0.00 0.87 2.40 0.00 -1.67 0.24 103.07 104.65 2kob h GLY 65 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2kob h GLY 65 CO 0.01 0.00 -0.14 -1.80 0.00 0.00 0.00 176.54 174.61 2kob h ASP 66 N 0.00 -0.33 0.97 0.19 1.82 -1.73 -0.99 116.42 116.35 2kob h ASP 66 Ca -0.00 -0.08 -0.12 0.00 -0.39 0.00 0.00 57.03 56.44 2kob h ASP 66 Cb 0.23 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 2kob h ASP 66 CO 0.01 -0.12 -0.55 -0.50 -1.61 0.00 0.00 179.24 176.47 2kob h TRP 67 N -0.52 0.00 -0.14 0.28 4.06 -1.00 -2.64 115.95 115.98 2kob h TRP 67 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2kob h TRP 67 Cb 0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 2kob h TRP 67 CO -0.02 0.55 0.09 0.00 -3.56 0.00 0.00 178.44 175.50 2kob h ALA 68 N 1.45 0.18 -0.67 1.49 0.00 -0.44 0.37 119.26 121.64 2kob h ALA 68 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2kob h ALA 68 Cb 1.19 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2kob h ALA 68 CO 0.07 -0.32 0.37 1.49 0.00 0.00 0.00 179.25 180.86 2kob h GLU 69 N 0.18 0.66 -0.46 0.00 4.57 -1.08 0.27 114.58 118.72 2kob h GLU 69 Ca 0.05 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2kob h GLU 69 Cb -0.00 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2kob h GLU 69 CO -0.01 0.44 0.26 0.87 -1.18 0.00 0.00 179.01 179.39 2kob h LYS 70 N 0.68 0.63 -0.45 1.92 1.57 -1.07 -0.43 116.57 119.42 2kob h LYS 70 Ca 0.30 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2kob h LYS 70 Cb 0.19 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2kob h LYS 70 CO -0.18 0.48 0.01 0.35 -0.57 0.00 0.00 179.45 179.54 2kob h PHE 71 N 0.60 0.86 -0.00 -1.35 3.57 0.43 -0.30 116.94 120.74 2kob h PHE 71 Ca 0.16 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2kob h PHE 71 Cb 0.03 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 2kob h PHE 71 CO -0.03 0.83 0.00 -0.07 -2.23 0.00 0.00 178.31 176.82 2kob h LEU 72 N 0.64 0.01 -0.92 0.59 3.38 -0.34 -1.08 115.31 117.59 2kob h LEU 72 Ca 0.13 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2kob h LEU 72 Cb 0.48 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2kob h LEU 72 CO 0.02 0.19 -0.44 0.50 0.09 0.00 0.00 178.44 178.81 2kob h LYS 73 N -0.18 0.22 -0.07 1.13 3.64 -1.03 0.15 116.57 120.44 2kob h LYS 73 Ca 0.00 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 2kob h LYS 73 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2kob h LYS 73 CO -0.00 0.62 -0.55 0.66 -2.27 0.00 0.00 179.45 177.92 2kob h SER 74 N 0.19 0.22 0.02 4.20 4.64 -0.99 -2.36 113.55 119.47 2kob h SER 74 Ca 0.01 -0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 61.07 2kob h SER 74 Cb 0.85 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 2kob h SER 74 CO 0.07 0.73 -0.50 0.11 -0.87 0.00 0.00 176.83 176.37 2kob h LYS 75 N 0.16 0.54 -0.61 4.77 1.79 -0.47 0.31 116.57 123.05 2kob h LYS 75 Ca 0.00 -0.32 0.06 0.00 -2.18 0.00 0.00 60.65 58.22 2kob h LYS 75 Cb 1.01 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.63 2kob h LYS 75 CO 0.08 0.92 0.31 1.49 -1.08 0.00 0.00 179.45 181.17 2kob h GLU 76 N 0.43 0.56 0.00 3.15 4.81 -0.43 -1.49 114.58 121.61 2kob h GLU 76 Ca 0.02 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2kob h GLU 76 Cb 1.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2kob h GLU 76 CO 0.09 0.37 -0.49 0.00 -0.73 0.00 0.00 179.01 178.25 2kob h ALA 77 N 1.35 0.72 0.27 2.92 0.00 -1.32 -3.34 119.26 119.85 2kob h ALA 77 Ca 0.28 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kob h ALA 77 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kob h ALA 77 CO -0.20 0.53 -0.25 0.22 0.00 0.00 0.00 179.25 179.54 2kob h ASP 78 N 0.00 -0.66 0.00 0.00 3.58 0.60 -3.46 116.42 116.48 2kob h ASP 78 Ca -0.01 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2kob h ASP 78 Cb 1.32 0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.60 2kob h ASP 78 CO 0.05 -0.37 0.00 0.61 -2.88 0.00 0.00 179.24 176.65 2kob n GLY 79 N -1.37 -0.51 3.36 -0.78 0.00 -0.78 -5.06 105.19 100.04 2kob n GLY 79 Ca -0.09 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 2.11 0.82 1.61 -7.23 -1.20 -5.07 120.40 111.45 2kob s VAL 80 Ca 0.00 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 2kob s VAL 80 Cb 0.00 -1.86 0.11 0.00 0.56 0.00 0.00 36.38 35.19 2kob s VAL 80 CO 0.00 0.11 1.17 -0.94 -0.31 0.00 0.00 175.10 175.13 2kob s SER 81 N -1.86 4.16 0.26 4.85 1.04 -1.26 -4.85 113.70 116.03 2kob s SER 81 Ca 0.12 0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.99 2kob s SER 81 Cb -0.10 -0.88 0.33 0.00 0.10 0.00 0.00 66.02 65.47 2kob s SER 81 CO 0.05 -2.08 1.91 1.62 0.98 0.00 0.00 173.24 175.72 2kob h VAL 82 N -1.09 1.18 -0.28 5.02 3.04 -2.00 -1.45 116.25 120.66 2kob h VAL 82 Ca -0.45 -0.44 -0.03 0.00 -1.01 0.00 0.00 66.70 64.77 2kob h VAL 82 Cb 1.30 -0.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.35 2kob h VAL 82 CO 0.55 0.23 0.03 -1.28 -1.01 0.00 0.00 177.57 176.09 2kob h SER 83 N 1.27 0.38 0.45 3.17 0.87 -1.98 0.22 113.55 117.93 2kob h SER 83 Ca 0.40 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 2kob h SER 83 Cb -0.00 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2kob h SER 83 CO -0.12 0.43 -0.21 1.56 -0.53 0.00 0.00 176.83 177.95 2kob h GLN 84 N 0.41 -0.58 -1.00 2.24 1.08 -1.65 -2.35 115.11 113.27 2kob h GLN 84 Ca 0.09 0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.37 2kob h GLN 84 Cb 0.23 0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 2kob h GLN 84 CO 0.00 -0.28 0.66 1.25 -0.95 0.00 0.00 178.83 179.51 2kob h LEU 85 N -1.02 1.10 -1.14 1.46 7.12 -1.17 0.14 115.31 121.81 2kob h LEU 85 Ca -0.06 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.88 2kob h LEU 85 Cb 0.56 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.42 2kob h LEU 85 CO 0.10 0.76 0.06 -1.13 -0.13 0.00 0.00 178.44 178.10 2kob h ASN 86 N 1.28 0.62 0.41 1.25 -1.24 -0.63 0.13 115.58 117.40 2kob h ASN 86 Ca 0.39 -0.11 -0.28 0.00 0.71 0.00 0.00 56.30 57.01 2kob h ASN 86 Cb -0.03 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 38.87 2kob h ASN 86 CO -0.12 0.65 -1.21 0.77 -1.29 0.00 0.00 177.43 176.24 2kob h SER 87 N 0.64 0.60 -0.36 1.15 4.64 -0.64 -0.78 113.55 118.81 2kob h SER 87 Ca 0.14 -0.59 0.04 0.00 -0.47 0.00 0.00 61.79 60.92 2kob h SER 87 Cb 0.31 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 2kob h SER 87 CO 0.00 1.43 0.12 1.88 -0.87 0.00 0.00 176.83 179.39 2kob h TYR 88 N 0.16 0.21 -0.59 4.77 0.05 -0.43 -0.96 116.97 120.19 2kob h TYR 88 Ca -0.15 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.59 2kob h TYR 88 Cb 1.89 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 39.57 2kob h TYR 88 CO 0.08 0.08 0.14 -0.22 -1.05 0.00 0.00 178.16 177.19 2kob h LYS 89 N 0.26 0.94 -0.33 4.88 3.64 -0.99 -2.34 116.57 122.64 2kob h LYS 89 Ca 0.17 -0.23 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2kob h LYS 89 Cb 0.15 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 2kob h LYS 89 CO -0.18 0.87 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.82 2kob h ASN 90 N 0.85 -0.31 -0.10 4.20 -1.24 -0.64 0.41 115.58 118.75 2kob h ASN 90 Ca 0.18 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.29 2kob h ASN 90 Cb 0.36 0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.61 2kob h ASN 90 CO 0.00 -0.11 0.06 1.88 -1.29 0.00 0.00 177.43 177.98 2kob h TYR 91 N -0.00 0.13 0.00 0.67 0.05 -1.04 -2.34 116.97 114.44 2kob h TYR 91 Ca 0.16 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 2kob h TYR 91 Cb 0.24 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 2kob h TYR 91 CO -0.31 0.10 -0.28 0.00 -1.05 0.00 0.00 178.16 176.63 2kob h ARG 93 N 0.00 -0.04 0.00 0.00 2.43 0.08 -3.26 114.38 113.59 2kob h ARG 93 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 2kob h ARG 93 Cb 0.77 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 2kob h ARG 93 CO 0.04 0.65 -2.18 -1.71 -1.51 0.00 0.00 179.97 175.25 2kob n ASN 94 N -4.73 1.84 0.14 -3.80 4.05 -0.91 -3.63 115.26 108.22 2kob n ASN 94 Ca -0.08 -0.07 0.09 0.00 0.45 0.00 0.00 54.58 54.97 2kob n ASN 94 Cb 0.34 0.11 0.05 0.00 1.23 0.00 0.00 39.78 41.51 2kob n ASN 94 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 177.26 174.66 2kob h HIS 95 N 0.00 0.00 -0.09 1.20 3.86 -1.19 -3.26 115.15 115.67 2kob h HIS 95 Ca -0.47 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.72 2kob h HIS 95 Cb 1.84 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.29 2kob h HIS 95 CO 0.02 0.11 -0.16 1.28 0.86 0.00 0.00 177.93 180.04 2kob n LEU 96 N -2.90 2.95 -0.23 2.43 4.77 -0.37 -4.80 117.00 118.85 2kob n LEU 96 Ca 0.00 -3.44 -0.06 0.00 -0.03 0.00 0.00 56.01 52.49 2kob n LEU 96 Cb 0.59 -0.51 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2kob n LEU 96 CO 0.38 1.00 1.10 0.77 -1.33 0.00 0.00 177.39 179.31 2kob h SER 97 N 0.71 0.79 0.52 -1.43 4.64 -1.61 0.33 113.55 117.50 2kob h SER 97 Ca 0.03 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2kob h SER 97 Cb 1.16 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2kob h SER 97 CO 0.09 0.63 0.00 -0.65 -0.87 0.00 0.00 176.83 176.03 2kob h PRO 98 N 0.88 0.00 0.01 4.77 0.11 -1.87 -2.75 132.00 133.15 2kob h PRO 98 Ca 0.23 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.97 2kob h PRO 98 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2kob h PRO 98 CO -0.04 0.00 -2.32 1.28 -0.21 0.00 0.00 178.00 176.71 2kob n LEU 99 N -2.30 1.17 -0.27 2.35 4.77 -0.80 -4.35 117.00 117.57 2kob n LEU 99 Ca 0.01 0.02 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 2kob n LEU 99 Cb 0.17 -0.07 0.17 0.00 -2.33 0.00 0.00 43.42 41.36 2kob n LEU 99 CO 0.17 0.64 1.08 0.22 -1.33 0.00 0.00 177.39 178.18 2kob h TYR 100 N 0.00 0.69 0.00 -1.77 5.03 -0.64 -0.93 116.97 119.36 2kob h TYR 100 Ca -0.52 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.82 2kob h TYR 100 Cb 2.10 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 40.19 2kob h TYR 100 CO 0.01 0.23 -0.01 0.52 -1.32 0.00 0.00 178.16 177.58 2kob h MET 101 N 0.63 0.00 -6.65 1.82 2.86 -1.79 -2.57 114.93 109.23 2kob h MET 101 Ca 0.39 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.52 2kob h MET 101 Cb 0.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2kob h MET 101 CO -0.30 0.00 -0.01 0.15 1.06 0.00 0.00 176.91 177.81 2kob s LYS 102 N -3.13 3.75 0.50 1.72 1.02 -0.35 -4.96 119.74 118.29 2kob s LYS 102 Ca 0.10 0.30 -0.21 0.00 0.02 0.00 0.00 55.97 56.17 2kob s LYS 102 Cb 0.10 -2.52 -0.07 0.00 -0.52 0.00 0.00 37.83 34.83 2kob s LYS 102 CO 0.62 0.12 1.15 -1.12 -0.92 0.00 0.00 175.35 175.20 2kob s SER 103 N -2.97 5.96 0.07 2.83 0.01 -1.26 -1.86 113.70 116.48 2kob s SER 103 Ca 0.48 2.25 -0.31 0.00 1.31 0.00 0.00 55.95 59.68 2kob s SER 103 Cb -0.11 -2.59 -0.18 0.00 0.21 0.00 0.00 66.02 63.35 2kob s SER 103 CO 0.28 -1.06 1.65 0.25 0.41 0.00 0.00 173.24 174.77 2kob h LEU 104 N 1.65 -0.63 -0.19 2.44 5.85 -0.14 -2.02 115.31 122.26 2kob h LEU 104 Ca -0.50 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2kob h LEU 104 Cb 1.25 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2kob h LEU 104 CO 0.59 -0.44 0.00 -0.24 -0.34 0.00 0.00 178.44 178.00 2kob n SER 105 N -5.41 0.28 0.07 1.25 2.88 -1.26 -2.35 113.62 109.09 2kob n SER 105 Ca -0.12 0.56 0.12 0.00 -1.33 0.00 0.00 58.87 58.09 2kob n SER 105 Cb 0.30 -0.62 0.16 0.00 -0.75 0.00 0.00 64.21 63.30 2kob n SER 105 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2kob h GLU 106 N 0.00 0.00 -6.51 -1.46 4.39 -1.71 -3.46 114.58 105.83 2kob h GLU 106 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2kob h GLU 106 Cb 0.39 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2kob h GLU 106 CO 0.00 0.00 0.73 0.42 -1.16 0.00 0.00 179.01 179.00 2kob s ILE 107 N -3.19 3.43 0.20 3.13 1.01 -0.93 -4.94 121.20 119.91 2kob s ILE 107 Ca 0.06 1.01 -0.16 0.00 0.00 0.00 0.00 60.65 61.56 2kob s ILE 107 Cb 0.13 -3.65 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 2kob s ILE 107 CO 0.73 0.07 0.63 -0.76 0.00 0.00 0.00 174.94 175.60 2kob s LEU 108 N 1.30 4.29 0.50 2.97 1.43 -1.26 -4.96 118.68 122.94 2kob s LEU 108 Ca 0.64 1.19 0.22 0.00 -1.03 0.00 0.00 54.13 55.15 2kob s LEU 108 Cb -0.35 -3.52 1.29 0.00 0.03 0.00 0.00 46.19 43.64 2kob s LEU 108 CO 0.30 0.02 2.00 -0.65 0.23 0.00 0.00 176.35 178.25 2kob h PRO 109 N 3.23 0.11 -0.75 1.29 0.11 -1.95 -1.05 132.00 132.99 2kob h PRO 109 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2kob h PRO 109 Cb 1.19 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 2kob h PRO 109 CO 0.66 0.07 0.44 0.00 -0.21 0.00 0.00 178.00 178.96 2kob h ALA 110 N 1.74 1.36 0.54 -0.75 0.00 -1.95 -1.41 119.26 118.80 2kob h ALA 110 Ca 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2kob h ALA 110 Cb 0.83 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kob h ALA 110 CO -0.03 0.55 -0.33 -0.44 0.00 0.00 0.00 179.25 178.99 2kob h ASP 111 N 1.04 -0.84 -0.44 0.00 3.32 -1.58 0.13 116.42 118.05 2kob h ASP 111 Ca 0.27 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 2kob h ASP 111 Cb -0.02 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2kob h ASP 111 CO -0.05 -0.52 0.06 0.40 -1.72 0.00 0.00 179.24 177.40 2kob h ILE 112 N -0.83 1.25 -0.80 0.35 2.04 -1.57 -2.02 117.51 115.93 2kob h ILE 112 Ca -0.06 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 2kob h ILE 112 Cb 0.68 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 2kob h ILE 112 CO 0.06 0.32 0.41 -0.61 0.00 0.00 0.00 178.15 178.34 2kob h GLN 113 N 0.60 1.13 -0.40 2.37 5.75 -1.19 -1.48 115.11 121.89 2kob h GLN 113 Ca 0.13 -0.15 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2kob h GLN 113 Cb 0.41 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2kob h GLN 113 CO 0.01 0.86 0.25 1.03 -2.65 0.00 0.00 178.83 178.33 2kob h SER 114 N 1.12 0.41 0.68 -0.69 0.87 -0.47 -0.34 113.55 115.13 2kob h SER 114 Ca 0.28 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 2kob h SER 114 Cb 0.07 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2kob h SER 114 CO -0.04 0.30 -0.38 0.40 -0.53 0.00 0.00 176.83 176.58 2kob h ILE 115 N 0.50 0.22 -0.89 2.23 2.04 -0.90 -2.47 117.51 118.25 2kob h ILE 115 Ca 0.15 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.07 2kob h ILE 115 Cb -0.02 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 2kob h ILE 115 CO -0.06 0.00 0.58 0.40 0.00 0.00 0.00 178.15 179.07 2kob h ILE 116 N -0.99 1.09 -0.53 -0.67 1.08 -1.20 0.07 117.51 116.37 2kob h ILE 116 Ca -0.09 -0.36 -0.09 0.00 -0.39 0.00 0.00 64.86 63.94 2kob h ILE 116 Cb 0.78 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 2kob h ILE 116 CO 0.11 0.19 -0.02 -1.13 -0.69 0.00 0.00 178.15 176.61 2kob h ASN 117 N 1.04 0.89 0.22 1.72 -1.24 -0.88 -3.07 115.58 114.26 2kob h ASN 117 Ca 0.37 -0.24 0.00 0.00 0.71 0.00 0.00 56.30 57.14 2kob h ASN 117 Cb 0.14 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.96 2kob h ASN 117 CO -0.13 0.97 -1.02 -1.84 -1.29 0.00 0.00 177.43 174.11 2kob n GLU 118 N -4.18 0.15 -2.07 6.67 0.28 -0.95 -4.86 120.64 115.69 2kob n GLU 118 Ca 0.02 -0.02 -0.43 0.00 -0.16 0.00 0.00 57.16 56.58 2kob n GLU 118 Cb 0.34 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.65 2kob n GLU 118 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2kob s THR 119 N -3.11 3.62 -1.14 3.84 2.01 -0.03 -4.92 115.64 115.91 2kob s THR 119 Ca 0.06 0.68 -0.12 0.00 0.31 0.00 0.00 61.69 62.61 2kob s THR 119 Cb 0.16 -3.67 0.21 0.00 0.01 0.00 0.00 72.50 69.20 2kob s THR 119 CO 0.82 -0.32 1.27 -0.54 -0.69 0.00 0.00 174.62 175.17 2kob s LYS 120 N 4.93 4.08 0.22 4.92 1.02 -1.26 -4.94 119.74 128.71 2kob s LYS 120 Ca 0.74 -2.75 0.03 0.00 0.02 0.00 0.00 55.97 54.01 2kob s LYS 120 Cb -0.25 -4.85 -0.01 0.00 -0.52 0.00 0.00 37.83 32.21 2kob s LYS 120 CO 0.31 -1.56 0.11 1.28 -0.92 0.00 0.00 175.35 174.57 2kob n LEU 121 N 4.58 0.00 -4.79 3.17 4.77 -1.26 -5.15 117.00 118.32 2kob n LEU 121 Ca 0.30 -1.79 -0.32 0.00 -0.03 0.00 0.00 56.01 54.17 2kob n LEU 121 Cb 0.42 0.72 0.06 0.00 -2.33 0.00 0.00 43.42 42.29 2kob n LEU 121 CO 0.55 -0.28 0.71 0.00 -1.33 0.00 0.00 177.39 177.03 2kob s ALA 122 N -2.68 2.48 0.25 -1.18 0.00 -1.26 -4.82 121.76 114.54 2kob s ALA 122 Ca 0.16 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.34 2kob s ALA 122 Cb 0.01 -3.25 0.25 0.00 0.00 0.00 0.00 23.12 20.13 2kob s ALA 122 CO 0.11 -1.40 1.92 0.87 0.00 0.00 0.00 175.76 177.27 2kob h LYS 123 N -0.58 1.30 -0.01 0.00 1.57 -2.00 -0.12 116.57 116.74 2kob h LYS 123 Ca -0.45 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.11 2kob h LYS 123 Cb 1.23 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2kob h LYS 123 CO 0.54 0.86 -0.67 -2.95 -0.57 0.00 0.00 179.45 176.66 2kob h ASN 124 N 1.34 0.05 -0.30 0.86 -1.07 -1.99 -2.66 115.58 111.80 2kob h ASN 124 Ca 0.36 -0.03 -0.15 0.00 0.07 0.00 0.00 56.30 56.55 2kob h ASN 124 Cb -0.15 -0.01 -0.00 0.00 -2.07 0.00 0.00 38.32 36.08 2kob h ASN 124 CO -0.08 0.71 -0.41 0.74 0.07 0.00 0.00 177.43 178.46 2kob h THR 125 N 0.03 1.29 -0.54 6.14 2.02 -1.66 -1.60 112.91 118.59 2kob h THR 125 Ca -0.01 -1.59 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 2kob h THR 125 Cb 1.19 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 2kob h THR 125 CO 0.09 0.52 0.29 -0.07 0.37 0.00 0.00 175.52 176.72 2kob h LEU 126 N 0.58 0.68 -0.81 2.58 3.38 -1.00 -2.22 115.31 118.50 2kob h LEU 126 Ca 0.03 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2kob h LEU 126 Cb 1.00 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2kob h LEU 126 CO 0.10 0.58 0.15 0.11 0.09 0.00 0.00 178.44 179.47 2kob h LYS 127 N 0.72 1.04 -0.60 1.13 1.57 -1.43 -2.39 116.57 116.61 2kob h LYS 127 Ca 0.19 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2kob h LYS 127 Cb 0.06 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2kob h LYS 127 CO -0.03 0.93 0.36 0.00 -0.57 0.00 0.00 179.45 180.14 2kob h ALA 128 N 1.17 0.78 -0.19 3.86 0.00 -0.89 0.32 119.26 124.31 2kob h ALA 128 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2kob h ALA 128 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kob h ALA 128 CO 0.00 0.08 0.10 0.82 0.00 0.00 0.00 179.25 180.26 2kob h ILE 129 N 0.70 1.12 -0.43 0.00 2.04 -1.19 -1.01 117.51 118.74 2kob h ILE 129 Ca 0.25 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 2kob h ILE 129 Cb 0.05 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2kob h ILE 129 CO -0.12 0.11 0.08 -0.09 0.00 0.00 0.00 178.15 178.14 2kob h ARG 130 N 0.20 0.70 -0.48 2.37 2.43 -0.96 -2.04 114.38 116.60 2kob h ARG 130 Ca 0.07 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2kob h ARG 130 Cb 0.09 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2kob h ARG 130 CO -0.01 0.73 0.24 -0.97 -1.51 0.00 0.00 179.97 178.45 2kob h ASN 131 N 0.57 0.61 -0.26 -3.80 -1.24 -0.27 0.28 115.58 111.48 2kob h ASN 131 Ca 0.13 -0.12 0.02 0.00 0.71 0.00 0.00 56.30 57.05 2kob h ASN 131 Cb 0.35 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.22 2kob h ASN 131 CO 0.01 0.56 0.10 0.74 -1.29 0.00 0.00 177.43 177.54 2kob h THR 132 N 0.63 0.95 -0.61 -3.57 2.02 -1.04 -0.08 112.91 111.21 2kob h THR 132 Ca 0.17 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 2kob h THR 132 Cb 0.10 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2kob h THR 132 CO -0.02 0.04 0.08 0.00 0.37 0.00 0.00 175.52 175.98 2kob h ALA 133 N 1.15 0.99 -0.73 6.16 0.00 -1.10 -2.36 119.26 123.38 2kob h ALA 133 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2kob h ALA 133 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2kob h ALA 133 CO -0.10 0.63 0.39 1.03 0.00 0.00 0.00 179.25 181.20 2kob h SER 134 N 0.94 0.92 0.25 0.00 0.87 0.14 -1.16 113.55 115.49 2kob h SER 134 Ca 0.18 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 2kob h SER 134 Cb 0.44 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2kob h SER 134 CO 0.01 0.76 -0.31 1.56 -0.53 0.00 0.00 176.83 178.32 2kob h GLN 135 N 1.00 0.11 0.07 2.24 4.20 -0.81 0.19 115.11 122.10 2kob h GLN 135 Ca 0.25 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 2kob h GLN 135 Cb 0.05 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2kob h GLN 135 CO -0.04 0.41 -0.03 0.82 -0.67 0.00 0.00 178.83 179.32 2kob h ILE 136 N 0.10 1.12 -0.63 2.54 2.04 -0.80 -0.03 117.51 121.85 2kob h ILE 136 Ca 0.01 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 2kob h ILE 136 Cb 0.61 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2kob h ILE 136 CO 0.04 0.16 0.25 -0.26 0.00 0.00 0.00 178.15 178.35 2kob h PHE 137 N -0.39 0.92 -0.57 1.37 0.04 -1.08 -2.35 116.94 114.88 2kob h PHE 137 Ca -0.01 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2kob h PHE 137 Cb 0.34 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 2kob h PHE 137 CO 0.02 0.71 0.38 -0.09 -0.60 0.00 0.00 178.31 178.73 2kob h ARG 138 N 0.90 0.76 -0.49 1.51 2.43 -0.48 0.10 114.38 119.11 2kob h ARG 138 Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2kob h ARG 138 Cb 0.18 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2kob h ARG 138 CO -0.02 0.51 0.31 1.25 -1.51 0.00 0.00 179.97 180.50 2kob h LEU 139 N 0.78 0.57 -0.49 3.80 5.85 -0.59 -1.58 115.31 123.64 2kob h LEU 139 Ca 0.21 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 2kob h LEU 139 Cb -0.08 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2kob h LEU 139 CO -0.04 0.43 -0.66 0.00 -0.34 0.00 0.00 178.44 177.82 2kob h ALA 140 N 1.67 0.68 -0.00 1.25 0.00 -0.80 -2.48 119.26 119.58 2kob h ALA 140 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kob h ALA 140 Cb -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2kob h ALA 140 CO -0.04 0.74 0.00 0.82 0.00 0.00 0.00 179.25 180.78 2kob h ILE 141 N 0.28 1.01 0.00 0.00 2.04 -0.06 0.43 117.51 121.22 2kob h ILE 141 Ca -0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2kob h ILE 141 Cb 1.21 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2kob h ILE 141 CO 0.11 0.01 0.00 1.05 0.00 0.00 0.00 178.15 179.32 2kob h GLU 142 N -0.01 0.00 -0.42 2.37 4.11 -1.41 -0.41 114.58 118.81 2kob h GLU 142 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kob h GLU 142 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2kob h GLU 142 CO -0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 2kob n ASN 143 N -2.90 3.21 -2.68 3.06 3.02 -0.94 -4.95 115.26 113.09 2kob n ASN 143 Ca 0.01 -1.96 -0.22 0.00 -0.03 0.00 0.00 54.58 52.39 2kob n ASN 143 Cb 0.29 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.19 2kob n ASN 143 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kob n ARG 144 N 1.31 -3.22 0.00 3.52 1.74 0.15 -4.86 116.66 115.30 2kob n ARG 144 Ca 0.20 0.97 -0.11 0.00 -0.77 0.00 0.00 57.85 58.13 2kob n ARG 144 Cb 0.55 -5.73 -0.14 0.00 -1.02 0.00 0.00 32.46 26.13 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 1.00 0.62 -3.18 7.54 0.00 -0.48 -3.47 119.26 121.29 2kob h ALA 145 Ca -0.51 -1.36 -0.18 0.00 0.00 0.00 0.00 54.91 52.86 2kob h ALA 145 Cb 1.37 0.43 -0.24 0.00 0.00 0.00 0.00 17.79 19.34 2kob h ALA 145 CO 0.58 1.46 -0.58 -1.50 0.00 0.00 0.00 179.25 179.22 2kob s ILE 146 N -2.61 0.04 -2.76 0.00 2.07 -1.18 -4.91 121.20 111.86 2kob s ILE 146 Ca -0.07 -0.35 0.25 0.00 -1.41 0.00 0.00 60.65 59.08 2kob s ILE 146 Cb 0.08 -0.26 0.28 0.00 0.13 0.00 0.00 42.46 42.69 2kob s ILE 146 CO 0.82 -0.19 1.39 -0.67 -1.91 0.00 0.00 174.94 174.38 2kob n ASP 147 N 2.33 2.46 -4.00 4.50 2.03 -1.26 -3.51 116.55 119.10 2kob n ASP 147 Ca -0.17 -1.80 -0.09 0.00 0.52 0.00 0.00 54.79 53.25 2kob n ASP 147 Cb 0.57 0.03 -0.08 0.00 -0.72 0.00 0.00 41.12 40.93 2kob n ASP 147 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2kob s PHE 148 N -2.05 0.47 -0.52 -0.67 -0.71 -1.26 -5.05 117.98 108.20 2kob s PHE 148 Ca 0.30 -0.88 0.04 0.00 -1.04 0.00 0.00 56.93 55.35 2kob s PHE 148 Cb 0.20 -0.21 0.13 0.00 -1.21 0.00 0.00 43.02 41.93 2kob s PHE 148 CO 0.33 -0.58 0.26 1.21 -1.34 0.00 0.00 175.22 175.11 2kob s ASN 149 N -2.96 4.27 0.56 1.98 3.84 -1.26 -4.89 114.94 116.48 2kob s ASN 149 Ca 0.15 -3.01 0.33 0.00 0.21 0.00 0.00 52.86 50.54 2kob s ASN 149 Cb 0.05 -1.60 1.60 0.00 -0.55 0.00 0.00 41.25 40.75 2kob s ASN 149 CO -0.04 -0.23 2.09 1.55 -2.79 0.00 0.00 177.10 177.68 2kob h PRO 150 N 6.49 0.00 -0.02 0.43 0.13 -1.97 -2.24 132.00 134.82 2kob h PRO 150 Ca -0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.94 2kob h PRO 150 Cb 0.89 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 2kob h PRO 150 CO 0.68 0.06 -0.53 0.00 -0.23 0.00 0.00 178.00 177.98 2kob h ALA 151 N 1.94 1.07 0.00 -0.56 0.00 -1.92 -1.96 119.26 117.83 2kob h ALA 151 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kob h ALA 151 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kob h ALA 151 CO 0.01 0.67 0.00 0.22 0.00 0.00 0.00 179.25 180.15 2kob h ASP 152 N 0.05 0.00 1.38 0.00 1.82 -1.74 -2.41 116.42 115.52 2kob h ASP 152 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kob h ASP 152 Cb 0.96 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.97 2kob h ASP 152 CO 0.07 0.00 -0.26 0.22 -1.61 0.00 0.00 179.24 177.66 2kob h TYR 153 N 0.00 0.00 -3.56 0.28 3.20 -1.33 -3.45 116.97 112.11 2kob h TYR 153 Ca 0.00 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.35 2kob h TYR 153 Cb 0.68 0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.98 2kob h TYR 153 CO 0.00 0.00 0.57 0.08 -1.64 0.00 0.00 178.16 177.17 2kob s VAL 154 N -3.17 3.40 -0.07 1.81 1.01 -0.91 -5.01 120.40 117.47 2kob s VAL 154 Ca 0.08 1.23 -0.08 0.00 0.00 0.00 0.00 61.98 63.21 2kob s VAL 154 Cb 0.11 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2kob s VAL 154 CO 0.66 0.22 0.21 -0.13 0.00 0.00 0.00 175.10 176.07 2kob s ARG 155 N -0.57 3.54 -0.45 2.72 0.52 -1.26 -5.03 118.95 118.42 2kob s ARG 155 Ca 0.52 -0.05 -0.16 0.00 -0.52 0.00 0.00 55.73 55.51 2kob s ARG 155 Cb -0.34 -3.16 0.05 0.00 0.52 0.00 0.00 34.95 32.01 2kob s ARG 155 CO 0.39 0.73 0.43 0.42 0.02 0.00 0.00 175.30 177.29 2kob s ILE 156 N -1.12 5.14 0.04 1.52 -1.09 -1.26 -4.83 121.20 119.61 2kob s ILE 156 Ca 0.20 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.59 2kob s ILE 156 Cb -0.13 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.60 2kob s ILE 156 CO 0.09 -0.53 1.17 -2.16 -1.23 0.00 0.00 174.94 172.28 2kob s PRO 157 N 1.94 4.44 -0.08 2.79 0.04 -1.26 -4.85 135.00 138.02 2kob s PRO 157 Ca 0.08 1.71 0.12 0.00 0.04 0.00 0.00 61.00 62.95 2kob s PRO 157 Cb -0.21 -3.39 0.18 0.00 0.04 0.00 0.00 34.50 31.13 2kob s PRO 157 CO 0.10 -0.25 1.09 0.36 0.04 0.00 0.00 177.00 178.34 2kob n LYS 158 N 4.09 0.81 -0.03 4.56 2.85 -1.26 -4.69 118.16 124.49 2kob n LYS 158 Ca 0.09 -2.00 0.03 0.00 -1.05 0.00 0.00 58.31 55.39 2kob n LYS 158 Cb 0.47 -1.13 -0.12 0.00 -0.65 0.00 0.00 35.03 33.60 2kob n LYS 158 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 2kob n ILE 159 N -0.91 0.29 -1.22 0.58 3.06 -1.26 -5.01 119.36 114.89 2kob n ILE 159 Ca 0.10 -0.44 -0.10 0.00 -2.50 0.00 0.00 62.75 59.82 2kob n ILE 159 Cb 0.66 -0.08 0.07 0.00 0.54 0.00 0.00 39.64 40.83 2kob n ILE 159 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2kob n ALA 160 N -2.19 -0.61 -1.68 1.51 0.00 -1.26 -4.93 120.51 111.35 2kob n ALA 160 Ca -0.09 -0.58 -0.46 0.00 0.00 0.00 0.00 53.44 52.32 2kob n ALA 160 Cb 0.58 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 2kob n ALA 160 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kob n LEU 161 N 0.00 3.66 -4.91 0.00 4.77 -1.26 -4.97 117.00 114.29 2kob n LEU 161 Ca 0.06 0.98 -0.28 0.00 -0.03 0.00 0.00 56.01 56.73 2kob n LEU 161 Cb 0.19 -1.44 0.08 0.00 -2.33 0.00 0.00 43.42 39.92 2kob n LEU 161 CO 0.14 0.01 0.74 -1.61 -1.33 0.00 0.00 177.39 175.35 2kob s GLU 162 N 3.47 2.04 0.95 3.23 2.02 -1.26 -5.05 118.70 124.09 2kob s GLU 162 Ca 0.88 0.02 -0.12 0.00 0.02 0.00 0.00 54.97 55.77 2kob s GLU 162 Cb -0.60 -2.01 0.16 0.00 0.10 0.00 0.00 34.13 31.78 2kob s GLU 162 CO 0.45 -1.49 1.10 -3.38 0.02 0.00 0.00 175.26 171.96 2kob s HIS 163 N -3.49 2.26 0.28 1.61 -3.43 -1.26 -4.97 115.29 106.29 2kob s HIS 163 Ca 0.61 1.04 -0.30 0.00 -0.80 0.00 0.00 55.06 55.62 2kob s HIS 163 Cb -0.11 -3.25 -0.13 0.00 -1.43 0.00 0.00 32.58 27.67 2kob s HIS 163 CO 0.48 -2.62 1.41 -2.39 -2.00 0.00 0.00 174.74 169.61 2kob n HIS 164 N -4.00 2.32 -0.03 0.38 1.44 -1.26 -4.60 115.22 109.47 2kob n HIS 164 Ca 0.06 0.44 0.00 0.00 -2.01 0.00 0.00 57.72 56.20 2kob n HIS 164 Cb 0.57 -2.47 0.00 0.00 0.12 0.00 0.00 29.99 28.21 2kob n HIS 164 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kob n HIS 165 N 1.50 -0.09 -1.96 -1.40 -0.00 -1.26 -5.06 115.22 106.95 2kob n HIS 165 Ca 0.09 0.05 -0.01 0.00 -0.00 0.00 0.00 57.72 57.85 2kob n HIS 165 Cb 0.34 -1.12 -0.01 0.00 -0.00 0.00 0.00 29.99 29.21 2kob n HIS 165 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kob n HIS 166 N -0.93 -1.63 -3.13 4.41 -0.00 -1.26 -5.00 115.22 107.68 2kob n HIS 166 Ca 0.00 0.80 -0.40 0.00 -0.00 0.00 0.00 57.72 58.11 2kob n HIS 166 Cb 0.00 -2.48 -0.06 0.00 -0.00 0.00 0.00 29.99 27.45 2kob n HIS 166 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kob s HIS 167 N -0.52 3.29 0.00 1.57 0.09 -1.26 -4.80 115.29 113.66 2kob s HIS 167 Ca -0.04 0.81 0.00 0.00 -0.00 0.00 0.00 55.06 55.83 2kob s HIS 167 Cb 0.00 -2.82 0.00 0.00 -0.00 0.00 0.00 32.58 29.77 2kob s HIS 167 CO 0.31 -0.29 0.00 1.58 -0.00 0.00 0.00 174.74 176.33