#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kob n ASP 62 N 0.00 -5.69 -4.89 0.55 9.92 -1.26 -4.61 116.55 110.57 2kob n ASP 62 Ca 0.00 0.81 -0.29 0.00 -0.53 0.00 0.00 54.79 54.78 2kob n ASP 62 Cb 0.00 -3.67 0.01 0.00 -0.64 0.00 0.00 41.12 36.82 2kob n ASP 62 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2kob s SER 63 N -1.13 6.19 0.38 -2.24 1.04 -1.26 -2.35 113.70 114.33 2kob s SER 63 Ca 0.02 1.11 0.06 0.00 0.48 0.00 0.00 55.95 57.61 2kob s SER 63 Cb -0.01 -2.30 0.76 0.00 0.10 0.00 0.00 66.02 64.58 2kob s SER 63 CO 0.48 -0.74 2.01 0.15 0.98 0.00 0.00 173.24 176.12 2kob h PHE 64 N -0.03 0.57 -0.56 5.02 3.57 -1.43 -1.28 116.94 122.80 2kob h PHE 64 Ca -0.46 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.07 2kob h PHE 64 Cb 1.20 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 2kob h PHE 64 CO 0.60 0.41 0.33 0.78 -2.23 0.00 0.00 178.31 178.21 2kob h GLY 65 N 0.68 0.80 1.04 2.40 0.00 -1.58 0.33 103.07 106.73 2kob h GLY 65 Ca 0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 2kob h GLY 65 CO -0.02 0.20 0.11 -1.80 0.00 0.00 0.00 176.54 175.03 2kob h ASP 66 N 0.66 0.98 -0.69 0.19 3.58 -1.59 -1.33 116.42 118.22 2kob h ASP 66 Ca 0.23 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2kob h ASP 66 Cb 0.04 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 2kob h ASP 66 CO -0.11 0.98 0.33 -0.50 -2.88 0.00 0.00 179.24 177.07 2kob h TRP 67 N 0.93 0.99 -0.54 0.28 4.06 -0.76 -1.01 115.95 119.90 2kob h TRP 67 Ca 0.19 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 61.10 2kob h TRP 67 Cb 0.42 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 2kob h TRP 67 CO 0.03 0.73 0.35 0.00 -3.56 0.00 0.00 178.44 176.00 2kob h ALA 68 N 1.16 0.69 -0.65 1.49 0.00 -0.04 0.16 119.26 122.07 2kob h ALA 68 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2kob h ALA 68 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2kob h ALA 68 CO -0.03 0.11 0.36 0.93 0.00 0.00 0.00 179.25 180.62 2kob h GLU 69 N 0.72 0.91 0.00 0.00 5.08 -0.91 0.21 114.58 120.58 2kob h GLU 69 Ca 0.20 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2kob h GLU 69 Cb -0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2kob h GLU 69 CO -0.05 0.68 -0.42 0.87 -1.00 0.00 0.00 179.01 179.09 2kob h LYS 70 N 0.89 0.00 -0.09 2.33 1.57 -0.76 0.32 116.57 120.83 2kob h LYS 70 Ca 0.23 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.77 2kob h LYS 70 Cb 0.04 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.36 2kob h LYS 70 CO -0.04 0.42 -0.89 0.35 -0.57 0.00 0.00 179.45 178.72 2kob h PHE 71 N 0.00 1.06 -0.41 -1.35 3.57 -0.09 -2.21 116.94 117.51 2kob h PHE 71 Ca -0.00 -0.52 -0.08 0.00 3.53 0.00 0.00 57.97 60.90 2kob h PHE 71 Cb 0.80 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2kob h PHE 71 CO 0.00 1.35 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.28 2kob h LEU 72 N 0.47 0.69 -0.34 0.59 3.38 -0.30 0.11 115.31 119.92 2kob h LEU 72 Ca -0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2kob h LEU 72 Cb 1.53 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 2kob h LEU 72 CO 0.18 0.82 0.14 0.50 0.09 0.00 0.00 178.44 180.17 2kob h LYS 73 N 0.65 0.51 -0.13 1.13 3.64 -0.91 -0.67 116.57 120.79 2kob h LYS 73 Ca 0.12 -0.09 -0.23 0.00 -1.27 0.00 0.00 60.65 59.18 2kob h LYS 73 Cb 0.53 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2kob h LYS 73 CO 0.03 0.50 -0.81 0.66 -2.27 0.00 0.00 179.45 177.56 2kob h SER 74 N 0.41 0.94 0.87 4.20 4.64 -1.22 -2.57 113.55 120.81 2kob h SER 74 Ca 0.11 -0.63 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 2kob h SER 74 Cb 0.18 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2kob h SER 74 CO -0.01 1.43 -0.09 0.50 -0.87 0.00 0.00 176.83 177.79 2kob h LYS 75 N 0.52 0.00 -0.11 4.77 1.63 -0.74 0.13 116.57 122.77 2kob h LYS 75 Ca -0.06 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.60 2kob h LYS 75 Cb 1.44 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.08 2kob h LYS 75 CO 0.17 0.09 -0.49 1.49 -3.45 0.00 0.00 179.45 177.26 2kob h GLU 76 N 0.00 0.53 0.00 1.90 4.81 -1.00 -3.05 114.58 117.77 2kob h GLU 76 Ca -0.00 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2kob h GLU 76 Cb 0.55 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2kob h GLU 76 CO 0.01 1.05 -0.20 0.00 -0.73 0.00 0.00 179.01 179.13 2kob h ALA 77 N 0.49 1.38 -0.76 2.92 0.00 -0.99 -2.03 119.26 120.28 2kob h ALA 77 Ca -0.03 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.83 2kob h ALA 77 Cb 1.13 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 2kob h ALA 77 CO 0.10 0.25 0.32 0.22 0.00 0.00 0.00 179.25 180.15 2kob h ASP 78 N 0.00 0.33 0.00 0.00 1.82 -0.65 -3.46 116.42 114.46 2kob h ASP 78 Ca -0.00 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 2kob h ASP 78 Cb 0.44 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.51 2kob h ASP 78 CO 0.03 0.14 0.00 0.61 -1.61 0.00 0.00 179.24 178.40 2kob n GLY 79 N -1.32 1.94 3.77 -0.78 0.00 -0.76 -5.10 105.19 102.95 2kob n GLY 79 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 3.16 0.91 1.61 -7.23 -1.22 -5.02 120.40 110.61 2kob s VAL 80 Ca 0.00 0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 60.76 2kob s VAL 80 Cb 0.00 -3.28 0.14 0.00 0.56 0.00 0.00 36.38 33.80 2kob s VAL 80 CO 0.00 -0.17 1.11 -0.44 -0.31 0.00 0.00 175.10 175.29 2kob s SER 81 N -1.82 3.43 0.10 4.85 0.01 -1.26 -4.78 113.70 114.23 2kob s SER 81 Ca 0.72 1.15 -0.25 0.00 1.31 0.00 0.00 55.95 58.88 2kob s SER 81 Cb -0.24 -1.79 -0.10 0.00 0.21 0.00 0.00 66.02 64.10 2kob s SER 81 CO 0.28 -2.62 1.68 0.58 0.41 0.00 0.00 173.24 173.57 2kob h VAL 82 N -1.54 0.67 0.00 3.43 2.07 -1.99 -1.27 116.25 117.61 2kob h VAL 82 Ca -0.51 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2kob h VAL 82 Cb 1.31 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2kob h VAL 82 CO 0.59 0.00 -0.09 0.28 0.02 0.00 0.00 177.57 178.37 2kob h SER 83 N -0.28 0.00 0.25 0.57 0.02 -1.98 0.29 113.55 112.42 2kob h SER 83 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2kob h SER 83 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2kob h SER 83 CO -0.08 0.09 -0.12 -0.61 -1.14 0.00 0.00 176.83 174.97 2kob h GLN 84 N 0.00 -0.33 -0.01 3.45 5.75 -1.67 -1.81 115.11 120.49 2kob h GLN 84 Ca -0.00 0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.42 2kob h GLN 84 Cb 0.19 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 2kob h GLN 84 CO 0.01 0.03 -0.45 1.25 -2.65 0.00 0.00 178.83 177.02 2kob h LEU 85 N -0.80 0.03 -0.59 -2.39 5.85 -1.00 -2.13 115.31 114.30 2kob h LEU 85 Ca -0.03 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2kob h LEU 85 Cb 0.51 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2kob h LEU 85 CO 0.06 0.48 0.34 -1.13 -0.34 0.00 0.00 178.44 177.85 2kob h ASN 86 N 0.03 0.53 -0.51 1.25 -0.73 -0.41 0.60 115.58 116.34 2kob h ASN 86 Ca -0.00 0.01 -0.11 0.00 1.87 0.00 0.00 56.30 58.07 2kob h ASN 86 Cb 0.81 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.29 2kob h ASN 86 CO 0.06 0.37 -0.09 -1.28 -0.37 0.00 0.00 177.43 176.12 2kob h SER 87 N 0.66 0.98 -0.40 1.15 0.87 -0.91 -1.30 113.55 114.60 2kob h SER 87 Ca 0.25 -0.31 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2kob h SER 87 Cb 0.08 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 2kob h SER 87 CO -0.13 1.08 0.24 1.88 -0.53 0.00 0.00 176.83 179.37 2kob h TYR 88 N 0.88 0.45 -0.47 2.24 0.05 -0.74 -0.51 116.97 118.88 2kob h TYR 88 Ca 0.14 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 2kob h TYR 88 Cb 0.64 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 2kob h TYR 88 CO 0.04 0.26 0.21 0.87 -1.05 0.00 0.00 178.16 178.49 2kob h LYS 89 N 0.48 0.69 -0.07 4.88 1.57 -0.71 -1.74 116.57 121.67 2kob h LYS 89 Ca 0.16 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2kob h LYS 89 Cb -0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2kob h LYS 89 CO -0.07 0.60 -0.04 -0.97 -0.57 0.00 0.00 179.45 178.40 2kob h ASN 90 N 0.61 -0.13 0.13 0.86 -0.73 -0.88 0.11 115.58 115.54 2kob h ASN 90 Ca 0.16 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.36 2kob h ASN 90 Cb 0.16 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 2kob h ASN 90 CO -0.02 -0.06 -0.12 1.88 -0.37 0.00 0.00 177.43 178.75 2kob h TYR 91 N -0.04 -0.30 -0.27 0.67 0.05 -0.98 -0.71 116.97 115.38 2kob h TYR 91 Ca 0.04 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 2kob h TYR 91 Cb 0.11 0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 2kob h TYR 91 CO -0.15 -0.18 -0.07 0.00 -1.05 0.00 0.00 178.16 176.71 2kob h ARG 93 N 0.28 0.00 0.00 0.00 2.47 -0.79 -3.03 114.38 113.31 2kob h ARG 93 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2kob h ARG 93 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2kob h ARG 93 CO 0.03 0.85 -0.58 0.09 0.56 0.00 0.00 179.97 180.91 2kob n ASN 94 N -3.29 1.38 0.16 7.04 5.03 -0.28 -4.10 115.26 121.20 2kob n ASN 94 Ca -0.01 0.22 0.03 0.00 0.87 0.00 0.00 54.58 55.69 2kob n ASN 94 Cb 0.91 -0.58 0.17 0.00 -1.02 0.00 0.00 39.78 39.26 2kob n ASN 94 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 2kob h HIS 95 N -0.58 0.00 -0.39 3.10 2.76 -1.23 -2.89 115.15 115.92 2kob h HIS 95 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kob h HIS 95 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.54 2kob h HIS 95 CO -0.25 0.49 0.00 1.28 -1.30 0.00 0.00 177.93 178.15 2kob n LEU 96 N -3.41 3.75 -0.15 0.26 4.77 0.12 -4.66 117.00 117.67 2kob n LEU 96 Ca 0.01 -2.50 -0.05 0.00 -0.03 0.00 0.00 56.01 53.44 2kob n LEU 96 Cb 0.64 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2kob n LEU 96 CO 0.39 0.73 1.02 -1.28 -1.33 0.00 0.00 177.39 176.92 2kob h SER 97 N 2.44 0.36 -0.40 -1.43 0.87 -1.38 0.31 113.55 114.32 2kob h SER 97 Ca 0.00 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.70 2kob h SER 97 Cb 1.18 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2kob h SER 97 CO 0.14 0.25 0.33 1.55 -0.53 0.00 0.00 176.83 178.58 2kob h PRO 98 N 0.48 0.00 0.01 2.24 0.13 -1.83 -1.18 132.00 131.85 2kob h PRO 98 Ca 0.20 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.04 2kob h PRO 98 Cb 0.09 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.18 2kob h PRO 98 CO -0.13 0.00 -1.66 -0.07 -0.23 0.00 0.00 178.00 175.91 2kob h LEU 99 N 0.00 0.02 -1.02 1.56 3.38 -1.50 -3.31 115.31 114.43 2kob h LEU 99 Ca 0.19 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2kob h LEU 99 Cb 0.85 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 2kob h LEU 99 CO -0.00 1.04 0.64 0.22 0.09 0.00 0.00 178.44 180.43 2kob h TYR 100 N 0.00 1.19 0.00 1.13 5.03 0.80 -0.22 116.97 124.90 2kob h TYR 100 Ca -0.27 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.02 2kob h TYR 100 Cb 2.00 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 39.88 2kob h TYR 100 CO 0.00 0.61 -0.27 1.98 -1.32 0.00 0.00 178.16 179.16 2kob h MET 101 N 1.15 0.00 -6.97 1.82 4.05 -1.63 -2.15 114.93 111.20 2kob h MET 101 Ca 0.43 0.00 -0.48 0.00 -0.28 0.00 0.00 59.70 59.38 2kob h MET 101 Cb 0.19 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.01 2kob h MET 101 CO -0.18 0.27 0.40 0.15 0.23 0.00 0.00 176.91 177.78 2kob s LYS 102 N -3.30 4.16 0.69 0.39 1.02 -0.10 -4.92 119.74 117.69 2kob s LYS 102 Ca 0.03 1.47 -0.11 0.00 0.02 0.00 0.00 55.97 57.38 2kob s LYS 102 Cb 0.08 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2kob s LYS 102 CO 0.68 -0.14 1.06 -1.12 -0.92 0.00 0.00 175.35 174.91 2kob s SER 103 N -1.64 5.49 0.44 2.83 0.01 -1.26 -1.46 113.70 118.10 2kob s SER 103 Ca 0.58 1.51 0.14 0.00 1.31 0.00 0.00 55.95 59.50 2kob s SER 103 Cb -0.21 -2.41 1.04 0.00 0.21 0.00 0.00 66.02 64.65 2kob s SER 103 CO 0.26 -1.36 1.99 0.25 0.41 0.00 0.00 173.24 174.78 2kob h LEU 104 N -0.66 0.35 -0.59 2.44 5.85 -1.72 0.60 115.31 121.58 2kob h LEU 104 Ca -0.44 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2kob h LEU 104 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2kob h LEU 104 CO 0.59 0.21 -0.08 -1.54 -0.34 0.00 0.00 178.44 177.28 2kob n SER 105 N -4.47 1.00 -0.27 1.25 3.41 -1.26 -3.62 113.62 109.67 2kob n SER 105 Ca 0.09 -1.11 0.12 0.00 -0.26 0.00 0.00 58.87 57.71 2kob n SER 105 Cb 0.36 0.02 0.18 0.00 -0.26 0.00 0.00 64.21 64.51 2kob n SER 105 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kob n GLU 106 N -0.39 0.76 -3.37 4.33 1.02 0.20 -4.88 120.64 118.31 2kob n GLU 106 Ca 0.17 -0.54 -0.39 0.00 -0.02 0.00 0.00 57.16 56.38 2kob n GLU 106 Cb 0.31 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.61 5.16 0.11 -3.67 1.01 -1.23 -4.93 121.20 115.04 2kob s ILE 107 Ca 0.19 0.62 0.02 0.00 0.00 0.00 0.00 60.65 61.48 2kob s ILE 107 Cb 0.18 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2kob s ILE 107 CO 0.60 0.15 0.21 -0.76 0.00 0.00 0.00 174.94 175.14 2kob s LEU 108 N 2.08 4.21 0.58 2.97 1.43 -1.26 -4.89 118.68 123.80 2kob s LEU 108 Ca 0.16 0.14 0.31 0.00 -1.03 0.00 0.00 54.13 53.71 2kob s LEU 108 Cb -0.16 -2.81 1.77 0.00 0.03 0.00 0.00 46.19 45.02 2kob s LEU 108 CO 0.10 0.11 2.21 1.55 0.23 0.00 0.00 176.35 180.55 2kob h PRO 109 N 2.67 0.00 -0.35 1.29 0.13 -1.95 -2.27 132.00 131.52 2kob h PRO 109 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2kob h PRO 109 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kob h PRO 109 CO 0.70 0.04 -0.37 0.00 -0.23 0.00 0.00 178.00 178.14 2kob h ALA 110 N 1.96 0.70 0.15 -0.56 0.00 -1.94 -2.34 119.26 117.23 2kob h ALA 110 Ca -0.00 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2kob h ALA 110 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kob h ALA 110 CO 0.01 0.67 -0.17 -0.44 0.00 0.00 0.00 179.25 179.31 2kob h ASP 111 N 0.67 -0.45 -0.22 0.00 3.32 -1.81 0.90 116.42 118.83 2kob h ASP 111 Ca 0.06 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2kob h ASP 111 Cb 0.92 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2kob h ASP 111 CO 0.09 -0.25 0.10 0.40 -1.72 0.00 0.00 179.24 177.86 2kob h ILE 112 N -0.36 1.14 -0.69 0.35 2.04 -1.58 -2.64 117.51 115.77 2kob h ILE 112 Ca 0.01 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 2kob h ILE 112 Cb 0.35 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2kob h ILE 112 CO -0.06 0.14 0.13 -0.61 0.00 0.00 0.00 178.15 177.76 2kob h GLN 113 N 0.22 1.12 -0.19 2.37 -0.00 -1.27 -1.40 115.11 115.97 2kob h GLN 113 Ca 0.08 -0.29 0.03 0.00 -0.00 0.00 0.00 58.65 58.47 2kob h GLN 113 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 2kob h GLN 113 CO -0.01 1.01 0.00 1.03 0.00 0.00 0.00 178.83 180.86 2kob h SER 114 N 1.05 -0.07 -0.09 -0.69 0.87 -0.69 0.36 113.55 114.29 2kob h SER 114 Ca 0.21 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2kob h SER 114 Cb 0.42 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2kob h SER 114 CO 0.01 -0.01 0.04 0.40 -0.53 0.00 0.00 176.83 176.74 2kob h ILE 115 N 0.06 0.99 -0.66 2.23 2.04 -1.21 -2.40 117.51 118.56 2kob h ILE 115 Ca 0.09 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2kob h ILE 115 Cb 0.11 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 2kob h ILE 115 CO -0.15 0.02 0.35 0.40 0.00 0.00 0.00 178.15 178.76 2kob h ILE 116 N 0.09 0.93 -0.95 -0.67 1.08 -0.83 -1.03 117.51 116.12 2kob h ILE 116 Ca 0.04 -0.22 0.10 0.00 -0.39 0.00 0.00 64.86 64.39 2kob h ILE 116 Cb 0.01 0.24 -0.08 0.00 -3.07 0.00 0.00 36.82 33.93 2kob h ILE 116 CO -0.04 0.12 0.59 -1.13 -0.69 0.00 0.00 178.15 177.00 2kob h ASN 117 N 0.63 0.89 0.35 1.72 -1.24 0.20 -1.53 115.58 116.60 2kob h ASN 117 Ca 0.30 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.35 2kob h ASN 117 Cb 0.23 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2kob h ASN 117 CO -0.21 0.51 -0.57 -1.84 -1.29 0.00 0.00 177.43 174.04 2kob n GLU 118 N -4.62 0.14 -2.54 6.67 0.28 -0.97 -4.89 120.64 114.71 2kob n GLU 118 Ca 0.16 -0.09 -0.42 0.00 -0.16 0.00 0.00 57.16 56.66 2kob n GLU 118 Cb 0.28 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.62 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 -2.92 4.16 -0.73 3.84 2.01 -0.43 -5.00 115.64 116.56 2kob s THR 119 Ca 0.12 1.68 -0.08 0.00 0.31 0.00 0.00 61.69 63.73 2kob s THR 119 Cb 0.17 -4.07 0.19 0.00 0.01 0.00 0.00 72.50 68.80 2kob s THR 119 CO 0.71 0.21 0.61 -0.54 -0.69 0.00 0.00 174.62 174.91 2kob s LYS 120 N 0.39 3.07 0.29 4.92 1.02 -1.26 -4.96 119.74 123.21 2kob s LYS 120 Ca 0.53 -2.56 0.03 0.00 0.02 0.00 0.00 55.97 53.98 2kob s LYS 120 Cb -0.27 -4.05 -0.04 0.00 -0.52 0.00 0.00 37.83 32.94 2kob s LYS 120 CO 0.31 -1.23 0.14 -0.51 -0.92 0.00 0.00 175.35 173.15 2kob s LEU 121 N -0.07 1.65 0.73 3.17 1.43 -1.26 -5.14 118.68 119.20 2kob s LEU 121 Ca 0.18 -1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 51.64 2kob s LEU 121 Cb -0.15 0.15 0.04 0.00 0.03 0.00 0.00 46.19 46.25 2kob s LEU 121 CO -0.06 -0.85 1.11 0.00 0.23 0.00 0.00 176.35 176.79 2kob s ALA 122 N -3.65 2.28 0.36 4.21 0.00 -1.26 -4.76 121.76 118.94 2kob s ALA 122 Ca 0.36 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.85 2kob s ALA 122 Cb 0.06 -3.33 0.73 0.00 0.00 0.00 0.00 23.12 20.58 2kob s ALA 122 CO 0.16 -1.63 1.96 1.57 0.00 0.00 0.00 175.76 177.82 2kob h LYS 123 N -0.58 0.75 -0.26 0.00 2.10 -1.99 0.64 116.57 117.22 2kob h LYS 123 Ca -0.45 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.12 2kob h LYS 123 Cb 1.25 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 2kob h LYS 123 CO 0.52 0.50 0.06 -0.97 -2.00 0.00 0.00 179.45 177.55 2kob h ASN 124 N 0.77 0.41 -0.28 7.07 -1.24 -1.99 -2.31 115.58 118.01 2kob h ASN 124 Ca 0.32 -0.24 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 2kob h ASN 124 Cb 0.25 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 2kob h ASN 124 CO -0.11 0.55 -0.01 0.74 -1.29 0.00 0.00 177.43 177.31 2kob h THR 125 N 0.25 1.26 -0.18 -3.57 2.02 -1.62 -0.34 112.91 110.74 2kob h THR 125 Ca 0.08 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 2kob h THR 125 Cb 0.30 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2kob h THR 125 CO 0.00 0.30 0.09 -0.07 0.37 0.00 0.00 175.52 176.22 2kob h LEU 126 N 0.29 0.23 -1.20 2.58 3.38 -0.94 -1.32 115.31 118.32 2kob h LEU 126 Ca 0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2kob h LEU 126 Cb 0.45 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2kob h LEU 126 CO 0.02 0.26 0.06 0.11 0.09 0.00 0.00 178.44 178.97 2kob h LYS 127 N 0.18 0.61 -0.59 1.13 1.57 -1.38 -2.53 116.57 115.56 2kob h LYS 127 Ca 0.06 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2kob h LYS 127 Cb 0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2kob h LYS 127 CO -0.01 0.59 0.29 0.00 -0.57 0.00 0.00 179.45 179.75 2kob h ALA 128 N 1.48 0.75 -0.23 3.86 0.00 -0.52 0.27 119.26 124.88 2kob h ALA 128 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kob h ALA 128 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kob h ALA 128 CO 0.00 0.31 0.13 0.82 0.00 0.00 0.00 179.25 180.51 2kob h ILE 129 N 0.80 1.10 -0.28 0.00 2.04 -0.96 0.50 117.51 120.71 2kob h ILE 129 Ca 0.20 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2kob h ILE 129 Cb 0.10 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2kob h ILE 129 CO -0.03 0.10 0.04 -0.09 0.00 0.00 0.00 178.15 178.17 2kob h ARG 130 N 0.27 0.46 -0.26 2.37 2.43 -1.18 -1.27 114.38 117.21 2kob h ARG 130 Ca 0.08 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2kob h ARG 130 Cb 0.05 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2kob h ARG 130 CO -0.01 0.58 -0.05 -0.91 -1.51 0.00 0.00 179.97 178.07 2kob h ASN 131 N 0.27 0.37 -0.31 -3.80 2.35 -0.36 0.15 115.58 114.27 2kob h ASN 131 Ca 0.08 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2kob h ASN 131 Cb 0.35 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2kob h ASN 131 CO 0.01 0.47 0.03 0.74 -1.65 0.00 0.00 177.43 177.03 2kob h THR 132 N 0.38 1.24 -0.45 2.81 2.02 -0.68 -1.91 112.91 116.32 2kob h THR 132 Ca 0.08 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 2kob h THR 132 Cb 0.33 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2kob h THR 132 CO 0.01 0.28 0.12 0.00 0.37 0.00 0.00 175.52 176.30 2kob h ALA 133 N 0.87 0.59 -0.41 6.16 0.00 -0.47 -2.33 119.26 123.66 2kob h ALA 133 Ca 0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2kob h ALA 133 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kob h ALA 133 CO 0.01 0.26 0.02 0.66 0.00 0.00 0.00 179.25 180.20 2kob h SER 134 N 0.59 0.60 -0.81 0.00 4.64 -0.72 -0.59 113.55 117.27 2kob h SER 134 Ca 0.14 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2kob h SER 134 Cb 0.30 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 2kob h SER 134 CO -0.00 0.66 0.53 1.56 -0.87 0.00 0.00 176.83 178.71 2kob h GLN 135 N 0.61 1.04 -0.48 4.77 1.08 -1.04 0.43 115.11 121.51 2kob h GLN 135 Ca 0.13 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2kob h GLN 135 Cb 0.36 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2kob h GLN 135 CO 0.01 0.69 0.09 0.82 -0.95 0.00 0.00 178.83 179.48 2kob h ILE 136 N 1.07 1.25 -0.45 2.54 2.04 -0.79 -0.74 117.51 122.42 2kob h ILE 136 Ca 0.30 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 2kob h ILE 136 Cb -0.09 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2kob h ILE 136 CO -0.08 0.32 -0.14 -0.26 0.00 0.00 0.00 178.15 178.00 2kob h PHE 137 N 0.67 0.92 -0.68 1.37 0.04 -0.70 -1.58 116.94 116.97 2kob h PHE 137 Ca 0.15 -0.18 0.02 0.00 2.80 0.00 0.00 57.97 60.75 2kob h PHE 137 Cb 0.38 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 2kob h PHE 137 CO 0.03 0.91 0.44 0.00 -0.60 0.00 0.00 178.31 179.09 2kob h ARG 138 N 0.74 0.86 -0.90 1.51 3.08 0.08 0.90 114.38 120.66 2kob h ARG 138 Ca 0.12 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.15 2kob h ARG 138 Cb 0.64 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 2kob h ARG 138 CO 0.04 0.57 0.58 1.25 -1.07 0.00 0.00 179.97 181.34 2kob h LEU 139 N 0.88 0.97 -0.58 3.04 5.85 -0.68 0.39 115.31 125.18 2kob h LEU 139 Ca 0.26 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 2kob h LEU 139 Cb -0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2kob h LEU 139 CO -0.08 0.67 0.11 0.00 -0.34 0.00 0.00 178.44 178.80 2kob h ALA 140 N 1.36 0.77 -0.35 1.25 0.00 -0.58 -0.74 119.26 120.98 2kob h ALA 140 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2kob h ALA 140 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2kob h ALA 140 CO -0.11 0.50 0.18 0.82 0.00 0.00 0.00 179.25 180.65 2kob h ILE 141 N 0.85 1.15 -0.66 0.00 2.04 0.10 0.31 117.51 121.30 2kob h ILE 141 Ca 0.18 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2kob h ILE 141 Cb 0.40 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2kob h ILE 141 CO 0.01 0.15 0.40 -0.33 0.00 0.00 0.00 178.15 178.38 2kob h GLU 142 N 0.43 0.88 -0.33 2.37 5.08 -0.06 0.12 114.58 123.08 2kob h GLU 142 Ca 0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2kob h GLU 142 Cb 0.08 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kob h GLU 142 CO -0.02 0.62 0.00 0.09 -1.00 0.00 0.00 179.01 178.70 2kob n ASN 143 N -4.41 1.70 -1.38 1.42 3.02 -0.30 -4.90 115.26 110.42 2kob n ASN 143 Ca 0.07 -2.02 -0.17 0.00 -0.03 0.00 0.00 54.58 52.43 2kob n ASN 143 Cb 0.07 -0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.39 -1.18 0.05 3.52 1.74 0.03 -4.86 116.66 116.36 2kob n ARG 144 Ca 0.10 1.04 -0.03 0.00 -0.77 0.00 0.00 57.85 58.19 2kob n ARG 144 Cb 0.28 -5.27 -0.08 0.00 -1.02 0.00 0.00 32.46 26.36 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 0.13 0.61 -2.81 7.54 0.00 -0.66 -3.47 119.26 120.60 2kob h ALA 145 Ca -0.35 -0.91 -0.15 0.00 0.00 0.00 0.00 54.91 53.50 2kob h ALA 145 Cb 1.12 0.13 -0.21 0.00 0.00 0.00 0.00 17.79 18.83 2kob h ALA 145 CO 0.49 1.08 -0.53 -1.50 0.00 0.00 0.00 179.25 178.80 2kob s ILE 146 N -2.81 0.08 -0.21 0.00 2.07 -1.20 -4.99 121.20 114.15 2kob s ILE 146 Ca -0.01 -0.70 0.13 0.00 -1.41 0.00 0.00 60.65 58.66 2kob s ILE 146 Cb 0.09 -0.40 0.46 0.00 0.13 0.00 0.00 42.46 42.74 2kob s ILE 146 CO 0.80 -0.39 1.35 0.47 -1.91 0.00 0.00 174.94 175.27 2kob n ASP 147 N 1.53 2.72 -3.77 4.50 9.92 -1.26 -4.01 116.55 126.18 2kob n ASP 147 Ca -0.23 -3.44 -0.13 0.00 -0.53 0.00 0.00 54.79 50.46 2kob n ASP 147 Cb 0.56 -0.55 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 2kob n ASP 147 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2kob s PHE 148 N -3.06 -0.19 -0.48 1.24 5.36 -1.26 -5.11 117.98 114.48 2kob s PHE 148 Ca 0.40 0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 56.87 2kob s PHE 148 Cb 0.36 -0.01 0.13 0.00 -0.34 0.00 0.00 43.02 43.16 2kob s PHE 148 CO 0.02 -0.14 0.26 1.21 -1.46 0.00 0.00 175.22 175.10 2kob s ASN 149 N 0.75 5.02 0.44 6.13 3.84 -1.26 -4.96 114.94 124.90 2kob s ASN 149 Ca -0.06 -2.45 0.11 0.00 0.21 0.00 0.00 52.86 50.68 2kob s ASN 149 Cb -0.07 -1.77 1.00 0.00 -0.55 0.00 0.00 41.25 39.85 2kob s ASN 149 CO -0.04 -0.42 2.04 -0.65 -2.79 0.00 0.00 177.10 175.25 2kob h PRO 150 N 7.43 0.39 0.00 0.43 0.11 -1.94 -1.92 132.00 136.51 2kob h PRO 150 Ca -0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 2kob h PRO 150 Cb 0.99 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 2kob h PRO 150 CO 0.67 0.26 -0.05 0.00 -0.21 0.00 0.00 178.00 178.67 2kob h ALA 151 N 1.77 0.99 0.00 -0.75 0.00 -1.92 -2.56 119.26 116.79 2kob h ALA 151 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2kob h ALA 151 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2kob h ALA 151 CO -0.04 0.06 -0.19 0.22 0.00 0.00 0.00 179.25 179.30 2kob h ASP 152 N 0.00 0.00 0.03 0.00 3.58 -1.72 -2.59 116.42 115.72 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 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2kob h ASP 152 CO 0.01 0.19 -0.24 -1.22 -2.88 0.00 0.00 179.24 175.10 2kob n TYR 153 N -3.41 0.00 -2.53 0.28 4.02 -0.97 -4.87 117.16 109.69 2kob n TYR 153 Ca -0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 2kob n TYR 153 Cb 0.38 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.66 2kob n TYR 153 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2kob s VAL 154 N -2.29 4.38 0.06 -0.72 1.01 -0.98 -5.02 120.40 116.85 2kob s VAL 154 Ca 0.25 1.62 -0.15 0.00 0.00 0.00 0.00 61.98 63.71 2kob s VAL 154 Cb 0.19 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 2kob s VAL 154 CO 0.46 -0.33 0.46 -0.13 0.00 0.00 0.00 175.10 175.56 2kob s ARG 155 N 3.67 3.95 -0.17 2.72 0.52 -1.26 -5.04 118.95 123.34 2kob s ARG 155 Ca 0.50 0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 56.11 2kob s ARG 155 Cb -0.16 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 2kob s ARG 155 CO 0.15 0.62 0.00 -1.50 0.02 0.00 0.00 175.30 174.60 2kob s ILE 156 N -1.22 4.24 0.08 1.52 1.10 -1.26 -4.92 121.20 120.75 2kob s ILE 156 Ca 0.29 -0.23 -0.18 0.00 -0.51 0.00 0.00 60.65 60.02 2kob s ILE 156 Cb -0.16 -2.89 -0.07 0.00 0.15 0.00 0.00 42.46 39.49 2kob s ILE 156 CO 0.16 0.47 0.56 -2.16 -2.11 0.00 0.00 174.94 171.87 2kob s PRO 157 N 0.44 4.16 0.00 3.50 0.04 -1.26 -4.95 135.00 136.92 2kob s PRO 157 Ca -0.01 0.69 0.17 0.00 0.04 0.00 0.00 61.00 61.89 2kob s PRO 157 Cb -0.14 -3.19 0.24 0.00 0.04 0.00 0.00 34.50 31.46 2kob s PRO 157 CO 0.02 0.61 1.15 1.63 0.04 0.00 0.00 177.00 180.45 2kob n LYS 158 N 1.57 1.81 -2.63 4.56 5.02 -1.26 -4.92 118.16 122.30 2kob n LYS 158 Ca -0.10 -1.77 -0.42 0.00 -2.02 0.00 0.00 58.31 54.01 2kob n LYS 158 Cb 0.51 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 2kob n LYS 158 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kob s ILE 159 N -1.29 3.99 0.65 -0.18 1.01 -1.26 -4.99 121.20 119.13 2kob s ILE 159 Ca 0.25 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 2kob s ILE 159 Cb 0.16 -4.93 0.06 0.00 0.01 0.00 0.00 42.46 37.75 2kob s ILE 159 CO 0.22 -1.80 0.92 0.00 0.00 0.00 0.00 174.94 174.28 2kob s ALA 160 N 4.88 3.49 -0.31 9.38 0.00 -1.26 -4.99 121.76 132.95 2kob s ALA 160 Ca 0.38 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 50.88 2kob s ALA 160 Cb -0.05 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 2kob s ALA 160 CO 0.01 -1.11 1.89 -0.51 0.00 0.00 0.00 175.76 176.04 2kob s LEU 161 N -5.05 3.49 -0.03 0.00 1.02 -1.26 -4.86 118.68 111.99 2kob s LEU 161 Ca 0.60 1.40 -0.25 0.00 0.02 0.00 0.00 54.13 55.90 2kob s LEU 161 Cb -0.10 -3.49 -0.19 0.00 0.02 0.00 0.00 46.19 42.43 2kob s LEU 161 CO 0.42 -1.78 1.16 -0.08 0.02 0.00 0.00 176.35 176.09 2kob h GLU 162 N 13.38 -0.10 -7.38 1.70 4.81 -2.01 -3.45 114.58 121.53 2kob h GLU 162 Ca -0.35 0.01 -0.46 0.00 -0.13 0.00 0.00 59.36 58.43 2kob h GLU 162 Cb 1.18 0.02 0.10 0.00 0.63 0.00 0.00 28.75 30.68 2kob h GLU 162 CO 1.02 0.37 0.25 -1.01 -0.73 0.00 0.00 179.01 178.91 2kob s HIS 163 N -4.05 2.32 0.14 0.92 3.76 -1.26 -5.09 115.29 112.03 2kob s HIS 163 Ca -0.15 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 2kob s HIS 163 Cb 0.01 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 2kob s HIS 163 CO 0.61 -1.76 0.26 -1.01 -0.85 0.00 0.00 174.74 171.99 2kob s HIS 164 N -3.37 3.46 -0.47 1.40 3.76 -1.26 -4.79 115.29 114.02 2kob s HIS 164 Ca 0.65 0.12 -0.29 0.00 -0.15 0.00 0.00 55.06 55.39 2kob s HIS 164 Cb -0.08 -1.66 0.04 0.00 1.11 0.00 0.00 32.58 31.99 2kob s HIS 164 CO 0.46 0.53 0.64 0.72 -0.85 0.00 0.00 174.74 176.24 2kob n HIS 165 N -0.42 -2.97 0.00 1.40 8.25 -1.26 -4.93 115.22 115.29 2kob n HIS 165 Ca -0.07 1.22 0.00 0.00 -0.26 0.00 0.00 57.72 58.61 2kob n HIS 165 Cb 0.54 -2.70 0.00 0.00 1.12 0.00 0.00 29.99 28.95 2kob n HIS 165 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kob n HIS 166 N -0.36 -0.02 -3.85 4.41 -0.00 -1.26 -4.95 115.22 109.19 2kob n HIS 166 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.41 2kob n HIS 166 Cb 0.60 0.05 -0.13 0.00 -0.00 0.00 0.00 29.99 30.51 2kob n HIS 166 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kob s HIS 167 N -1.10 2.96 0.00 4.41 5.04 -1.26 -5.26 115.29 120.08 2kob s HIS 167 Ca 0.00 -3.04 0.00 0.00 -1.54 0.00 0.00 55.06 50.48 2kob s HIS 167 Cb 0.00 -2.46 0.00 0.00 0.04 0.00 0.00 32.58 30.16 2kob s HIS 167 CO 0.00 -0.68 0.00 0.72 -2.34 0.00 0.00 174.74 172.44