#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohk s GLY 2 N 0.00 1.87 0.36 7.63 0.00 -0.71 -4.91 107.32 111.56 1ohk s GLY 2 Ca 0.00 -1.95 0.07 0.00 0.00 0.00 0.00 44.72 42.84 1ohk s GLY 2 CO 0.00 -1.73 0.44 -0.56 0.00 0.00 0.00 173.10 171.25 1ohk s SER 3 N -3.41 5.67 -0.22 1.64 0.01 -1.26 -4.72 113.70 111.42 1ohk s SER 3 Ca 0.35 -0.35 -0.28 0.00 1.31 0.00 0.00 55.95 56.97 1ohk s SER 3 Cb 0.08 -1.00 -0.05 0.00 0.21 0.00 0.00 66.02 65.26 1ohk s SER 3 CO 0.13 -0.50 2.13 -0.22 0.41 0.00 0.00 173.24 175.19 1ohk s LEU 4 N -4.17 3.51 -0.05 2.44 2.96 -1.02 -4.31 118.68 118.04 1ohk s LEU 4 Ca 0.46 1.84 -0.00 0.00 -0.22 0.00 0.00 54.13 56.21 1ohk s LEU 4 Cb -0.08 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1ohk s LEU 4 CO 0.30 -1.87 -0.01 0.20 -1.32 0.00 0.00 176.35 173.66 1ohk s ASN 5 N 7.69 5.13 -0.04 3.68 0.01 -0.92 -1.52 114.94 128.98 1ohk s ASN 5 Ca 0.96 0.07 0.06 0.00 -0.71 0.00 0.00 52.86 53.25 1ohk s ASN 5 Cb -0.32 -1.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.93 1ohk s ASN 5 CO 0.35 0.34 -0.23 0.00 -1.51 0.00 0.00 177.10 176.05 1ohk s ILE 7 N -0.44 0.91 0.05 0.00 2.07 0.34 0.88 121.20 125.01 1ohk s ILE 7 Ca 0.05 -0.28 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 1ohk s ILE 7 Cb -0.12 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.45 1ohk s ILE 7 CO 0.01 0.30 -0.06 0.54 -1.91 0.00 0.00 174.94 173.82 1ohk s VAL 8 N 1.75 0.44 -0.10 4.00 0.11 -0.70 -4.13 120.40 121.76 1ohk s VAL 8 Ca 0.04 -1.36 0.04 0.00 -2.93 0.00 0.00 61.98 57.77 1ohk s VAL 8 Cb -0.13 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1ohk s VAL 8 CO -0.08 -0.61 -0.23 0.00 -3.33 0.00 0.00 175.10 170.85 1ohk s ALA 9 N -2.30 2.13 0.07 1.54 0.00 -1.26 -2.24 121.76 119.71 1ohk s ALA 9 Ca -0.04 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1ohk s ALA 9 Cb -0.04 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1ohk s ALA 9 CO -0.03 0.23 -0.22 0.54 0.00 0.00 0.00 175.76 176.28 1ohk s VAL 10 N 0.44 1.81 0.07 0.00 0.11 0.38 -4.47 120.40 118.73 1ohk s VAL 10 Ca -0.17 -1.41 0.01 0.00 -2.93 0.00 0.00 61.98 57.49 1ohk s VAL 10 Cb -0.17 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 1ohk s VAL 10 CO 0.07 0.12 0.18 -0.94 -3.33 0.00 0.00 175.10 171.20 1ohk s SER 11 N -1.54 6.16 0.44 3.54 1.04 -0.82 0.16 113.70 122.67 1ohk s SER 11 Ca 0.08 0.19 0.30 0.00 0.48 0.00 0.00 55.95 57.01 1ohk s SER 11 Cb -0.09 -1.84 1.42 0.00 0.10 0.00 0.00 66.02 65.60 1ohk s SER 11 CO 0.03 0.16 1.63 -0.61 0.98 0.00 0.00 173.24 175.43 1ohk h GLN 12 N 3.06 0.09 0.00 4.02 4.15 -0.23 1.45 115.11 127.64 1ohk h GLN 12 Ca -0.46 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1ohk h GLN 12 Cb 1.16 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1ohk h GLN 12 CO 0.73 0.06 0.00 0.27 -1.93 0.00 0.00 178.83 177.96 1ohk n ASN 13 N -4.69 0.00 -0.02 -0.69 6.94 -1.26 -4.88 115.26 110.65 1ohk n ASN 13 Ca 0.37 -0.68 -0.00 0.00 -0.02 0.00 0.00 54.58 54.25 1ohk n ASN 13 Cb 1.42 -0.07 -0.00 0.00 -2.36 0.00 0.00 39.78 38.77 1ohk n ASN 13 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1ohk n MET 14 N -1.07 -0.04 -3.06 -3.83 1.56 0.49 -4.98 117.12 106.20 1ohk n MET 14 Ca 0.19 0.29 -0.40 0.00 -0.27 0.00 0.00 57.70 57.51 1ohk n MET 14 Cb 0.12 -3.58 -0.05 0.00 2.15 0.00 0.00 33.22 31.85 1ohk n MET 14 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1ohk s GLY 15 N -2.54 2.72 0.00 -5.12 0.00 -1.23 0.97 107.32 102.12 1ohk s GLY 15 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.91 1ohk s GLY 15 CO 0.00 1.00 0.00 0.29 0.00 0.00 0.00 173.10 174.39 1ohk n ILE 16 N 2.88 0.00 -3.91 0.90 -5.35 -0.95 -1.95 119.36 110.98 1ohk n ILE 16 Ca -0.04 -0.01 -0.09 0.00 -0.27 0.00 0.00 62.75 62.35 1ohk n ILE 16 Cb 0.51 0.44 -0.04 0.00 -1.74 0.00 0.00 39.64 38.80 1ohk n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ohk s GLY 17 N -1.68 0.23 -0.30 3.28 0.00 -1.11 -4.37 107.32 103.38 1ohk s GLY 17 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 44.72 44.08 1ohk s GLY 17 CO 0.00 -0.40 0.88 1.25 0.00 0.00 0.00 173.10 174.83 1ohk s LYS 18 N -3.96 0.31 -0.63 2.90 2.20 -0.10 -2.16 119.74 118.29 1ohk s LYS 18 Ca 0.17 0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 55.94 1ohk s LYS 18 Cb -0.02 0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1ohk s LYS 18 CO 0.06 -0.55 0.65 0.09 -0.36 0.00 0.00 175.35 175.24 1ohk n ASN 19 N 5.09 -7.31 -1.93 1.43 3.02 -1.26 -3.20 115.26 111.10 1ohk n ASN 19 Ca 0.08 -0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.62 1ohk n ASN 19 Cb 0.57 -4.61 -0.00 0.00 -0.61 0.00 0.00 39.78 35.13 1ohk n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ohk n GLY 20 N -1.18 -0.26 0.39 7.41 0.00 -1.26 -4.81 105.19 105.49 1ohk n GLY 20 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1ohk n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ohk n ASP 21 N -0.61 -0.15 -4.75 1.61 2.03 -1.19 -4.29 116.55 109.19 1ohk n ASP 21 Ca -0.01 -1.23 -0.39 0.00 0.52 0.00 0.00 54.79 53.67 1ohk n ASP 21 Cb 0.33 0.28 -0.05 0.00 -0.72 0.00 0.00 41.12 40.96 1ohk n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ohk s LEU 22 N 0.00 4.41 0.50 -2.67 1.02 -1.26 -0.93 118.68 119.75 1ohk s LEU 22 Ca 0.04 1.26 0.23 0.00 0.02 0.00 0.00 54.13 55.68 1ohk s LEU 22 Cb -0.00 -3.06 1.24 0.00 0.02 0.00 0.00 46.19 44.39 1ohk s LEU 22 CO 0.03 0.03 1.66 -0.65 0.02 0.00 0.00 176.35 177.44 1ohk h PRO 23 N 5.85 0.00 -4.64 1.29 0.11 -1.82 -3.43 132.00 129.36 1ohk h PRO 23 Ca -0.44 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.43 1ohk h PRO 23 Cb 1.20 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 1ohk h PRO 23 CO 0.71 0.00 -0.67 1.67 -0.21 0.00 0.00 178.00 179.50 1ohk s TRP 24 N -3.74 1.02 0.53 0.65 -2.14 -1.26 -4.68 118.94 109.33 1ohk s TRP 24 Ca -0.03 -1.06 -0.20 0.00 2.66 0.00 0.00 56.10 57.48 1ohk s TRP 24 Cb 0.07 -0.59 -0.08 0.00 -3.10 0.00 0.00 33.47 29.76 1ohk s TRP 24 CO 0.21 -0.29 0.73 -2.30 -2.66 0.00 0.00 176.95 172.64 1ohk n PRO 25 N -0.15 0.77 -2.09 3.25 -0.02 -1.26 -4.86 135.00 130.65 1ohk n PRO 25 Ca -0.08 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.28 1ohk n PRO 25 Cb 0.63 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 1ohk n PRO 25 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ohk s PRO 26 N -2.19 4.31 -0.58 0.52 0.05 -1.26 -4.96 135.00 130.88 1ohk s PRO 26 Ca 0.69 2.21 -0.07 0.00 0.05 0.00 0.00 61.00 63.88 1ohk s PRO 26 Cb -0.48 -3.16 0.15 0.00 0.05 0.00 0.00 34.50 31.07 1ohk s PRO 26 CO 0.53 -0.39 0.43 -0.51 0.05 0.00 0.00 177.00 177.11 1ohk s LEU 27 N 0.02 5.63 0.38 -3.56 1.43 -1.26 -5.05 118.68 116.27 1ohk s LEU 27 Ca 0.60 -2.43 0.08 0.00 -1.03 0.00 0.00 54.13 51.36 1ohk s LEU 27 Cb -0.40 -1.96 0.83 0.00 0.03 0.00 0.00 46.19 44.69 1ohk s LEU 27 CO 0.39 -0.53 1.95 0.08 0.23 0.00 0.00 176.35 178.47 1ohk h ARG 28 N 7.73 0.64 0.00 1.70 -0.00 -1.99 -0.17 114.38 122.29 1ohk h ARG 28 Ca -0.07 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.98 59.82 1ohk h ARG 28 Cb 1.02 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 30.84 1ohk h ARG 28 CO 0.76 0.42 -0.21 -0.91 -0.00 0.00 0.00 179.97 180.04 1ohk h ASN 29 N 0.66 0.00 0.26 0.08 2.35 -1.99 -1.62 115.58 115.31 1ohk h ASN 29 Ca 0.33 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.95 1ohk h ASN 29 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1ohk h ASN 29 CO -0.11 0.21 -0.47 -0.08 -1.65 0.00 0.00 177.43 175.32 1ohk h GLU 30 N 0.00 0.25 -0.02 0.81 4.22 -1.48 -2.15 114.58 116.21 1ohk h GLU 30 Ca -0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.29 1ohk h GLU 30 Cb 0.71 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1ohk h GLU 30 CO 0.03 0.68 -0.01 0.74 -2.18 0.00 0.00 179.01 178.26 1ohk h PHE 31 N 0.20 0.06 -0.55 0.92 0.04 -1.17 -1.73 116.94 114.71 1ohk h PHE 31 Ca 0.01 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1ohk h PHE 31 Cb 0.91 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 1ohk h PHE 31 CO 0.02 0.47 0.28 0.00 -0.60 0.00 0.00 178.31 178.47 1ohk h ARG 32 N -0.36 0.77 -0.19 1.51 3.08 -1.20 0.54 114.38 118.52 1ohk h ARG 32 Ca 0.01 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1ohk h ARG 32 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1ohk h ARG 32 CO 0.00 0.59 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.39 1ohk h TYR 33 N 0.77 0.54 -0.21 3.04 3.20 -1.39 0.12 116.97 123.04 1ohk h TYR 33 Ca 0.19 -0.16 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1ohk h TYR 33 Cb 0.06 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1ohk h TYR 33 CO 0.01 0.81 0.05 0.35 -1.64 0.00 0.00 178.16 177.74 1ohk h PHE 34 N 0.11 0.09 -0.20 -3.82 3.04 -0.68 -1.92 116.94 113.56 1ohk h PHE 34 Ca 0.03 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.03 1ohk h PHE 34 Cb 0.71 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 1ohk h PHE 34 CO 0.08 0.03 0.01 0.37 -2.02 0.00 0.00 178.31 176.78 1ohk h GLN 35 N 0.14 0.07 -1.16 1.11 4.15 0.24 -3.19 115.11 116.48 1ohk h GLN 35 Ca 0.09 -0.00 0.36 0.00 0.77 0.00 0.00 58.65 59.87 1ohk h GLN 35 Cb 0.08 -0.02 -0.12 0.00 0.21 0.00 0.00 27.48 27.63 1ohk h GLN 35 CO -0.11 0.05 0.73 -0.09 -1.93 0.00 0.00 178.83 177.47 1ohk h ARG 36 N 0.07 0.22 0.03 1.69 2.43 -0.01 -2.44 114.38 116.38 1ohk h ARG 36 Ca 0.09 -0.01 -0.37 0.00 -0.81 0.00 0.00 59.98 58.89 1ohk h ARG 36 Cb 0.12 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1ohk h ARG 36 CO -0.16 0.15 -2.08 -1.33 -1.51 0.00 0.00 179.97 175.04 1ohk n MET 37 N -4.76 0.63 0.16 0.20 2.81 -0.88 -3.32 117.12 111.97 1ohk n MET 37 Ca 0.32 0.32 0.05 0.00 -1.81 0.00 0.00 57.70 56.58 1ohk n MET 37 Cb 1.16 -1.61 0.16 0.00 -0.71 0.00 0.00 33.22 32.22 1ohk n MET 37 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1ohk h THR 38 N -0.54 0.79 0.00 2.03 1.35 -1.55 -3.36 112.91 111.63 1ohk h THR 38 Ca -0.52 -1.87 -0.21 0.00 -0.55 0.00 0.00 66.41 63.25 1ohk h THR 38 Cb 1.69 2.21 -0.03 0.00 -1.73 0.00 0.00 68.15 70.29 1ohk h THR 38 CO -0.18 0.41 -1.37 0.41 -0.25 0.00 0.00 175.52 174.54 1ohk n THR 39 N -3.30 1.50 -1.42 6.82 -1.04 -0.92 -4.63 114.28 111.29 1ohk n THR 39 Ca 0.01 -0.04 -0.47 0.00 -2.04 0.00 0.00 64.05 61.51 1ohk n THR 39 Cb 0.64 -2.12 -0.13 0.00 -1.82 0.00 0.00 70.33 66.90 1ohk n THR 39 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ohk n THR 40 N -4.43 0.01 -4.81 12.58 -1.04 -1.21 -4.54 114.28 110.83 1ohk n THR 40 Ca -0.30 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.05 61.39 1ohk n THR 40 Cb 0.62 -0.70 -0.16 0.00 -1.82 0.00 0.00 70.33 68.27 1ohk n THR 40 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ohk s SER 41 N 8.18 2.10 -0.06 8.00 0.15 -1.26 -4.97 113.70 125.84 1ohk s SER 41 Ca 1.27 -0.34 -0.17 0.00 0.70 0.00 0.00 55.95 57.41 1ohk s SER 41 Cb -1.25 -0.57 -0.30 0.00 -1.71 0.00 0.00 66.02 62.20 1ohk s SER 41 CO 0.53 0.15 0.73 0.77 1.20 0.00 0.00 173.24 176.62 1ohk h SER 42 N 6.23 0.50 -3.98 5.45 4.64 -1.93 -3.45 113.55 121.01 1ohk h SER 42 Ca -0.33 -0.90 -0.54 0.00 -0.47 0.00 0.00 61.79 59.55 1ohk h SER 42 Cb 1.17 -0.16 0.11 0.00 -0.31 0.00 0.00 62.40 63.21 1ohk h SER 42 CO 0.48 1.59 0.66 -0.69 -0.87 0.00 0.00 176.83 177.99 1ohk s VAL 43 N -2.49 2.27 -0.16 0.95 1.01 -1.26 -4.92 120.40 115.80 1ohk s VAL 43 Ca -0.16 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1ohk s VAL 43 Cb 0.03 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1ohk s VAL 43 CO 0.82 0.03 0.13 -0.70 0.00 0.00 0.00 175.10 175.38 1ohk s GLU 44 N -2.44 3.79 0.00 2.72 2.56 -1.26 -4.12 118.70 119.96 1ohk s GLU 44 Ca 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 54.97 55.40 1ohk s GLU 44 Cb -0.41 -3.29 0.00 0.00 2.00 0.00 0.00 34.13 32.42 1ohk s GLU 44 CO 0.53 0.55 0.00 0.41 -0.56 0.00 0.00 175.26 176.18 1ohk n GLY 45 N 2.72 2.85 3.65 -1.50 0.00 -1.26 -5.08 105.19 106.58 1ohk n GLY 45 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1ohk n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ohk s LYS 46 N -0.52 2.80 0.39 1.61 1.02 -1.26 -4.83 119.74 118.95 1ohk s LYS 46 Ca 0.00 -0.56 0.08 0.00 0.02 0.00 0.00 55.97 55.50 1ohk s LYS 46 Cb 0.00 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1ohk s LYS 46 CO 0.00 0.65 0.37 -0.65 -0.92 0.00 0.00 175.35 174.80 1ohk s GLN 47 N -1.23 2.63 0.50 1.68 -0.21 -0.82 -4.83 119.66 117.37 1ohk s GLN 47 Ca 0.16 -1.43 0.04 0.00 0.02 0.00 0.00 55.36 54.15 1ohk s GLN 47 Cb -0.11 -2.45 0.02 0.00 1.00 0.00 0.00 33.01 31.47 1ohk s GLN 47 CO 0.06 -0.11 0.69 -0.80 -2.12 0.00 0.00 175.29 173.02 1ohk s ASN 48 N -4.11 5.44 -0.04 5.90 0.01 -1.26 0.11 114.94 121.00 1ohk s ASN 48 Ca 0.46 -0.15 0.05 0.00 -0.71 0.00 0.00 52.86 52.51 1ohk s ASN 48 Cb -0.05 -0.83 -0.01 0.00 0.41 0.00 0.00 41.25 40.78 1ohk s ASN 48 CO 0.28 -0.98 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.49 1ohk s LEU 49 N -4.60 1.96 -0.23 0.60 2.96 0.70 -0.20 118.68 119.86 1ohk s LEU 49 Ca 0.56 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1ohk s LEU 49 Cb -0.10 -0.99 0.02 0.00 0.50 0.00 0.00 46.19 45.61 1ohk s LEU 49 CO 0.36 0.18 -0.08 0.68 -1.32 0.00 0.00 176.35 176.17 1ohk s VAL 50 N -0.10 2.80 -0.22 1.68 -7.23 -0.95 -0.17 120.40 116.21 1ohk s VAL 50 Ca -0.01 -0.94 -0.10 0.00 -1.81 0.00 0.00 61.98 59.12 1ohk s VAL 50 Cb -0.10 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 1ohk s VAL 50 CO 0.02 0.29 0.14 -0.63 -0.31 0.00 0.00 175.10 174.60 1ohk s ILE 51 N 1.34 5.34 0.05 -0.62 1.09 -0.11 -0.94 121.20 127.34 1ohk s ILE 51 Ca 0.02 0.17 -0.06 0.00 -1.10 0.00 0.00 60.65 59.68 1ohk s ILE 51 Cb -0.16 -3.46 -0.01 0.00 -1.06 0.00 0.00 42.46 37.77 1ohk s ILE 51 CO -0.06 0.39 0.10 0.00 -0.10 0.00 0.00 174.94 175.28 1ohk s MET 52 N 0.75 0.65 0.84 2.79 0.23 0.15 -2.61 119.30 122.10 1ohk s MET 52 Ca 0.07 -0.86 -0.10 0.00 -1.03 0.00 0.00 55.69 53.78 1ohk s MET 52 Cb -0.12 0.26 0.14 0.00 -1.53 0.00 0.00 34.83 33.58 1ohk s MET 52 CO 0.02 -0.17 1.17 0.20 -2.03 0.00 0.00 175.02 174.20 1ohk s GLY 53 N -2.40 1.74 0.03 3.16 0.00 -0.33 -1.01 107.32 108.51 1ohk s GLY 53 Ca -0.01 -1.25 -0.28 0.00 0.00 0.00 0.00 44.72 43.18 1ohk s GLY 53 CO -0.07 -0.62 1.32 1.70 0.00 0.00 0.00 173.10 175.43 1ohk h LYS 54 N -1.10 -0.76 0.00 2.90 3.64 -1.73 -2.86 116.57 116.67 1ohk h LYS 54 Ca -0.42 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1ohk h LYS 54 Cb 1.27 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1ohk h LYS 54 CO 0.45 -0.45 0.03 1.63 -2.27 0.00 0.00 179.45 178.84 1ohk n LYS 55 N -5.35 0.10 -0.02 1.90 5.02 -1.26 -2.49 118.16 116.05 1ohk n LYS 55 Ca -0.12 0.59 -0.21 0.00 -2.02 0.00 0.00 58.31 56.55 1ohk n LYS 55 Cb 0.35 -1.86 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 1ohk n LYS 55 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ohk n THR 56 N -2.04 1.72 -0.08 -0.18 -1.04 -1.21 -3.84 114.28 107.61 1ohk n THR 56 Ca -0.01 -0.53 -0.06 0.00 -2.04 0.00 0.00 64.05 61.40 1ohk n THR 56 Cb 0.05 -1.78 -0.00 0.00 -1.82 0.00 0.00 70.33 66.78 1ohk n THR 56 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1ohk h TRP 57 N -0.15 -0.23 0.00 -1.42 2.91 -1.24 -3.13 115.95 112.68 1ohk h TRP 57 Ca -0.42 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.61 1ohk h TRP 57 Cb 1.89 0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 30.68 1ohk h TRP 57 CO 0.08 -0.16 -0.09 0.74 -1.03 0.00 0.00 178.44 177.97 1ohk h PHE 58 N -0.04 0.00 -0.25 2.65 0.04 -1.71 -3.11 116.94 114.53 1ohk h PHE 58 Ca 0.15 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.79 1ohk h PHE 58 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1ohk h PHE 58 CO -0.31 0.09 -0.39 0.66 -0.60 0.00 0.00 178.31 177.76 1ohk h SER 59 N 0.00 0.60 -2.97 2.17 4.64 -1.65 -3.43 113.55 112.91 1ohk h SER 59 Ca -0.00 -0.26 -0.57 0.00 -0.47 0.00 0.00 61.79 60.49 1ohk h SER 59 Cb 0.20 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 1ohk h SER 59 CO 0.01 0.93 1.15 -0.63 -0.87 0.00 0.00 176.83 177.42 1ohk s ILE 60 N -4.27 3.72 0.21 0.95 1.01 -1.18 -4.99 121.20 116.66 1ohk s ILE 60 Ca -0.07 0.75 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 1ohk s ILE 60 Cb 0.12 -3.92 -0.16 0.00 0.01 0.00 0.00 42.46 38.52 1ohk s ILE 60 CO 0.82 -0.55 0.44 -2.65 0.00 0.00 0.00 174.94 173.01 1ohk n PRO 61 N 8.12 0.00 -0.32 2.79 -0.02 -1.26 -4.82 135.00 139.48 1ohk n PRO 61 Ca 0.19 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 1ohk n PRO 61 Cb 0.47 -0.95 0.31 0.00 -0.02 0.00 0.00 33.50 33.31 1ohk n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ohk h GLU 62 N 0.87 0.54 -0.75 -0.52 4.22 -1.93 -1.60 114.58 115.41 1ohk h GLU 62 Ca -0.28 -0.03 0.17 0.00 0.08 0.00 0.00 59.36 59.30 1ohk h GLU 62 Cb 1.37 -0.12 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 1ohk h GLU 62 CO 0.53 0.36 0.03 -0.22 -2.18 0.00 0.00 179.01 177.53 1ohk h LYS 63 N 0.56 0.12 -0.62 1.92 3.64 -2.00 0.14 116.57 120.32 1ohk h LYS 63 Ca 0.56 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1ohk h LYS 63 Cb 0.99 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1ohk h LYS 63 CO -0.45 0.08 0.00 0.09 -2.27 0.00 0.00 179.45 176.89 1ohk n ASN 64 N -5.32 5.28 -4.64 4.20 3.02 -0.61 -4.90 115.26 112.29 1ohk n ASN 64 Ca 0.14 -2.73 -0.35 0.00 -0.03 0.00 0.00 54.58 51.61 1ohk n ASN 64 Cb 0.47 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.90 1ohk n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ohk s ARG 65 N -2.39 4.00 0.40 3.52 0.52 0.48 -2.15 118.95 123.32 1ohk s ARG 65 Ca 0.52 -0.32 -0.20 0.00 -0.52 0.00 0.00 55.73 55.21 1ohk s ARG 65 Cb 0.38 -3.30 -0.10 0.00 0.52 0.00 0.00 34.95 32.44 1ohk s ARG 65 CO 0.19 0.21 0.90 -1.25 0.02 0.00 0.00 175.30 175.37 1ohk s PRO 66 N 0.57 4.20 -0.02 3.54 0.04 -1.24 -4.92 135.00 137.15 1ohk s PRO 66 Ca 0.05 1.03 -0.40 0.00 0.04 0.00 0.00 61.00 61.72 1ohk s PRO 66 Cb -0.13 -2.27 -0.19 0.00 0.04 0.00 0.00 34.50 31.96 1ohk s PRO 66 CO 0.01 0.03 1.20 1.28 0.04 0.00 0.00 177.00 179.56 1ohk n LEU 67 N -0.52 0.60 -4.69 -3.56 4.77 -0.91 -4.86 117.00 107.82 1ohk n LEU 67 Ca 0.06 1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 56.77 1ohk n LEU 67 Cb 0.54 -1.00 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 1ohk n LEU 67 CO 0.38 -1.55 1.45 -1.59 -1.33 0.00 0.00 177.39 174.75 1ohk s LYS 68 N 0.47 4.14 -0.69 3.23 -2.85 -1.26 -3.94 119.74 118.84 1ohk s LYS 68 Ca 0.91 2.58 0.00 0.00 -1.00 0.00 0.00 55.97 58.45 1ohk s LYS 68 Cb -1.20 -3.54 0.00 0.00 -2.06 0.00 0.00 37.83 31.03 1ohk s LYS 68 CO 0.56 -0.82 0.00 0.41 0.10 0.00 0.00 175.35 175.60 1ohk n GLY 69 N 4.19 0.22 3.27 0.59 0.00 -1.26 -4.94 105.19 107.27 1ohk n GLY 69 Ca 0.17 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1ohk n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ohk s ARG 70 N -4.07 0.49 0.06 1.61 0.52 -1.25 -4.33 118.95 111.99 1ohk s ARG 70 Ca 0.00 0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.33 1ohk s ARG 70 Cb 0.00 0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.65 1ohk s ARG 70 CO 0.00 -0.08 1.13 0.42 0.02 0.00 0.00 175.30 176.80 1ohk s ILE 71 N -0.04 4.20 -0.25 1.52 -1.09 0.71 -4.77 121.20 121.48 1ohk s ILE 71 Ca -0.02 1.62 -0.21 0.00 -2.23 0.00 0.00 60.65 59.81 1ohk s ILE 71 Cb -0.03 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 1ohk s ILE 71 CO 0.01 0.15 0.64 0.20 -1.23 0.00 0.00 174.94 174.71 1ohk s ASN 72 N 0.88 6.60 -0.07 3.58 0.01 -1.26 -2.24 114.94 122.43 1ohk s ASN 72 Ca 0.56 0.73 0.02 0.00 -0.71 0.00 0.00 52.86 53.46 1ohk s ASN 72 Cb -0.28 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.06 1ohk s ASN 72 CO 0.30 -0.38 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.17 1ohk s LEU 73 N 2.50 1.59 -0.15 0.60 0.20 -0.11 -2.85 118.68 120.46 1ohk s LEU 73 Ca 0.27 -0.30 -0.04 0.00 0.69 0.00 0.00 54.13 54.75 1ohk s LEU 73 Cb -0.15 -0.83 -0.03 0.00 -0.43 0.00 0.00 46.19 44.75 1ohk s LEU 73 CO 0.08 0.02 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.45 1ohk s VAL 74 N 0.78 4.05 -0.23 1.68 1.01 0.38 0.32 120.40 128.39 1ohk s VAL 74 Ca -0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1ohk s VAL 74 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1ohk s VAL 74 CO 0.02 0.50 0.01 -0.76 0.00 0.00 0.00 175.10 174.87 1ohk s LEU 75 N 0.25 3.19 -0.09 3.92 1.43 -0.18 -0.70 118.68 126.49 1ohk s LEU 75 Ca -0.02 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 1ohk s LEU 75 Cb -0.14 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.31 1ohk s LEU 75 CO 0.02 -0.00 0.53 -0.44 0.23 0.00 0.00 176.35 176.69 1ohk s SER 76 N 1.41 -0.50 0.00 2.29 0.01 -1.22 -1.84 113.70 113.86 1ohk s SER 76 Ca 0.05 0.66 0.12 0.00 1.31 0.00 0.00 55.95 58.09 1ohk s SER 76 Cb -0.15 0.66 0.30 0.00 0.21 0.00 0.00 66.02 67.04 1ohk s SER 76 CO 0.01 -0.43 1.22 0.54 0.41 0.00 0.00 173.24 174.98 1ohk n ARG 77 N 1.60 2.54 0.00 12.44 1.74 -1.26 -4.04 116.66 129.68 1ohk n ARG 77 Ca -0.18 -1.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 1ohk n ARG 77 Cb 0.56 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 1ohk n ARG 77 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1ohk n GLU 78 N 0.61 2.18 -1.08 5.56 2.13 -1.26 -5.07 120.64 123.72 1ohk n GLU 78 Ca 0.12 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.70 1ohk n GLU 78 Cb 0.42 -0.97 0.19 0.00 0.27 0.00 0.00 31.44 31.35 1ohk n GLU 78 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ohk n LEU 79 N -1.68 0.00 0.00 4.31 4.77 -1.26 -4.99 117.00 118.14 1ohk n LEU 79 Ca 0.00 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1ohk n LEU 79 Cb 0.25 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1ohk n LEU 79 CO 0.00 -1.70 -0.42 0.29 -1.33 0.00 0.00 177.39 174.24 1ohk n LYS 80 N -3.86 1.54 -4.33 3.23 5.02 -1.26 -5.02 118.16 113.49 1ohk n LYS 80 Ca 0.13 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.15 1ohk n LYS 80 Cb 0.47 -0.92 -0.10 0.00 -0.02 0.00 0.00 35.03 34.46 1ohk n LYS 80 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ohk s GLU 81 N -1.83 1.91 0.38 1.97 2.02 -1.26 -5.12 118.70 116.76 1ohk s GLU 81 Ca 0.00 -1.34 -0.25 0.00 0.02 0.00 0.00 54.97 53.41 1ohk s GLU 81 Cb 0.00 -2.07 -0.09 0.00 0.10 0.00 0.00 34.13 32.07 1ohk s GLU 81 CO 0.00 0.43 1.05 -1.25 0.02 0.00 0.00 175.26 175.50 1ohk s PRO 82 N -2.77 4.24 0.39 0.39 0.04 -1.26 -4.97 135.00 131.05 1ohk s PRO 82 Ca 0.24 1.52 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1ohk s PRO 82 Cb -0.09 -2.62 -0.12 0.00 0.04 0.00 0.00 34.50 31.71 1ohk s PRO 82 CO 0.14 -0.08 0.79 -2.30 0.04 0.00 0.00 177.00 175.59 1ohk n PRO 83 N 0.09 0.94 -1.77 0.56 -0.02 -1.26 -4.84 135.00 128.69 1ohk n PRO 83 Ca 0.04 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1ohk n PRO 83 Cb 0.49 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 1ohk n PRO 83 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ohk s GLN 84 N -1.71 4.14 0.00 -0.52 0.74 -1.26 -2.90 119.66 118.15 1ohk s GLN 84 Ca 0.63 2.56 0.00 0.00 0.05 0.00 0.00 55.36 58.59 1ohk s GLN 84 Cb -0.62 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.40 1ohk s GLN 84 CO 0.58 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 1ohk n GLY 85 N 3.88 3.28 3.72 2.59 0.00 -1.26 -4.93 105.19 112.47 1ohk n GLY 85 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ohk n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ohk s ALA 86 N -2.97 3.28 0.04 4.61 0.00 -1.14 -3.69 121.76 121.88 1ohk s ALA 86 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1ohk s ALA 86 Cb 0.00 -3.10 -0.25 0.00 0.00 0.00 0.00 23.12 19.76 1ohk s ALA 86 CO 0.00 -0.12 0.98 0.45 0.00 0.00 0.00 175.76 177.07 1ohk h HIS 87 N 6.55 0.25 -3.87 0.00 -0.00 -1.81 -3.44 115.15 112.84 1ohk h HIS 87 Ca -0.42 -0.18 -0.10 0.00 -0.00 0.00 0.00 60.37 59.67 1ohk h HIS 87 Cb 1.21 -0.01 -0.13 0.00 -0.00 0.00 0.00 27.41 28.48 1ohk h HIS 87 CO 0.66 1.20 -0.35 -0.06 -0.00 0.00 0.00 177.93 179.38 1ohk s PHE 88 N -2.64 0.31 -0.03 2.45 0.40 -1.13 -5.03 117.98 112.31 1ohk s PHE 88 Ca -0.05 -0.70 0.03 0.00 -0.60 0.00 0.00 56.93 55.61 1ohk s PHE 88 Cb 0.08 -0.07 -0.00 0.00 0.51 0.00 0.00 43.02 43.54 1ohk s PHE 88 CO 0.84 -0.65 -0.12 -1.17 0.70 0.00 0.00 175.22 174.82 1ohk s LEU 89 N -2.93 1.88 -0.16 -0.37 2.96 -1.26 -0.47 118.68 118.33 1ohk s LEU 89 Ca 0.13 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.73 1ohk s LEU 89 Cb 0.04 -0.70 0.07 0.00 0.50 0.00 0.00 46.19 46.11 1ohk s LEU 89 CO -0.04 0.11 0.36 -0.44 -1.32 0.00 0.00 176.35 175.02 1ohk s SER 90 N 0.03 -0.12 0.28 3.68 0.01 0.12 -4.95 113.70 112.75 1ohk s SER 90 Ca -0.01 0.82 0.22 0.00 1.31 0.00 0.00 55.95 58.28 1ohk s SER 90 Cb -0.09 0.97 1.04 0.00 0.21 0.00 0.00 66.02 68.16 1ohk s SER 90 CO 0.01 -0.22 1.67 0.54 0.41 0.00 0.00 173.24 175.65 1ohk n ARG 91 N 5.07 0.17 -3.54 12.44 5.12 -1.26 -3.37 116.66 131.29 1ohk n ARG 91 Ca -0.12 0.52 -0.11 0.00 -1.93 0.00 0.00 57.85 56.21 1ohk n ARG 91 Cb 0.51 -1.90 -0.04 0.00 -1.16 0.00 0.00 32.46 29.87 1ohk n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ohk s SER 92 N -4.12 -0.40 0.54 0.55 1.04 -1.26 -4.71 113.70 105.33 1ohk s SER 92 Ca 0.01 0.28 0.21 0.00 0.48 0.00 0.00 55.95 56.94 1ohk s SER 92 Cb 0.08 0.37 1.46 0.00 0.10 0.00 0.00 66.02 68.02 1ohk s SER 92 CO 0.30 -0.49 2.17 0.25 0.98 0.00 0.00 173.24 176.46 1ohk h LEU 93 N 2.39 0.00 -0.26 2.42 5.85 -1.99 -1.14 115.31 122.57 1ohk h LEU 93 Ca -0.21 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1ohk h LEU 93 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1ohk h LEU 93 CO 0.32 0.02 0.04 0.44 -0.34 0.00 0.00 178.44 178.92 1ohk h ASP 94 N 0.00 0.42 1.14 1.25 3.32 -2.00 -3.09 116.42 117.46 1ohk h ASP 94 Ca -0.00 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 1ohk h ASP 94 Cb 0.04 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1ohk h ASP 94 CO 0.00 0.57 -0.46 -2.24 -1.72 0.00 0.00 179.24 175.40 1ohk h ASP 95 N 0.25 0.00 -0.28 6.45 3.04 -1.71 -3.02 116.42 121.15 1ohk h ASP 95 Ca 0.08 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.94 1ohk h ASP 95 Cb 0.33 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.55 1ohk h ASP 95 CO 0.01 0.46 -0.21 0.00 -2.04 0.00 0.00 179.24 177.46 1ohk h ALA 96 N 1.54 -0.03 -0.13 4.15 0.00 -1.17 -1.34 119.26 122.28 1ohk h ALA 96 Ca -0.00 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1ohk h ALA 96 Cb 1.15 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1ohk h ALA 96 CO 0.06 -0.61 -0.39 -0.07 0.00 0.00 0.00 179.25 178.24 1ohk h LEU 97 N -0.19 0.29 -0.89 0.00 3.38 -1.52 -2.99 115.31 113.40 1ohk h LEU 97 Ca 0.15 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ohk h LEU 97 Cb 0.42 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1ohk h LEU 97 CO -0.39 0.66 0.59 0.11 0.09 0.00 0.00 178.44 179.49 1ohk h LYS 98 N 0.24 1.15 -0.69 1.13 1.57 -1.30 -1.83 116.57 116.84 1ohk h LYS 98 Ca 0.02 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ohk h LYS 98 Cb 0.79 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1ohk h LYS 98 CO 0.06 0.76 0.45 1.25 -0.57 0.00 0.00 179.45 181.40 1ohk h LEU 99 N 1.19 0.76 -0.27 2.94 5.85 -1.14 0.11 115.31 124.74 1ohk h LEU 99 Ca 0.33 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.10 1ohk h LEU 99 Cb -0.12 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.67 1ohk h LEU 99 CO -0.08 0.54 -0.14 0.74 -0.34 0.00 0.00 178.44 179.16 1ohk h THR 100 N 0.90 0.57 -0.60 1.05 2.02 -1.21 -0.11 112.91 115.53 1ohk h THR 100 Ca 0.27 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.40 1ohk h THR 100 Cb -0.05 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1ohk h THR 100 CO -0.08 0.00 0.21 -0.33 0.37 0.00 0.00 175.52 175.69 1ohk h GLU 101 N -0.11 0.90 -6.51 6.66 4.39 -0.93 -1.53 114.58 117.46 1ohk h GLU 101 Ca 0.14 -0.16 -0.57 0.00 0.34 0.00 0.00 59.36 59.11 1ohk h GLU 101 Cb 0.32 -0.15 0.18 0.00 -0.10 0.00 0.00 28.75 29.01 1ohk h GLU 101 CO -0.34 0.76 -0.52 0.94 -1.16 0.00 0.00 179.01 178.69 1ohk n GLN 102 N -4.30 0.34 -0.08 2.33 -0.06 0.32 -4.47 117.38 111.47 1ohk n GLN 102 Ca 0.05 0.15 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 1ohk n GLN 102 Cb 0.19 -1.67 0.01 0.00 -4.06 0.00 0.00 30.24 24.71 1ohk n GLN 102 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1ohk n PRO 103 N -0.14 -0.04 -0.03 3.69 -0.01 -1.26 -1.93 135.00 135.28 1ohk n PRO 103 Ca 0.10 0.31 0.06 0.00 -0.01 0.00 0.00 63.50 63.96 1ohk n PRO 103 Cb 0.49 -0.47 -0.16 0.00 -0.01 0.00 0.00 33.50 33.35 1ohk n PRO 103 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 1ohk n GLU 104 N -4.31 0.69 0.18 -0.52 0.00 -1.26 -4.18 120.64 111.24 1ohk n GLU 104 Ca 0.02 -0.14 0.14 0.00 0.00 0.00 0.00 57.16 57.18 1ohk n GLU 104 Cb 0.09 -1.49 0.50 0.00 0.00 0.00 0.00 31.44 30.53 1ohk n GLU 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1ohk h LEU 105 N 0.00 0.00 0.15 -1.84 3.38 -1.55 -3.36 115.31 112.09 1ohk h LEU 105 Ca -0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ohk h LEU 105 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1ohk h LEU 105 CO 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.36 1ohk h ALA 106 N 2.21 -0.85 0.00 1.53 0.00 -0.81 -1.75 119.26 119.59 1ohk h ALA 106 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1ohk h ALA 106 Cb 0.55 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ohk h ALA 106 CO 0.00 -0.87 -0.44 -0.91 0.00 0.00 0.00 179.25 177.03 1ohk h ASN 107 N -0.33 0.00 0.01 0.00 2.35 -1.82 -3.36 115.58 112.43 1ohk h ASN 107 Ca -0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1ohk h ASN 107 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1ohk h ASN 107 CO -0.04 0.44 -0.19 0.11 -1.65 0.00 0.00 177.43 176.11 1ohk h LYS 108 N 0.00 0.02 -6.35 0.81 1.57 -1.72 -3.44 116.57 107.46 1ohk h LYS 108 Ca -0.00 -0.04 -0.55 0.00 -1.87 0.00 0.00 60.65 58.18 1ohk h LYS 108 Cb 0.91 0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.26 1ohk h LYS 108 CO 0.06 1.02 1.19 0.28 -0.57 0.00 0.00 179.45 181.42 1ohk n VAL 109 N -4.55 0.68 -0.01 0.50 0.31 -0.66 -1.95 118.33 112.66 1ohk n VAL 109 Ca -0.12 -0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 64.07 1ohk n VAL 109 Cb 0.53 -2.19 -0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1ohk n VAL 109 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ohk n ASP 110 N 7.09 0.31 -4.41 4.52 2.03 0.12 -4.91 116.55 121.30 1ohk n ASP 110 Ca 0.20 0.05 -0.21 0.00 0.52 0.00 0.00 54.79 55.36 1ohk n ASP 110 Cb 0.38 -0.35 -0.10 0.00 -0.72 0.00 0.00 41.12 40.33 1ohk n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1ohk s MET 111 N -1.30 1.52 -0.09 -0.67 -1.94 -1.26 -1.74 119.30 113.82 1ohk s MET 111 Ca -0.03 -1.76 0.03 0.00 -1.71 0.00 0.00 55.69 52.21 1ohk s MET 111 Cb 0.00 -1.11 0.01 0.00 2.01 0.00 0.00 34.83 35.75 1ohk s MET 111 CO 0.05 0.03 -0.18 0.54 -0.01 0.00 0.00 175.02 175.45 1ohk s VAL 112 N -3.04 1.61 -0.07 -6.03 0.11 -1.26 -0.21 120.40 111.50 1ohk s VAL 112 Ca 0.29 -0.75 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1ohk s VAL 112 Cb 0.04 -1.42 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 1ohk s VAL 112 CO 0.11 0.46 -0.15 0.26 -3.33 0.00 0.00 175.10 172.45 1ohk s TRP 113 N 0.56 2.70 -0.36 1.54 0.52 0.76 -2.16 118.94 122.50 1ohk s TRP 113 Ca -0.16 -0.33 -0.05 0.00 0.02 0.00 0.00 56.10 55.59 1ohk s TRP 113 Cb -0.17 -1.68 0.06 0.00 -1.15 0.00 0.00 33.47 30.54 1ohk s TRP 113 CO 0.05 0.05 0.12 0.42 0.02 0.00 0.00 176.95 177.61 1ohk s ILE 114 N -0.42 3.50 -0.40 2.03 1.01 0.03 -0.94 121.20 126.00 1ohk s ILE 114 Ca 0.05 -1.46 0.23 0.00 0.00 0.00 0.00 60.65 59.47 1ohk s ILE 114 Cb -0.12 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 1ohk s ILE 114 CO 0.02 -0.32 1.08 1.33 0.00 0.00 0.00 174.94 177.05 1ohk n VAL 115 N 4.72 0.43 0.00 2.92 0.24 -1.07 0.13 118.33 125.69 1ohk n VAL 115 Ca -0.10 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1ohk n VAL 115 Cb 0.43 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1ohk n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ohk n GLY 116 N 1.26 -0.81 0.00 7.63 0.00 -1.25 -4.78 105.19 107.23 1ohk n GLY 116 Ca 0.01 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1ohk n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohk n GLY 117 N 0.00 0.76 0.37 -0.02 0.00 -1.26 -1.19 105.19 103.85 1ohk n GLY 117 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 1ohk n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ohk h SER 118 N 0.00 -0.76 1.34 1.61 0.02 -1.96 0.28 113.55 114.09 1ohk h SER 118 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ohk h SER 118 Cb 0.00 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ohk h SER 118 CO 0.00 -0.44 0.00 0.28 -1.14 0.00 0.00 176.83 175.53 1ohk h SER 119 N -1.05 0.00 0.01 3.07 0.02 -1.96 0.23 113.55 113.87 1ohk h SER 119 Ca -0.09 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1ohk h SER 119 Cb 0.72 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.27 1ohk h SER 119 CO 0.15 0.00 -0.33 0.58 -1.14 0.00 0.00 176.83 176.09 1ohk h VAL 120 N 0.00 1.55 -0.47 2.27 2.07 -1.88 1.85 116.25 121.64 1ohk h VAL 120 Ca 0.00 -2.06 -0.10 0.00 0.82 0.00 0.00 66.70 65.36 1ohk h VAL 120 Cb 0.67 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1ohk h VAL 120 CO 0.00 0.57 -0.09 1.88 0.02 0.00 0.00 177.57 179.95 1ohk h TYR 121 N -0.48 0.94 -0.79 1.57 0.05 -0.33 -1.60 116.97 116.33 1ohk h TYR 121 Ca -0.05 -0.17 0.09 0.00 0.05 0.00 0.00 58.73 58.66 1ohk h TYR 121 Cb 1.11 -0.24 -0.07 0.00 1.01 0.00 0.00 36.73 38.54 1ohk h TYR 121 CO 0.19 0.90 0.44 -0.22 -1.05 0.00 0.00 178.16 178.41 1ohk h LYS 122 N 0.77 0.71 -0.29 4.88 1.63 -0.05 -2.93 116.57 121.29 1ohk h LYS 122 Ca 0.13 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.78 1ohk h LYS 122 Cb 0.60 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1ohk h LYS 122 CO 0.04 0.47 -0.26 0.93 -3.45 0.00 0.00 179.45 177.18 1ohk h GLU 123 N 0.73 0.69 0.00 1.90 5.08 0.38 -3.38 114.58 119.99 1ohk h GLU 123 Ca 0.38 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ohk h GLU 123 Cb 0.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ohk h GLU 123 CO -0.25 0.96 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1ohk n ALA 124 N -2.48 0.00 -0.25 3.43 0.00 -0.94 -3.25 120.51 117.02 1ohk n ALA 124 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1ohk n ALA 124 Cb 0.45 0.29 0.05 0.00 0.00 0.00 0.00 19.45 20.24 1ohk n ALA 124 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1ohk h MET 125 N 0.00 -0.07 -1.76 0.00 2.86 -1.76 -1.93 114.93 112.27 1ohk h MET 125 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ohk h MET 125 Cb 0.00 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1ohk h MET 125 CO 0.00 -0.04 0.00 0.09 1.06 0.00 0.00 176.91 178.02 1ohk n ASN 126 N -5.47 2.55 -4.34 1.22 3.02 -1.20 -4.64 115.26 106.39 1ohk n ASN 126 Ca 0.08 -1.55 -0.30 0.00 -0.03 0.00 0.00 54.58 52.77 1ohk n ASN 126 Cb 0.38 -0.51 -0.15 0.00 -0.61 0.00 0.00 39.78 38.89 1ohk n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1ohk s HIS 127 N 0.66 2.34 -0.47 3.10 2.46 -0.73 -5.07 115.29 117.57 1ohk s HIS 127 Ca 0.00 -0.41 -0.22 0.00 0.47 0.00 0.00 55.06 54.90 1ohk s HIS 127 Cb 0.00 -1.43 0.03 0.00 -0.13 0.00 0.00 32.58 31.06 1ohk s HIS 127 CO 0.00 0.09 0.74 -1.25 -2.47 0.00 0.00 174.74 171.85 1ohk s PRO 128 N -1.08 3.31 0.00 2.88 0.04 -1.26 -4.90 135.00 133.98 1ohk s PRO 128 Ca 0.11 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1ohk s PRO 128 Cb -0.10 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1ohk s PRO 128 CO 0.01 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.30 1ohk n GLY 129 N 5.05 -2.67 3.55 0.56 0.00 -1.26 -4.93 105.19 105.49 1ohk n GLY 129 Ca -0.00 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 1ohk n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ohk s HIS 130 N -2.03 1.97 -0.10 1.61 2.46 -1.26 -3.99 115.29 113.94 1ohk s HIS 130 Ca 0.00 0.31 0.03 0.00 0.47 0.00 0.00 55.06 55.88 1ohk s HIS 130 Cb 0.00 -4.29 0.01 0.00 -0.13 0.00 0.00 32.58 28.16 1ohk s HIS 130 CO 0.00 -2.07 -0.21 -1.17 -2.47 0.00 0.00 174.74 168.83 1ohk s LEU 131 N 7.95 1.97 -0.07 8.88 2.96 -0.96 -2.43 118.68 136.98 1ohk s LEU 131 Ca 0.57 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1ohk s LEU 131 Cb -0.08 -1.28 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 1ohk s LEU 131 CO 0.10 0.11 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.46 1ohk s LYS 132 N 0.57 2.62 -0.36 1.98 1.02 -0.57 -1.58 119.74 123.42 1ohk s LYS 132 Ca -0.14 -0.83 -0.11 0.00 0.02 0.00 0.00 55.97 54.90 1ohk s LYS 132 Cb -0.17 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1ohk s LYS 132 CO 0.05 0.26 0.21 -0.51 -0.92 0.00 0.00 175.35 174.43 1ohk s LEU 133 N 0.12 4.57 -0.51 3.17 1.02 0.21 -0.09 118.68 127.17 1ohk s LEU 133 Ca -0.11 -0.79 -0.16 0.00 0.02 0.00 0.00 54.13 53.09 1ohk s LEU 133 Cb -0.15 -2.05 0.10 0.00 0.02 0.00 0.00 46.19 44.11 1ohk s LEU 133 CO 0.06 -0.32 0.47 -0.36 0.02 0.00 0.00 176.35 176.21 1ohk s PHE 134 N 1.60 3.22 -0.37 0.29 0.40 0.25 -0.75 117.98 122.63 1ohk s PHE 134 Ca 0.03 -1.05 -0.11 0.00 -0.60 0.00 0.00 56.93 55.21 1ohk s PHE 134 Cb -0.18 -3.49 0.03 0.00 0.51 0.00 0.00 43.02 39.88 1ohk s PHE 134 CO 0.07 -0.93 0.20 0.08 0.70 0.00 0.00 175.22 175.35 1ohk s VAL 135 N 1.74 4.54 -0.57 -0.44 1.01 -0.75 -1.73 120.40 124.21 1ohk s VAL 135 Ca 0.05 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 1ohk s VAL 135 Cb -0.26 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1ohk s VAL 135 CO 0.05 -0.22 0.80 -0.89 0.00 0.00 0.00 175.10 174.85 1ohk s THR 136 N 1.55 4.60 -0.68 3.92 2.01 -0.95 -2.01 115.64 124.07 1ohk s THR 136 Ca 0.02 -0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.50 1ohk s THR 136 Cb -0.19 -4.48 0.10 0.00 0.01 0.00 0.00 72.50 67.93 1ohk s THR 136 CO 0.06 -1.09 0.88 -0.13 -0.69 0.00 0.00 174.62 173.66 1ohk s ARG 137 N 3.34 3.18 -0.33 4.92 1.81 0.11 0.14 118.95 132.13 1ohk s ARG 137 Ca 0.21 -1.24 -0.28 0.00 -1.72 0.00 0.00 55.73 52.70 1ohk s ARG 137 Cb -0.17 -4.37 0.01 0.00 -0.45 0.00 0.00 34.95 29.97 1ohk s ARG 137 CO 0.13 -1.69 1.01 0.42 -0.68 0.00 0.00 175.30 174.49 1ohk s ILE 138 N 3.16 4.55 -0.89 1.52 -1.09 0.42 -0.66 121.20 128.21 1ohk s ILE 138 Ca 0.20 1.54 -0.03 0.00 -2.23 0.00 0.00 60.65 60.13 1ohk s ILE 138 Cb -0.17 -4.37 0.23 0.00 -1.58 0.00 0.00 42.46 36.56 1ohk s ILE 138 CO 0.05 -0.48 2.22 0.23 -1.23 0.00 0.00 174.94 175.73 1ohk n MET 139 N 6.80 3.72 -3.77 2.79 2.81 -0.81 -0.93 117.12 127.72 1ohk n MET 139 Ca 0.10 -3.53 -0.09 0.00 -1.81 0.00 0.00 57.70 52.37 1ohk n MET 139 Cb 0.47 -2.36 -0.04 0.00 -0.71 0.00 0.00 33.22 30.59 1ohk n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1ohk s GLN 140 N -3.05 1.46 0.05 0.03 -0.21 -1.26 -4.81 119.66 111.86 1ohk s GLN 140 Ca 0.51 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.98 1ohk s GLN 140 Cb 0.31 0.53 -0.04 0.00 1.00 0.00 0.00 33.01 34.82 1ohk s GLN 140 CO -0.24 -0.63 0.17 -0.51 -2.12 0.00 0.00 175.29 171.97 1ohk s ASP 141 N -2.89 6.14 -0.12 5.90 1.01 -1.26 -1.80 116.67 123.64 1ohk s ASP 141 Ca 0.11 0.21 -0.06 0.00 0.71 0.00 0.00 52.55 53.52 1ohk s ASP 141 Cb -0.02 -1.84 0.05 0.00 1.01 0.00 0.00 42.92 42.12 1ohk s ASP 141 CO -0.00 0.19 0.28 -0.36 0.21 0.00 0.00 175.17 175.49 1ohk s PHE 142 N -1.43 -0.39 0.25 4.23 0.08 -1.26 -5.03 117.98 114.43 1ohk s PHE 142 Ca 0.32 0.90 -0.30 0.00 0.12 0.00 0.00 56.93 57.97 1ohk s PHE 142 Cb -0.13 0.08 -0.10 0.00 -0.57 0.00 0.00 43.02 42.31 1ohk s PHE 142 CO 0.24 -0.26 1.35 -1.83 -0.10 0.00 0.00 175.22 174.62 1ohk s GLU 143 N 1.38 4.34 0.06 0.44 -1.05 -1.26 -4.89 118.70 117.72 1ohk s GLU 143 Ca -0.09 2.18 -0.02 0.00 -0.15 0.00 0.00 54.97 56.89 1ohk s GLU 143 Cb -0.10 -3.13 -0.03 0.00 -0.44 0.00 0.00 34.13 30.42 1ohk s GLU 143 CO -0.09 -0.28 0.01 -1.12 0.95 0.00 0.00 175.26 174.72 1ohk s SER 144 N 0.11 0.42 -0.15 0.83 0.01 -1.26 -4.85 113.70 108.81 1ohk s SER 144 Ca 0.55 -0.95 0.09 0.00 1.31 0.00 0.00 55.95 56.95 1ohk s SER 144 Cb -0.39 0.23 -0.16 0.00 0.21 0.00 0.00 66.02 65.91 1ohk s SER 144 CO 0.44 -0.63 -0.01 -0.90 0.41 0.00 0.00 173.24 172.55 1ohk n ASP 145 N 0.07 1.87 -4.56 2.44 5.75 -1.01 -4.98 116.55 116.13 1ohk n ASP 145 Ca -0.14 -0.03 -0.34 0.00 -0.01 0.00 0.00 54.79 54.28 1ohk n ASP 145 Cb 0.61 0.54 -0.12 0.00 -1.03 0.00 0.00 41.12 41.13 1ohk n ASP 145 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1ohk s THR 146 N -2.34 3.62 0.28 2.12 -1.32 -0.92 -5.00 115.64 112.08 1ohk s THR 146 Ca -0.11 -0.51 0.05 0.00 -1.21 0.00 0.00 61.69 59.90 1ohk s THR 146 Cb 0.05 -2.47 -0.06 0.00 -1.51 0.00 0.00 72.50 68.51 1ohk s THR 146 CO 0.52 0.59 -0.00 -0.36 -2.21 0.00 0.00 174.62 173.16 1ohk s PHE 147 N -0.76 1.82 0.09 9.09 0.08 -1.26 -2.23 117.98 124.81 1ohk s PHE 147 Ca 0.12 -0.85 -0.30 0.00 0.12 0.00 0.00 56.93 56.01 1ohk s PHE 147 Cb -0.11 -1.09 -0.05 0.00 -0.57 0.00 0.00 43.02 41.19 1ohk s PHE 147 CO 0.01 0.09 1.01 0.12 -0.10 0.00 0.00 175.22 176.35 1ohk s PHE 148 N -3.24 3.72 0.21 0.36 5.36 0.27 -4.79 117.98 119.88 1ohk s PHE 148 Ca 0.31 1.71 -0.31 0.00 -0.96 0.00 0.00 56.93 57.69 1ohk s PHE 148 Cb 0.06 -3.13 -0.10 0.00 -0.34 0.00 0.00 43.02 39.51 1ohk s PHE 148 CO 0.12 -0.08 1.48 -1.25 -1.46 0.00 0.00 175.22 174.03 1ohk s PRO 149 N 0.23 4.25 0.19 10.12 0.04 -1.26 -4.96 135.00 143.62 1ohk s PRO 149 Ca 0.49 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.55 1ohk s PRO 149 Cb -0.24 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 1ohk s PRO 149 CO 0.30 -0.48 0.91 -2.00 0.04 0.00 0.00 177.00 175.77 1ohk s GLU 150 N 0.22 4.76 -0.27 4.56 2.12 -1.26 -5.03 118.70 123.80 1ohk s GLU 150 Ca 0.63 1.41 -0.15 0.00 0.36 0.00 0.00 54.97 57.22 1ohk s GLU 150 Cb -0.42 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 1ohk s GLU 150 CO 0.38 0.45 0.39 0.96 -0.54 0.00 0.00 175.26 176.91 1ohk s ILE 151 N -0.86 5.16 -0.70 -3.70 -4.36 -1.26 -5.02 121.20 110.46 1ohk s ILE 151 Ca 0.41 0.60 -0.25 0.00 -0.26 0.00 0.00 60.65 61.15 1ohk s ILE 151 Cb -0.25 -3.72 -0.13 0.00 1.25 0.00 0.00 42.46 39.62 1ohk s ILE 151 CO 0.30 0.14 2.42 -0.67 0.24 0.00 0.00 174.94 177.37 1ohk n ASP 152 N 5.36 1.82 -0.65 4.36 -0.08 -1.26 -4.75 116.55 121.35 1ohk n ASP 152 Ca -0.08 -1.10 0.00 0.00 -1.51 0.00 0.00 54.79 52.10 1ohk n ASP 152 Cb 0.51 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.38 1ohk n ASP 152 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ohk n LEU 153 N 17.16 1.50 -0.80 -2.67 -0.00 -1.26 -2.83 117.00 128.10 1ohk n LEU 153 Ca 0.45 -0.75 0.12 0.00 -0.00 0.00 0.00 56.01 55.83 1ohk n LEU 153 Cb 0.45 -0.47 0.29 0.00 -0.00 0.00 0.00 43.42 43.69 1ohk n LEU 153 CO 0.63 0.30 0.74 -0.62 -0.00 0.00 0.00 177.39 178.44 1ohk n GLU 154 N 0.18 2.08 -0.19 1.47 1.02 -1.26 -3.57 120.64 120.37 1ohk n GLU 154 Ca 0.00 -1.60 0.10 0.00 -0.02 0.00 0.00 57.16 55.64 1ohk n GLU 154 Cb 0.30 -1.46 0.19 0.00 -0.02 0.00 0.00 31.44 30.45 1ohk n GLU 154 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ohk n LYS 155 N 0.88 2.35 -4.35 3.49 5.02 -1.13 -4.97 118.16 119.46 1ohk n LYS 155 Ca 0.17 -2.15 -0.21 0.00 -2.02 0.00 0.00 58.31 54.10 1ohk n LYS 155 Cb 0.48 -1.44 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 1ohk n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1ohk s TYR 156 N -1.26 1.84 -0.12 2.13 1.51 -1.23 -4.63 117.35 115.58 1ohk s TYR 156 Ca 0.34 -0.48 -0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1ohk s TYR 156 Cb 0.19 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1ohk s TYR 156 CO 0.27 0.36 0.06 0.15 -1.11 0.00 0.00 175.55 175.28 1ohk s LYS 157 N -3.01 3.40 -0.46 -0.62 1.02 0.60 -4.86 119.74 115.80 1ohk s LYS 157 Ca 0.18 -0.30 -0.13 0.00 0.02 0.00 0.00 55.97 55.74 1ohk s LYS 157 Cb -0.05 -3.03 0.08 0.00 -0.52 0.00 0.00 37.83 34.31 1ohk s LYS 157 CO 0.07 0.61 0.35 -0.48 -0.92 0.00 0.00 175.35 174.99 1ohk s LEU 158 N -0.60 5.50 0.10 3.17 0.05 -1.26 -0.89 118.68 124.76 1ohk s LEU 158 Ca 0.11 -1.44 -0.31 0.00 0.05 0.00 0.00 54.13 52.54 1ohk s LEU 158 Cb -0.12 -2.11 -0.08 0.00 -2.05 0.00 0.00 46.19 41.84 1ohk s LEU 158 CO 0.02 -0.62 1.38 -0.76 -0.55 0.00 0.00 176.35 175.82 1ohk s LEU 159 N 1.55 4.37 0.40 1.48 1.43 -0.99 -4.89 118.68 122.04 1ohk s LEU 159 Ca 0.04 2.29 0.09 0.00 -1.03 0.00 0.00 54.13 55.52 1ohk s LEU 159 Cb -0.24 -3.58 0.85 0.00 0.03 0.00 0.00 46.19 43.24 1ohk s LEU 159 CO 0.04 -0.65 1.97 -0.65 0.23 0.00 0.00 176.35 177.30 1ohk h PRO 160 N 6.92 0.29 -3.72 1.29 0.11 -1.96 -3.40 132.00 131.53 1ohk h PRO 160 Ca -0.42 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 1ohk h PRO 160 Cb 1.21 -0.05 -0.30 0.00 0.11 0.00 0.00 31.00 31.97 1ohk h PRO 160 CO 0.87 0.34 -0.73 -1.83 -0.21 0.00 0.00 178.00 176.44 1ohk s GLU 161 N -4.95 0.05 0.09 1.05 -1.05 -1.26 -4.96 118.70 107.67 1ohk s GLU 161 Ca -0.06 0.04 0.06 0.00 -0.15 0.00 0.00 54.97 54.86 1ohk s GLU 161 Cb 0.16 -0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.68 1ohk s GLU 161 CO 0.73 -0.04 -0.17 -0.47 0.95 0.00 0.00 175.26 176.25 1ohk s TYR 162 N 0.34 1.47 -0.62 4.83 5.04 -1.26 -5.06 117.35 122.09 1ohk s TYR 162 Ca -0.03 -0.45 -0.28 0.00 -2.44 0.00 0.00 57.07 53.88 1ohk s TYR 162 Cb -0.05 -0.81 -0.11 0.00 0.35 0.00 0.00 41.96 41.34 1ohk s TYR 162 CO -0.01 0.12 2.49 -2.30 -1.34 0.00 0.00 175.55 174.51 1ohk n PRO 163 N 1.16 0.78 -1.69 4.97 -0.02 -1.26 -1.42 135.00 137.52 1ohk n PRO 163 Ca -0.20 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1ohk n PRO 163 Cb 0.54 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1ohk n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ohk n GLY 164 N 6.15 0.65 2.96 -1.23 0.00 -1.26 -5.03 105.19 107.42 1ohk n GLY 164 Ca 0.45 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1ohk n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ohk s VAL 165 N -2.03 0.82 0.19 1.61 1.01 -0.51 -5.07 120.40 116.42 1ohk s VAL 165 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 61.98 61.36 1ohk s VAL 165 Cb 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 36.38 35.45 1ohk s VAL 165 CO 0.00 0.29 1.53 0.18 0.00 0.00 0.00 175.10 177.10 1ohk n LEU 166 N 3.93 3.16 -0.00 3.92 4.32 -1.26 -4.52 117.00 126.55 1ohk n LEU 166 Ca -0.24 1.10 0.08 0.00 -0.02 0.00 0.00 56.01 56.93 1ohk n LEU 166 Cb 0.51 -1.44 -0.10 0.00 -1.62 0.00 0.00 43.42 40.78 1ohk n LEU 166 CO 0.24 -0.32 -0.15 -1.54 -1.22 0.00 0.00 177.39 174.40 1ohk n SER 167 N 2.99 0.83 -4.79 -1.43 3.41 -1.26 -4.43 113.62 108.94 1ohk n SER 167 Ca 0.15 -0.73 -0.30 0.00 -0.26 0.00 0.00 58.87 57.73 1ohk n SER 167 Cb 0.30 1.12 -0.06 0.00 -0.26 0.00 0.00 64.21 65.31 1ohk n SER 167 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1ohk s ASP 168 N -2.72 5.62 -0.23 4.04 -4.77 -1.26 -4.88 116.67 112.47 1ohk s ASP 168 Ca 0.04 0.01 -0.39 0.00 -3.30 0.00 0.00 52.55 48.91 1ohk s ASP 168 Cb 0.12 -1.53 -0.15 0.00 -1.09 0.00 0.00 42.92 40.26 1ohk s ASP 168 CO 0.65 0.16 1.77 0.52 0.70 0.00 0.00 175.17 178.97 1ohk n VAL 169 N 0.36 0.36 -3.66 2.11 0.31 -1.26 -4.81 118.33 111.73 1ohk n VAL 169 Ca -0.08 -0.07 -0.37 0.00 -0.01 0.00 0.00 64.34 63.82 1ohk n VAL 169 Cb 0.52 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 32.02 1ohk n VAL 169 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1ohk s GLN 170 N 3.61 3.89 -0.26 5.55 -1.52 0.14 -4.93 119.66 126.14 1ohk s GLN 170 Ca 0.97 0.06 -0.01 0.00 -1.95 0.00 0.00 55.36 54.43 1ohk s GLN 170 Cb -0.98 -3.30 0.08 0.00 -0.22 0.00 0.00 33.01 28.59 1ohk s GLN 170 CO 0.62 0.54 0.05 -2.00 -0.25 0.00 0.00 175.29 174.24 1ohk s GLU 171 N -0.42 0.89 0.01 2.91 2.12 -1.26 -0.24 118.70 122.72 1ohk s GLU 171 Ca 0.17 -0.87 0.07 0.00 0.36 0.00 0.00 54.97 54.70 1ohk s GLU 171 Cb -0.13 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 1ohk s GLU 171 CO 0.06 -0.80 -0.21 -2.00 -0.54 0.00 0.00 175.26 171.77 1ohk s GLU 172 N 1.63 2.09 -1.53 4.30 2.12 -0.47 -4.72 118.70 122.11 1ohk s GLU 172 Ca 0.03 -0.95 -0.01 0.00 0.36 0.00 0.00 54.97 54.40 1ohk s GLU 172 Cb -0.18 -2.14 0.01 0.00 0.26 0.00 0.00 34.13 32.08 1ohk s GLU 172 CO -0.15 0.55 0.11 1.63 -0.54 0.00 0.00 175.26 176.86 1ohk n LYS 173 N 1.91 -1.43 -0.69 4.30 5.02 -1.26 0.79 118.16 126.79 1ohk n LYS 173 Ca -0.16 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1ohk n LYS 173 Cb 0.52 -3.82 0.00 0.00 -0.02 0.00 0.00 35.03 31.70 1ohk n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ohk n GLY 174 N -2.41 0.22 3.94 0.72 0.00 -1.26 -4.96 105.19 101.45 1ohk n GLY 174 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 1ohk n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ohk s ILE 175 N -1.65 5.17 -0.09 -0.61 1.09 0.24 -5.10 121.20 120.24 1ohk s ILE 175 Ca 0.00 -0.46 0.01 0.00 -1.10 0.00 0.00 60.65 59.09 1ohk s ILE 175 Cb 0.00 -3.79 0.02 0.00 -1.06 0.00 0.00 42.46 37.63 1ohk s ILE 175 CO 0.00 -0.32 -0.10 -0.54 -0.10 0.00 0.00 174.94 173.88 1ohk s LYS 176 N -3.73 1.62 0.07 2.79 -0.14 -1.26 -1.37 119.74 117.71 1ohk s LYS 176 Ca 0.39 -0.33 0.00 0.00 -1.36 0.00 0.00 55.97 54.66 1ohk s LYS 176 Cb -0.10 -1.51 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 1ohk s LYS 176 CO 0.31 -0.13 -0.04 1.52 -0.76 0.00 0.00 175.35 176.25 1ohk s TYR 177 N 1.22 0.69 -0.01 3.18 1.13 0.67 -1.93 117.35 122.30 1ohk s TYR 177 Ca -0.04 -1.02 -0.02 0.00 -1.41 0.00 0.00 57.07 54.58 1ohk s TYR 177 Cb -0.14 -0.45 -0.00 0.00 -1.10 0.00 0.00 41.96 40.27 1ohk s TYR 177 CO -0.03 -0.30 0.04 -1.59 -2.51 0.00 0.00 175.55 171.16 1ohk s LYS 178 N -3.90 0.15 -0.16 -3.49 -2.85 0.17 0.23 119.74 109.89 1ohk s LYS 178 Ca 0.10 -0.12 -0.11 0.00 -1.00 0.00 0.00 55.97 54.84 1ohk s LYS 178 Cb 0.07 0.06 -0.05 0.00 -2.06 0.00 0.00 37.83 35.85 1ohk s LYS 178 CO -0.07 -0.03 0.21 -0.06 0.10 0.00 0.00 175.35 175.51 1ohk s PHE 179 N -0.41 3.47 0.02 1.78 0.08 -1.26 -0.71 117.98 120.95 1ohk s PHE 179 Ca -0.05 0.50 0.05 0.00 0.12 0.00 0.00 56.93 57.55 1ohk s PHE 179 Cb -0.03 -2.22 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1ohk s PHE 179 CO -0.00 0.34 -0.15 -1.21 -0.10 0.00 0.00 175.22 174.10 1ohk s GLU 180 N 0.16 1.12 -0.05 0.44 2.02 -0.85 -4.79 118.70 116.76 1ohk s GLU 180 Ca 0.13 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.48 1ohk s GLU 180 Cb -0.12 -1.13 -0.01 0.00 0.10 0.00 0.00 34.13 32.97 1ohk s GLU 180 CO 0.02 0.29 -0.21 0.14 0.02 0.00 0.00 175.26 175.52 1ohk s VAL 181 N -0.63 1.72 0.10 2.63 -7.23 -1.26 -1.80 120.40 113.93 1ohk s VAL 181 Ca 0.04 -0.89 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1ohk s VAL 181 Cb -0.07 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1ohk s VAL 181 CO 0.01 0.49 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.96 1ohk s TYR 182 N -0.11 2.95 0.18 2.82 1.51 0.07 -2.33 117.35 122.44 1ohk s TYR 182 Ca -0.02 -0.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1ohk s TYR 182 Cb -0.12 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1ohk s TYR 182 CO 0.02 0.47 0.06 -2.00 -1.11 0.00 0.00 175.55 173.00 1ohk s GLU 183 N -2.33 1.13 -0.29 -0.62 2.12 -0.07 -0.62 118.70 118.03 1ohk s GLU 183 Ca 0.25 -1.57 -0.24 0.00 0.36 0.00 0.00 54.97 53.77 1ohk s GLU 183 Cb -0.12 0.01 0.16 0.00 0.26 0.00 0.00 34.13 34.45 1ohk s GLU 183 CO 0.18 -0.26 1.24 -1.59 -0.54 0.00 0.00 175.26 174.28 1ohk s LYS 184 N -4.03 0.27 -0.41 4.30 0.00 -0.61 -0.29 119.74 118.96 1ohk s LYS 184 Ca 0.30 0.33 0.04 0.00 0.00 0.00 0.00 55.97 56.63 1ohk s LYS 184 Cb 0.07 0.13 0.17 0.00 0.00 0.00 0.00 37.83 38.19 1ohk s LYS 184 CO 0.07 -0.03 0.34 1.21 0.00 0.00 0.00 175.35 176.94 1ohk s ASN 185 N 0.20 1.45 0.00 0.03 3.04 -1.26 -2.27 114.94 116.13 1ohk s ASN 185 Ca 0.04 -2.85 0.00 0.00 0.04 0.00 0.00 52.86 50.09 1ohk s ASN 185 Cb -0.05 -0.28 0.00 0.00 -1.54 0.00 0.00 41.25 39.38 1ohk s ASN 185 CO -0.11 -0.18 0.38 -0.90 -3.04 0.00 0.00 177.10 173.25