#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgk s ILE 2 N 0.00 1.43 -0.30 1.12 1.01 -0.95 -5.02 121.20 118.49 2kgk s ILE 2 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2kgk s ILE 2 Cb 0.00 -1.24 0.08 0.00 0.01 0.00 0.00 42.46 41.32 2kgk s ILE 2 CO 0.00 0.41 0.01 -0.69 0.00 0.00 0.00 174.94 174.68 2kgk s VAL 3 N 0.14 1.79 -0.12 2.92 1.01 -1.26 -2.48 120.40 122.40 2kgk s VAL 3 Ca -0.06 -1.78 -0.06 0.00 0.00 0.00 0.00 61.98 60.08 2kgk s VAL 3 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2kgk s VAL 3 CO 0.03 -0.42 0.10 -0.55 0.00 0.00 0.00 175.10 174.26 2kgk s SER 4 N 1.20 6.01 -0.17 3.32 0.15 -0.98 0.44 113.70 123.67 2kgk s SER 4 Ca 0.04 0.34 -0.01 0.00 0.70 0.00 0.00 55.95 57.02 2kgk s SER 4 Cb -0.19 -1.91 -0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2kgk s SER 4 CO -0.11 0.37 -0.13 -0.36 1.20 0.00 0.00 173.24 174.21 2kgk s PHE 5 N -0.78 2.83 -0.45 3.44 0.40 -0.02 -2.42 117.98 120.97 2kgk s PHE 5 Ca 0.13 -1.02 -0.15 0.00 -0.60 0.00 0.00 56.93 55.29 2kgk s PHE 5 Cb -0.12 -1.93 0.06 0.00 0.51 0.00 0.00 43.02 41.54 2kgk s PHE 5 CO 0.03 -0.49 0.37 0.00 0.70 0.00 0.00 175.22 175.83 2kgk s MET 6 N 0.94 2.97 0.03 0.44 0.23 -0.92 -1.99 119.30 121.00 2kgk s MET 6 Ca -0.02 -1.26 0.03 0.00 -1.03 0.00 0.00 55.69 53.41 2kgk s MET 6 Cb -0.15 -4.08 -0.02 0.00 -1.53 0.00 0.00 34.83 29.05 2kgk s MET 6 CO -0.01 -0.95 -0.11 0.54 -2.03 0.00 0.00 175.02 172.46 2kgk s VAL 7 N 1.65 0.81 0.49 5.16 0.11 -1.06 -4.58 120.40 122.98 2kgk s VAL 7 Ca 0.04 -0.91 0.05 0.00 -2.93 0.00 0.00 61.98 58.23 2kgk s VAL 7 Cb -0.23 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2kgk s VAL 7 CO 0.08 -0.11 0.68 0.00 -3.33 0.00 0.00 175.10 172.41 2kgk s ALA 8 N -0.91 4.22 -0.09 1.54 0.00 -1.26 -2.19 121.76 123.07 2kgk s ALA 8 Ca -0.02 -1.52 -0.03 0.00 0.00 0.00 0.00 51.96 50.39 2kgk s ALA 8 Cb -0.08 -1.84 0.04 0.00 0.00 0.00 0.00 23.12 21.24 2kgk s ALA 8 CO 0.01 -0.53 0.08 1.41 0.00 0.00 0.00 175.76 176.73 2kgk s MET 9 N -4.56 -0.02 -0.21 0.00 0.00 0.55 -4.53 119.30 110.53 2kgk s MET 9 Ca 0.56 0.27 -0.17 0.00 0.00 0.00 0.00 55.69 56.35 2kgk s MET 9 Cb -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 34.83 33.82 2kgk s MET 9 CO 0.36 -0.43 0.47 -0.51 0.00 0.00 0.00 175.02 174.91 2kgk s ASP 10 N 2.18 6.50 0.64 1.11 1.01 -0.69 -1.55 116.67 125.86 2kgk s ASP 10 Ca 0.04 0.59 0.29 0.00 0.71 0.00 0.00 52.55 54.18 2kgk s ASP 10 Cb -0.13 -2.27 1.53 0.00 1.01 0.00 0.00 42.92 43.06 2kgk s ASP 10 CO -0.05 -0.15 1.89 1.05 0.21 0.00 0.00 175.17 178.12 2kgk h GLU 11 N 7.50 0.00 0.00 8.23 9.09 -1.82 -1.51 114.58 136.07 2kgk h GLU 11 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.07 2kgk h GLU 11 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 2kgk h GLU 11 CO 0.73 0.00 -0.44 0.09 0.05 0.00 0.00 179.01 179.43 2kgk n ASN 12 N -3.20 1.90 0.00 3.06 5.03 -1.26 -5.04 115.26 115.74 2kgk n ASN 12 Ca 0.02 -0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.15 2kgk n ASN 12 Cb 0.50 1.02 0.00 0.00 -1.02 0.00 0.00 39.78 40.28 2kgk n ASN 12 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kgk n ARG 13 N -1.23 0.00 0.00 3.52 5.12 -0.57 -4.85 116.66 118.65 2kgk n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2kgk n ARG 13 Cb 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 2kgk n ARG 13 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2kgk n VAL 14 N 0.00 0.00 0.00 1.55 3.14 -0.62 -2.34 118.33 120.06 2kgk n VAL 14 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2kgk n VAL 14 Cb 0.00 -0.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 2kgk n VAL 14 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2kgk n ILE 15 N -1.87 0.00 -1.56 1.55 -5.35 -1.15 -1.70 119.36 109.28 2kgk n ILE 15 Ca 0.00 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.23 2kgk n ILE 15 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 2kgk n ILE 15 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2kgk s GLY 16 N -1.56 -0.65 -0.07 3.28 0.00 -1.18 -4.42 107.32 102.72 2kgk s GLY 16 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 44.72 44.33 2kgk s GLY 16 CO 0.00 4.20 -0.05 1.70 0.00 0.00 0.00 173.10 178.95 2kgk h LYS 17 N 16.34 0.00 -2.43 2.90 3.64 -1.35 2.12 116.57 137.78 2kgk h LYS 17 Ca -0.12 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.75 2kgk h LYS 17 Cb 1.14 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 32.59 2kgk h LYS 17 CO 1.08 0.00 -0.79 0.34 -2.27 0.00 0.00 179.45 177.81 2kgk s ASP 18 N -4.62 2.53 -0.63 4.20 -1.08 -1.26 -3.24 116.67 112.57 2kgk s ASP 18 Ca -0.04 -1.85 0.00 0.00 -0.52 0.00 0.00 52.55 50.14 2kgk s ASP 18 Cb 0.01 -0.11 0.00 0.00 -1.46 0.00 0.00 42.92 41.36 2kgk s ASP 18 CO 0.06 -0.32 0.00 -0.46 0.52 0.00 0.00 175.17 174.98 2kgk n ASN 19 N 4.31 -1.75 -3.62 -0.34 0.23 -1.26 -4.68 115.26 108.15 2kgk n ASN 19 Ca 0.09 0.18 0.03 0.00 -0.53 0.00 0.00 54.58 54.36 2kgk n ASN 19 Cb 0.40 -1.84 0.01 0.00 -2.08 0.00 0.00 39.78 36.27 2kgk n ASN 19 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kgk n ASN 20 N -0.01 -0.98 -4.99 0.53 6.94 -1.26 -4.28 115.26 111.21 2kgk n ASN 20 Ca -0.06 -1.11 -0.19 0.00 -0.02 0.00 0.00 54.58 53.20 2kgk n ASN 20 Cb 0.26 1.49 0.02 0.00 -2.36 0.00 0.00 39.78 39.18 2kgk n ASN 20 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kgk s LEU 21 N 0.00 3.60 0.87 -4.53 2.01 -1.26 -0.99 118.68 118.38 2kgk s LEU 21 Ca 0.28 -0.19 -0.12 0.00 0.01 0.00 0.00 54.13 54.12 2kgk s LEU 21 Cb -0.00 -2.79 0.15 0.00 0.01 0.00 0.00 46.19 43.56 2kgk s LEU 21 CO -0.02 -0.81 1.21 -2.16 1.01 0.00 0.00 176.35 175.58 2kgk s PRO 22 N -4.46 1.18 0.10 1.29 0.05 -1.26 -4.86 135.00 127.04 2kgk s PRO 22 Ca 0.53 -0.44 -0.06 0.00 0.05 0.00 0.00 61.00 61.09 2kgk s PRO 22 Cb -0.10 -1.98 -0.02 0.00 0.05 0.00 0.00 34.50 32.45 2kgk s PRO 22 CO 0.35 -2.00 0.13 -1.58 0.05 0.00 0.00 177.00 173.95 2kgk s TRP 23 N -3.65 0.39 0.00 0.56 0.52 -1.26 -5.14 118.94 110.37 2kgk s TRP 23 Ca 0.69 -0.83 0.00 0.00 0.02 0.00 0.00 56.10 55.98 2kgk s TRP 23 Cb -0.06 -0.20 0.00 0.00 -1.15 0.00 0.00 33.47 32.06 2kgk s TRP 23 CO 0.50 -0.53 0.00 2.89 0.02 0.00 0.00 176.95 179.83 2kgk n ARG 24 N -0.05 2.88 -1.64 4.98 1.85 -1.26 -5.04 116.66 118.37 2kgk n ARG 24 Ca -0.12 0.00 -0.47 0.00 -1.00 0.00 0.00 57.85 56.26 2kgk n ARG 24 Cb 0.62 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.99 2kgk n ARG 24 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2kgk n LEU 25 N 0.00 2.57 0.00 2.89 4.32 -1.26 -4.78 117.00 120.74 2kgk n LEU 25 Ca 0.00 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 57.10 2kgk n LEU 25 Cb 0.00 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 40.45 2kgk n LEU 25 CO 0.00 -0.64 0.48 -0.81 -1.22 0.00 0.00 177.39 175.20 2kgk n PRO 26 N 2.66 0.00 -0.00 3.23 -0.04 -1.26 -1.45 135.00 138.14 2kgk n PRO 26 Ca 0.16 0.45 -0.18 0.00 -0.04 0.00 0.00 63.50 63.89 2kgk n PRO 26 Cb 0.27 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.09 2kgk n PRO 26 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kgk h SER 27 N 0.00 0.28 -0.02 3.54 0.02 -2.00 -3.23 113.55 112.13 2kgk h SER 27 Ca 0.00 -0.93 -0.04 0.00 -0.84 0.00 0.00 61.79 59.98 2kgk h SER 27 Cb 0.00 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2kgk h SER 27 CO 0.00 1.29 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.83 2kgk h GLU 28 N -0.61 0.25 -0.87 3.45 4.22 -1.61 0.14 114.58 119.55 2kgk h GLU 28 Ca -0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.26 2kgk h GLU 28 Cb 1.43 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 2kgk h GLU 28 CO 0.07 0.34 0.52 1.25 -2.18 0.00 0.00 179.01 179.01 2kgk h LEU 29 N 0.24 1.05 0.00 1.64 6.46 -1.58 -0.05 115.31 123.07 2kgk h LEU 29 Ca 0.05 -0.07 -0.25 0.00 -0.12 0.00 0.00 57.88 57.50 2kgk h LEU 29 Cb 0.30 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 2kgk h LEU 29 CO 0.01 0.81 -1.53 0.06 -0.62 0.00 0.00 178.44 177.18 2kgk h GLN 30 N 1.20 0.00 -0.45 1.25 3.07 -1.45 -2.94 115.11 115.79 2kgk h GLN 30 Ca 0.31 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.95 2kgk h GLN 30 Cb -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.50 2kgk h GLN 30 CO -0.06 0.50 -0.13 -0.92 0.09 0.00 0.00 178.83 178.31 2kgk h TYR 31 N 0.00 0.93 0.05 0.06 3.20 -0.79 -0.56 116.97 119.86 2kgk h TYR 31 Ca -0.22 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.46 2kgk h TYR 31 Cb 1.88 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.91 2kgk h TYR 31 CO 0.00 0.92 -0.02 -0.24 -1.64 0.00 0.00 178.16 177.18 2kgk h VAL 32 N 0.75 1.32 -0.66 1.81 3.04 -1.12 -2.77 116.25 118.63 2kgk h VAL 32 Ca 0.12 -1.46 0.03 0.00 -1.01 0.00 0.00 66.70 64.38 2kgk h VAL 32 Cb 0.64 2.25 -0.04 0.00 -2.01 0.00 0.00 31.29 32.14 2kgk h VAL 32 CO 0.04 0.35 0.43 0.07 -1.01 0.00 0.00 177.57 177.46 2kgk h LYS 33 N -0.74 0.76 -0.06 4.17 2.10 -1.52 0.77 116.57 122.06 2kgk h LYS 33 Ca -0.01 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2kgk h LYS 33 Cb 0.63 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2kgk h LYS 33 CO 0.01 0.50 0.00 -0.22 -2.00 0.00 0.00 179.45 177.75 2kgk h LYS 34 N 0.78 0.10 0.00 0.07 1.63 -1.14 0.59 116.57 118.59 2kgk h LYS 34 Ca 0.26 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.98 2kgk h LYS 34 Cb 0.08 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2kgk h LYS 34 CO -0.07 0.36 -0.23 0.00 -3.45 0.00 0.00 179.45 176.05 2kgk h THR 35 N -0.17 0.53 -0.02 1.00 1.03 -1.18 -2.88 112.91 111.21 2kgk h THR 35 Ca 0.02 -1.21 0.00 0.00 -0.01 0.00 0.00 66.41 65.20 2kgk h THR 35 Cb 0.31 1.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 2kgk h THR 35 CO 0.00 0.23 -0.15 0.35 -0.01 0.00 0.00 175.52 175.94 2kgk n THR 36 N -3.34 0.00 -1.55 0.00 -2.24 0.24 -4.98 114.28 102.40 2kgk n THR 36 Ca 0.01 -0.41 -0.50 0.00 -2.27 0.00 0.00 64.05 60.87 2kgk n THR 36 Cb 0.47 1.38 -0.04 0.00 -2.10 0.00 0.00 70.33 70.03 2kgk n THR 36 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2kgk n MET 37 N 0.87 0.92 -0.18 -0.78 3.85 0.20 -0.73 117.12 121.28 2kgk n MET 37 Ca 0.13 0.33 0.00 0.00 -1.00 0.00 0.00 57.70 57.16 2kgk n MET 37 Cb 0.55 -1.79 0.00 0.00 -1.05 0.00 0.00 33.22 30.93 2kgk n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kgk n GLY 38 N 1.97 0.75 3.84 3.17 0.00 -0.98 -5.05 105.19 108.87 2kgk n GLY 38 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2kgk n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kgk s HIS 39 N -2.48 3.61 -0.19 1.61 3.76 0.09 -5.02 115.29 116.67 2kgk s HIS 39 Ca 0.00 1.13 -0.29 0.00 -0.15 0.00 0.00 55.06 55.75 2kgk s HIS 39 Cb 0.00 -2.43 -0.02 0.00 1.11 0.00 0.00 32.58 31.24 2kgk s HIS 39 CO 0.00 0.40 1.50 -1.25 -0.85 0.00 0.00 174.74 174.54 2kgk s PRO 40 N -1.98 3.99 -0.44 8.40 0.04 -1.26 -4.68 135.00 139.06 2kgk s PRO 40 Ca 0.39 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 2kgk s PRO 40 Cb -0.15 -3.94 0.11 0.00 0.04 0.00 0.00 34.50 30.55 2kgk s PRO 40 CO 0.20 -1.05 0.29 -1.17 0.04 0.00 0.00 177.00 175.31 2kgk s LEU 41 N 4.46 5.47 -0.23 -3.56 1.98 -0.87 -2.31 118.68 123.63 2kgk s LEU 41 Ca 0.66 -1.84 -0.21 0.00 -2.89 0.00 0.00 54.13 49.84 2kgk s LEU 41 Cb -0.25 -1.96 -0.02 0.00 0.66 0.00 0.00 46.19 44.62 2kgk s LEU 41 CO 0.25 -0.63 0.65 -0.63 -1.89 0.00 0.00 176.35 174.11 2kgk s ILE 42 N 1.33 4.98 0.05 6.68 1.09 -1.01 0.08 121.20 134.40 2kgk s ILE 42 Ca 0.05 1.20 0.06 0.00 -1.10 0.00 0.00 60.65 60.87 2kgk s ILE 42 Cb -0.25 -3.96 -0.02 0.00 -1.06 0.00 0.00 42.46 37.17 2kgk s ILE 42 CO -0.01 0.05 -0.17 -0.04 -0.10 0.00 0.00 174.94 174.68 2kgk s MET 43 N 2.27 1.07 0.26 2.79 -1.94 -0.40 0.91 119.30 124.26 2kgk s MET 43 Ca 0.28 -0.88 -0.30 0.00 -1.71 0.00 0.00 55.69 53.09 2kgk s MET 43 Cb -0.16 -1.14 -0.10 0.00 2.01 0.00 0.00 34.83 35.45 2kgk s MET 43 CO 0.09 0.28 1.34 0.20 -0.01 0.00 0.00 175.02 176.92 2kgk s GLY 44 N -1.30 2.60 0.16 -0.03 0.00 -1.03 -2.47 107.32 105.25 2kgk s GLY 44 Ca 0.03 1.21 -0.17 0.00 0.00 0.00 0.00 44.72 45.80 2kgk s GLY 44 CO 0.02 2.06 1.68 0.07 0.00 0.00 0.00 173.10 176.94 2kgk h ARG 45 N 4.61 0.03 -0.34 2.90 -0.00 -1.91 0.50 114.38 120.17 2kgk h ARG 45 Ca -0.46 -0.00 0.04 0.00 -0.00 0.00 0.00 59.98 59.56 2kgk h ARG 45 Cb 1.22 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 31.16 2kgk h ARG 45 CO 0.73 0.02 0.23 -0.22 -0.00 0.00 0.00 179.97 180.74 2kgk h LYS 46 N 0.03 0.27 -0.03 0.08 3.64 -1.91 -1.21 116.57 117.45 2kgk h LYS 46 Ca 0.18 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.29 2kgk h LYS 46 Cb 0.27 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2kgk h LYS 46 CO -0.36 0.18 -0.97 -0.91 -2.27 0.00 0.00 179.45 175.12 2kgk h ASN 47 N 0.28 0.82 -0.51 4.20 2.35 -1.03 -2.26 115.58 119.43 2kgk h ASN 47 Ca 0.15 -0.63 -0.05 0.00 -0.55 0.00 0.00 56.30 55.22 2kgk h ASN 47 Cb 0.24 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2kgk h ASN 47 CO -0.03 1.43 0.13 0.22 -1.65 0.00 0.00 177.43 177.53 2kgk h TYR 48 N 0.38 0.85 -0.01 1.19 5.03 0.90 0.10 116.97 125.41 2kgk h TYR 48 Ca -0.10 -0.10 -0.12 0.00 2.58 0.00 0.00 58.73 60.98 2kgk h TYR 48 Cb 1.61 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 39.64 2kgk h TYR 48 CO 0.09 0.76 -0.56 1.05 -1.32 0.00 0.00 178.16 178.18 2kgk h GLU 49 N 0.70 0.04 -0.10 1.82 4.11 -1.33 -0.95 114.58 118.87 2kgk h GLU 49 Ca 0.16 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.48 2kgk h GLU 49 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2kgk h GLU 49 CO 0.00 0.59 -0.25 0.00 0.07 0.00 0.00 179.01 179.42 2kgk h ALA 50 N 1.41 0.17 -0.18 1.06 0.00 -1.05 -3.29 119.26 117.38 2kgk h ALA 50 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2kgk h ALA 50 Cb 0.99 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2kgk h ALA 50 CO 0.07 0.16 -0.01 0.82 0.00 0.00 0.00 179.25 180.30 2kgk h ILE 51 N -0.09 1.26 0.00 0.00 2.04 -0.76 -3.43 117.51 116.53 2kgk h ILE 51 Ca -0.00 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2kgk h ILE 51 Cb 0.85 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2kgk h ILE 51 CO 0.05 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.08 2kgk n GLY 52 N -0.28 0.84 2.74 5.37 0.00 -0.37 -4.93 105.19 108.57 2kgk n GLY 52 Ca -0.05 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 2kgk n GLY 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kgk n ARG 53 N 0.00 0.84 -1.83 1.61 0.63 -1.26 -4.50 116.66 112.15 2kgk n ARG 53 Ca 0.00 -1.76 -0.30 0.00 -0.92 0.00 0.00 57.85 54.87 2kgk n ARG 53 Cb 0.00 -1.28 0.20 0.00 0.45 0.00 0.00 32.46 31.83 2kgk n ARG 53 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kgk s PRO 54 N 0.54 0.26 -0.32 -0.14 0.04 -1.26 -5.06 135.00 129.06 2kgk s PRO 54 Ca 0.28 -0.42 0.02 0.00 0.04 0.00 0.00 61.00 60.92 2kgk s PRO 54 Cb 0.25 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 33.09 2kgk s PRO 54 CO -0.18 -2.67 1.11 -0.11 0.04 0.00 0.00 177.00 175.19 2kgk n LEU 55 N -3.94 -1.18 -4.59 -3.56 7.94 -1.26 -4.96 117.00 105.45 2kgk n LEU 55 Ca 0.16 -1.87 -0.42 0.00 -1.11 0.00 0.00 56.01 52.77 2kgk n LEU 55 Cb 0.59 0.84 -0.03 0.00 0.53 0.00 0.00 43.42 45.36 2kgk n LEU 55 CO 0.44 1.22 1.54 -2.16 -1.11 0.00 0.00 177.39 177.33 2kgk s PRO 56 N 0.04 3.14 0.00 1.96 0.04 -1.26 -1.96 135.00 136.96 2kgk s PRO 56 Ca 0.06 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2kgk s PRO 56 Cb 0.10 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2kgk s PRO 56 CO -0.04 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 175.32 2kgk n GLY 57 N 5.48 0.84 3.93 0.56 0.00 -1.26 -4.48 105.19 110.25 2kgk n GLY 57 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 2kgk n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgk n ARG 58 N -1.79 -4.00 -2.70 1.61 5.12 -0.83 -2.33 116.66 111.74 2kgk n ARG 58 Ca 0.00 0.48 -0.05 0.00 -1.93 0.00 0.00 57.85 56.35 2kgk n ARG 58 Cb 0.00 -4.91 0.06 0.00 -1.16 0.00 0.00 32.46 26.45 2kgk n ARG 58 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2kgk n ARG 59 N -4.41 0.37 -4.07 5.56 3.00 -1.26 -4.75 116.66 111.10 2kgk n ARG 59 Ca -0.20 -1.17 -0.33 0.00 -0.00 0.00 0.00 57.85 56.15 2kgk n ARG 59 Cb 0.63 -0.70 -0.15 0.00 0.00 0.00 0.00 32.46 32.24 2kgk n ARG 59 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2kgk s ASN 60 N -0.45 4.02 -0.17 6.15 0.02 -1.26 -2.04 114.94 121.21 2kgk s ASN 60 Ca 0.28 -1.10 -0.06 0.00 -1.02 0.00 0.00 52.86 50.96 2kgk s ASN 60 Cb 0.18 -1.54 -0.04 0.00 0.02 0.00 0.00 41.25 39.87 2kgk s ASN 60 CO -0.14 -0.12 0.04 -0.63 0.02 0.00 0.00 177.10 176.26 2kgk s ILE 61 N 1.19 4.55 -0.09 0.60 1.09 0.11 -2.52 121.20 126.14 2kgk s ILE 61 Ca -0.03 -0.12 -0.00 0.00 -1.10 0.00 0.00 60.65 59.39 2kgk s ILE 61 Cb -0.17 -3.03 -0.03 0.00 -1.06 0.00 0.00 42.46 38.17 2kgk s ILE 61 CO -0.07 0.48 -0.07 0.27 -0.10 0.00 0.00 174.94 175.45 2kgk s ILE 62 N 0.25 3.71 -0.25 2.92 -4.36 -0.53 -1.27 121.20 121.66 2kgk s ILE 62 Ca 0.02 -0.46 -0.21 0.00 -0.26 0.00 0.00 60.65 59.74 2kgk s ILE 62 Cb -0.13 -2.54 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 2kgk s ILE 62 CO 0.01 0.57 0.66 -0.69 0.24 0.00 0.00 174.94 175.73 2kgk s VAL 63 N -0.51 4.96 -0.18 8.37 1.01 -1.03 -1.21 120.40 131.81 2kgk s VAL 63 Ca 0.08 1.19 -0.21 0.00 0.00 0.00 0.00 61.98 63.03 2kgk s VAL 63 Cb -0.12 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2kgk s VAL 63 CO 0.02 0.01 0.57 0.28 0.00 0.00 0.00 175.10 175.98 2kgk s THR 64 N 2.55 0.00 -0.40 3.92 -1.32 -0.93 -3.26 115.64 116.21 2kgk s THR 64 Ca 0.27 -0.04 -0.06 0.00 -1.21 0.00 0.00 61.69 60.65 2kgk s THR 64 Cb -0.15 -0.81 0.08 0.00 -1.51 0.00 0.00 72.50 70.11 2kgk s THR 64 CO 0.08 -0.02 0.21 0.00 -2.21 0.00 0.00 174.62 172.68 2kgk s ARG 65 N -0.01 2.42 -0.30 7.08 1.70 -1.26 -4.55 118.95 124.03 2kgk s ARG 65 Ca -0.02 -1.53 -0.10 0.00 -0.47 0.00 0.00 55.73 53.60 2kgk s ARG 65 Cb -0.04 -3.65 0.18 0.00 -0.57 0.00 0.00 34.95 30.88 2kgk s ARG 65 CO 0.02 -0.94 0.97 -0.80 -1.08 0.00 0.00 175.30 173.47 2kgk s ASN 66 N 1.93 -0.63 0.01 -2.89 0.02 -1.26 -5.11 114.94 107.02 2kgk s ASN 66 Ca 0.03 0.34 -0.30 0.00 -1.02 0.00 0.00 52.86 51.91 2kgk s ASN 66 Cb -0.23 1.50 -0.06 0.00 0.02 0.00 0.00 41.25 42.48 2kgk s ASN 66 CO -0.00 -0.12 1.50 -1.83 0.02 0.00 0.00 177.10 176.68 2kgk s GLU 67 N 2.94 4.24 0.00 -0.60 -1.05 -1.26 -2.06 118.70 120.91 2kgk s GLU 67 Ca 0.06 2.09 0.00 0.00 -0.15 0.00 0.00 54.97 56.97 2kgk s GLU 67 Cb -0.10 -3.63 0.00 0.00 -0.44 0.00 0.00 34.13 29.96 2kgk s GLU 67 CO -0.14 -0.66 0.00 0.41 0.95 0.00 0.00 175.26 175.82 2kgk n GLY 68 N 3.81 0.76 3.19 -3.83 0.00 -1.26 -5.05 105.19 102.80 2kgk n GLY 68 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2kgk n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kgk s TYR 69 N -2.34 3.01 -0.08 1.61 5.04 -0.88 -5.09 117.35 118.63 2kgk s TYR 69 Ca 0.00 -1.57 -0.10 0.00 -2.44 0.00 0.00 57.07 52.96 2kgk s TYR 69 Cb 0.00 -2.03 0.02 0.00 0.35 0.00 0.00 41.96 40.31 2kgk s TYR 69 CO 0.00 -0.74 0.27 -3.38 -1.34 0.00 0.00 175.55 170.36 2kgk s HIS 70 N 1.32 -0.25 -0.34 4.97 -3.43 -1.26 -4.83 115.29 111.47 2kgk s HIS 70 Ca 0.01 0.57 -0.19 0.00 -0.80 0.00 0.00 55.06 54.65 2kgk s HIS 70 Cb -0.16 0.09 -0.00 0.00 -1.43 0.00 0.00 32.58 31.07 2kgk s HIS 70 CO -0.06 -0.20 0.55 0.08 -2.00 0.00 0.00 174.74 173.11 2kgk s VAL 71 N -0.26 4.98 -0.03 -5.38 1.01 -1.26 -5.01 120.40 114.45 2kgk s VAL 71 Ca -0.04 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 2kgk s VAL 71 Cb -0.03 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 2kgk s VAL 71 CO 0.01 -0.21 2.02 -1.61 0.00 0.00 0.00 175.10 175.31 2kgk s GLU 72 N 2.48 3.90 0.00 2.72 2.02 -1.26 -1.78 118.70 126.78 2kgk s GLU 72 Ca 0.21 2.47 0.00 0.00 0.02 0.00 0.00 54.97 57.67 2kgk s GLU 72 Cb -0.15 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 29.87 2kgk s GLU 72 CO 0.13 -1.23 0.00 0.41 0.02 0.00 0.00 175.26 174.59 2kgk n GLY 73 N 4.83 2.66 4.01 -1.39 0.00 -1.26 -5.08 105.19 108.96 2kgk n GLY 73 Ca 0.22 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 2kgk n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgk s GLU 75 N -4.48 3.05 0.26 0.00 2.56 -1.05 -4.72 118.70 114.32 2kgk s GLU 75 Ca 0.57 -0.47 -0.11 0.00 0.00 0.00 0.00 54.97 54.96 2kgk s GLU 75 Cb -0.07 -2.76 -0.07 0.00 2.00 0.00 0.00 34.13 33.22 2kgk s GLU 75 CO 0.35 0.60 0.60 0.08 -0.56 0.00 0.00 175.26 176.34 2kgk s VAL 76 N -0.62 4.87 0.09 3.70 1.01 -1.26 -1.46 120.40 126.73 2kgk s VAL 76 Ca 0.10 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.64 2kgk s VAL 76 Cb -0.12 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2kgk s VAL 76 CO 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 175.10 175.00 2kgk s ALA 77 N -1.89 0.71 0.21 5.51 0.00 -0.35 -4.82 121.76 121.11 2kgk s ALA 77 Ca 0.49 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2kgk s ALA 77 Cb -0.11 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.56 2kgk s ALA 77 CO 0.21 -0.42 0.06 1.58 0.00 0.00 0.00 175.76 177.19 2kgk n HIS 78 N 0.00 -3.14 -0.21 0.00 -0.00 -1.26 -2.20 115.22 108.41 2kgk n HIS 78 Ca -0.10 -0.13 -0.17 0.00 0.46 0.00 0.00 57.72 57.79 2kgk n HIS 78 Cb 0.62 -0.04 0.16 0.00 -0.12 0.00 0.00 29.99 30.61 2kgk n HIS 78 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2kgk n SER 79 N -2.97 -2.98 0.19 0.26 7.64 -1.26 -4.47 113.62 110.02 2kgk n SER 79 Ca 0.01 -0.53 0.18 0.00 1.01 0.00 0.00 58.87 59.54 2kgk n SER 79 Cb 0.04 -0.54 0.82 0.00 -1.01 0.00 0.00 64.21 63.51 2kgk n SER 79 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2kgk h VAL 80 N -2.80 0.42 -0.59 0.44 3.04 -1.99 -0.96 116.25 113.81 2kgk h VAL 80 Ca -0.22 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.51 2kgk h VAL 80 Cb 0.72 0.79 -0.04 0.00 -2.01 0.00 0.00 31.29 30.75 2kgk h VAL 80 CO 0.13 0.00 0.34 -0.33 -1.01 0.00 0.00 177.57 176.70 2kgk h GLU 81 N 0.00 0.63 0.03 4.17 5.08 -2.00 0.28 114.58 122.78 2kgk h GLU 81 Ca 0.10 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2kgk h GLU 81 Cb 0.62 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2kgk h GLU 81 CO -0.00 0.42 -0.02 1.49 -1.00 0.00 0.00 179.01 179.90 2kgk h GLU 82 N 0.65 -0.04 -0.82 2.33 4.57 -1.46 -3.27 114.58 116.53 2kgk h GLU 82 Ca 0.25 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.59 2kgk h GLU 82 Cb 0.09 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.63 2kgk h GLU 82 CO -0.13 0.65 0.54 0.28 -1.18 0.00 0.00 179.01 179.17 2kgk h VAL 83 N -0.84 0.79 -0.02 0.32 2.07 -1.37 0.16 116.25 117.36 2kgk h VAL 83 Ca -0.00 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.37 2kgk h VAL 83 Cb 0.71 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2kgk h VAL 83 CO 0.01 0.09 -0.30 0.15 0.02 0.00 0.00 177.57 177.54 2kgk h PHE 84 N 0.51 -0.83 -0.21 1.57 3.57 -0.49 -1.87 116.94 119.19 2kgk h PHE 84 Ca 0.41 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.73 2kgk h PHE 84 Cb 0.85 0.37 0.01 0.00 2.79 0.00 0.00 35.95 39.97 2kgk h PHE 84 CO -0.00 -0.40 -0.67 1.05 -2.23 0.00 0.00 178.31 176.06 2kgk h GLU 85 N -0.44 0.83 -0.58 1.11 4.11 -1.45 -3.04 114.58 115.13 2kgk h GLU 85 Ca 0.07 -0.61 0.17 0.00 0.07 0.00 0.00 59.36 59.05 2kgk h GLU 85 Cb 0.54 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2kgk h GLU 85 CO -0.27 1.23 0.58 1.25 0.07 0.00 0.00 179.01 181.87 2kgk h LEU 86 N 0.60 0.00 -0.04 3.06 5.85 -0.67 0.08 115.31 124.19 2kgk h LEU 86 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kgk h LEU 86 Cb 1.30 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2kgk h LEU 86 CO 0.14 0.00 0.01 0.00 -0.34 0.00 0.00 178.44 178.26 2kgk n LYS 88 N -4.96 0.10 0.22 0.00 2.85 0.00 -1.68 118.16 114.70 2kgk n LYS 88 Ca -0.07 0.23 0.11 0.00 -1.05 0.00 0.00 58.31 57.53 2kgk n LYS 88 Cb 0.12 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.34 2kgk n LYS 88 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2kgk h ASN 89 N 0.00 0.00 -4.47 -5.58 -0.00 -1.19 -3.45 115.58 100.89 2kgk h ASN 89 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.30 56.02 2kgk h ASN 89 Cb 0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 38.32 38.19 2kgk h ASN 89 CO 0.00 0.16 -0.74 -1.61 -0.00 0.00 0.00 177.43 175.24 2kgk s GLU 90 N -3.38 0.46 0.00 6.67 0.41 -0.68 -5.10 118.70 117.09 2kgk s GLU 90 Ca 0.03 -0.54 0.00 0.00 -0.41 0.00 0.00 54.97 54.06 2kgk s GLU 90 Cb 0.08 -0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.14 2kgk s GLU 90 CO 0.65 0.06 0.51 0.39 -0.49 0.00 0.00 175.26 176.37 2kgk n GLU 91 N 2.01 0.00 -3.01 1.61 -0.58 -1.26 -4.43 120.64 114.98 2kgk n GLU 91 Ca -0.19 0.08 -0.43 0.00 -0.42 0.00 0.00 57.16 56.20 2kgk n GLU 91 Cb 0.56 -1.02 -0.06 0.00 -0.57 0.00 0.00 31.44 30.35 2kgk n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2kgk s GLU 92 N -1.18 3.43 0.13 3.49 2.02 -1.26 -2.23 118.70 123.11 2kgk s GLU 92 Ca 0.00 -0.11 0.09 0.00 0.02 0.00 0.00 54.97 54.96 2kgk s GLU 92 Cb 0.00 -3.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 2kgk s GLU 92 CO 0.00 -1.03 -0.16 0.96 0.02 0.00 0.00 175.26 175.05 2kgk s ILE 93 N 3.11 2.97 -0.14 -1.63 -0.00 -1.04 -4.71 121.20 119.76 2kgk s ILE 93 Ca 0.28 -1.50 0.02 0.00 -0.00 0.00 0.00 60.65 59.45 2kgk s ILE 93 Cb -0.13 -2.39 0.01 0.00 -0.00 0.00 0.00 42.46 39.95 2kgk s ILE 93 CO 0.21 0.07 -0.21 -0.36 -0.00 0.00 0.00 174.94 174.64 2kgk s PHE 94 N -1.25 2.68 -0.20 1.37 0.40 -0.98 -2.31 117.98 117.68 2kgk s PHE 94 Ca 0.20 -1.31 -0.03 0.00 -0.60 0.00 0.00 56.93 55.18 2kgk s PHE 94 Cb -0.10 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 2kgk s PHE 94 CO 0.11 -0.60 -0.06 0.42 0.70 0.00 0.00 175.22 175.80 2kgk s ILE 95 N 0.81 3.35 -0.05 0.64 -1.09 -1.02 -2.41 121.20 121.43 2kgk s ILE 95 Ca -0.07 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 2kgk s ILE 95 Cb -0.16 -2.50 0.01 0.00 -1.58 0.00 0.00 42.46 38.23 2kgk s ILE 95 CO -0.02 0.44 0.90 0.33 -1.23 0.00 0.00 174.94 175.37 2kgk n PHE 96 N 4.55 0.02 0.00 3.97 7.35 0.26 -2.17 117.46 131.44 2kgk n PHE 96 Ca -0.18 -0.39 0.00 0.00 -0.76 0.00 0.00 57.45 56.12 2kgk n PHE 96 Cb 0.51 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 40.30 2kgk n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2kgk n GLY 97 N -0.34 -0.39 0.00 7.13 0.00 0.19 -4.44 105.19 107.35 2kgk n GLY 97 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2kgk n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgk n GLY 98 N -0.18 -1.30 0.20 -0.02 0.00 -1.26 -2.48 105.19 100.15 2kgk n GLY 98 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 2kgk n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgk h ALA 99 N 0.00 0.03 -0.51 4.61 0.00 -1.99 0.36 119.26 121.77 2kgk h ALA 99 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2kgk h ALA 99 Cb 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2kgk h ALA 99 CO 0.00 -0.56 0.04 -0.56 0.00 0.00 0.00 179.25 178.17 2kgk h GLN 100 N -0.13 0.88 -0.98 0.00 3.07 -1.99 -1.77 115.11 114.19 2kgk h GLN 100 Ca 0.13 -0.26 0.02 0.00 0.09 0.00 0.00 58.65 58.64 2kgk h GLN 100 Cb 0.33 -0.09 -0.05 0.00 0.08 0.00 0.00 27.48 27.75 2kgk h GLN 100 CO -0.32 0.89 0.64 0.82 0.09 0.00 0.00 178.83 180.95 2kgk h ILE 101 N 0.75 1.21 -0.04 1.86 1.08 -1.77 -0.56 117.51 120.04 2kgk h ILE 101 Ca 0.15 -0.44 -0.07 0.00 -0.39 0.00 0.00 64.86 64.11 2kgk h ILE 101 Cb 0.47 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.03 2kgk h ILE 101 CO 0.02 0.23 -0.32 1.88 -0.69 0.00 0.00 178.15 179.27 2kgk h TYR 102 N 1.27 0.07 -0.00 1.37 0.05 0.00 -1.39 116.97 118.35 2kgk h TYR 102 Ca 0.37 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.14 2kgk h TYR 102 Cb -0.07 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.65 2kgk h TYR 102 CO -0.00 0.39 -0.01 0.22 -1.05 0.00 0.00 178.16 177.70 2kgk h ASP 103 N 0.06 0.02 0.22 3.88 3.58 -0.30 -2.41 116.42 121.47 2kgk h ASP 103 Ca 0.01 -0.64 -0.02 0.00 0.42 0.00 0.00 57.03 56.79 2kgk h ASP 103 Cb 0.61 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2kgk h ASP 103 CO 0.04 0.66 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.88 2kgk h LEU 104 N -0.62 0.00 -3.41 2.28 3.38 -1.08 -0.77 115.31 115.10 2kgk h LEU 104 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kgk h LEU 104 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kgk h LEU 104 CO 0.00 0.11 0.00 0.49 0.09 0.00 0.00 178.44 179.13 2kgk n PHE 105 N -3.91 1.97 0.07 1.13 3.01 -0.53 -4.40 117.46 114.79 2kgk n PHE 105 Ca -0.02 -0.68 -0.03 0.00 1.01 0.00 0.00 57.45 57.73 2kgk n PHE 105 Cb 0.20 -0.49 0.21 0.00 -0.01 0.00 0.00 39.48 39.39 2kgk n PHE 105 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2kgk h LEU 106 N 3.76 0.32 -1.31 4.37 6.46 -0.60 0.54 115.31 128.85 2kgk h LEU 106 Ca 0.00 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2kgk h LEU 106 Cb 1.90 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.74 2kgk h LEU 106 CO 0.46 0.68 0.00 -0.81 -0.62 0.00 0.00 178.44 178.15 2kgk n PRO 107 N -4.05 1.84 -0.00 5.25 -0.04 -1.26 -4.13 135.00 132.60 2kgk n PRO 107 Ca -0.01 -1.28 -0.00 0.00 -0.04 0.00 0.00 63.50 62.16 2kgk n PRO 107 Cb 0.47 -1.35 -0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2kgk n PRO 107 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kgk n TYR 108 N 0.52 0.00 -2.00 0.54 4.01 -1.00 -5.05 117.16 114.17 2kgk n TYR 108 Ca 0.15 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.54 2kgk n TYR 108 Cb 0.34 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.39 2kgk n TYR 108 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kgk s VAL 109 N -2.00 2.92 -0.07 -0.72 0.11 0.15 -4.92 120.40 115.87 2kgk s VAL 109 Ca -0.00 0.53 -0.09 0.00 -2.93 0.00 0.00 61.98 59.49 2kgk s VAL 109 Cb 0.00 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 2kgk s VAL 109 CO 0.01 -0.16 -0.18 0.47 -3.33 0.00 0.00 175.10 171.90 2kgk n ASP 110 N -1.75 1.43 -4.77 3.54 8.00 -0.79 -4.84 116.55 117.38 2kgk n ASP 110 Ca 0.12 0.23 -0.36 0.00 0.71 0.00 0.00 54.79 55.49 2kgk n ASP 110 Cb 0.51 -0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 41.01 2kgk n ASP 110 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kgk s LYS 111 N -2.43 3.98 -0.19 -1.24 3.01 0.17 -1.93 119.74 121.11 2kgk s LYS 111 Ca -0.16 -0.18 -0.01 0.00 -1.01 0.00 0.00 55.97 54.61 2kgk s LYS 111 Cb 0.03 -3.35 0.05 0.00 -1.01 0.00 0.00 37.83 33.55 2kgk s LYS 111 CO 0.23 0.44 -0.04 -1.17 0.51 0.00 0.00 175.35 175.32 2kgk s LEU 112 N -0.04 1.79 -0.19 3.17 2.96 -0.76 -0.84 118.68 124.77 2kgk s LEU 112 Ca 0.10 -0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 53.15 2kgk s LEU 112 Cb -0.11 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.64 2kgk s LEU 112 CO -0.00 -0.22 -0.06 -0.72 -1.32 0.00 0.00 176.35 174.02 2kgk s TYR 113 N 1.61 2.93 -0.01 5.38 -0.85 -0.84 0.40 117.35 125.97 2kgk s TYR 113 Ca -0.01 -0.78 0.08 0.00 -0.52 0.00 0.00 57.07 55.84 2kgk s TYR 113 Cb -0.17 -2.02 -0.02 0.00 0.38 0.00 0.00 41.96 40.14 2kgk s TYR 113 CO -0.07 -0.39 -0.25 0.42 -1.52 0.00 0.00 175.55 173.73 2kgk s ILE 114 N 1.04 2.02 -0.12 -3.49 1.01 -0.26 -2.56 121.20 118.83 2kgk s ILE 114 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.54 2kgk s ILE 114 Cb -0.15 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 2kgk s ILE 114 CO -0.00 0.54 -0.16 -0.89 0.00 0.00 0.00 174.94 174.43 2kgk s THR 115 N -0.62 2.80 0.05 2.92 2.01 -0.93 -0.12 115.64 121.75 2kgk s THR 115 Ca 0.10 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 2kgk s THR 115 Cb -0.10 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 2kgk s THR 115 CO -0.01 0.53 0.30 -0.75 -0.69 0.00 0.00 174.62 174.01 2kgk s LYS 116 N 0.35 3.59 0.03 4.92 2.20 0.12 0.20 119.74 131.16 2kgk s LYS 116 Ca -0.13 -0.10 0.07 0.00 -0.36 0.00 0.00 55.97 55.45 2kgk s LYS 116 Cb -0.16 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 2kgk s LYS 116 CO 0.06 0.59 -0.19 0.42 -0.36 0.00 0.00 175.35 175.88 2kgk s ILE 117 N -1.42 1.55 -0.70 5.43 1.01 -0.60 -0.19 121.20 126.28 2kgk s ILE 117 Ca 0.32 -1.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 2kgk s ILE 117 Cb -0.13 -1.34 0.35 0.00 0.01 0.00 0.00 42.46 41.35 2kgk s ILE 117 CO 0.20 0.22 2.11 1.57 0.00 0.00 0.00 174.94 179.04 2kgk n HIS 118 N 2.02 2.82 -3.72 3.97 -0.00 -0.18 -3.37 115.22 116.76 2kgk n HIS 118 Ca -0.17 -2.52 -0.13 0.00 0.46 0.00 0.00 57.72 55.36 2kgk n HIS 118 Cb 0.54 -1.29 -0.13 0.00 -0.12 0.00 0.00 29.99 28.98 2kgk n HIS 118 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kgk s HIS 119 N -3.57 -0.30 -0.08 1.57 4.02 -1.26 -4.79 115.29 110.88 2kgk s HIS 119 Ca 0.56 0.75 0.01 0.00 1.02 0.00 0.00 55.06 57.40 2kgk s HIS 119 Cb 0.45 0.01 0.02 0.00 -1.02 0.00 0.00 32.58 32.03 2kgk s HIS 119 CO -0.22 -0.23 -0.10 0.00 1.02 0.00 0.00 174.74 175.21 2kgk s ALA 120 N 1.39 1.22 -0.28 -1.40 0.00 -1.26 -4.66 121.76 116.76 2kgk s ALA 120 Ca -0.08 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2kgk s ALA 120 Cb -0.11 -0.65 0.17 0.00 0.00 0.00 0.00 23.12 22.54 2kgk s ALA 120 CO -0.08 -0.05 0.50 -0.06 0.00 0.00 0.00 175.76 176.07 2kgk s PHE 121 N 0.98 -1.36 0.00 0.00 0.08 -1.26 -5.04 117.98 111.39 2kgk s PHE 121 Ca -0.09 0.90 0.00 0.00 0.12 0.00 0.00 56.93 57.86 2kgk s PHE 121 Cb -0.15 0.15 0.00 0.00 -0.57 0.00 0.00 43.02 42.46 2kgk s PHE 121 CO -0.00 -0.96 0.00 0.39 -0.10 0.00 0.00 175.22 174.55 2kgk n GLU 122 N 5.39 -0.25 -2.83 0.44 1.02 -1.26 -4.57 120.64 118.57 2kgk n GLU 122 Ca 0.01 0.50 -0.27 0.00 -0.02 0.00 0.00 57.16 57.38 2kgk n GLU 122 Cb 0.51 -0.56 -0.01 0.00 -0.02 0.00 0.00 31.44 31.37 2kgk n GLU 122 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kgk s GLY 123 N -0.49 1.48 -0.10 0.62 0.00 -1.20 -4.21 107.32 103.42 2kgk s GLY 123 Ca 0.00 -0.59 0.20 0.00 0.00 0.00 0.00 44.72 44.33 2kgk s GLY 123 CO 0.00 -0.45 0.29 1.34 0.00 0.00 0.00 173.10 174.29 2kgk n ASP 124 N -2.09 0.19 -3.79 1.64 2.03 0.71 -4.91 116.55 110.34 2kgk n ASP 124 Ca -0.01 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.16 2kgk n ASP 124 Cb 0.55 1.55 -0.15 0.00 -0.72 0.00 0.00 41.12 42.35 2kgk n ASP 124 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kgk s THR 125 N -3.04 -0.04 0.29 5.18 2.01 -1.14 -4.89 115.64 114.00 2kgk s THR 125 Ca -0.09 0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.14 2kgk s THR 125 Cb 0.10 -0.11 -0.06 0.00 0.01 0.00 0.00 72.50 72.44 2kgk s THR 125 CO 0.84 0.06 -0.06 0.72 -0.69 0.00 0.00 174.62 175.49 2kgk s PHE 126 N 0.82 2.00 -0.11 4.92 -0.71 -1.26 -1.59 117.98 122.05 2kgk s PHE 126 Ca -0.07 -0.67 -0.03 0.00 -1.04 0.00 0.00 56.93 55.12 2kgk s PHE 126 Cb -0.09 -1.14 -0.03 0.00 -1.21 0.00 0.00 43.02 40.55 2kgk s PHE 126 CO -0.03 0.31 0.01 0.12 -1.34 0.00 0.00 175.22 174.29 2kgk s PHE 127 N -2.97 3.16 1.03 3.49 5.36 -0.99 -4.66 117.98 122.41 2kgk s PHE 127 Ca 0.30 0.13 -0.16 0.00 -0.96 0.00 0.00 56.93 56.23 2kgk s PHE 127 Cb 0.03 -1.84 0.22 0.00 -0.34 0.00 0.00 43.02 41.09 2kgk s PHE 127 CO 0.12 0.38 1.22 -1.25 -1.46 0.00 0.00 175.22 174.23 2kgk s PRO 128 N -0.60 0.13 1.41 10.12 0.04 -1.26 -4.94 135.00 139.90 2kgk s PRO 128 Ca 0.10 -0.16 -0.23 0.00 0.04 0.00 0.00 61.00 60.74 2kgk s PRO 128 Cb -0.12 -1.76 0.36 0.00 0.04 0.00 0.00 34.50 33.02 2kgk s PRO 128 CO 0.02 -2.80 0.96 -1.83 0.04 0.00 0.00 177.00 173.40 2kgk s GLU 129 N -5.62 -2.82 -0.14 4.56 -1.05 -1.26 -4.74 118.70 107.64 2kgk s GLU 129 Ca 0.71 -0.01 -0.10 0.00 -0.15 0.00 0.00 54.97 55.43 2kgk s GLU 129 Cb -0.08 -1.40 0.04 0.00 -0.44 0.00 0.00 34.13 32.25 2kgk s GLU 129 CO 0.54 -4.77 0.19 -1.33 0.95 0.00 0.00 175.26 170.84 2kgk n MET 130 N -5.53 -4.51 -4.57 -4.83 2.81 -1.26 -5.07 117.12 94.16 2kgk n MET 130 Ca 0.14 3.39 -0.27 0.00 -1.81 0.00 0.00 57.70 59.15 2kgk n MET 130 Cb 0.61 -4.80 -0.08 0.00 -0.71 0.00 0.00 33.22 28.24 2kgk n MET 130 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2kgk s ASP 131 N -0.62 3.08 -0.65 7.83 1.47 -1.26 -4.80 116.67 121.72 2kgk s ASP 131 Ca -0.22 -1.68 -0.05 0.00 1.18 0.00 0.00 52.55 51.78 2kgk s ASP 131 Cb 0.01 0.52 0.05 0.00 -0.34 0.00 0.00 42.92 43.16 2kgk s ASP 131 CO 0.60 -0.92 0.11 1.15 0.68 0.00 0.00 175.17 176.79 2kgk n MET 132 N -0.99 -0.93 0.01 2.11 0.00 -1.26 -4.68 117.12 111.38 2kgk n MET 132 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 57.70 57.68 2kgk n MET 132 Cb 0.65 -1.58 0.36 0.00 0.00 0.00 0.00 33.22 32.66 2kgk n MET 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kgk h THR 133 N -0.19 1.16 -0.81 3.17 1.03 -2.01 -3.29 112.91 111.95 2kgk h THR 133 Ca -0.24 -0.53 -0.33 0.00 -0.01 0.00 0.00 66.41 65.30 2kgk h THR 133 Cb 0.53 0.79 -0.34 0.00 -1.07 0.00 0.00 68.15 68.05 2kgk h THR 133 CO 0.31 0.19 -1.01 0.59 -0.01 0.00 0.00 175.52 175.59 2kgk n ASN 134 N -4.36 0.67 -4.33 0.00 4.13 -1.26 -5.11 115.26 105.00 2kgk n ASN 134 Ca 0.02 -2.68 -0.18 0.00 1.68 0.00 0.00 54.58 53.42 2kgk n ASN 134 Cb 0.17 -0.18 -0.10 0.00 -1.54 0.00 0.00 39.78 38.13 2kgk n ASN 134 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2kgk s TRP 135 N -2.36 1.63 -0.12 3.10 0.52 -1.24 -4.91 118.94 115.55 2kgk s TRP 135 Ca 0.26 -0.62 -0.01 0.00 0.02 0.00 0.00 56.10 55.76 2kgk s TRP 135 Cb 0.44 -0.78 0.03 0.00 -1.15 0.00 0.00 33.47 32.02 2kgk s TRP 135 CO 0.01 0.30 -0.04 0.21 0.02 0.00 0.00 176.95 177.45 2kgk s LYS 136 N -3.67 1.16 -0.56 4.98 2.36 -1.24 -5.00 119.74 117.78 2kgk s LYS 136 Ca 0.22 -0.24 -0.27 0.00 -2.55 0.00 0.00 55.97 53.13 2kgk s LYS 136 Cb 0.00 -1.58 -0.02 0.00 -1.05 0.00 0.00 37.83 35.19 2kgk s LYS 136 CO 0.06 -0.36 1.82 -1.83 1.55 0.00 0.00 175.35 176.59 2kgk s GLU 137 N 1.78 2.80 0.16 4.03 -1.05 -1.26 -1.99 118.70 123.17 2kgk s GLU 137 Ca 0.03 0.75 0.15 0.00 -0.15 0.00 0.00 54.97 55.75 2kgk s GLU 137 Cb -0.14 -4.34 -0.06 0.00 -0.44 0.00 0.00 34.13 29.16 2kgk s GLU 137 CO -0.07 -2.52 1.15 -0.24 0.95 0.00 0.00 175.26 174.52 2kgk h VAL 138 N 6.84 0.82 -2.01 1.83 3.04 -1.30 -3.48 116.25 122.00 2kgk h VAL 138 Ca -0.27 -2.29 -0.05 0.00 -1.01 0.00 0.00 66.70 63.08 2kgk h VAL 138 Cb 1.16 2.32 -0.20 0.00 -2.01 0.00 0.00 31.29 32.56 2kgk h VAL 138 CO 1.18 0.47 0.15 0.12 -1.01 0.00 0.00 177.57 178.48 2kgk s PHE 139 N -2.90 -0.73 -0.05 3.17 2.19 -1.14 -5.02 117.98 113.50 2kgk s PHE 139 Ca 0.01 1.59 -0.04 0.00 0.33 0.00 0.00 56.93 58.82 2kgk s PHE 139 Cb 0.08 0.33 0.01 0.00 -1.31 0.00 0.00 43.02 42.13 2kgk s PHE 139 CO 0.78 -0.47 0.13 0.54 1.83 0.00 0.00 175.22 178.03 2kgk s VAL 140 N -0.27 0.00 0.00 3.12 0.11 -1.26 0.10 120.40 122.21 2kgk s VAL 140 Ca -0.05 -0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.96 2kgk s VAL 140 Cb -0.03 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.63 2kgk s VAL 140 CO 0.05 -0.00 0.06 -0.70 -3.33 0.00 0.00 175.10 171.18 2kgk s GLU 141 N 0.05 0.34 0.10 1.54 2.56 0.12 -5.00 118.70 118.43 2kgk s GLU 141 Ca -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 54.97 54.61 2kgk s GLU 141 Cb -0.01 0.14 -0.04 0.00 2.00 0.00 0.00 34.13 36.22 2kgk s GLU 141 CO 0.00 -0.07 0.16 -1.59 -0.56 0.00 0.00 175.26 173.21 2kgk s LYS 142 N -1.15 3.14 0.00 4.30 0.00 -1.26 0.23 119.74 125.00 2kgk s LYS 142 Ca -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 55.97 55.20 2kgk s LYS 142 Cb -0.07 -2.84 0.00 0.00 0.00 0.00 0.00 37.83 34.92 2kgk s LYS 142 CO 0.00 0.55 0.00 0.41 0.00 0.00 0.00 175.35 176.32 2kgk n GLY 143 N 0.06 3.59 0.00 0.59 0.00 0.47 -4.82 105.19 105.08 2kgk n GLY 143 Ca -0.07 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2kgk n GLY 143 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kgk n LEU 144 N 0.00 0.00 -4.31 0.99 7.94 -1.26 -4.77 117.00 115.59 2kgk n LEU 144 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 2kgk n LEU 144 Cb 0.00 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.80 2kgk n LEU 144 CO 0.00 0.00 -0.55 0.28 -1.11 0.00 0.00 177.39 176.01 2kgk s THR 145 N -1.03 1.97 0.24 1.96 -1.32 -1.18 -3.94 115.64 112.35 2kgk s THR 145 Ca 0.00 -1.30 0.07 0.00 -1.21 0.00 0.00 61.69 59.25 2kgk s THR 145 Cb 0.00 -1.69 -0.05 0.00 -1.51 0.00 0.00 72.50 69.25 2kgk s THR 145 CO 0.00 0.33 -0.10 -0.62 -2.21 0.00 0.00 174.62 172.01 2kgk s ASP 146 N -1.17 2.68 0.23 8.08 2.15 -0.26 -4.92 116.67 123.45 2kgk s ASP 146 Ca 0.10 -1.11 -0.07 0.00 0.43 0.00 0.00 52.55 51.91 2kgk s ASP 146 Cb -0.10 -0.15 0.20 0.00 -0.30 0.00 0.00 42.92 42.57 2kgk s ASP 146 CO 0.02 -0.25 1.80 -0.08 -0.17 0.00 0.00 175.17 176.49 2kgk h GLU 147 N 2.41 1.18 0.00 4.34 4.57 -2.00 -0.56 114.58 124.52 2kgk h GLU 147 Ca -0.39 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 2kgk h GLU 147 Cb 1.23 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2kgk h GLU 147 CO 0.64 0.94 -0.13 0.87 -1.18 0.00 0.00 179.01 180.15 2kgk h LYS 148 N 1.15 0.00 -2.00 1.92 1.79 -1.99 -3.39 116.57 114.05 2kgk h LYS 148 Ca 0.27 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 58.26 2kgk h LYS 148 Cb 0.18 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 30.51 2kgk h LYS 148 CO -0.03 0.00 -0.86 0.09 -1.08 0.00 0.00 179.45 177.57 2kgk n ASN 149 N -2.35 -1.21 -4.04 0.86 5.03 -0.73 -4.91 115.26 107.90 2kgk n ASN 149 Ca 0.05 -2.52 -0.38 0.00 0.87 0.00 0.00 54.58 52.59 2kgk n ASN 149 Cb 0.45 0.02 -0.05 0.00 -1.02 0.00 0.00 39.78 39.18 2kgk n ASN 149 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2kgk n PRO 150 N 2.81 1.88 -3.88 3.52 -0.04 -0.29 -1.10 135.00 137.90 2kgk n PRO 150 Ca 0.27 -2.29 -0.09 0.00 -0.04 0.00 0.00 63.50 61.35 2kgk n PRO 150 Cb 0.50 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 2kgk n PRO 150 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2kgk s TYR 151 N 6.60 0.21 -0.22 0.54 2.02 -1.26 -4.93 117.35 120.31 2kgk s TYR 151 Ca 0.59 -0.59 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 2kgk s TYR 151 Cb 0.09 0.03 0.04 0.00 -0.40 0.00 0.00 41.96 41.72 2kgk s TYR 151 CO 0.10 -0.70 -0.13 0.99 -1.57 0.00 0.00 175.55 174.23 2kgk s THR 152 N -3.91 1.95 0.16 -0.71 2.01 -1.25 -3.08 115.64 110.80 2kgk s THR 152 Ca 0.12 -1.23 0.06 0.00 0.31 0.00 0.00 61.69 60.94 2kgk s THR 152 Cb 0.03 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2kgk s THR 152 CO -0.04 0.18 -0.12 -0.72 -0.69 0.00 0.00 174.62 173.23 2kgk s TYR 153 N 1.26 1.42 0.04 4.92 -0.85 -1.26 -1.01 117.35 121.87 2kgk s TYR 153 Ca -0.03 -0.68 0.08 0.00 -0.52 0.00 0.00 57.07 55.92 2kgk s TYR 153 Cb -0.17 -0.70 -0.03 0.00 0.38 0.00 0.00 41.96 41.45 2kgk s TYR 153 CO -0.08 0.18 -0.22 0.71 -1.52 0.00 0.00 175.55 174.62 2kgk s TYR 154 N -3.12 1.90 -0.14 -3.49 2.02 0.73 -0.39 117.35 114.85 2kgk s TYR 154 Ca 0.18 -0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 56.41 2kgk s TYR 154 Cb 0.01 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2kgk s TYR 154 CO 0.03 0.09 0.17 -0.47 -1.57 0.00 0.00 175.55 173.80 2kgk s TYR 155 N -0.78 3.55 0.05 2.71 5.04 0.63 0.15 117.35 128.70 2kgk s TYR 155 Ca 0.08 0.52 0.05 0.00 -2.44 0.00 0.00 57.07 55.28 2kgk s TYR 155 Cb -0.09 -2.06 -0.02 0.00 0.35 0.00 0.00 41.96 40.14 2kgk s TYR 155 CO 0.02 0.57 -0.13 -1.01 -1.34 0.00 0.00 175.55 173.65 2kgk s HIS 156 N -0.53 1.16 -0.02 4.97 3.76 0.83 0.14 115.29 125.60 2kgk s HIS 156 Ca 0.14 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 2kgk s HIS 156 Cb -0.12 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2kgk s HIS 156 CO 0.03 0.03 -0.09 0.08 -0.85 0.00 0.00 174.74 173.95 2kgk s VAL 157 N -1.03 0.77 0.19 -0.90 1.01 0.29 -1.10 120.40 119.63 2kgk s VAL 157 Ca -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2kgk s VAL 157 Cb -0.09 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2kgk s VAL 157 CO 0.02 0.24 -0.03 -0.31 0.00 0.00 0.00 175.10 175.02 2kgk s TYR 158 N 0.16 1.35 0.06 5.22 1.51 0.16 -0.83 117.35 124.99 2kgk s TYR 158 Ca -0.03 -0.92 0.01 0.00 -1.01 0.00 0.00 57.07 55.13 2kgk s TYR 158 Cb -0.08 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 2kgk s TYR 158 CO 0.00 -0.07 -0.06 -1.21 -1.11 0.00 0.00 175.55 173.10 2kgk s GLU 159 N -3.85 0.64 0.14 -0.62 2.02 -0.84 -1.83 118.70 114.36 2kgk s GLU 159 Ca 0.24 -1.09 0.05 0.00 0.02 0.00 0.00 54.97 54.19 2kgk s GLU 159 Cb 0.05 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 2kgk s GLU 159 CO 0.05 -0.03 0.10 0.15 0.02 0.00 0.00 175.26 175.55 2kgk s LYS 160 N -3.05 2.81 0.06 1.61 -0.14 -0.81 -3.63 119.74 116.59 2kgk s LYS 160 Ca 0.02 -0.85 0.15 0.00 -1.36 0.00 0.00 55.97 53.93 2kgk s LYS 160 Cb 0.01 -2.62 -0.14 0.00 -1.68 0.00 0.00 37.83 33.39 2kgk s LYS 160 CO -0.04 0.50 0.87 -0.56 -0.76 0.00 0.00 175.35 175.36 2kgk h GLN 161 N 2.73 0.00 0.00 1.68 -0.00 -1.90 -3.49 115.11 114.13 2kgk h GLN 161 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 2kgk h GLN 161 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 2kgk h GLN 161 CO 0.63 0.41 0.00 1.04 -0.00 0.00 0.00 178.83 180.90