#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 1.56 -0.34 1.12 1.01 -0.87 -4.97 121.20 118.70 2kgk s ILE 2 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 2kgk s ILE 2 Cb 0.00 -1.44 0.08 0.00 0.01 0.00 0.00 42.46 41.12 2kgk s ILE 2 CO 0.00 0.45 0.07 -0.69 0.00 0.00 0.00 174.94 174.78 2kgk s VAL 3 N 1.15 2.84 0.22 2.92 1.01 -1.26 -1.97 120.40 125.31 2kgk s VAL 3 Ca -0.03 -1.89 -0.19 0.00 0.00 0.00 0.00 61.98 59.88 2kgk s VAL 3 Cb -0.14 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 2kgk s VAL 3 CO -0.05 -0.43 0.70 -0.44 0.00 0.00 0.00 175.10 174.88 2kgk s SER 4 N 1.36 7.01 -0.14 3.32 0.01 0.27 -0.28 113.70 125.25 2kgk s SER 4 Ca 0.03 1.36 -0.00 0.00 1.31 0.00 0.00 55.95 58.65 2kgk s SER 4 Cb -0.21 -2.40 0.03 0.00 0.21 0.00 0.00 66.02 63.66 2kgk s SER 4 CO -0.04 0.03 -0.09 0.12 0.41 0.00 0.00 173.24 173.67 2kgk s PHE 5 N -1.54 1.79 -0.32 2.43 2.19 -0.19 0.13 117.98 122.47 2kgk s PHE 5 Ca 0.43 -1.02 -0.13 0.00 0.33 0.00 0.00 56.93 56.54 2kgk s PHE 5 Cb -0.16 -1.38 -0.03 0.00 -1.31 0.00 0.00 43.02 40.14 2kgk s PHE 5 CO 0.21 -0.60 0.28 1.41 1.83 0.00 0.00 175.22 178.35 2kgk s MET 6 N 1.61 3.71 -0.00 10.12 1.75 -0.66 -0.62 119.30 135.19 2kgk s MET 6 Ca 0.04 -0.40 -0.04 0.00 -1.25 0.00 0.00 55.69 54.04 2kgk s MET 6 Cb -0.14 -3.75 -0.00 0.00 2.84 0.00 0.00 34.83 33.79 2kgk s MET 6 CO -0.09 -0.38 0.08 0.08 -0.65 0.00 0.00 175.02 174.06 2kgk s VAL 7 N 1.87 0.07 0.35 10.11 1.01 -1.00 -4.62 120.40 128.18 2kgk s VAL 7 Ca 0.09 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.58 2kgk s VAL 7 Cb -0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 2kgk s VAL 7 CO 0.11 -0.31 0.48 0.00 0.00 0.00 0.00 175.10 175.38 2kgk s ALA 8 N -1.00 4.28 -0.24 5.51 0.00 -1.26 -2.25 121.76 126.80 2kgk s ALA 8 Ca -0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 2kgk s ALA 8 Cb -0.06 -1.67 0.08 0.00 0.00 0.00 0.00 23.12 21.47 2kgk s ALA 8 CO 0.00 -0.07 0.11 1.41 0.00 0.00 0.00 175.76 177.21 2kgk s MET 9 N -4.20 0.20 0.04 0.00 1.75 -0.07 -4.47 119.30 112.55 2kgk s MET 9 Ca 0.46 -0.38 -0.29 0.00 -1.25 0.00 0.00 55.69 54.24 2kgk s MET 9 Cb -0.10 -1.54 -0.04 0.00 2.84 0.00 0.00 34.83 36.00 2kgk s MET 9 CO 0.31 -0.85 0.92 -0.51 -0.65 0.00 0.00 175.02 174.24 2kgk s ASP 10 N 2.07 7.36 0.54 1.11 1.01 -1.00 -1.49 116.67 126.27 2kgk s ASP 10 Ca 0.06 1.64 0.22 0.00 0.71 0.00 0.00 52.55 55.17 2kgk s ASP 10 Cb -0.16 -2.55 1.42 0.00 1.01 0.00 0.00 42.92 42.64 2kgk s ASP 10 CO -0.23 -0.15 2.12 1.05 0.21 0.00 0.00 175.17 178.17 2kgk h GLU 11 N 6.24 0.00 -0.01 8.23 4.11 -1.80 -2.33 114.58 129.02 2kgk h GLU 11 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2kgk h GLU 11 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kgk h GLU 11 CO 0.73 0.00 -0.08 0.09 0.07 0.00 0.00 179.01 179.83 2kgk n ASN 12 N -4.31 1.27 0.00 3.06 3.02 -1.26 -5.02 115.26 112.02 2kgk n ASN 12 Ca 0.01 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 2kgk n ASN 12 Cb 0.24 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2kgk n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kgk n ARG 13 N 0.01 0.00 0.00 3.52 5.12 -0.87 -4.76 116.66 119.67 2kgk n ARG 13 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2kgk n ARG 13 Cb 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 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 0.02 1.55 3.14 -0.91 -2.54 118.33 119.59 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 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 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 -1.81 0.00 -2.40 1.55 -5.35 -1.14 -2.38 119.36 107.82 2kgk n ILE 15 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 2kgk n ILE 15 Cb 0.00 -0.12 -0.03 0.00 -1.74 0.00 0.00 39.64 37.75 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 -2.72 0.85 0.10 3.28 0.00 -1.14 -3.75 107.32 103.93 2kgk s GLY 16 Ca 0.00 -1.75 0.12 0.00 0.00 0.00 0.00 44.72 43.09 2kgk s GLY 16 CO 0.00 2.92 1.08 0.07 0.00 0.00 0.00 173.10 177.17 2kgk h LYS 17 N 10.66 0.00 -0.24 2.90 2.10 -0.89 -0.13 116.57 130.97 2kgk h LYS 17 Ca 0.03 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.59 2kgk h LYS 17 Cb 1.03 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.22 2kgk h LYS 17 CO 1.33 0.66 -0.23 -3.47 -2.00 0.00 0.00 179.45 175.73 2kgk n ASP 18 N -3.17 -2.05 0.00 7.07 2.03 -1.26 -2.46 116.55 116.71 2kgk n ASP 18 Ca -0.05 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.25 2kgk n ASP 18 Cb 0.91 1.12 0.00 0.00 -0.72 0.00 0.00 41.12 42.43 2kgk n ASP 18 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kgk n ASN 19 N 2.15 -4.54 -3.55 1.67 4.05 -1.26 -4.84 115.26 108.94 2kgk n ASN 19 Ca 0.09 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.11 2kgk n ASN 19 Cb 0.65 -2.74 0.01 0.00 1.23 0.00 0.00 39.78 38.93 2kgk n ASN 19 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2kgk s ASN 20 N -2.03 -0.03 0.15 1.20 3.04 -1.26 -4.43 114.94 111.58 2kgk s ASN 20 Ca 0.00 -0.47 0.05 0.00 0.04 0.00 0.00 52.86 52.48 2kgk s ASN 20 Cb 0.00 0.38 -0.04 0.00 -1.54 0.00 0.00 41.25 40.05 2kgk s ASN 20 CO 0.00 -0.74 0.11 -1.48 -3.04 0.00 0.00 177.10 171.95 2kgk s LEU 21 N -3.37 3.74 0.36 3.21 -0.00 -1.25 -0.25 118.68 121.12 2kgk s LEU 21 Ca 0.21 -0.15 -0.28 0.00 -0.00 0.00 0.00 54.13 53.91 2kgk s LEU 21 Cb -0.01 -2.36 -0.10 0.00 -0.00 0.00 0.00 46.19 43.71 2kgk s LEU 21 CO 0.02 0.09 1.35 -2.16 -0.00 0.00 0.00 176.35 175.65 2kgk s PRO 22 N -2.98 4.23 0.62 1.48 0.04 -1.26 -4.96 135.00 132.18 2kgk s PRO 22 Ca 0.30 2.29 -0.14 0.00 0.04 0.00 0.00 61.00 63.49 2kgk s PRO 22 Cb -0.10 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 2kgk s PRO 22 CO 0.22 -0.32 1.06 -1.58 0.04 0.00 0.00 177.00 176.42 2kgk s TRP 23 N -1.16 3.01 -0.57 0.56 0.51 -1.26 -5.03 118.94 115.01 2kgk s TRP 23 Ca 0.51 1.49 0.04 0.00 -2.12 0.00 0.00 56.10 56.02 2kgk s TRP 23 Cb -0.41 -2.98 0.15 0.00 -0.81 0.00 0.00 33.47 29.42 2kgk s TRP 23 CO 0.55 -1.16 0.36 1.03 -0.51 0.00 0.00 176.95 177.21 2kgk s ARG 24 N -4.33 1.93 -0.17 4.98 3.00 -1.26 -4.96 118.95 118.13 2kgk s ARG 24 Ca 0.62 -2.74 -0.12 0.00 0.00 0.00 0.00 55.73 53.49 2kgk s ARG 24 Cb -0.16 -2.97 0.05 0.00 0.00 0.00 0.00 34.95 31.87 2kgk s ARG 24 CO 0.42 -1.22 0.24 1.28 0.00 0.00 0.00 175.30 176.02 2kgk n LEU 25 N 2.71 -6.21 0.21 2.53 4.77 -1.26 -4.46 117.00 115.30 2kgk n LEU 25 Ca 0.14 2.40 0.15 0.00 -0.03 0.00 0.00 56.01 58.67 2kgk n LEU 25 Cb 0.35 -3.31 0.75 0.00 -2.33 0.00 0.00 43.42 38.88 2kgk n LEU 25 CO 0.27 -4.01 0.94 1.55 -1.33 0.00 0.00 177.39 174.80 2kgk h PRO 26 N 4.14 0.00 0.19 3.23 0.13 -1.98 -1.46 132.00 136.25 2kgk h PRO 26 Ca -0.54 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.27 2kgk h PRO 26 Cb 1.21 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.37 2kgk h PRO 26 CO 0.01 0.00 -1.37 0.77 -0.23 0.00 0.00 178.00 177.18 2kgk h SER 27 N 0.00 0.88 0.17 1.44 0.02 -2.02 -3.21 113.55 110.83 2kgk h SER 27 Ca 0.00 -0.87 -0.07 0.00 -0.84 0.00 0.00 61.79 60.01 2kgk h SER 27 Cb 0.08 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2kgk h SER 27 CO 0.00 1.67 -0.26 -0.08 -1.14 0.00 0.00 176.83 177.02 2kgk h GLU 28 N 0.22 0.17 -0.82 3.45 4.81 -1.52 -2.39 114.58 118.49 2kgk h GLU 28 Ca -0.23 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.02 2kgk h GLU 28 Cb 2.05 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 31.36 2kgk h GLU 28 CO 0.26 0.42 0.54 1.25 -0.73 0.00 0.00 179.01 180.75 2kgk h LEU 29 N 0.15 0.79 0.07 1.64 5.85 -1.46 0.20 115.31 122.54 2kgk h LEU 29 Ca 0.02 0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.48 2kgk h LEU 29 Cb 0.55 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2kgk h LEU 29 CO 0.04 0.50 -1.33 0.06 -0.34 0.00 0.00 178.44 177.37 2kgk h GLN 30 N 0.89 0.14 -0.38 1.25 3.07 -1.49 -2.76 115.11 115.84 2kgk h GLN 30 Ca 0.36 -0.25 -0.16 0.00 0.09 0.00 0.00 58.65 58.70 2kgk h GLN 30 Cb 0.24 0.09 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 2kgk h GLN 30 CO -0.13 1.02 -0.37 -0.92 0.09 0.00 0.00 178.83 178.52 2kgk h TYR 31 N 0.04 1.11 -0.09 0.06 3.20 -0.95 0.11 116.97 120.45 2kgk h TYR 31 Ca -0.15 -0.33 -0.22 0.00 3.14 0.00 0.00 58.73 61.16 2kgk h TYR 31 Cb 1.93 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 39.97 2kgk h TYR 31 CO 0.04 1.16 -0.83 -0.24 -1.64 0.00 0.00 178.16 176.64 2kgk h VAL 32 N 0.75 1.31 -0.07 1.81 3.04 -0.74 -1.79 116.25 120.56 2kgk h VAL 32 Ca 0.06 -2.11 -0.22 0.00 -1.01 0.00 0.00 66.70 63.42 2kgk h VAL 32 Cb 0.96 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 2kgk h VAL 32 CO 0.09 0.65 -0.85 0.07 -1.01 0.00 0.00 177.57 176.53 2kgk h LYS 33 N 0.42 0.55 0.00 4.17 2.10 -1.49 -2.06 116.57 120.26 2kgk h LYS 33 Ca -0.06 -0.50 -0.12 0.00 -2.00 0.00 0.00 60.65 57.96 2kgk h LYS 33 Cb 1.46 0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.89 2kgk h LYS 33 CO 0.16 1.13 -0.55 1.57 -2.00 0.00 0.00 179.45 179.76 2kgk h LYS 34 N 0.35 0.00 0.09 0.07 2.10 -1.02 -1.85 116.57 116.30 2kgk h LYS 34 Ca -0.06 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.30 2kgk h LYS 34 Cb 1.46 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.78 2kgk h LYS 34 CO 0.16 0.55 -1.48 0.00 -2.00 0.00 0.00 179.45 176.68 2kgk h THR 35 N 0.00 1.20 0.05 0.07 1.03 -1.35 -3.33 112.91 110.57 2kgk h THR 35 Ca -0.01 -2.87 -0.23 0.00 -0.01 0.00 0.00 66.41 63.29 2kgk h THR 35 Cb 1.25 2.73 -0.02 0.00 -1.07 0.00 0.00 68.15 71.05 2kgk h THR 35 CO 0.07 0.80 -1.08 0.00 -0.01 0.00 0.00 175.52 175.31 2kgk h THR 36 N 0.05 1.62 -6.07 0.00 1.03 -1.42 -3.49 112.91 104.63 2kgk h THR 36 Ca -0.21 -3.22 -0.19 0.00 -0.01 0.00 0.00 66.41 62.78 2kgk h THR 36 Cb 1.98 2.85 0.01 0.00 -1.07 0.00 0.00 68.15 71.92 2kgk h THR 36 CO 0.15 0.93 -0.98 0.23 -0.01 0.00 0.00 175.52 175.84 2kgk n MET 37 N -3.45 -1.91 0.00 0.00 0.00 -0.70 -4.35 117.12 106.71 2kgk n MET 37 Ca -0.03 1.62 0.00 0.00 0.00 0.00 0.00 57.70 59.29 2kgk n MET 37 Cb 0.96 -3.10 0.00 0.00 0.00 0.00 0.00 33.22 31.07 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 0.14 0.96 1.00 3.03 0.00 0.13 -4.99 105.19 105.46 2kgk n GLY 38 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2kgk n GLY 38 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kgk n HIS 39 N 0.17 -2.61 -2.12 1.61 -0.00 -1.26 -2.54 115.22 108.47 2kgk n HIS 39 Ca 0.00 1.36 -0.42 0.00 -0.00 0.00 0.00 57.72 58.66 2kgk n HIS 39 Cb 0.00 -2.67 -0.03 0.00 -0.00 0.00 0.00 29.99 27.29 2kgk n HIS 39 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2kgk s PRO 40 N -3.12 4.26 -0.18 -0.41 0.04 -1.26 -2.57 135.00 131.76 2kgk s PRO 40 Ca 0.00 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2kgk s PRO 40 Cb 0.00 -3.50 0.01 0.00 0.04 0.00 0.00 34.50 31.06 2kgk s PRO 40 CO 0.00 -0.59 -0.17 -0.51 0.04 0.00 0.00 177.00 175.77 2kgk s LEU 41 N 2.15 2.27 -0.44 -3.56 2.01 0.63 -1.96 118.68 119.78 2kgk s LEU 41 Ca 0.67 -0.60 -0.09 0.00 0.01 0.00 0.00 54.13 54.12 2kgk s LEU 41 Cb -0.35 -1.52 0.10 0.00 0.01 0.00 0.00 46.19 44.42 2kgk s LEU 41 CO 0.29 0.00 0.30 -0.63 1.01 0.00 0.00 176.35 177.32 2kgk s ILE 42 N 1.28 4.23 0.12 -0.59 1.09 -1.03 0.47 121.20 126.77 2kgk s ILE 42 Ca 0.04 -1.58 0.09 0.00 -1.10 0.00 0.00 60.65 58.11 2kgk s ILE 42 Cb -0.13 -3.68 -0.04 0.00 -1.06 0.00 0.00 42.46 37.54 2kgk s ILE 42 CO -0.10 -0.63 -0.18 0.00 -0.10 0.00 0.00 174.94 173.93 2kgk s MET 43 N 1.40 1.80 0.16 2.79 0.23 -0.24 0.12 119.30 125.56 2kgk s MET 43 Ca 0.04 -1.20 -0.30 0.00 -1.03 0.00 0.00 55.69 53.20 2kgk s MET 43 Cb -0.24 -2.11 -0.08 0.00 -1.53 0.00 0.00 34.83 30.87 2kgk s MET 43 CO 0.01 0.47 1.21 0.20 -2.03 0.00 0.00 175.02 174.88 2kgk s GLY 44 N -2.22 2.59 0.55 3.16 0.00 -1.02 -2.13 107.32 108.25 2kgk s GLY 44 Ca 0.19 0.94 0.41 0.00 0.00 0.00 0.00 44.72 46.25 2kgk s GLY 44 CO 0.11 1.91 1.73 0.07 0.00 0.00 0.00 173.10 176.92 2kgk h ARG 45 N 5.62 0.00 0.04 2.90 0.11 -1.90 0.52 114.38 121.67 2kgk h ARG 45 Ca -0.44 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.64 2kgk h ARG 45 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2kgk h ARG 45 CO 0.76 0.00 -0.02 0.87 0.10 0.00 0.00 179.97 181.68 2kgk h LYS 46 N 0.00 -0.05 -0.01 0.08 1.79 -1.89 -1.78 116.57 114.71 2kgk h LYS 46 Ca 0.68 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 59.12 2kgk h LYS 46 Cb 2.73 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 33.39 2kgk h LYS 46 CO -0.01 0.32 -0.12 -0.91 -1.08 0.00 0.00 179.45 177.66 2kgk h ASN 47 N -0.44 0.01 -0.04 0.86 4.21 -0.33 -0.87 115.58 118.98 2kgk h ASN 47 Ca -0.01 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 2kgk h ASN 47 Cb 0.40 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2kgk h ASN 47 CO 0.01 0.13 -0.05 0.22 -1.29 0.00 0.00 177.43 176.44 2kgk h TYR 48 N 0.01 0.14 0.00 1.19 3.20 -1.00 0.20 116.97 120.71 2kgk h TYR 48 Ca 0.00 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 2kgk h TYR 48 Cb 0.21 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2kgk h TYR 48 CO 0.00 0.60 -0.23 1.05 -1.64 0.00 0.00 178.16 177.94 2kgk h GLU 49 N -0.36 0.00 0.04 1.82 4.11 -1.05 0.38 114.58 119.53 2kgk h GLU 49 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.30 2kgk h GLU 49 Cb 0.58 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 2kgk h GLU 49 CO 0.01 0.23 -0.55 0.00 0.07 0.00 0.00 179.01 178.77 2kgk h ALA 50 N 1.77 0.01 0.11 1.06 0.00 -1.06 -3.34 119.26 117.83 2kgk h ALA 50 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2kgk h ALA 50 Cb 0.48 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kgk h ALA 50 CO 0.03 0.28 -0.05 0.82 0.00 0.00 0.00 179.25 180.33 2kgk h ILE 51 N -0.32 1.06 -3.58 0.00 2.04 -0.34 -3.44 117.51 112.94 2kgk h ILE 51 Ca -0.08 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2kgk h ILE 51 Cb 1.33 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2kgk h ILE 51 CO 0.11 0.18 -0.89 0.61 0.00 0.00 0.00 178.15 178.16 2kgk n GLY 52 N -0.19 -4.48 2.65 5.37 0.00 0.13 -4.95 105.19 103.73 2kgk n GLY 52 Ca -0.09 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 2kgk n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgk n ARG 53 N -1.22 -2.89 -1.91 1.61 1.74 -1.26 -5.02 116.66 107.71 2kgk n ARG 53 Ca 0.00 2.41 -0.29 0.00 -0.77 0.00 0.00 57.85 59.20 2kgk n ARG 53 Cb 0.09 -5.12 0.07 0.00 -1.02 0.00 0.00 32.46 26.48 2kgk n ARG 53 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kgk s PRO 54 N -1.80 2.29 -0.30 5.56 0.04 -1.26 -5.05 135.00 134.49 2kgk s PRO 54 Ca 0.07 0.22 -0.15 0.00 0.04 0.00 0.00 61.00 61.18 2kgk s PRO 54 Cb -0.02 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2kgk s PRO 54 CO 0.71 -1.38 0.37 -0.51 0.04 0.00 0.00 177.00 176.23 2kgk s LEU 55 N -5.49 4.17 0.00 -3.56 2.01 -1.26 -4.95 118.68 109.60 2kgk s LEU 55 Ca 0.61 0.10 -0.00 0.00 0.01 0.00 0.00 54.13 54.84 2kgk s LEU 55 Cb -0.11 -2.39 -0.01 0.00 0.01 0.00 0.00 46.19 43.69 2kgk s LEU 55 CO 0.50 -0.24 1.17 -0.81 1.01 0.00 0.00 176.35 177.97 2kgk n PRO 56 N 5.36 0.58 0.00 1.29 -0.04 -1.26 -2.20 135.00 138.73 2kgk n PRO 56 Ca -0.09 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2kgk n PRO 56 Cb 0.50 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2kgk n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgk n GLY 57 N 1.77 0.00 3.12 0.55 0.00 -1.26 -5.00 105.19 104.37 2kgk n GLY 57 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2kgk n GLY 57 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kgk s ARG 58 N -0.95 2.13 -0.52 1.61 1.70 -0.94 0.18 118.95 122.16 2kgk s ARG 58 Ca 0.00 -1.52 -0.05 0.00 -0.47 0.00 0.00 55.73 53.70 2kgk s ARG 58 Cb 0.00 -3.23 -0.18 0.00 -0.57 0.00 0.00 34.95 30.97 2kgk s ARG 58 CO 0.00 -0.77 1.49 0.54 -1.08 0.00 0.00 175.30 175.48 2kgk n ARG 59 N 4.52 0.00 -2.71 3.89 1.74 -1.05 -4.77 116.66 118.28 2kgk n ARG 59 Ca -0.08 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.58 2kgk n ARG 59 Cb 0.42 -0.89 -0.03 0.00 -1.02 0.00 0.00 32.46 30.95 2kgk n ARG 59 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2kgk s ASN 60 N 0.00 6.92 -0.10 0.55 4.22 -1.26 -0.27 114.94 125.00 2kgk s ASN 60 Ca 0.69 1.07 0.02 0.00 -2.14 0.00 0.00 52.86 52.49 2kgk s ASN 60 Cb -0.45 -2.51 0.02 0.00 1.28 0.00 0.00 41.25 39.59 2kgk s ASN 60 CO 0.30 -0.76 -0.14 -0.63 -2.04 0.00 0.00 177.10 173.83 2kgk s ILE 61 N 3.38 1.36 -0.07 0.54 1.01 0.18 -2.39 121.20 125.20 2kgk s ILE 61 Ca 0.42 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2kgk s ILE 61 Cb -0.13 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 2kgk s ILE 61 CO 0.12 0.41 -0.06 0.27 0.00 0.00 0.00 174.94 175.68 2kgk s ILE 62 N 0.98 3.79 -0.14 2.92 -4.36 0.54 -1.07 121.20 123.87 2kgk s ILE 62 Ca -0.07 -0.45 -0.15 0.00 -0.26 0.00 0.00 60.65 59.72 2kgk s ILE 62 Cb -0.15 -2.56 -0.05 0.00 1.25 0.00 0.00 42.46 40.96 2kgk s ILE 62 CO -0.01 0.60 0.36 -0.69 0.24 0.00 0.00 174.94 175.44 2kgk s VAL 63 N -0.81 5.25 -0.30 8.37 1.01 -0.91 -1.20 120.40 131.82 2kgk s VAL 63 Ca 0.12 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 2kgk s VAL 63 Cb -0.11 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.71 2kgk s VAL 63 CO 0.02 0.39 0.73 0.28 0.00 0.00 0.00 175.10 176.51 2kgk s THR 64 N 0.39 -0.70 -0.19 3.92 -1.32 -0.92 -3.31 115.64 113.50 2kgk s THR 64 Ca 0.20 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.39 2kgk s THR 64 Cb -0.14 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.85 2kgk s THR 64 CO 0.06 0.00 1.12 0.00 -2.21 0.00 0.00 174.62 173.60 2kgk s ARG 65 N 2.54 4.26 0.00 7.08 1.70 -1.26 -4.61 118.95 128.65 2kgk s ARG 65 Ca -0.06 1.48 0.00 0.00 -0.47 0.00 0.00 55.73 56.68 2kgk s ARG 65 Cb -0.09 -3.68 0.00 0.00 -0.57 0.00 0.00 34.95 30.61 2kgk s ARG 65 CO -0.19 -0.63 0.00 0.09 -1.08 0.00 0.00 175.30 173.49 2kgk n ASN 66 N 6.31 0.00 -4.65 -2.89 5.03 -1.26 -5.07 115.26 112.73 2kgk n ASN 66 Ca 0.12 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.15 2kgk n ASN 66 Cb 0.46 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.19 2kgk n ASN 66 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2kgk s GLU 67 N 0.00 4.12 0.00 3.52 4.04 -1.26 -2.29 118.70 126.83 2kgk s GLU 67 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 54.97 56.80 2kgk s GLU 67 Cb 0.00 -3.89 0.00 0.00 0.02 0.00 0.00 34.13 30.26 2kgk s GLU 67 CO 0.00 -0.88 0.00 0.41 -1.84 0.00 0.00 175.26 172.95 2kgk n GLY 68 N 4.00 0.81 3.73 -3.83 0.00 -1.26 -5.06 105.19 103.58 2kgk n GLY 68 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.11 3.42 -0.12 1.61 5.04 -0.97 -5.02 117.35 119.19 2kgk s TYR 69 Ca 0.00 1.36 -0.05 0.00 -2.44 0.00 0.00 57.07 55.94 2kgk s TYR 69 Cb 0.00 -3.44 0.06 0.00 0.35 0.00 0.00 41.96 38.92 2kgk s TYR 69 CO 0.00 -1.30 0.27 -3.38 -1.34 0.00 0.00 175.55 169.80 2kgk s HIS 70 N 0.28 -0.40 -0.24 4.97 -3.43 -1.26 -4.91 115.29 110.30 2kgk s HIS 70 Ca 0.55 0.92 0.00 0.00 -0.80 0.00 0.00 55.06 55.73 2kgk s HIS 70 Cb -0.32 0.04 0.04 0.00 -1.43 0.00 0.00 32.58 30.91 2kgk s HIS 70 CO 0.34 -0.29 -0.10 0.08 -2.00 0.00 0.00 174.74 172.77 2kgk s VAL 71 N 1.74 2.47 -0.26 -5.38 1.01 -1.26 -5.08 120.40 113.66 2kgk s VAL 71 Ca -0.05 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 2kgk s VAL 71 Cb -0.11 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2kgk s VAL 71 CO -0.09 0.17 1.62 -1.61 0.00 0.00 0.00 175.10 175.20 2kgk s GLU 72 N 1.24 3.70 0.00 2.72 2.02 -1.26 -2.16 118.70 124.96 2kgk s GLU 72 Ca -0.02 1.56 0.00 0.00 0.02 0.00 0.00 54.97 56.52 2kgk s GLU 72 Cb -0.17 -4.06 0.00 0.00 0.10 0.00 0.00 34.13 30.00 2kgk s GLU 72 CO -0.06 -1.41 0.00 0.41 0.02 0.00 0.00 175.26 174.22 2kgk n GLY 73 N 4.82 1.85 3.13 -1.39 0.00 -1.26 -5.09 105.19 107.25 2kgk n GLY 73 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.13 4.39 0.24 0.00 0.41 -1.00 -4.35 118.70 116.24 2kgk s GLU 75 Ca -0.09 0.75 -0.12 0.00 -0.41 0.00 0.00 54.97 55.10 2kgk s GLU 75 Cb -0.04 -3.41 -0.08 0.00 -1.78 0.00 0.00 34.13 28.83 2kgk s GLU 75 CO -0.02 0.18 0.60 0.54 -0.49 0.00 0.00 175.26 176.06 2kgk s VAL 76 N 0.46 4.85 0.19 2.63 0.11 -1.26 -0.34 120.40 127.04 2kgk s VAL 76 Ca 0.33 0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 60.03 2kgk s VAL 76 Cb -0.17 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 2kgk s VAL 76 CO 0.16 -0.03 0.14 0.00 -3.33 0.00 0.00 175.10 172.04 2kgk s ALA 77 N -1.78 1.01 0.88 1.54 0.00 -0.34 -4.88 121.76 118.19 2kgk s ALA 77 Ca 0.47 -1.60 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 2kgk s ALA 77 Cb -0.12 1.28 0.19 0.00 0.00 0.00 0.00 23.12 24.47 2kgk s ALA 77 CO 0.20 -0.59 1.20 -1.01 0.00 0.00 0.00 175.76 175.56 2kgk s HIS 78 N -4.13 1.26 0.81 0.00 3.76 -1.26 -2.17 115.29 113.55 2kgk s HIS 78 Ca 0.35 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 55.06 2kgk s HIS 78 Cb 0.07 -3.65 0.19 0.00 1.11 0.00 0.00 32.58 30.30 2kgk s HIS 78 CO 0.10 -2.38 0.42 0.45 -0.85 0.00 0.00 174.74 172.48 2kgk n SER 79 N -3.40 -2.90 0.32 1.40 2.88 -1.26 -4.40 113.62 106.26 2kgk n SER 79 Ca 0.17 -0.43 0.20 0.00 -1.33 0.00 0.00 58.87 57.48 2kgk n SER 79 Cb 0.60 -0.58 1.10 0.00 -0.75 0.00 0.00 64.21 64.59 2kgk n SER 79 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2kgk h VAL 80 N -2.72 0.21 -0.81 2.46 3.04 -1.98 -1.56 116.25 114.88 2kgk h VAL 80 Ca -0.19 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.52 2kgk h VAL 80 Cb 0.65 0.99 -0.04 0.00 -2.01 0.00 0.00 31.29 30.88 2kgk h VAL 80 CO 0.12 0.00 0.53 -0.33 -1.01 0.00 0.00 177.57 176.88 2kgk h GLU 81 N 0.00 1.03 0.15 4.17 5.08 -2.00 0.28 114.58 123.29 2kgk h GLU 81 Ca 0.00 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 2kgk h GLU 81 Cb 0.01 -0.23 0.02 0.00 0.50 0.00 0.00 28.75 29.06 2kgk h GLU 81 CO -0.00 0.68 -0.91 1.49 -1.00 0.00 0.00 179.01 179.27 2kgk h GLU 82 N 1.06 0.35 -0.42 2.33 4.57 -1.56 -3.30 114.58 117.60 2kgk h GLU 82 Ca 0.31 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2kgk h GLU 82 Cb -0.07 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2kgk h GLU 82 CO -0.09 1.27 0.26 0.28 -1.18 0.00 0.00 179.01 179.55 2kgk h VAL 83 N -0.27 1.12 -0.20 0.32 2.07 -1.29 -1.76 116.25 116.23 2kgk h VAL 83 Ca -0.16 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.17 2kgk h VAL 83 Cb 1.71 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 2kgk h VAL 83 CO 0.17 0.12 -0.30 0.15 0.02 0.00 0.00 177.57 177.73 2kgk h PHE 84 N 0.57 -0.82 -0.09 1.57 3.57 -0.52 -0.22 116.94 121.01 2kgk h PHE 84 Ca 0.15 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2kgk h PHE 84 Cb -0.04 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2kgk h PHE 84 CO 0.00 -0.37 -0.19 1.05 -2.23 0.00 0.00 178.31 176.57 2kgk h GLU 85 N -0.33 0.28 -1.06 1.11 4.11 -1.63 -3.10 114.58 113.97 2kgk h GLU 85 Ca 0.12 -0.19 0.30 0.00 0.07 0.00 0.00 59.36 59.66 2kgk h GLU 85 Cb 0.52 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2kgk h GLU 85 CO -0.39 0.79 0.74 -0.07 0.07 0.00 0.00 179.01 180.15 2kgk h LEU 86 N -0.18 0.10 -0.38 3.06 -0.00 -1.06 0.57 115.31 117.41 2kgk h LEU 86 Ca 0.00 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.96 2kgk h LEU 86 Cb 0.78 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.39 2kgk h LEU 86 CO 0.04 0.02 0.04 0.00 -0.00 0.00 0.00 178.44 178.54 2kgk n LYS 88 N -5.14 0.04 0.24 0.00 2.85 0.19 -1.95 118.16 114.38 2kgk n LYS 88 Ca 0.02 0.30 0.16 0.00 -1.05 0.00 0.00 58.31 57.74 2kgk n LYS 88 Cb 0.19 -1.50 0.68 0.00 -0.65 0.00 0.00 35.03 33.75 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 -3.50 -5.58 -0.73 -0.37 -3.42 115.58 101.98 2kgk h ASN 89 Ca 0.00 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.91 2kgk h ASN 89 Cb 0.14 0.00 -0.32 0.00 0.27 0.00 0.00 38.32 38.41 2kgk h ASN 89 CO 0.00 0.00 -0.64 -1.61 -0.37 0.00 0.00 177.43 174.81 2kgk s GLU 90 N -3.61 0.05 0.00 6.67 0.41 -0.82 -5.09 118.70 116.30 2kgk s GLU 90 Ca 0.01 0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.86 2kgk s GLU 90 Cb 0.09 -0.18 0.00 0.00 -1.78 0.00 0.00 34.13 32.26 2kgk s GLU 90 CO 0.47 -0.15 0.35 -0.85 -0.49 0.00 0.00 175.26 174.59 2kgk n GLU 91 N 4.07 0.00 -3.10 1.61 0.00 -1.26 -4.35 120.64 117.61 2kgk n GLU 91 Ca -0.25 0.23 -0.41 0.00 0.00 0.00 0.00 57.16 56.72 2kgk n GLU 91 Cb 0.52 -0.85 -0.06 0.00 0.00 0.00 0.00 31.44 31.05 2kgk n GLU 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2kgk s GLU 92 N -0.69 4.03 0.19 3.44 1.03 -1.25 -2.06 118.70 123.39 2kgk s GLU 92 Ca 0.00 0.47 0.08 0.00 0.03 0.00 0.00 54.97 55.55 2kgk s GLU 92 Cb 0.00 -3.68 -0.05 0.00 -0.80 0.00 0.00 34.13 29.60 2kgk s GLU 92 CO 0.00 -0.48 -0.15 0.96 -1.33 0.00 0.00 175.26 174.26 2kgk s ILE 93 N 2.57 1.72 -0.13 1.83 -4.36 -0.83 -4.78 121.20 117.21 2kgk s ILE 93 Ca 0.26 -2.13 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 2kgk s ILE 93 Cb -0.15 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.58 2kgk s ILE 93 CO 0.10 -0.54 -0.19 -0.36 0.24 0.00 0.00 174.94 174.18 2kgk s PHE 94 N -2.77 2.69 -0.09 1.37 0.40 -0.83 -0.56 117.98 118.19 2kgk s PHE 94 Ca 0.20 -1.11 -0.02 0.00 -0.60 0.00 0.00 56.93 55.40 2kgk s PHE 94 Cb -0.02 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 2kgk s PHE 94 CO 0.06 -0.48 0.01 0.42 0.70 0.00 0.00 175.22 175.93 2kgk s ILE 95 N 0.66 4.40 -0.00 0.64 -1.09 0.12 -2.47 121.20 123.44 2kgk s ILE 95 Ca -0.10 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 2kgk s ILE 95 Cb -0.16 -2.86 0.01 0.00 -1.58 0.00 0.00 42.46 37.87 2kgk s ILE 95 CO 0.02 0.60 0.65 0.33 -1.23 0.00 0.00 174.94 175.31 2kgk n PHE 96 N 2.24 0.00 0.00 3.97 7.35 0.21 -1.66 117.46 129.57 2kgk n PHE 96 Ca -0.19 -0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.39 2kgk n PHE 96 Cb 0.54 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.35 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 -0.12 -0.12 0.00 7.13 0.00 0.33 -4.22 105.19 108.19 2kgk n GLY 97 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.05 -1.04 0.35 -0.02 0.00 -1.26 -2.44 105.19 100.73 2kgk n GLY 98 Ca 0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.09 -0.63 4.61 0.00 -1.98 0.18 119.26 120.35 2kgk h ALA 99 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kgk h ALA 99 Cb 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2kgk h ALA 99 CO 0.00 -1.09 0.39 -0.56 0.00 0.00 0.00 179.25 177.99 2kgk h GLN 100 N -0.76 0.85 -0.38 0.00 3.07 -2.00 -2.25 115.11 113.64 2kgk h GLN 100 Ca -0.06 -0.07 0.03 0.00 0.09 0.00 0.00 58.65 58.64 2kgk h GLN 100 Cb 0.63 -0.18 -0.03 0.00 0.08 0.00 0.00 27.48 27.98 2kgk h GLN 100 CO 0.01 0.60 0.18 0.82 0.09 0.00 0.00 178.83 180.53 2kgk h ILE 101 N 0.86 0.96 0.00 1.86 1.08 -1.89 -1.40 117.51 118.98 2kgk h ILE 101 Ca 0.23 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.54 2kgk h ILE 101 Cb -0.04 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2kgk h ILE 101 CO -0.04 0.07 -0.15 0.22 -0.69 0.00 0.00 178.15 177.55 2kgk h TYR 102 N 0.37 0.00 0.60 1.37 3.20 -0.39 -0.81 116.97 121.31 2kgk h TYR 102 Ca 0.17 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2kgk h TYR 102 Cb 0.09 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.36 2kgk h TYR 102 CO -0.11 0.15 -0.29 0.22 -1.64 0.00 0.00 178.16 176.50 2kgk h ASP 103 N 0.00 -0.68 1.28 -2.11 1.82 -0.66 -2.24 116.42 113.83 2kgk h ASP 103 Ca -0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2kgk h ASP 103 Cb 0.29 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2kgk h ASP 103 CO 0.02 -0.43 0.00 0.17 -1.61 0.00 0.00 179.24 177.38 2kgk h LEU 104 N -0.88 0.00 -0.52 2.28 8.10 -1.35 -2.72 115.31 120.22 2kgk h LEU 104 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.91 2kgk h LEU 104 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 2kgk h LEU 104 CO 0.13 0.00 0.00 0.49 -4.11 0.00 0.00 178.44 174.95 2kgk n PHE 105 N -2.93 0.04 -0.21 0.17 3.01 -0.32 -4.26 117.46 112.96 2kgk n PHE 105 Ca 0.02 -0.02 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 2kgk n PHE 105 Cb 0.37 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.85 2kgk n PHE 105 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2kgk h LEU 106 N 1.18 -1.07 0.00 4.37 4.07 -1.08 0.38 115.31 123.16 2kgk h LEU 106 Ca 0.00 0.22 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2kgk h LEU 106 Cb 0.25 0.55 0.00 0.00 1.08 0.00 0.00 40.66 42.55 2kgk h LEU 106 CO 0.00 -0.29 0.00 -0.81 -1.08 0.00 0.00 178.44 176.26 2kgk n PRO 107 N -5.44 0.06 -0.05 1.13 -0.04 -1.26 -2.76 135.00 126.65 2kgk n PRO 107 Ca 0.05 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2kgk n PRO 107 Cb 0.36 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.46 0.13 -4.47 0.54 4.01 0.10 -4.97 117.16 111.05 2kgk n TYR 108 Ca 0.06 -0.12 -0.31 0.00 -0.16 0.00 0.00 57.90 57.37 2kgk n TYR 108 Cb 0.23 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.14 2kgk n TYR 108 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2kgk s VAL 109 N -1.08 3.30 -0.10 -0.72 1.01 0.48 -4.86 120.40 118.41 2kgk s VAL 109 Ca 0.18 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 2kgk s VAL 109 Cb 0.12 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 2kgk s VAL 109 CO 0.17 0.30 -0.17 0.47 0.00 0.00 0.00 175.10 175.88 2kgk n ASP 110 N 1.34 1.09 -4.52 3.32 9.92 -0.98 -4.85 116.55 121.86 2kgk n ASP 110 Ca -0.15 0.18 -0.33 0.00 -0.53 0.00 0.00 54.79 53.95 2kgk n ASP 110 Cb 0.52 -0.43 -0.12 0.00 -0.64 0.00 0.00 41.12 40.45 2kgk n ASP 110 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kgk s LYS 111 N -2.29 2.84 -0.09 -1.24 -0.14 0.62 -1.60 119.74 117.84 2kgk s LYS 111 Ca -0.17 -0.60 0.02 0.00 -1.36 0.00 0.00 55.97 53.86 2kgk s LYS 111 Cb 0.06 -2.56 0.01 0.00 -1.68 0.00 0.00 37.83 33.65 2kgk s LYS 111 CO 0.22 0.56 -0.16 -0.51 -0.76 0.00 0.00 175.35 174.70 2kgk s LEU 112 N -0.53 1.79 -0.34 3.17 1.43 0.16 -1.02 118.68 123.33 2kgk s LEU 112 Ca 0.08 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2kgk s LEU 112 Cb -0.12 -1.08 0.10 0.00 0.03 0.00 0.00 46.19 45.13 2kgk s LEU 112 CO 0.02 0.06 0.10 -0.31 0.23 0.00 0.00 176.35 176.44 2kgk s TYR 113 N 0.71 2.65 -0.07 0.29 2.02 0.21 0.01 117.35 123.17 2kgk s TYR 113 Ca -0.12 -2.38 0.01 0.00 -0.37 0.00 0.00 57.07 54.21 2kgk s TYR 113 Cb -0.16 -2.28 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 2kgk s TYR 113 CO 0.03 -0.90 -0.09 0.42 -1.57 0.00 0.00 175.55 173.44 2kgk s ILE 114 N 1.14 3.51 -0.12 2.71 1.09 -1.02 -2.37 121.20 126.15 2kgk s ILE 114 Ca 0.11 -0.54 -0.01 0.00 -1.10 0.00 0.00 60.65 59.10 2kgk s ILE 114 Cb -0.19 -2.43 -0.03 0.00 -1.06 0.00 0.00 42.46 38.76 2kgk s ILE 114 CO -0.15 0.59 -0.07 0.28 -0.10 0.00 0.00 174.94 175.48 2kgk s THR 115 N -0.64 3.61 -0.24 2.92 -1.32 -0.95 -1.29 115.64 117.72 2kgk s THR 115 Ca 0.09 -0.48 -0.18 0.00 -1.21 0.00 0.00 61.69 59.92 2kgk s THR 115 Cb -0.11 -2.53 -0.03 0.00 -1.51 0.00 0.00 72.50 68.32 2kgk s THR 115 CO 0.02 0.54 0.51 -0.54 -2.21 0.00 0.00 174.62 172.93 2kgk s LYS 116 N -0.04 4.10 -0.07 7.08 -0.14 -0.67 -0.89 119.74 129.11 2kgk s LYS 116 Ca -0.00 0.33 0.02 0.00 -1.36 0.00 0.00 55.97 54.95 2kgk s LYS 116 Cb -0.13 -3.63 -0.03 0.00 -1.68 0.00 0.00 37.83 32.36 2kgk s LYS 116 CO 0.03 -0.29 -0.10 0.42 -0.76 0.00 0.00 175.35 174.65 2kgk s ILE 117 N 2.10 3.39 -1.09 2.17 1.01 -0.56 -0.29 121.20 127.93 2kgk s ILE 117 Ca 0.22 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2kgk s ILE 117 Cb -0.16 -2.37 0.26 0.00 0.01 0.00 0.00 42.46 40.20 2kgk s ILE 117 CO 0.09 0.58 2.01 1.41 0.00 0.00 0.00 174.94 179.04 2kgk n HIS 118 N 2.47 2.71 -3.21 3.97 8.25 -1.04 -2.71 115.22 125.66 2kgk n HIS 118 Ca -0.18 -2.61 0.04 0.00 -0.26 0.00 0.00 57.72 54.72 2kgk n HIS 118 Cb 0.53 -1.38 -0.02 0.00 1.12 0.00 0.00 29.99 30.24 2kgk n HIS 118 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kgk s HIS 119 N -3.41 -0.57 -0.24 4.41 4.02 -1.26 -4.82 115.29 113.44 2kgk s HIS 119 Ca 0.44 0.71 -0.27 0.00 1.02 0.00 0.00 55.06 56.96 2kgk s HIS 119 Cb 0.21 0.24 0.13 0.00 -1.02 0.00 0.00 32.58 32.13 2kgk s HIS 119 CO -0.14 -0.30 1.05 0.00 1.02 0.00 0.00 174.74 176.37 2kgk s ALA 120 N 2.75 -1.98 -0.22 -1.40 0.00 -1.26 -4.74 121.76 114.91 2kgk s ALA 120 Ca -0.00 1.75 -0.17 0.00 0.00 0.00 0.00 51.96 53.54 2kgk s ALA 120 Cb -0.09 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 21.91 2kgk s ALA 120 CO -0.13 -0.26 0.57 0.12 0.00 0.00 0.00 175.76 176.06 2kgk s PHE 121 N -0.33 -0.73 0.00 0.00 5.36 -1.26 -4.70 117.98 116.32 2kgk s PHE 121 Ca 0.02 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 2kgk s PHE 121 Cb -0.03 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 2kgk s PHE 121 CO -0.04 -0.37 0.00 0.39 -1.46 0.00 0.00 175.22 173.75 2kgk n GLU 122 N 3.44 -0.84 -2.02 10.12 1.02 -1.26 -4.64 120.64 126.46 2kgk n GLU 122 Ca -0.17 0.90 -0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2kgk n GLU 122 Cb 0.57 -0.69 -0.00 0.00 -0.02 0.00 0.00 31.44 31.29 2kgk n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kgk n GLY 123 N 1.97 4.15 0.01 0.62 0.00 -1.03 -4.17 105.19 106.74 2kgk n GLY 123 Ca 0.00 -2.06 0.07 0.00 0.00 0.00 0.00 46.02 44.03 2kgk n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kgk n ASP 124 N -1.54 1.84 -3.74 1.61 2.03 -0.10 -4.86 116.55 111.79 2kgk n ASP 124 Ca -0.00 -0.03 -0.28 0.00 0.52 0.00 0.00 54.79 55.00 2kgk n ASP 124 Cb 0.01 1.60 -0.16 0.00 -0.72 0.00 0.00 41.12 41.84 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 -2.92 0.56 0.14 5.18 2.01 -0.93 -4.95 115.64 114.73 2kgk s THR 125 Ca -0.05 -0.60 0.10 0.00 0.31 0.00 0.00 61.69 61.46 2kgk s THR 125 Cb 0.09 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2kgk s THR 125 CO 0.56 -0.22 -0.21 0.72 -0.69 0.00 0.00 174.62 174.78 2kgk s PHE 126 N 1.84 2.43 -0.22 4.92 -0.12 -1.26 -2.15 117.98 123.42 2kgk s PHE 126 Ca -0.01 -0.32 -0.10 0.00 -0.05 0.00 0.00 56.93 56.46 2kgk s PHE 126 Cb -0.17 -1.26 -0.05 0.00 -0.63 0.00 0.00 43.02 40.91 2kgk s PHE 126 CO -0.08 0.41 0.13 0.12 -0.05 0.00 0.00 175.22 175.75 2kgk s PHE 127 N -1.30 3.34 0.00 3.49 5.36 -1.05 -4.71 117.98 123.11 2kgk s PHE 127 Ca 0.18 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.39 2kgk s PHE 127 Cb -0.10 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 2kgk s PHE 127 CO 0.09 0.16 0.00 -0.35 -1.46 0.00 0.00 175.22 173.66 2kgk n PRO 128 N 3.90 0.43 -2.86 10.12 -0.04 -1.26 -4.86 135.00 140.42 2kgk n PRO 128 Ca -0.16 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.87 2kgk n PRO 128 Cb 0.52 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.99 2kgk n PRO 128 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kgk n GLU 129 N -0.42 4.24 -2.90 0.54 0.28 -1.26 -4.77 120.64 116.35 2kgk n GLU 129 Ca 0.00 -4.31 -0.23 0.00 -0.16 0.00 0.00 57.16 52.46 2kgk n GLU 129 Cb 0.00 -2.61 -0.02 0.00 1.43 0.00 0.00 31.44 30.23 2kgk n GLU 129 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2kgk n MET 130 N 2.01 2.54 -1.93 3.44 2.81 -1.26 -5.06 117.12 119.68 2kgk n MET 130 Ca 0.29 -4.30 -0.43 0.00 -1.81 0.00 0.00 57.70 51.45 2kgk n MET 130 Cb 0.34 -2.03 -0.03 0.00 -0.71 0.00 0.00 33.22 30.80 2kgk n MET 130 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2kgk s ASP 131 N -3.20 5.84 -0.02 7.83 2.15 -1.26 -4.60 116.67 123.40 2kgk s ASP 131 Ca 0.45 1.45 0.01 0.00 0.43 0.00 0.00 52.55 54.88 2kgk s ASP 131 Cb 0.33 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.46 2kgk s ASP 131 CO -0.12 -1.73 0.48 1.15 -0.17 0.00 0.00 175.17 174.79 2kgk n MET 132 N 8.45 0.09 -0.24 4.34 0.00 -1.26 -5.02 117.12 123.48 2kgk n MET 132 Ca 0.24 -0.10 0.02 0.00 0.00 0.00 0.00 57.70 57.86 2kgk n MET 132 Cb 0.46 0.14 0.10 0.00 0.00 0.00 0.00 33.22 33.92 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 0.37 0.32 -5.42 3.17 1.03 -2.07 -3.45 112.91 106.85 2kgk h THR 133 Ca -0.04 -0.01 -0.28 0.00 -0.01 0.00 0.00 66.41 66.07 2kgk h THR 133 Cb 0.93 0.28 0.18 0.00 -1.07 0.00 0.00 68.15 68.47 2kgk h THR 133 CO -0.02 0.01 -0.78 0.59 -0.01 0.00 0.00 175.52 175.31 2kgk n ASN 134 N -5.43 -4.13 -4.62 0.00 4.13 -1.26 -5.03 115.26 98.93 2kgk n ASN 134 Ca 0.11 -0.63 -0.26 0.00 1.68 0.00 0.00 54.58 55.47 2kgk n ASN 134 Cb 0.40 -4.97 -0.10 0.00 -1.54 0.00 0.00 39.78 33.57 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 -3.36 2.50 -0.36 3.10 0.52 -1.26 -5.11 118.94 114.97 2kgk s TRP 135 Ca 0.21 -0.54 -0.18 0.00 0.02 0.00 0.00 56.10 55.61 2kgk s TRP 135 Cb -0.03 -1.60 0.00 0.00 -1.15 0.00 0.00 33.47 30.69 2kgk s TRP 135 CO 0.70 0.46 0.50 0.15 0.02 0.00 0.00 176.95 178.79 2kgk s LYS 136 N -3.71 3.53 -0.26 4.98 -0.14 -1.19 -4.98 119.74 117.97 2kgk s LYS 136 Ca 0.35 -0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 54.40 2kgk s LYS 136 Cb 0.04 -3.84 -0.00 0.00 -1.68 0.00 0.00 37.83 32.35 2kgk s LYS 136 CO 0.19 -0.68 1.26 -1.83 -0.76 0.00 0.00 175.35 173.52 2kgk s GLU 137 N 2.36 4.03 -0.22 1.68 -1.05 -1.26 -2.36 118.70 121.88 2kgk s GLU 137 Ca 0.18 1.35 0.07 0.00 -0.15 0.00 0.00 54.97 56.41 2kgk s GLU 137 Cb -0.16 -3.82 -0.18 0.00 -0.44 0.00 0.00 34.13 29.53 2kgk s GLU 137 CO 0.14 -0.96 -0.12 0.28 0.95 0.00 0.00 175.26 175.54 2kgk n VAL 138 N 5.91 1.32 -3.48 1.83 0.31 -0.98 -5.02 118.33 118.20 2kgk n VAL 138 Ca 0.14 -0.60 -0.15 0.00 -0.01 0.00 0.00 64.34 63.72 2kgk n VAL 138 Cb 0.46 -1.07 -0.04 0.00 -0.91 0.00 0.00 33.84 32.28 2kgk n VAL 138 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2kgk s PHE 139 N -2.46 -0.58 -0.19 3.52 2.19 -1.23 -5.05 117.98 114.18 2kgk s PHE 139 Ca -0.24 0.75 -0.04 0.00 0.33 0.00 0.00 56.93 57.72 2kgk s PHE 139 Cb 0.07 0.48 0.09 0.00 -1.31 0.00 0.00 43.02 42.35 2kgk s PHE 139 CO 0.61 -0.68 0.30 0.54 1.83 0.00 0.00 175.22 177.82 2kgk s VAL 140 N -2.26 -0.47 0.25 3.12 0.11 -1.26 -0.41 120.40 119.48 2kgk s VAL 140 Ca -0.05 0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 2kgk s VAL 140 Cb -0.00 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2kgk s VAL 140 CO -0.00 -0.04 0.13 -0.70 -3.33 0.00 0.00 175.10 171.15 2kgk s GLU 141 N 2.45 2.72 0.57 1.54 2.12 0.59 -4.96 118.70 123.73 2kgk s GLU 141 Ca 0.06 -1.15 0.09 0.00 0.36 0.00 0.00 54.97 54.32 2kgk s GLU 141 Cb -0.14 -2.44 0.09 0.00 0.26 0.00 0.00 34.13 31.90 2kgk s GLU 141 CO -0.12 0.40 0.77 0.36 -0.54 0.00 0.00 175.26 176.13 2kgk n LYS 142 N -1.01 0.61 -4.54 4.30 0.00 -1.26 0.19 118.16 116.45 2kgk n LYS 142 Ca -0.08 -3.10 -0.26 0.00 -0.00 0.00 0.00 58.31 54.88 2kgk n LYS 142 Cb 0.58 -0.21 -0.08 0.00 -0.00 0.00 0.00 35.03 35.32 2kgk n LYS 142 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2kgk s GLY 143 N -4.57 2.61 0.20 2.58 0.00 0.16 -4.49 107.32 103.81 2kgk s GLY 143 Ca 0.59 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 2kgk s GLY 143 CO 0.37 -1.88 0.15 -2.27 0.00 0.00 0.00 173.10 169.47 2kgk s LEU 144 N -3.63 1.11 -0.15 0.66 2.96 -1.26 -4.60 118.68 113.76 2kgk s LEU 144 Ca 0.23 -1.35 -0.09 0.00 -0.22 0.00 0.00 54.13 52.70 2kgk s LEU 144 Cb 0.03 0.48 -0.05 0.00 0.50 0.00 0.00 46.19 47.16 2kgk s LEU 144 CO 0.13 -0.86 0.16 0.28 -1.32 0.00 0.00 176.35 174.74 2kgk s THR 145 N -4.14 5.43 0.54 3.68 -1.32 -1.19 -4.65 115.64 113.98 2kgk s THR 145 Ca 0.37 0.26 0.07 0.00 -1.21 0.00 0.00 61.69 61.18 2kgk s THR 145 Cb 0.06 -3.46 0.05 0.00 -1.51 0.00 0.00 72.50 67.64 2kgk s THR 145 CO 0.11 0.52 0.52 -1.81 -2.21 0.00 0.00 174.62 171.76 2kgk s ASP 146 N -0.31 4.83 0.09 8.08 1.11 -0.74 -4.90 116.67 124.83 2kgk s ASP 146 Ca 0.13 -1.07 -0.10 0.00 0.18 0.00 0.00 52.55 51.69 2kgk s ASP 146 Cb -0.12 0.27 -0.20 0.00 1.07 0.00 0.00 42.92 43.95 2kgk s ASP 146 CO 0.02 -1.13 1.21 1.05 1.18 0.00 0.00 175.17 177.50 2kgk h GLU 147 N 0.60 0.55 0.00 8.23 4.11 -2.00 -2.94 114.58 123.12 2kgk h GLU 147 Ca -0.35 -0.64 -0.06 0.00 0.07 0.00 0.00 59.36 58.38 2kgk h GLU 147 Cb 1.29 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2kgk h GLU 147 CO 0.52 1.25 -0.94 1.57 0.07 0.00 0.00 179.01 181.48 2kgk h LYS 148 N 0.29 0.00 -2.51 1.06 -0.00 -2.04 -3.40 116.57 109.97 2kgk h LYS 148 Ca -0.12 0.00 -0.60 0.00 -0.00 0.00 0.00 60.65 59.93 2kgk h LYS 148 Cb 1.72 0.00 -0.40 0.00 -0.00 0.00 0.00 32.23 33.55 2kgk h LYS 148 CO 0.20 0.13 -0.80 0.09 -0.00 0.00 0.00 179.45 179.07 2kgk n ASN 149 N -2.85 1.49 -4.57 7.07 3.02 -1.23 -5.05 115.26 113.14 2kgk n ASN 149 Ca -0.02 -2.88 -0.30 0.00 -0.03 0.00 0.00 54.58 51.35 2kgk n ASN 149 Cb 0.65 -0.65 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 2kgk n ASN 149 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kgk s PRO 150 N -1.08 2.74 0.05 3.52 0.04 -1.11 -1.80 135.00 137.37 2kgk s PRO 150 Ca 0.32 -0.92 -0.19 0.00 0.04 0.00 0.00 61.00 60.25 2kgk s PRO 150 Cb 0.05 -5.21 0.04 0.00 0.04 0.00 0.00 34.50 29.42 2kgk s PRO 150 CO -0.14 -3.46 0.44 0.71 0.04 0.00 0.00 177.00 174.58 2kgk s TYR 151 N 9.56 -0.30 -0.17 0.56 2.02 -1.26 -4.95 117.35 122.81 2kgk s TYR 151 Ca 0.66 0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 57.60 2kgk s TYR 151 Cb -0.02 0.25 -0.00 0.00 -0.40 0.00 0.00 41.96 41.79 2kgk s TYR 151 CO 0.06 -0.60 -0.13 0.99 -1.57 0.00 0.00 175.55 174.29 2kgk s THR 152 N -2.60 2.79 0.27 -0.71 2.01 -1.26 -3.17 115.64 112.97 2kgk s THR 152 Ca -0.04 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.24 2kgk s THR 152 Cb -0.01 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 2kgk s THR 152 CO -0.03 0.50 0.27 -0.72 -0.69 0.00 0.00 174.62 173.95 2kgk s TYR 153 N 0.93 1.26 0.28 4.92 -0.85 -1.26 -2.49 117.35 120.13 2kgk s TYR 153 Ca -0.03 -1.39 0.03 0.00 -0.52 0.00 0.00 57.07 55.16 2kgk s TYR 153 Cb -0.15 -0.45 -0.06 0.00 0.38 0.00 0.00 41.96 41.68 2kgk s TYR 153 CO -0.01 -0.84 0.06 0.71 -1.52 0.00 0.00 175.55 173.95 2kgk s TYR 154 N -3.72 1.71 -0.07 -3.49 2.02 0.60 0.39 117.35 114.79 2kgk s TYR 154 Ca 0.36 -1.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 2kgk s TYR 154 Cb 0.03 -1.05 0.01 0.00 -0.40 0.00 0.00 41.96 40.55 2kgk s TYR 154 CO 0.18 -0.14 -0.16 0.71 -1.57 0.00 0.00 175.55 174.57 2kgk s TYR 155 N -3.50 1.80 -0.04 2.71 2.02 0.51 -1.67 117.35 119.18 2kgk s TYR 155 Ca 0.35 -0.67 0.06 0.00 -0.37 0.00 0.00 57.07 56.45 2kgk s TYR 155 Cb 0.08 -1.26 -0.01 0.00 -0.40 0.00 0.00 41.96 40.37 2kgk s TYR 155 CO 0.13 -0.29 -0.22 -1.01 -1.57 0.00 0.00 175.55 172.58 2kgk s HIS 156 N 0.46 2.12 -0.24 2.71 3.76 -0.41 -0.30 115.29 123.39 2kgk s HIS 156 Ca -0.14 -0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 54.23 2kgk s HIS 156 Cb -0.16 -1.39 0.03 0.00 1.11 0.00 0.00 32.58 32.17 2kgk s HIS 156 CO 0.05 -0.13 -0.08 0.08 -0.85 0.00 0.00 174.74 173.82 2kgk s VAL 157 N -0.29 2.79 0.01 -0.90 1.01 0.45 -2.44 120.40 121.03 2kgk s VAL 157 Ca 0.02 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.05 2kgk s VAL 157 Cb -0.11 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2kgk s VAL 157 CO 0.01 0.23 -0.21 -0.31 0.00 0.00 0.00 175.10 174.82 2kgk s TYR 158 N 1.32 2.47 0.07 5.22 2.02 0.10 -2.33 117.35 126.22 2kgk s TYR 158 Ca 0.00 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 2kgk s TYR 158 Cb -0.16 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.87 2kgk s TYR 158 CO -0.05 0.13 -0.07 -1.83 -1.57 0.00 0.00 175.55 172.16 2kgk s GLU 159 N -1.02 0.69 0.30 -0.62 -1.05 -1.00 0.37 118.70 116.38 2kgk s GLU 159 Ca 0.12 -1.07 0.09 0.00 -0.15 0.00 0.00 54.97 53.96 2kgk s GLU 159 Cb -0.10 -0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.31 2kgk s GLU 159 CO 0.02 0.01 0.07 0.15 0.95 0.00 0.00 175.26 176.46 2kgk s LYS 160 N -2.79 2.35 -0.11 -4.83 -0.14 -0.63 -3.16 119.74 110.42 2kgk s LYS 160 Ca 0.02 -1.48 -0.07 0.00 -1.36 0.00 0.00 55.97 53.08 2kgk s LYS 160 Cb -0.02 -2.17 -0.27 0.00 -1.68 0.00 0.00 37.83 33.69 2kgk s LYS 160 CO -0.02 0.24 0.39 1.96 -0.76 0.00 0.00 175.35 177.16 2kgk h GLN 161 N 1.71 0.28 0.00 1.68 1.08 -1.96 -3.48 115.11 114.41 2kgk h GLN 161 Ca -0.44 -0.47 0.00 0.00 -1.45 0.00 0.00 58.65 56.29 2kgk h GLN 161 Cb 1.25 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 2kgk h GLN 161 CO 0.62 1.23 0.00 1.04 -0.95 0.00 0.00 178.83 180.77