#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 4.31 -0.35 2.02 1.01 -0.39 -4.94 121.20 122.86 2kgk s ILE 2 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2kgk s ILE 2 Cb 0.00 -3.13 0.09 0.00 0.01 0.00 0.00 42.46 39.43 2kgk s ILE 2 CO 0.00 0.18 0.09 -0.69 0.00 0.00 0.00 174.94 174.52 2kgk s VAL 3 N 1.58 2.81 0.18 2.92 1.01 -1.26 -2.40 120.40 125.24 2kgk s VAL 3 Ca 0.05 -1.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.03 2kgk s VAL 3 Cb -0.16 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2kgk s VAL 3 CO 0.04 -0.48 0.39 -0.44 0.00 0.00 0.00 175.10 174.61 2kgk s SER 4 N 1.35 6.44 -0.07 3.32 0.01 -0.93 -0.18 113.70 123.64 2kgk s SER 4 Ca 0.05 0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.83 2kgk s SER 4 Cb -0.21 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 63.98 2kgk s SER 4 CO -0.05 -0.00 -0.09 -0.36 0.41 0.00 0.00 173.24 173.15 2kgk s PHE 5 N -1.77 1.23 -0.36 2.43 0.40 -0.29 -1.31 117.98 118.30 2kgk s PHE 5 Ca 0.40 -0.47 -0.09 0.00 -0.60 0.00 0.00 56.93 56.17 2kgk s PHE 5 Cb -0.12 -0.98 0.04 0.00 0.51 0.00 0.00 43.02 42.47 2kgk s PHE 5 CO 0.27 -0.30 0.17 1.41 0.70 0.00 0.00 175.22 177.46 2kgk s MET 6 N 1.01 2.72 0.03 0.44 1.75 -1.01 -0.20 119.30 124.04 2kgk s MET 6 Ca -0.09 -1.15 0.03 0.00 -1.25 0.00 0.00 55.69 53.23 2kgk s MET 6 Cb -0.15 -3.63 -0.02 0.00 2.84 0.00 0.00 34.83 33.88 2kgk s MET 6 CO -0.00 -0.71 -0.10 0.54 -0.65 0.00 0.00 175.02 174.10 2kgk s VAL 7 N 1.48 0.75 0.53 10.11 0.11 -0.55 -4.75 120.40 128.08 2kgk s VAL 7 Ca 0.01 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 2kgk s VAL 7 Cb -0.20 -0.71 0.03 0.00 -1.53 0.00 0.00 36.38 33.97 2kgk s VAL 7 CO 0.05 -0.08 0.75 0.00 -3.33 0.00 0.00 175.10 172.49 2kgk s ALA 8 N -0.81 3.98 -0.21 1.54 0.00 -1.26 -2.17 121.76 122.83 2kgk s ALA 8 Ca -0.02 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 2kgk s ALA 8 Cb -0.07 -2.02 0.07 0.00 0.00 0.00 0.00 23.12 21.10 2kgk s ALA 8 CO 0.01 -0.69 0.09 1.41 0.00 0.00 0.00 175.76 176.57 2kgk s MET 9 N -4.71 0.21 0.03 0.00 0.00 0.18 -4.50 119.30 110.51 2kgk s MET 9 Ca 0.57 -0.29 -0.29 0.00 0.00 0.00 0.00 55.69 55.68 2kgk s MET 9 Cb -0.10 -1.72 -0.04 0.00 0.00 0.00 0.00 34.83 32.97 2kgk s MET 9 CO 0.38 -0.77 0.94 -0.51 0.00 0.00 0.00 175.02 175.06 2kgk s ASP 10 N 2.06 7.37 0.56 1.11 1.01 -0.97 -1.73 116.67 126.08 2kgk s ASP 10 Ca 0.04 1.65 0.25 0.00 0.71 0.00 0.00 52.55 55.19 2kgk s ASP 10 Cb -0.16 -2.56 1.59 0.00 1.01 0.00 0.00 42.92 42.80 2kgk s ASP 10 CO -0.16 -0.16 2.18 1.05 0.21 0.00 0.00 175.17 178.28 2kgk h GLU 11 N 6.31 0.00 -0.01 8.23 4.11 -1.78 -2.37 114.58 129.06 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 0.74 0.00 -0.06 0.09 0.07 0.00 0.00 179.01 179.84 2kgk n ASN 12 N -4.10 1.31 0.00 3.06 3.02 -1.26 -5.01 115.26 112.28 2kgk n ASN 12 Ca -0.01 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 2kgk n ASN 12 Cb 0.16 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.07 0.00 0.00 3.52 5.12 -0.89 -4.80 116.66 119.68 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 0.00 1.55 3.14 -1.11 -1.93 118.33 119.98 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 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -1.41 0.00 -2.17 1.55 -5.35 -1.17 -2.29 119.36 108.52 2kgk n ILE 15 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 2kgk n ILE 15 Cb 0.00 -0.01 -0.04 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 -1.95 0.41 -0.22 3.28 0.00 -1.03 -3.94 107.32 103.88 2kgk s GLY 16 Ca 0.00 -1.30 -0.19 0.00 0.00 0.00 0.00 44.72 43.23 2kgk s GLY 16 CO 0.00 3.26 0.04 1.17 0.00 0.00 0.00 173.10 177.57 2kgk n LYS 17 N 9.03 0.56 -2.78 2.90 4.81 0.13 -1.47 118.16 131.34 2kgk n LYS 17 Ca 0.28 0.50 -0.06 0.00 -0.87 0.00 0.00 58.31 58.16 2kgk n LYS 17 Cb 0.49 -1.68 0.02 0.00 0.02 0.00 0.00 35.03 33.88 2kgk n LYS 17 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kgk n ASP 18 N -4.42 -3.19 0.00 3.14 -0.08 -1.26 -2.60 116.55 108.14 2kgk n ASP 18 Ca -0.34 -3.02 0.00 0.00 -1.51 0.00 0.00 54.79 49.93 2kgk n ASP 18 Cb 0.68 1.70 0.00 0.00 2.34 0.00 0.00 41.12 45.84 2kgk n ASP 18 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kgk n ASN 19 N 2.55 -2.68 -1.39 1.67 3.02 -1.26 -4.83 115.26 112.34 2kgk n ASN 19 Ca 0.16 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2kgk n ASN 19 Cb 0.58 -1.98 0.00 0.00 -0.61 0.00 0.00 39.78 37.77 2kgk n ASN 19 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2kgk n ASN 20 N -0.34 -0.26 -4.33 6.41 3.02 -1.26 -4.24 115.26 114.25 2kgk n ASN 20 Ca 0.00 -1.12 -0.29 0.00 -0.03 0.00 0.00 54.58 53.14 2kgk n ASN 20 Cb 0.17 0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 39.62 2kgk n ASN 20 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2kgk s LEU 21 N 0.00 2.22 0.50 3.41 -0.00 -1.25 -0.70 118.68 122.86 2kgk s LEU 21 Ca 0.04 -0.63 -0.22 0.00 -0.00 0.00 0.00 54.13 53.32 2kgk s LEU 21 Cb -0.00 -1.18 -0.06 0.00 -0.00 0.00 0.00 46.19 44.94 2kgk s LEU 21 CO 0.01 0.21 1.27 -2.16 -0.00 0.00 0.00 176.35 175.68 2kgk s PRO 22 N -1.48 3.43 0.27 1.48 0.04 -1.26 -5.01 135.00 132.47 2kgk s PRO 22 Ca 0.11 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2kgk s PRO 22 Cb -0.10 -2.34 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 2kgk s PRO 22 CO 0.03 -0.90 0.00 1.87 0.04 0.00 0.00 177.00 178.05 2kgk n TRP 23 N -0.76 0.62 -3.73 0.56 -0.00 -1.26 -4.99 117.44 107.88 2kgk n TRP 23 Ca 0.09 -1.36 -0.12 0.00 -0.00 0.00 0.00 57.50 56.11 2kgk n TRP 23 Cb 0.46 -0.18 -0.12 0.00 -0.00 0.00 0.00 31.31 31.48 2kgk n TRP 23 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 2kgk s ARG 24 N -2.99 0.32 -0.98 5.87 3.00 -1.26 -4.95 118.95 117.96 2kgk s ARG 24 Ca 0.00 0.59 -0.07 0.00 -1.00 0.00 0.00 55.73 55.25 2kgk s ARG 24 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 34.95 34.91 2kgk s ARG 24 CO 0.00 -0.13 0.82 1.28 0.00 0.00 0.00 175.30 177.28 2kgk n LEU 25 N 3.87 -5.15 0.28 -0.88 4.77 -1.26 -4.65 117.00 113.98 2kgk n LEU 25 Ca -0.21 -0.63 0.02 0.00 -0.03 0.00 0.00 56.01 55.16 2kgk n LEU 25 Cb 0.55 -2.99 0.08 0.00 -2.33 0.00 0.00 43.42 38.74 2kgk n LEU 25 CO 0.13 -0.12 0.93 -0.65 -1.33 0.00 0.00 177.39 176.35 2kgk h PRO 26 N -0.83 0.00 -0.01 3.23 0.10 -1.96 1.37 132.00 133.90 2kgk h PRO 26 Ca -0.47 0.00 -0.15 0.00 0.10 0.00 0.00 66.00 65.48 2kgk h PRO 26 Cb 1.25 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.36 2kgk h PRO 26 CO 0.41 0.00 -0.57 0.77 0.10 0.00 0.00 178.00 178.71 2kgk h SER 27 N 0.00 0.52 -0.14 -2.05 0.02 -2.02 -3.13 113.55 106.75 2kgk h SER 27 Ca 0.00 -0.75 -0.01 0.00 -0.84 0.00 0.00 61.79 60.19 2kgk h SER 27 Cb 1.69 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 2kgk h SER 27 CO 0.00 1.20 0.07 -0.08 -1.14 0.00 0.00 176.83 176.88 2kgk h GLU 28 N -0.11 0.24 -0.87 3.45 4.22 0.16 -1.59 114.58 120.08 2kgk h GLU 28 Ca -0.07 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.40 2kgk h GLU 28 Cb 1.28 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 2kgk h GLU 28 CO 0.11 0.21 0.55 1.25 -2.18 0.00 0.00 179.01 178.95 2kgk h LEU 29 N 0.25 0.89 0.01 1.64 5.85 -1.45 0.37 115.31 122.87 2kgk h LEU 29 Ca 0.06 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.53 2kgk h LEU 29 Cb 0.06 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 40.92 2kgk h LEU 29 CO -0.01 0.58 -1.13 1.56 -0.34 0.00 0.00 178.44 179.11 2kgk h GLN 30 N 1.03 0.43 -0.21 1.25 4.20 -1.32 -2.77 115.11 117.73 2kgk h GLN 30 Ca 0.37 -0.57 -0.21 0.00 0.06 0.00 0.00 58.65 58.30 2kgk h GLN 30 Cb 0.11 0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.08 2kgk h GLN 30 CO -0.15 1.22 -0.69 1.88 -0.67 0.00 0.00 178.83 180.42 2kgk h TYR 31 N 0.19 1.09 -0.21 2.96 0.05 -1.06 -1.81 116.97 118.19 2kgk h TYR 31 Ca -0.13 -0.45 -0.10 0.00 0.05 0.00 0.00 58.73 58.10 2kgk h TYR 31 Cb 1.80 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 39.36 2kgk h TYR 31 CO 0.08 1.28 -0.26 -0.24 -1.05 0.00 0.00 178.16 177.96 2kgk h VAL 32 N 0.59 1.33 -0.09 -2.88 3.04 -0.37 -2.00 116.25 115.87 2kgk h VAL 32 Ca -0.03 -1.46 -0.17 0.00 -1.01 0.00 0.00 66.70 64.04 2kgk h VAL 32 Cb 1.31 1.79 -0.01 0.00 -2.01 0.00 0.00 31.29 32.37 2kgk h VAL 32 CO 0.15 0.45 -0.66 0.07 -1.01 0.00 0.00 177.57 176.56 2kgk h LYS 33 N 0.22 0.36 0.00 4.17 2.10 -1.57 -1.82 116.57 120.02 2kgk h LYS 33 Ca 0.03 -0.27 -0.10 0.00 -2.00 0.00 0.00 60.65 58.31 2kgk h LYS 33 Cb 0.83 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.20 2kgk h LYS 33 CO 0.06 0.89 -0.46 1.57 -2.00 0.00 0.00 179.45 179.52 2kgk h LYS 34 N 0.26 0.00 0.00 0.07 2.10 -1.36 0.27 116.57 117.91 2kgk h LYS 34 Ca -0.02 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.56 2kgk h LYS 34 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2kgk h LYS 34 CO 0.11 0.46 -1.15 0.00 -2.00 0.00 0.00 179.45 176.87 2kgk h THR 35 N 0.00 0.25 -0.03 0.07 1.03 -1.32 -3.34 112.91 109.57 2kgk h THR 35 Ca -0.00 -1.48 0.00 0.00 -0.01 0.00 0.00 66.41 64.92 2kgk h THR 35 Cb 1.15 1.78 0.00 0.00 -1.07 0.00 0.00 68.15 70.01 2kgk h THR 35 CO 0.06 0.14 0.00 1.07 -0.01 0.00 0.00 175.52 176.78 2kgk n THR 36 N -2.80 0.04 -1.02 0.00 5.66 -0.69 -5.04 114.28 110.43 2kgk n THR 36 Ca -0.04 -0.52 -0.33 0.00 -3.05 0.00 0.00 64.05 60.11 2kgk n THR 36 Cb 0.68 1.23 0.01 0.00 -1.55 0.00 0.00 70.33 70.71 2kgk n THR 36 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 2kgk n MET 37 N 0.70 0.00 -0.28 1.09 0.00 0.95 -3.12 117.12 116.45 2kgk n MET 37 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.78 2kgk n MET 37 Cb 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 33.22 32.69 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 2.29 0.70 3.84 3.17 0.00 -0.71 -5.05 105.19 109.42 2kgk n GLY 38 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2kgk n GLY 38 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kgk s HIS 39 N -2.42 3.71 -0.09 1.61 -3.43 -1.18 -5.01 115.29 108.49 2kgk s HIS 39 Ca 0.00 0.95 -0.30 0.00 -0.80 0.00 0.00 55.06 54.92 2kgk s HIS 39 Cb 0.00 -2.27 -0.04 0.00 -1.43 0.00 0.00 32.58 28.83 2kgk s HIS 39 CO 0.00 0.64 1.56 -1.25 -2.00 0.00 0.00 174.74 173.69 2kgk s PRO 40 N -1.01 4.18 -0.47 -0.38 0.04 -1.26 -4.67 135.00 131.42 2kgk s PRO 40 Ca 0.23 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.27 2kgk s PRO 40 Cb -0.16 -3.94 0.12 0.00 0.04 0.00 0.00 34.50 30.56 2kgk s PRO 40 CO 0.12 -0.83 0.29 -0.51 0.04 0.00 0.00 177.00 176.11 2kgk s LEU 41 N 3.96 5.39 -0.61 -3.56 1.43 -1.03 -2.21 118.68 122.05 2kgk s LEU 41 Ca 0.69 -2.15 -0.23 0.00 -1.03 0.00 0.00 54.13 51.41 2kgk s LEU 41 Cb -0.30 -1.88 0.06 0.00 0.03 0.00 0.00 46.19 44.09 2kgk s LEU 41 CO 0.26 -0.55 0.94 -0.63 0.23 0.00 0.00 176.35 176.60 2kgk s ILE 42 N 0.98 4.37 0.36 -0.59 1.09 -1.03 -1.13 121.20 125.25 2kgk s ILE 42 Ca 0.09 -0.12 0.08 0.00 -1.10 0.00 0.00 60.65 59.60 2kgk s ILE 42 Cb -0.23 -4.61 -0.04 0.00 -1.06 0.00 0.00 42.46 36.51 2kgk s ILE 42 CO -0.03 -1.30 0.18 -0.04 -0.10 0.00 0.00 174.94 173.64 2kgk s MET 43 N 3.98 2.36 0.19 2.79 -1.94 -0.44 0.14 119.30 126.38 2kgk s MET 43 Ca 0.25 -1.60 -0.25 0.00 -1.71 0.00 0.00 55.69 52.37 2kgk s MET 43 Cb -0.15 -2.16 -0.08 0.00 2.01 0.00 0.00 34.83 34.44 2kgk s MET 43 CO 0.14 0.03 0.80 0.20 -0.01 0.00 0.00 175.02 176.18 2kgk s GLY 44 N -3.89 2.91 0.42 -0.03 0.00 -0.84 -2.34 107.32 103.54 2kgk s GLY 44 Ca 0.39 0.38 0.15 0.00 0.00 0.00 0.00 44.72 45.64 2kgk s GLY 44 CO 0.23 0.87 1.91 0.07 0.00 0.00 0.00 173.10 176.19 2kgk h ARG 45 N 4.16 0.44 0.08 2.90 -0.00 -1.92 0.18 114.38 120.23 2kgk h ARG 45 Ca -0.47 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.98 59.48 2kgk h ARG 45 Cb 1.20 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 31.08 2kgk h ARG 45 CO 0.66 0.29 -0.04 -0.22 -0.00 0.00 0.00 179.97 180.66 2kgk h LYS 46 N 0.45 -0.11 -0.56 0.08 1.63 -1.92 0.47 116.57 116.61 2kgk h LYS 46 Ca 0.38 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.26 2kgk h LYS 46 Cb 0.83 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.45 2kgk h LYS 46 CO -0.13 0.23 0.38 -0.97 -3.45 0.00 0.00 179.45 175.51 2kgk h ASN 47 N -0.45 0.40 0.23 4.20 -0.00 -1.60 0.20 115.58 118.55 2kgk h ASN 47 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.13 2kgk h ASN 47 Cb 0.38 -0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 38.62 2kgk h ASN 47 CO 0.02 0.25 -0.64 0.22 -0.00 0.00 0.00 177.43 177.29 2kgk h TYR 48 N 0.45 0.51 -0.07 0.67 5.03 -0.74 0.18 116.97 123.00 2kgk h TYR 48 Ca 0.25 -0.20 -0.15 0.00 2.58 0.00 0.00 58.73 61.21 2kgk h TYR 48 Cb 0.40 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 2kgk h TYR 48 CO -0.00 0.92 -0.62 0.93 -1.32 0.00 0.00 178.16 178.07 2kgk h GLU 49 N 0.29 0.24 0.02 1.82 5.08 0.13 0.56 114.58 122.72 2kgk h GLU 49 Ca -0.01 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2kgk h GLU 49 Cb 1.18 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.46 2kgk h GLU 49 CO 0.11 0.78 -0.27 0.00 -1.00 0.00 0.00 179.01 178.63 2kgk h ALA 50 N 1.18 0.01 -0.14 3.43 0.00 -0.59 -3.34 119.26 119.80 2kgk h ALA 50 Ca -0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2kgk h ALA 50 Cb 1.13 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kgk h ALA 50 CO 0.10 0.10 -0.02 0.82 0.00 0.00 0.00 179.25 180.25 2kgk h ILE 51 N -0.59 1.27 0.00 0.00 2.04 -1.00 -3.47 117.51 115.75 2kgk h ILE 51 Ca -0.04 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.92 2kgk h ILE 51 Cb 1.09 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 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 -0.21 0.51 2.49 5.37 0.00 0.19 -4.88 105.19 108.66 2kgk n GLY 52 Ca -0.06 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 1.92 -2.44 1.61 1.74 -1.26 -4.41 116.66 113.82 2kgk n ARG 53 Ca 0.00 -4.02 -0.33 0.00 -0.77 0.00 0.00 57.85 52.73 2kgk n ARG 53 Cb 0.00 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.50 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 -2.74 3.78 -0.16 5.56 0.04 -1.26 -5.01 135.00 135.21 2kgk s PRO 54 Ca 0.43 1.21 0.22 0.00 0.04 0.00 0.00 61.00 62.90 2kgk s PRO 54 Cb 0.30 -2.10 0.47 0.00 0.04 0.00 0.00 34.50 33.21 2kgk s PRO 54 CO -0.10 -0.43 1.14 1.47 0.04 0.00 0.00 177.00 179.13 2kgk n LEU 55 N -1.28 1.68 -4.42 -3.56 -0.00 -1.26 -4.85 117.00 103.31 2kgk n LEU 55 Ca 0.08 -2.83 -0.52 0.00 -0.00 0.00 0.00 56.01 52.75 2kgk n LEU 55 Cb 0.53 0.18 -0.08 0.00 -0.00 0.00 0.00 43.42 44.05 2kgk n LEU 55 CO 0.42 0.94 1.80 -0.81 -0.00 0.00 0.00 177.39 179.74 2kgk n PRO 56 N -0.23 0.92 -0.33 1.47 -0.04 -1.26 0.10 135.00 135.62 2kgk n PRO 56 Ca 0.10 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2kgk n PRO 56 Cb 0.94 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 6.67 0.75 3.79 0.55 0.00 -1.26 -4.24 105.19 111.45 2kgk n GLY 57 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.16 -3.83 -2.73 1.61 5.12 0.28 -1.75 116.66 113.21 2kgk n ARG 58 Ca 0.00 0.47 -0.09 0.00 -1.93 0.00 0.00 57.85 56.30 2kgk n ARG 58 Cb 0.00 -5.23 0.10 0.00 -1.16 0.00 0.00 32.46 26.16 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 -4.18 1.06 -3.47 5.56 0.63 -1.26 -4.83 116.66 110.17 2kgk n ARG 59 Ca 0.03 -1.91 -0.39 0.00 -0.92 0.00 0.00 57.85 54.66 2kgk n ARG 59 Cb 0.52 -0.84 -0.10 0.00 0.45 0.00 0.00 32.46 32.50 2kgk n ARG 59 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2kgk s ASN 60 N -1.26 6.15 -0.12 6.15 0.02 -1.26 -2.47 114.94 122.15 2kgk s ASN 60 Ca 0.22 0.03 0.02 0.00 -1.02 0.00 0.00 52.86 52.11 2kgk s ASN 60 Cb 0.31 -2.17 -0.01 0.00 0.02 0.00 0.00 41.25 39.40 2kgk s ASN 60 CO -0.06 -0.18 -0.18 -0.63 0.02 0.00 0.00 177.10 176.08 2kgk s ILE 61 N 1.94 2.65 -0.04 0.60 1.01 -0.29 -1.92 121.20 125.15 2kgk s ILE 61 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.98 2kgk s ILE 61 Cb -0.16 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 2kgk s ILE 61 CO 0.11 0.54 -0.09 0.27 0.00 0.00 0.00 174.94 175.77 2kgk s ILE 62 N 0.34 3.51 -0.28 2.92 -4.36 0.03 -1.32 121.20 122.04 2kgk s ILE 62 Ca -0.14 -0.64 -0.17 0.00 -0.26 0.00 0.00 60.65 59.44 2kgk s ILE 62 Cb -0.17 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 2kgk s ILE 62 CO 0.07 0.54 0.47 -0.69 0.24 0.00 0.00 174.94 175.57 2kgk s VAL 63 N -0.84 5.09 -0.16 8.37 1.01 -0.99 -0.92 120.40 131.95 2kgk s VAL 63 Ca 0.13 0.71 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 2kgk s VAL 63 Cb -0.11 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2kgk s VAL 63 CO 0.03 0.06 0.47 0.28 0.00 0.00 0.00 175.10 175.95 2kgk s THR 64 N 2.25 0.00 -0.30 3.92 -1.32 -0.99 -3.77 115.64 115.43 2kgk s THR 64 Ca 0.19 -0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 60.49 2kgk s THR 64 Cb -0.16 -0.68 -0.03 0.00 -1.51 0.00 0.00 72.50 70.13 2kgk s THR 64 CO 0.10 -0.02 0.34 -0.13 -2.21 0.00 0.00 174.62 172.70 2kgk s ARG 65 N 0.08 3.84 0.00 7.08 0.52 -1.26 -4.50 118.95 124.70 2kgk s ARG 65 Ca -0.01 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2kgk s ARG 65 Cb -0.03 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.72 2kgk s ARG 65 CO 0.01 -0.36 0.00 0.27 0.02 0.00 0.00 175.30 175.25 2kgk n ASN 66 N 5.32 0.00 -4.73 0.23 2.04 -1.26 -5.11 115.26 111.75 2kgk n ASN 66 Ca -0.09 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.63 2kgk n ASN 66 Cb 0.50 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.73 2kgk n ASN 66 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2kgk s GLU 67 N 0.00 4.13 0.00 -3.83 2.02 -1.26 -1.71 118.70 118.05 2kgk s GLU 67 Ca 0.00 2.58 0.00 0.00 0.02 0.00 0.00 54.97 57.57 2kgk s GLU 67 Cb 0.00 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2kgk s GLU 67 CO 0.00 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 174.99 2kgk n GLY 68 N 3.29 0.77 3.59 -1.39 0.00 -1.26 -5.06 105.19 105.13 2kgk n GLY 68 Ca 0.13 0.00 -0.33 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 -2.25 2.91 -0.01 1.61 5.04 -0.69 -5.12 117.35 118.83 2kgk s TYR 69 Ca 0.00 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 2kgk s TYR 69 Cb 0.00 -1.66 0.02 0.00 0.35 0.00 0.00 41.96 40.67 2kgk s TYR 69 CO 0.00 0.35 0.02 -1.01 -1.34 0.00 0.00 175.55 173.57 2kgk s HIS 70 N -0.90 0.04 -0.40 4.97 3.76 -1.26 -4.96 115.29 116.54 2kgk s HIS 70 Ca 0.15 0.08 -0.15 0.00 -0.15 0.00 0.00 55.06 54.99 2kgk s HIS 70 Cb -0.11 -0.18 0.02 0.00 1.11 0.00 0.00 32.58 33.42 2kgk s HIS 70 CO 0.04 -0.06 0.29 0.08 -0.85 0.00 0.00 174.74 174.24 2kgk s VAL 71 N 0.73 5.25 0.07 -0.90 1.01 -1.26 -5.05 120.40 120.25 2kgk s VAL 71 Ca -0.06 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 2kgk s VAL 71 Cb -0.09 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 2kgk s VAL 71 CO -0.02 -0.27 1.52 -1.61 0.00 0.00 0.00 175.10 174.72 2kgk s GLU 72 N 1.68 4.25 0.00 2.72 2.02 -1.26 -1.95 118.70 126.16 2kgk s GLU 72 Ca 0.05 2.18 0.00 0.00 0.02 0.00 0.00 54.97 57.22 2kgk s GLU 72 Cb -0.19 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.58 2kgk s GLU 72 CO 0.10 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.17 2kgk n GLY 73 N 3.77 0.29 3.20 -1.39 0.00 -1.26 -5.04 105.19 104.75 2kgk n GLY 73 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.61 4.18 0.06 0.00 0.41 -0.81 -4.34 118.70 114.59 2kgk s GLU 75 Ca 0.03 0.21 -0.21 0.00 -0.41 0.00 0.00 54.97 54.59 2kgk s GLU 75 Cb 0.04 -3.38 -0.06 0.00 -1.78 0.00 0.00 34.13 28.94 2kgk s GLU 75 CO -0.10 0.32 0.62 0.54 -0.49 0.00 0.00 175.26 176.15 2kgk s VAL 76 N 0.19 4.74 0.41 2.63 0.11 -1.26 -0.79 120.40 126.42 2kgk s VAL 76 Ca 0.20 1.32 0.04 0.00 -2.93 0.00 0.00 61.98 60.60 2kgk s VAL 76 Cb -0.14 -3.96 -0.02 0.00 -1.53 0.00 0.00 36.38 30.73 2kgk s VAL 76 CO 0.07 0.50 0.14 0.00 -3.33 0.00 0.00 175.10 172.47 2kgk s ALA 77 N -0.78 2.93 0.49 1.54 0.00 -0.10 -4.91 121.76 120.93 2kgk s ALA 77 Ca 0.31 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2kgk s ALA 77 Cb -0.20 0.77 0.08 0.00 0.00 0.00 0.00 23.12 23.77 2kgk s ALA 77 CO 0.20 -0.35 0.58 0.72 0.00 0.00 0.00 175.76 176.92 2kgk n HIS 78 N -0.92 -2.80 -0.30 0.00 8.25 -1.26 -2.34 115.22 115.85 2kgk n HIS 78 Ca -0.06 -1.27 -0.18 0.00 -0.26 0.00 0.00 57.72 55.95 2kgk n HIS 78 Cb 0.65 -0.41 0.17 0.00 1.12 0.00 0.00 29.99 31.51 2kgk n HIS 78 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2kgk n SER 79 N -2.74 -2.91 0.20 0.41 7.64 -1.26 -4.44 113.62 110.52 2kgk n SER 79 Ca 0.11 -0.61 0.18 0.00 1.01 0.00 0.00 58.87 59.55 2kgk n SER 79 Cb 0.39 -0.59 0.75 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.18 0.02 0.44 3.04 -1.99 -1.04 116.25 114.10 2kgk h VAL 80 Ca -0.24 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.46 2kgk h VAL 80 Cb 0.78 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 2kgk h VAL 80 CO 0.14 0.00 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.32 2kgk h GLU 81 N 0.00 -0.10 -0.01 4.17 5.08 -2.00 0.12 114.58 121.83 2kgk h GLU 81 Ca 0.11 0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.24 2kgk h GLU 81 Cb 0.96 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.24 2kgk h GLU 81 CO -0.00 -0.07 -0.95 1.49 -1.00 0.00 0.00 179.01 178.48 2kgk h GLU 82 N -0.11 0.50 -0.28 2.33 4.57 -1.47 -3.21 114.58 116.91 2kgk h GLU 82 Ca 0.02 -0.52 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 2kgk h GLU 82 Cb 0.12 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2kgk h GLU 82 CO -0.04 1.16 -0.04 0.28 -1.18 0.00 0.00 179.01 179.19 2kgk h VAL 83 N 0.28 1.19 -0.37 0.32 2.07 -1.34 -2.17 116.25 116.24 2kgk h VAL 83 Ca -0.09 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.69 2kgk h VAL 83 Cb 1.59 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 2kgk h VAL 83 CO 0.17 0.26 0.14 0.15 0.02 0.00 0.00 177.57 178.32 2kgk h PHE 84 N 0.42 0.26 -0.06 1.57 3.57 -0.77 -2.38 116.94 119.55 2kgk h PHE 84 Ca 0.09 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2kgk h PHE 84 Cb 0.34 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2kgk h PHE 84 CO 0.01 0.11 -0.13 1.05 -2.23 0.00 0.00 178.31 177.13 2kgk h GLU 85 N 0.30 0.20 -1.12 1.11 4.11 -1.58 -3.14 114.58 114.46 2kgk h GLU 85 Ca 0.17 -0.13 0.31 0.00 0.07 0.00 0.00 59.36 59.78 2kgk h GLU 85 Cb 0.13 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 2kgk h GLU 85 CO -0.16 0.71 0.77 -0.07 0.07 0.00 0.00 179.01 180.34 2kgk h LEU 86 N -0.29 0.20 -0.85 3.06 3.38 -1.26 0.14 115.31 119.68 2kgk h LEU 86 Ca 0.00 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.20 2kgk h LEU 86 Cb 0.71 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.36 2kgk h LEU 86 CO 0.03 0.03 0.38 0.00 0.09 0.00 0.00 178.44 178.97 2kgk n LYS 88 N -4.99 0.07 0.00 0.00 2.85 0.48 -1.90 118.16 114.67 2kgk n LYS 88 Ca 0.19 0.23 0.12 0.00 -1.05 0.00 0.00 58.31 57.80 2kgk n LYS 88 Cb 0.54 -1.50 0.59 0.00 -0.65 0.00 0.00 35.03 34.01 2kgk n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2kgk n ASN 89 N -1.42 0.00 -3.69 -5.58 2.85 0.39 -4.75 115.26 103.06 2kgk n ASN 89 Ca 0.04 0.15 -0.13 0.00 -0.11 0.00 0.00 54.58 54.53 2kgk n ASN 89 Cb 0.13 -0.37 -0.09 0.00 1.24 0.00 0.00 39.78 40.70 2kgk n ASN 89 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2kgk s GLU 90 N -2.74 0.60 0.12 1.20 2.56 -0.80 -5.06 118.70 114.59 2kgk s GLU 90 Ca 0.19 0.77 -0.22 0.00 0.00 0.00 0.00 54.97 55.71 2kgk s GLU 90 Cb 0.17 0.26 -0.06 0.00 2.00 0.00 0.00 34.13 36.49 2kgk s GLU 90 CO 0.41 -0.09 1.70 1.05 -0.56 0.00 0.00 175.26 177.77 2kgk h GLU 91 N 5.58 -0.09 -5.02 4.30 4.11 -1.85 -3.41 114.58 118.20 2kgk h GLU 91 Ca -0.29 0.01 -0.64 0.00 0.07 0.00 0.00 59.36 58.50 2kgk h GLU 91 Cb 1.18 0.02 -0.34 0.00 0.50 0.00 0.00 28.75 30.10 2kgk h GLU 91 CO 0.18 -0.06 -0.86 -1.83 0.07 0.00 0.00 179.01 176.52 2kgk s GLU 92 N -6.18 2.74 0.06 1.06 -1.05 -1.26 -1.27 118.70 112.81 2kgk s GLU 92 Ca -0.14 -0.75 0.06 0.00 -0.15 0.00 0.00 54.97 53.99 2kgk s GLU 92 Cb 0.09 -2.28 -0.03 0.00 -0.44 0.00 0.00 34.13 31.47 2kgk s GLU 92 CO 0.67 -0.07 -0.16 0.96 0.95 0.00 0.00 175.26 177.61 2kgk s ILE 93 N 0.98 1.27 -0.07 1.83 -0.00 -1.01 -4.82 121.20 119.38 2kgk s ILE 93 Ca -0.04 -1.21 -0.01 0.00 -0.00 0.00 0.00 60.65 59.38 2kgk s ILE 93 Cb -0.15 -1.17 -0.03 0.00 -0.00 0.00 0.00 42.46 41.11 2kgk s ILE 93 CO -0.04 -0.06 0.00 -0.36 -0.00 0.00 0.00 174.94 174.48 2kgk s PHE 94 N -1.04 3.14 -0.14 1.37 0.40 -0.94 -2.20 117.98 118.58 2kgk s PHE 94 Ca 0.02 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.54 2kgk s PHE 94 Cb -0.09 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.69 2kgk s PHE 94 CO 0.02 0.46 -0.19 0.42 0.70 0.00 0.00 175.22 176.64 2kgk s ILE 95 N -0.91 1.83 -0.13 0.64 -1.09 -0.43 -2.47 121.20 118.64 2kgk s ILE 95 Ca 0.14 -0.83 0.17 0.00 -2.23 0.00 0.00 60.65 57.91 2kgk s ILE 95 Cb -0.11 -1.65 0.28 0.00 -1.58 0.00 0.00 42.46 39.39 2kgk s ILE 95 CO 0.03 0.50 1.16 0.33 -1.23 0.00 0.00 174.94 175.73 2kgk n PHE 96 N 4.33 0.06 0.00 3.97 7.35 0.36 -2.42 117.46 131.11 2kgk n PHE 96 Ca -0.19 -0.95 0.00 0.00 -0.76 0.00 0.00 57.45 55.54 2kgk n PHE 96 Cb 0.51 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.19 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 -1.30 0.00 0.00 7.13 0.00 0.38 -3.97 105.19 107.43 2kgk n GLY 97 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -1.24 0.36 -0.02 0.00 -1.26 -1.99 105.19 101.04 2kgk n GLY 98 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.96 -0.27 4.61 0.00 -1.99 0.28 119.26 120.93 2kgk h ALA 99 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kgk h ALA 99 Cb 0.00 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2kgk h ALA 99 CO 0.00 -1.02 -0.01 -0.56 0.00 0.00 0.00 179.25 177.66 2kgk h GLN 100 N -0.64 0.07 0.05 0.00 -0.00 -1.99 -1.06 115.11 111.53 2kgk h GLN 100 Ca -0.02 -0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2kgk h GLN 100 Cb 0.60 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 28.03 2kgk h GLN 100 CO -0.13 0.05 -0.18 0.82 -0.00 0.00 0.00 178.83 179.39 2kgk h ILE 101 N 0.07 0.59 -0.37 1.86 1.08 -1.88 -2.00 117.51 116.86 2kgk h ILE 101 Ca 0.13 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.67 2kgk h ILE 101 Cb 0.17 0.59 -0.07 0.00 -3.07 0.00 0.00 36.82 34.43 2kgk h ILE 101 CO -0.22 0.00 -0.11 1.88 -0.69 0.00 0.00 178.15 179.00 2kgk h TYR 102 N -0.31 -0.26 -0.58 1.37 0.05 -0.19 0.14 116.97 117.19 2kgk h TYR 102 Ca 0.04 0.04 0.12 0.00 0.05 0.00 0.00 58.73 58.97 2kgk h TYR 102 Cb 0.36 0.17 -0.11 0.00 1.01 0.00 0.00 36.73 38.16 2kgk h TYR 102 CO -0.20 -0.19 -0.11 0.22 -1.05 0.00 0.00 178.16 176.83 2kgk h ASP 103 N -0.03 -0.47 1.17 3.88 1.82 -0.73 0.50 116.42 122.55 2kgk h ASP 103 Ca 0.18 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 2kgk h ASP 103 Cb 0.31 0.34 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2kgk h ASP 103 CO -0.40 -0.17 0.00 -0.07 -1.61 0.00 0.00 179.24 176.99 2kgk h LEU 104 N 0.02 0.00 -1.47 2.28 4.07 -0.56 -2.67 115.31 116.98 2kgk h LEU 104 Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 2kgk h LEU 104 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2kgk h LEU 104 CO -0.57 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.28 2kgk n PHE 105 N -2.91 0.08 -0.10 1.13 3.72 0.15 -4.42 117.46 115.10 2kgk n PHE 105 Ca 0.02 -0.04 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 2kgk n PHE 105 Cb 0.34 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 2kgk n PHE 105 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2kgk h LEU 106 N 3.41 -1.09 -0.18 4.37 4.07 -0.37 0.65 115.31 126.17 2kgk h LEU 106 Ca 0.00 0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2kgk h LEU 106 Cb 0.73 0.50 0.00 0.00 1.08 0.00 0.00 40.66 42.97 2kgk h LEU 106 CO 0.00 -0.33 0.00 -0.81 -1.08 0.00 0.00 178.44 176.22 2kgk n PRO 107 N -5.41 0.59 0.00 1.13 -0.04 -1.26 -1.96 135.00 128.04 2kgk n PRO 107 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kgk n PRO 107 Cb 0.34 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.37 0.00 -3.25 0.54 4.01 0.17 -5.04 117.16 113.22 2kgk n TYR 108 Ca 0.00 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2kgk n TYR 108 Cb 0.03 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.98 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 -0.04 5.04 -0.19 -0.72 1.01 0.16 -4.80 120.40 120.86 2kgk s VAL 109 Ca 0.00 0.46 -0.24 0.00 0.00 0.00 0.00 61.98 62.20 2kgk s VAL 109 Cb 0.00 -3.92 -0.21 0.00 0.00 0.00 0.00 36.38 32.25 2kgk s VAL 109 CO 0.00 -0.13 0.39 0.44 0.00 0.00 0.00 175.10 175.80 2kgk h ASP 110 N 8.35 0.00 -3.65 3.32 5.19 -1.51 -3.44 116.42 124.69 2kgk h ASP 110 Ca -0.28 -0.66 -0.67 0.00 -0.62 0.00 0.00 57.03 54.79 2kgk h ASP 110 Cb 1.13 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.42 2kgk h ASP 110 CO 0.75 1.32 -0.72 -0.54 -3.12 0.00 0.00 179.24 176.93 2kgk s LYS 111 N -2.31 2.93 -0.11 3.56 3.01 0.75 -0.67 119.74 126.91 2kgk s LYS 111 Ca -0.25 -0.61 0.01 0.00 -1.01 0.00 0.00 55.97 54.11 2kgk s LYS 111 Cb 0.03 -2.59 0.02 0.00 -1.01 0.00 0.00 37.83 34.28 2kgk s LYS 111 CO 0.62 0.51 -0.14 -1.17 0.51 0.00 0.00 175.35 175.68 2kgk s LEU 112 N -0.42 1.64 -0.15 3.17 2.96 0.14 -1.13 118.68 124.89 2kgk s LEU 112 Ca 0.06 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2kgk s LEU 112 Cb -0.12 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.55 2kgk s LEU 112 CO 0.02 -0.01 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.53 2kgk s TYR 113 N 1.08 2.71 -0.00 5.38 1.51 0.73 -0.43 117.35 128.32 2kgk s TYR 113 Ca -0.05 -1.30 0.05 0.00 -1.01 0.00 0.00 57.07 54.76 2kgk s TYR 113 Cb -0.15 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 2kgk s TYR 113 CO -0.02 -0.60 -0.17 0.42 -1.11 0.00 0.00 175.55 174.07 2kgk s ILE 114 N 0.86 1.33 -0.15 2.71 1.01 -1.19 -1.48 121.20 124.29 2kgk s ILE 114 Ca -0.06 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 2kgk s ILE 114 Cb -0.15 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.23 2kgk s ILE 114 CO -0.02 0.32 -0.08 -0.89 0.00 0.00 0.00 174.94 174.27 2kgk s THR 115 N -0.47 1.21 0.12 2.92 2.01 -0.92 -1.80 115.64 118.71 2kgk s THR 115 Ca 0.06 -0.56 -0.20 0.00 0.31 0.00 0.00 61.69 61.30 2kgk s THR 115 Cb -0.07 -1.28 -0.07 0.00 0.01 0.00 0.00 72.50 71.09 2kgk s THR 115 CO -0.00 0.26 0.63 -0.75 -0.69 0.00 0.00 174.62 174.07 2kgk s LYS 116 N 1.61 4.27 -0.04 4.92 2.20 -0.70 0.49 119.74 132.49 2kgk s LYS 116 Ca 0.02 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 56.46 2kgk s LYS 116 Cb -0.14 -3.17 0.02 0.00 -1.51 0.00 0.00 37.83 33.03 2kgk s LYS 116 CO -0.08 0.58 -0.03 0.42 -0.36 0.00 0.00 175.35 175.88 2kgk s ILE 117 N -1.20 0.41 -0.43 5.43 1.01 -0.71 -2.06 121.20 123.66 2kgk s ILE 117 Ca 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.88 2kgk s ILE 117 Cb -0.20 -0.47 -0.15 0.00 0.01 0.00 0.00 42.46 41.66 2kgk s ILE 117 CO 0.21 0.20 3.28 1.57 0.00 0.00 0.00 174.94 180.20 2kgk n HIS 118 N 4.14 0.85 -3.26 3.97 -0.00 -0.95 -2.64 115.22 117.34 2kgk n HIS 118 Ca -0.24 -1.92 0.03 0.00 0.46 0.00 0.00 57.72 56.05 2kgk n HIS 118 Cb 0.51 -1.71 -0.02 0.00 -0.12 0.00 0.00 29.99 28.64 2kgk n HIS 118 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kgk s HIS 119 N 0.52 -1.30 -0.28 1.57 5.04 -1.26 -4.79 115.29 114.80 2kgk s HIS 119 Ca 0.65 1.58 -0.25 0.00 -1.54 0.00 0.00 55.06 55.49 2kgk s HIS 119 Cb 0.30 0.53 0.14 0.00 0.04 0.00 0.00 32.58 33.59 2kgk s HIS 119 CO -0.06 -0.70 1.11 0.00 -2.34 0.00 0.00 174.74 172.75 2kgk s ALA 120 N 2.85 -2.02 -0.21 1.58 0.00 -1.26 -4.70 121.76 118.00 2kgk s ALA 120 Ca 0.11 1.83 -0.13 0.00 0.00 0.00 0.00 51.96 53.76 2kgk s ALA 120 Cb -0.13 -1.46 0.06 0.00 0.00 0.00 0.00 23.12 21.59 2kgk s ALA 120 CO -0.19 -0.22 0.52 0.12 0.00 0.00 0.00 175.76 176.00 2kgk s PHE 121 N 0.11 -0.74 0.00 0.00 5.36 -1.26 -4.63 117.98 116.81 2kgk s PHE 121 Ca 0.04 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 2kgk s PHE 121 Cb -0.05 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.00 2kgk s PHE 121 CO -0.07 -0.39 0.00 -0.85 -1.46 0.00 0.00 175.22 172.45 2kgk n GLU 122 N 3.96 0.00 0.00 10.12 0.28 -1.26 -4.74 120.64 129.00 2kgk n GLU 122 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 2kgk n GLU 122 Cb 0.57 -0.20 0.00 0.00 1.43 0.00 0.00 31.44 33.24 2kgk n GLU 122 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kgk n GLY 123 N 1.66 5.49 0.01 -1.84 0.00 -1.07 -4.50 105.19 104.94 2kgk n GLY 123 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 3.44 -3.80 1.61 2.03 -0.54 -4.92 116.55 114.36 2kgk n ASP 124 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2kgk n ASP 124 Cb 0.00 1.10 -0.16 0.00 -0.72 0.00 0.00 41.12 41.34 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 -2.37 0.77 -0.07 5.18 2.01 -1.04 -4.91 115.64 115.22 2kgk s THR 125 Ca -0.03 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.43 2kgk s THR 125 Cb 0.04 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.40 2kgk s THR 125 CO 0.28 -0.07 -0.23 0.72 -0.69 0.00 0.00 174.62 174.63 2kgk s PHE 126 N 1.76 2.35 -0.28 4.92 -0.71 -1.26 -2.46 117.98 122.30 2kgk s PHE 126 Ca -0.01 -0.82 -0.19 0.00 -1.04 0.00 0.00 56.93 54.87 2kgk s PHE 126 Cb -0.16 -1.57 0.11 0.00 -1.21 0.00 0.00 43.02 40.19 2kgk s PHE 126 CO -0.07 -0.30 0.87 0.12 -1.34 0.00 0.00 175.22 174.50 2kgk s PHE 127 N 0.12 -0.72 0.00 3.49 5.36 -0.81 -4.82 117.98 120.60 2kgk s PHE 127 Ca -0.11 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 2kgk s PHE 127 Cb -0.15 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 2kgk s PHE 127 CO 0.06 -0.35 0.00 -0.35 -1.46 0.00 0.00 175.22 173.11 2kgk n PRO 128 N 3.41 0.37 -3.68 10.12 -0.04 -1.26 -3.98 135.00 139.94 2kgk n PRO 128 Ca -0.17 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 2kgk n PRO 128 Cb 0.57 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.91 2kgk n PRO 128 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kgk s GLU 129 N -1.06 0.23 0.10 0.54 -1.05 -1.26 -5.00 118.70 111.20 2kgk s GLU 129 Ca 0.00 0.80 0.00 0.00 -0.15 0.00 0.00 54.97 55.62 2kgk s GLU 129 Cb 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.74 2kgk s GLU 129 CO 0.00 -0.24 0.00 -1.33 0.95 0.00 0.00 175.26 174.64 2kgk n MET 130 N 5.06 0.00 -2.24 -4.83 2.81 -1.26 -4.94 117.12 111.73 2kgk n MET 130 Ca -0.12 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.45 2kgk n MET 130 Cb 0.51 -0.26 -0.04 0.00 -0.71 0.00 0.00 33.22 32.72 2kgk n MET 130 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kgk s ASP 131 N -5.26 5.63 0.00 7.83 1.11 -1.26 -4.34 116.67 120.38 2kgk s ASP 131 Ca 0.00 -1.68 0.00 0.00 0.18 0.00 0.00 52.55 51.05 2kgk s ASP 131 Cb 0.00 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.41 2kgk s ASP 131 CO 0.00 -2.41 0.00 1.15 1.18 0.00 0.00 175.17 175.09 2kgk n MET 132 N 8.46 1.89 0.08 8.23 0.00 -1.26 -4.72 117.12 129.80 2kgk n MET 132 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 58.04 2kgk n MET 132 Cb 0.47 -0.90 -0.10 0.00 0.00 0.00 0.00 33.22 32.70 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 0.00 1.61 -0.32 3.17 1.03 -2.02 -3.20 112.91 113.17 2kgk h THR 133 Ca 0.00 -3.14 0.09 0.00 -0.01 0.00 0.00 66.41 63.35 2kgk h THR 133 Cb 0.27 2.79 -0.01 0.00 -1.07 0.00 0.00 68.15 70.12 2kgk h THR 133 CO 0.00 0.91 0.27 -1.13 -0.01 0.00 0.00 175.52 175.56 2kgk h ASN 134 N 0.04 0.00 -3.56 0.00 -0.73 -1.91 -3.41 115.58 106.01 2kgk h ASN 134 Ca -0.05 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.60 2kgk h ASN 134 Cb 1.76 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.32 2kgk h ASN 134 CO 0.15 0.00 -0.02 0.26 -0.37 0.00 0.00 177.43 177.45 2kgk s TRP 135 N -4.84 3.41 -0.13 0.67 0.52 -1.21 -5.07 118.94 112.29 2kgk s TRP 135 Ca -0.05 1.03 -0.09 0.00 0.02 0.00 0.00 56.10 57.01 2kgk s TRP 135 Cb 0.17 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 2kgk s TRP 135 CO 0.64 0.20 0.17 0.21 0.02 0.00 0.00 176.95 178.19 2kgk s LYS 136 N -2.85 3.69 0.12 4.98 2.36 -1.25 -4.98 119.74 121.81 2kgk s LYS 136 Ca 0.50 -0.08 0.05 0.00 -2.55 0.00 0.00 55.97 53.88 2kgk s LYS 136 Cb -0.11 -3.25 -0.04 0.00 -1.05 0.00 0.00 37.83 33.38 2kgk s LYS 136 CO 0.20 0.64 0.07 -1.83 1.55 0.00 0.00 175.35 175.97 2kgk s GLU 137 N -0.66 2.74 0.00 4.03 1.03 -1.26 -1.20 118.70 123.37 2kgk s GLU 137 Ca 0.14 -0.84 0.00 0.00 0.03 0.00 0.00 54.97 54.31 2kgk s GLU 137 Cb -0.12 -2.61 0.00 0.00 -0.80 0.00 0.00 34.13 30.60 2kgk s GLU 137 CO 0.04 0.52 0.00 1.33 -1.33 0.00 0.00 175.26 175.82 2kgk n VAL 138 N 0.16 0.00 -3.83 1.83 0.24 -0.83 -4.98 118.33 110.92 2kgk n VAL 138 Ca -0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 2kgk n VAL 138 Cb 0.53 -0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.59 2kgk n VAL 138 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2kgk s PHE 139 N -1.35 -0.07 -0.15 6.34 2.19 -1.25 -5.05 117.98 118.65 2kgk s PHE 139 Ca 0.00 0.10 -0.07 0.00 0.33 0.00 0.00 56.93 57.29 2kgk s PHE 139 Cb 0.00 0.01 0.06 0.00 -1.31 0.00 0.00 43.02 41.78 2kgk s PHE 139 CO 0.00 -0.29 0.35 0.54 1.83 0.00 0.00 175.22 177.65 2kgk s VAL 140 N -1.11 -0.12 -0.06 3.12 0.11 -1.26 -0.34 120.40 120.74 2kgk s VAL 140 Ca -0.12 0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 2kgk s VAL 140 Cb -0.06 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2kgk s VAL 140 CO 0.02 0.06 -0.22 -0.70 -3.33 0.00 0.00 175.10 170.92 2kgk s GLU 141 N 1.56 2.34 -0.20 1.54 2.12 0.19 -4.99 118.70 121.27 2kgk s GLU 141 Ca -0.08 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.38 2kgk s GLU 141 Cb -0.10 -1.97 -0.03 0.00 0.26 0.00 0.00 34.13 32.29 2kgk s GLU 141 CO -0.11 0.32 0.03 0.15 -0.54 0.00 0.00 175.26 175.11 2kgk s LYS 142 N -0.05 3.76 0.00 4.30 3.01 -1.26 0.17 119.74 129.67 2kgk s LYS 142 Ca -0.05 -0.45 0.00 0.00 -1.01 0.00 0.00 55.97 54.46 2kgk s LYS 142 Cb -0.13 -3.16 0.00 0.00 -1.01 0.00 0.00 37.83 33.52 2kgk s LYS 142 CO 0.04 0.09 0.00 0.41 0.51 0.00 0.00 175.35 176.40 2kgk n GLY 143 N 4.05 0.07 0.00 -3.33 0.00 -0.09 -4.97 105.19 100.91 2kgk n GLY 143 Ca -0.17 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -4.87 0.99 7.94 -1.26 -4.71 117.00 115.09 2kgk n LEU 144 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 2kgk n LEU 144 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 2kgk n LEU 144 CO 0.00 0.00 -0.01 0.28 -1.11 0.00 0.00 177.39 176.55 2kgk s THR 145 N -2.94 5.22 0.22 1.96 -1.32 -1.23 -4.48 115.64 113.07 2kgk s THR 145 Ca 0.00 0.33 -0.03 0.00 -1.21 0.00 0.00 61.69 60.77 2kgk s THR 145 Cb 0.00 -3.60 -0.03 0.00 -1.51 0.00 0.00 72.50 67.37 2kgk s THR 145 CO 0.00 0.38 0.23 -0.62 -2.21 0.00 0.00 174.62 172.40 2kgk s ASP 146 N -1.61 0.20 0.14 8.08 2.15 0.19 -4.93 116.67 120.89 2kgk s ASP 146 Ca 0.28 -1.30 -0.17 0.00 0.43 0.00 0.00 52.55 51.79 2kgk s ASP 146 Cb -0.14 0.45 -0.01 0.00 -0.30 0.00 0.00 42.92 42.92 2kgk s ASP 146 CO 0.16 -0.94 1.76 -0.33 -0.17 0.00 0.00 175.17 175.64 2kgk h GLU 147 N 2.49 0.48 -0.12 4.34 4.39 -1.99 -1.01 114.58 123.16 2kgk h GLU 147 Ca -0.33 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.18 2kgk h GLU 147 Cb 1.25 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2kgk h GLU 147 CO 0.47 0.38 -0.48 0.87 -1.16 0.00 0.00 179.01 179.08 2kgk h LYS 148 N 0.45 0.54 -3.07 2.33 6.56 -2.03 -3.39 116.57 117.96 2kgk h LYS 148 Ca 0.12 -0.42 -0.62 0.00 -1.06 0.00 0.00 60.65 58.67 2kgk h LYS 148 Cb 0.03 0.08 -0.40 0.00 -0.57 0.00 0.00 32.23 31.36 2kgk h LYS 148 CO -0.02 1.05 -0.70 -0.80 -2.06 0.00 0.00 179.45 176.91 2kgk s ASN 149 N -6.67 3.85 0.00 0.86 -0.87 -1.16 -4.97 114.94 105.98 2kgk s ASN 149 Ca -0.13 -2.90 0.00 0.00 -1.57 0.00 0.00 52.86 48.27 2kgk s ASN 149 Cb 0.06 -1.24 0.00 0.00 -0.02 0.00 0.00 41.25 40.05 2kgk s ASN 149 CO 0.83 -0.23 1.13 -0.81 -2.57 0.00 0.00 177.10 175.45 2kgk n PRO 150 N 3.21 0.92 -4.03 -0.60 -0.04 -0.39 -0.64 135.00 133.43 2kgk n PRO 150 Ca 0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.29 2kgk n PRO 150 Cb 0.35 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.09 1.74 -0.04 0.54 2.02 -1.26 -4.77 117.35 115.67 2kgk s TYR 151 Ca 0.00 -0.84 0.05 0.00 -0.37 0.00 0.00 57.07 55.91 2kgk s TYR 151 Cb 0.00 -1.88 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 2kgk s TYR 151 CO 0.00 -0.32 -0.19 0.99 -1.57 0.00 0.00 175.55 174.46 2kgk s THR 152 N -2.77 2.68 0.05 -0.71 2.01 -1.26 -3.55 115.64 112.08 2kgk s THR 152 Ca 0.30 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 2kgk s THR 152 Cb -0.01 -2.01 0.06 0.00 0.01 0.00 0.00 72.50 70.54 2kgk s THR 152 CO 0.18 0.59 0.54 -0.72 -0.69 0.00 0.00 174.62 174.52 2kgk s TYR 153 N -0.64 -0.46 0.02 4.92 -0.85 -1.26 -2.24 117.35 116.84 2kgk s TYR 153 Ca 0.10 0.53 0.05 0.00 -0.52 0.00 0.00 57.07 57.23 2kgk s TYR 153 Cb -0.11 0.36 -0.02 0.00 0.38 0.00 0.00 41.96 42.58 2kgk s TYR 153 CO 0.00 -0.65 -0.16 0.71 -1.52 0.00 0.00 175.55 173.93 2kgk s TYR 154 N -2.41 1.40 -0.14 -3.49 2.02 -0.87 -0.91 117.35 112.95 2kgk s TYR 154 Ca -0.05 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2kgk s TYR 154 Cb -0.01 -0.86 -0.02 0.00 -0.40 0.00 0.00 41.96 40.68 2kgk s TYR 154 CO -0.01 0.03 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.42 2kgk s TYR 155 N -0.66 2.88 0.20 2.71 6.14 0.46 -1.72 117.35 127.35 2kgk s TYR 155 Ca 0.04 -0.53 0.10 0.00 0.64 0.00 0.00 57.07 57.33 2kgk s TYR 155 Cb -0.07 -1.88 -0.04 0.00 0.42 0.00 0.00 41.96 40.38 2kgk s TYR 155 CO 0.01 -0.15 -0.18 -1.01 0.64 0.00 0.00 175.55 174.86 2kgk s HIS 156 N 0.35 2.43 -0.21 4.97 3.76 -0.74 0.57 115.29 126.42 2kgk s HIS 156 Ca -0.09 -0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2kgk s HIS 156 Cb -0.15 -1.18 0.06 0.00 1.11 0.00 0.00 32.58 32.41 2kgk s HIS 156 CO 0.05 0.53 -0.04 0.08 -0.85 0.00 0.00 174.74 174.51 2kgk s VAL 157 N -1.78 1.25 0.21 -0.90 1.01 0.54 -3.17 120.40 117.56 2kgk s VAL 157 Ca 0.23 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2kgk s VAL 157 Cb -0.08 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2kgk s VAL 157 CO 0.13 -0.06 -0.01 -0.31 0.00 0.00 0.00 175.10 174.84 2kgk s TYR 158 N 1.54 2.76 0.05 5.22 2.02 0.43 -1.96 117.35 127.41 2kgk s TYR 158 Ca -0.03 -0.18 -0.18 0.00 -0.37 0.00 0.00 57.07 56.31 2kgk s TYR 158 Cb -0.18 -1.30 0.03 0.00 -0.40 0.00 0.00 41.96 40.12 2kgk s TYR 158 CO -0.07 0.55 0.40 -1.83 -1.57 0.00 0.00 175.55 173.03 2kgk s GLU 159 N -3.19 0.92 0.15 -0.62 -1.05 -0.34 -0.68 118.70 113.88 2kgk s GLU 159 Ca 0.28 -0.40 0.11 0.00 -0.15 0.00 0.00 54.97 54.81 2kgk s GLU 159 Cb -0.08 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.98 2kgk s GLU 159 CO 0.19 -0.32 -0.26 0.15 0.95 0.00 0.00 175.26 175.97 2kgk s LYS 160 N -2.58 1.45 -0.08 -4.83 -0.14 0.16 -3.77 119.74 109.94 2kgk s LYS 160 Ca -0.05 -1.41 -0.17 0.00 -1.36 0.00 0.00 55.97 52.99 2kgk s LYS 160 Cb -0.01 -1.89 -0.29 0.00 -1.68 0.00 0.00 37.83 33.97 2kgk s LYS 160 CO -0.03 0.43 0.66 1.96 -0.76 0.00 0.00 175.35 177.62 2kgk h GLN 161 N 3.65 0.28 -0.01 1.68 7.50 -1.94 -3.45 115.11 122.81 2kgk h GLN 161 Ca -0.49 -0.47 0.00 0.00 0.50 0.00 0.00 58.65 58.18 2kgk h GLN 161 Cb 1.18 0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.89 2kgk h GLN 161 CO 0.42 1.23 0.00 0.94 -1.50 0.00 0.00 178.83 179.92