#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 1.41 -0.10 1.12 1.01 0.01 -5.06 121.20 119.58 2kgk s ILE 2 Ca 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2kgk s ILE 2 Cb 0.00 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.19 2kgk s ILE 2 CO 0.00 0.42 -0.17 0.54 0.00 0.00 0.00 174.94 175.73 2kgk s VAL 3 N 0.97 1.59 0.16 2.92 0.11 -1.26 -2.29 120.40 122.60 2kgk s VAL 3 Ca -0.07 -0.71 0.10 0.00 -2.93 0.00 0.00 61.98 58.37 2kgk s VAL 3 Cb -0.15 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.23 2kgk s VAL 3 CO -0.01 0.46 -0.19 -0.44 -3.33 0.00 0.00 175.10 171.58 2kgk s SER 4 N 0.80 3.73 0.16 3.54 0.01 -0.86 -1.18 113.70 119.91 2kgk s SER 4 Ca -0.10 -0.70 0.10 0.00 1.31 0.00 0.00 55.95 56.55 2kgk s SER 4 Cb -0.16 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 2kgk s SER 4 CO 0.01 0.14 -0.17 0.12 0.41 0.00 0.00 173.24 173.75 2kgk s PHE 5 N -1.46 2.49 -0.25 2.43 2.19 0.24 -0.25 117.98 123.37 2kgk s PHE 5 Ca 0.20 -0.28 -0.03 0.00 0.33 0.00 0.00 56.93 57.15 2kgk s PHE 5 Cb -0.09 -1.26 0.11 0.00 -1.31 0.00 0.00 43.02 40.47 2kgk s PHE 5 CO 0.11 0.46 0.21 1.41 1.83 0.00 0.00 175.22 179.24 2kgk s MET 6 N -2.54 0.23 0.04 10.12 1.75 -0.96 -0.75 119.30 127.18 2kgk s MET 6 Ca 0.21 -0.13 0.02 0.00 -1.25 0.00 0.00 55.69 54.54 2kgk s MET 6 Cb -0.09 -1.06 -0.02 0.00 2.84 0.00 0.00 34.83 36.50 2kgk s MET 6 CO 0.12 -0.88 -0.08 0.14 -0.65 0.00 0.00 175.02 173.67 2kgk s VAL 7 N 2.26 0.54 0.85 10.11 -7.23 -0.78 -4.61 120.40 121.54 2kgk s VAL 7 Ca 0.08 -0.98 -0.13 0.00 -1.81 0.00 0.00 61.98 59.14 2kgk s VAL 7 Cb -0.15 -0.59 0.11 0.00 0.56 0.00 0.00 36.38 36.31 2kgk s VAL 7 CO -0.26 -0.32 1.22 0.00 -0.31 0.00 0.00 175.10 175.44 2kgk s ALA 8 N -1.22 2.54 -0.34 1.32 0.00 -1.26 -2.52 121.76 120.28 2kgk s ALA 8 Ca -0.08 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2kgk s ALA 8 Cb -0.09 -2.90 0.14 0.00 0.00 0.00 0.00 23.12 20.27 2kgk s ALA 8 CO 0.00 -1.89 0.30 -1.64 0.00 0.00 0.00 175.76 172.53 2kgk s MET 9 N -5.67 0.50 -0.11 0.00 -1.94 0.14 -4.43 119.30 107.80 2kgk s MET 9 Ca 0.65 -0.77 -0.30 0.00 -1.71 0.00 0.00 55.69 53.56 2kgk s MET 9 Cb -0.09 -0.88 -0.02 0.00 2.01 0.00 0.00 34.83 35.85 2kgk s MET 9 CO 0.50 -1.14 1.19 -0.51 -0.01 0.00 0.00 175.02 175.04 2kgk s ASP 10 N 1.62 7.04 0.54 3.03 1.01 -1.02 -0.20 116.67 128.70 2kgk s ASP 10 Ca 0.15 1.71 0.29 0.00 0.71 0.00 0.00 52.55 55.41 2kgk s ASP 10 Cb -0.17 -2.55 1.46 0.00 1.01 0.00 0.00 42.92 42.67 2kgk s ASP 10 CO -0.12 -0.64 1.92 1.05 0.21 0.00 0.00 175.17 177.59 2kgk h GLU 11 N 7.66 0.00 0.00 8.23 4.11 -1.74 -1.44 114.58 131.41 2kgk h GLU 11 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2kgk h GLU 11 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2kgk h GLU 11 CO 0.92 0.00 -0.99 0.09 0.07 0.00 0.00 179.01 179.10 2kgk n ASN 12 N -4.20 1.49 0.00 3.06 5.03 -1.26 -4.98 115.26 114.39 2kgk n ASN 12 Ca 0.14 -0.38 0.00 0.00 0.87 0.00 0.00 54.58 55.21 2kgk n ASN 12 Cb 0.82 1.24 0.00 0.00 -1.02 0.00 0.00 39.78 40.82 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 -1.56 0.00 0.00 3.52 3.00 -0.55 -4.70 116.66 116.37 2kgk n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2kgk n ARG 13 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.68 2kgk n ARG 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2kgk n VAL 14 N 0.00 0.00 0.00 1.55 3.14 -0.87 -1.09 118.33 121.06 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 0.00 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 -1.23 0.00 -3.41 1.55 -5.35 -1.17 -2.43 119.36 107.32 2kgk n ILE 15 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 2kgk n ILE 15 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.84 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 -1.73 2.14 0.05 3.28 0.00 -1.21 -3.66 107.32 106.20 2kgk s GLY 16 Ca 0.00 -2.64 0.10 0.00 0.00 0.00 0.00 44.72 42.18 2kgk s GLY 16 CO 0.00 1.17 1.00 0.07 0.00 0.00 0.00 173.10 175.34 2kgk h LYS 17 N 8.57 0.00 -0.65 2.90 2.10 -1.46 0.16 116.57 128.18 2kgk h LYS 17 Ca -0.22 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.26 2kgk h LYS 17 Cb 1.08 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.26 2kgk h LYS 17 CO 0.94 0.74 -0.48 -0.25 -2.00 0.00 0.00 179.45 178.40 2kgk n ASP 18 N -3.20 -3.24 0.00 7.07 8.00 -1.25 -1.75 116.55 122.18 2kgk n ASP 18 Ca -0.08 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.42 2kgk n ASP 18 Cb 0.98 1.76 0.00 0.00 -0.02 0.00 0.00 41.12 43.84 2kgk n ASP 18 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kgk n ASN 19 N 2.51 0.00 -2.73 -2.24 3.02 -1.26 -4.80 115.26 109.75 2kgk n ASN 19 Ca 0.15 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.65 2kgk n ASN 19 Cb 0.59 -1.47 0.02 0.00 -0.61 0.00 0.00 39.78 38.31 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 0.00 -1.66 -4.84 6.41 4.13 -1.26 -4.67 115.26 113.38 2kgk n ASN 20 Ca 0.00 -2.01 -0.33 0.00 1.68 0.00 0.00 54.58 53.92 2kgk n ASN 20 Cb 0.00 2.72 -0.06 0.00 -1.54 0.00 0.00 39.78 40.90 2kgk n ASN 20 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 2kgk s LEU 21 N 0.00 4.12 0.00 3.41 -0.00 -1.24 -1.25 118.68 123.72 2kgk s LEU 21 Ca 0.17 0.24 0.00 0.00 -0.00 0.00 0.00 54.13 54.54 2kgk s LEU 21 Cb -0.03 -2.44 0.00 0.00 -0.00 0.00 0.00 46.19 43.72 2kgk s LEU 21 CO 0.07 0.27 0.00 -0.81 -0.00 0.00 0.00 176.35 175.88 2kgk n PRO 22 N 1.06 2.58 -3.67 1.48 -0.04 -1.26 -4.99 135.00 130.16 2kgk n PRO 22 Ca -0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.33 2kgk n PRO 22 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 2kgk n PRO 22 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2kgk s TRP 23 N 0.00 -0.09 -0.04 0.54 -2.14 -1.26 -5.10 118.94 110.85 2kgk s TRP 23 Ca 0.00 -0.10 -0.04 0.00 2.66 0.00 0.00 56.10 58.62 2kgk s TRP 23 Cb 0.00 0.58 -0.01 0.00 -3.10 0.00 0.00 33.47 30.94 2kgk s TRP 23 CO 0.00 -0.51 -0.07 -2.13 -2.66 0.00 0.00 176.95 171.58 2kgk n ARG 24 N -0.47 0.12 -3.73 3.25 0.63 -1.26 -5.01 116.66 110.20 2kgk n ARG 24 Ca -0.07 0.12 -0.20 0.00 -0.92 0.00 0.00 57.85 56.78 2kgk n ARG 24 Cb 0.62 -0.78 -0.18 0.00 0.45 0.00 0.00 32.46 32.57 2kgk n ARG 24 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2kgk s LEU 25 N -5.60 0.44 0.44 6.15 2.96 -1.26 -4.95 118.68 116.87 2kgk s LEU 25 Ca -0.06 0.03 0.11 0.00 -0.22 0.00 0.00 54.13 53.99 2kgk s LEU 25 Cb 0.01 -0.21 1.00 0.00 0.50 0.00 0.00 46.19 47.49 2kgk s LEU 25 CO 0.09 -0.21 2.05 1.55 -1.32 0.00 0.00 176.35 178.51 2kgk h PRO 26 N 8.18 0.38 -0.36 0.98 0.13 -1.96 -1.33 132.00 138.02 2kgk h PRO 26 Ca -0.20 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.77 2kgk h PRO 26 Cb 1.12 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2kgk h PRO 26 CO 0.24 0.25 -0.31 0.77 -0.23 0.00 0.00 178.00 178.73 2kgk h SER 27 N 0.40 0.81 -0.35 1.44 0.02 -1.99 -2.63 113.55 111.24 2kgk h SER 27 Ca 0.16 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 2kgk h SER 27 Cb 0.16 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2kgk h SER 27 CO -0.04 1.05 0.06 -0.08 -1.14 0.00 0.00 176.83 176.68 2kgk h GLU 28 N 0.66 0.67 -0.09 3.45 4.22 -1.68 -1.10 114.58 120.70 2kgk h GLU 28 Ca 0.07 -0.14 -0.07 0.00 0.08 0.00 0.00 59.36 59.31 2kgk h GLU 28 Cb 0.84 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2kgk h GLU 28 CO 0.07 0.64 -0.25 1.25 -2.18 0.00 0.00 179.01 178.54 2kgk h LEU 29 N 0.64 0.16 -0.28 1.64 5.85 -1.17 -0.09 115.31 122.06 2kgk h LEU 29 Ca 0.14 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 2kgk h LEU 29 Cb 0.31 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2kgk h LEU 29 CO 0.00 0.42 -0.81 1.56 -0.34 0.00 0.00 178.44 179.28 2kgk h GLN 30 N 0.15 0.00 0.01 1.25 4.20 -0.92 -2.70 115.11 117.10 2kgk h GLN 30 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2kgk h GLN 30 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2kgk h GLN 30 CO 0.04 0.81 -0.00 -0.92 -0.67 0.00 0.00 178.83 178.08 2kgk h TYR 31 N 0.00 -0.01 -0.20 2.96 3.20 -0.71 -2.04 116.97 120.16 2kgk h TYR 31 Ca -0.01 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2kgk h TYR 31 Cb 1.49 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 2kgk h TYR 31 CO 0.00 0.68 0.07 -0.24 -1.64 0.00 0.00 178.16 177.03 2kgk h VAL 32 N -0.98 0.95 -0.49 1.81 3.04 -1.15 0.37 116.25 119.79 2kgk h VAL 32 Ca -0.00 -0.06 -0.07 0.00 -1.01 0.00 0.00 66.70 65.56 2kgk h VAL 32 Cb 0.70 0.77 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 2kgk h VAL 32 CO 0.00 0.03 0.04 0.07 -1.01 0.00 0.00 177.57 176.70 2kgk h LYS 33 N 0.17 0.85 0.00 4.17 2.10 -1.63 -1.53 116.57 120.70 2kgk h LYS 33 Ca 0.09 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2kgk h LYS 33 Cb 0.05 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 2kgk h LYS 33 CO -0.09 0.87 0.00 1.17 -2.00 0.00 0.00 179.45 179.40 2kgk n LYS 34 N -4.37 0.13 -0.01 0.07 4.81 -0.77 0.31 118.16 118.34 2kgk n LYS 34 Ca 0.01 0.36 -0.07 0.00 -0.87 0.00 0.00 58.31 57.73 2kgk n LYS 34 Cb 0.29 -1.75 -0.13 0.00 0.02 0.00 0.00 35.03 33.46 2kgk n LYS 34 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2kgk h THR 35 N 0.00 0.90 0.00 3.15 2.02 0.59 -3.37 112.91 116.20 2kgk h THR 35 Ca 0.00 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.47 2kgk h THR 35 Cb 0.34 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2kgk h THR 35 CO 0.00 0.52 -0.06 1.07 0.37 0.00 0.00 175.52 177.42 2kgk n THR 36 N -3.06 0.94 -1.14 3.16 5.66 -0.66 -5.08 114.28 114.10 2kgk n THR 36 Ca -0.14 -1.05 -0.38 0.00 -3.05 0.00 0.00 64.05 59.43 2kgk n THR 36 Cb 1.02 0.39 -0.01 0.00 -1.55 0.00 0.00 70.33 70.17 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 -0.61 0.00 -1.82 1.09 3.85 0.91 -2.17 117.12 118.38 2kgk n MET 37 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 57.70 56.72 2kgk n MET 37 Cb 0.45 -0.85 -0.00 0.00 -1.05 0.00 0.00 33.22 31.77 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 1.88 0.34 3.86 3.17 0.00 0.14 -4.96 105.19 109.62 2kgk n GLY 38 Ca 0.12 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.10 3.29 -0.37 1.61 3.76 -0.92 -4.80 115.29 115.76 2kgk s HIS 39 Ca 0.00 0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.67 2kgk s HIS 39 Cb 0.00 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 2kgk s HIS 39 CO 0.00 0.52 1.93 -1.25 -0.85 0.00 0.00 174.74 175.08 2kgk s PRO 40 N -3.14 3.08 -0.33 8.40 0.04 -1.26 -3.80 135.00 137.99 2kgk s PRO 40 Ca 0.32 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.75 2kgk s PRO 40 Cb -0.11 -4.29 0.08 0.00 0.04 0.00 0.00 34.50 30.23 2kgk s PRO 40 CO 0.25 -2.16 0.04 -1.17 0.04 0.00 0.00 177.00 174.00 2kgk s LEU 41 N 7.93 4.40 0.04 -3.56 1.98 -0.10 -2.51 118.68 126.88 2kgk s LEU 41 Ca 0.82 -1.75 -0.20 0.00 -2.89 0.00 0.00 54.13 50.11 2kgk s LEU 41 Cb -0.22 -1.69 -0.06 0.00 0.66 0.00 0.00 46.19 44.88 2kgk s LEU 41 CO 0.31 -0.35 0.60 -0.63 -1.89 0.00 0.00 176.35 174.39 2kgk s ILE 42 N 1.09 4.79 0.17 6.68 1.09 -0.86 -0.02 121.20 134.14 2kgk s ILE 42 Ca 0.02 1.28 -0.05 0.00 -1.10 0.00 0.00 60.65 60.80 2kgk s ILE 42 Cb -0.20 -3.94 -0.02 0.00 -1.06 0.00 0.00 42.46 37.23 2kgk s ILE 42 CO -0.05 0.48 0.20 -0.04 -0.10 0.00 0.00 174.94 175.43 2kgk s MET 43 N -0.65 1.13 0.14 2.79 -1.94 -0.14 -0.56 119.30 120.06 2kgk s MET 43 Ca 0.31 -1.36 -0.16 0.00 -1.71 0.00 0.00 55.69 52.77 2kgk s MET 43 Cb -0.19 0.32 -0.07 0.00 2.01 0.00 0.00 34.83 36.90 2kgk s MET 43 CO 0.19 -0.38 0.57 0.20 -0.01 0.00 0.00 175.02 175.58 2kgk s GLY 44 N -3.04 2.52 0.33 -0.03 0.00 -0.80 -1.64 107.32 104.67 2kgk s GLY 44 Ca 0.24 -0.06 0.12 0.00 0.00 0.00 0.00 44.72 45.02 2kgk s GLY 44 CO 0.04 0.26 1.68 0.07 0.00 0.00 0.00 173.10 175.15 2kgk h ARG 45 N 3.78 0.39 -0.36 2.90 0.11 -1.91 0.96 114.38 120.25 2kgk h ARG 45 Ca -0.49 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.47 2kgk h ARG 45 Cb 1.20 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.17 2kgk h ARG 45 CO 0.65 0.26 -0.18 -0.22 0.10 0.00 0.00 179.97 180.58 2kgk h LYS 46 N 0.41 0.67 -0.53 0.08 3.64 -1.92 -0.29 116.57 118.63 2kgk h LYS 46 Ca 0.69 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.77 2kgk h LYS 46 Cb 1.49 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.24 2kgk h LYS 46 CO -0.56 0.81 0.07 -0.91 -2.27 0.00 0.00 179.45 176.59 2kgk h ASN 47 N 0.60 0.85 -0.00 4.20 2.35 0.57 -1.31 115.58 122.84 2kgk h ASN 47 Ca 0.09 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.45 2kgk h ASN 47 Cb 0.64 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2kgk h ASN 47 CO 0.04 0.91 -0.39 0.22 -1.65 0.00 0.00 177.43 176.57 2kgk h TYR 48 N 0.77 0.60 -0.26 1.19 3.20 -0.78 0.43 116.97 122.12 2kgk h TYR 48 Ca 0.16 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2kgk h TYR 48 Cb 0.43 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2kgk h TYR 48 CO 0.03 0.82 0.06 0.93 -1.64 0.00 0.00 178.16 178.37 2kgk h GLU 49 N 0.42 0.41 0.00 1.82 4.39 -0.77 0.28 114.58 121.14 2kgk h GLU 49 Ca 0.04 -0.10 -0.20 0.00 0.34 0.00 0.00 59.36 59.45 2kgk h GLU 49 Cb 0.86 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 2kgk h GLU 49 CO 0.07 0.51 -0.93 0.00 -1.16 0.00 0.00 179.01 177.50 2kgk h ALA 50 N 0.89 0.41 0.11 3.43 0.00 -1.18 -3.34 119.26 119.58 2kgk h ALA 50 Ca 0.08 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 2kgk h ALA 50 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kgk h ALA 50 CO 0.00 1.16 -0.05 0.82 0.00 0.00 0.00 179.25 181.18 2kgk h ILE 51 N 0.00 0.97 0.00 0.00 2.04 -0.04 -3.46 117.51 117.01 2kgk h ILE 51 Ca -0.01 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2kgk h ILE 51 Cb 1.70 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2kgk h ILE 51 CO 0.12 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.15 2kgk n GLY 52 N 0.82 2.62 1.46 5.37 0.00 0.97 -5.01 105.19 111.43 2kgk n GLY 52 Ca -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 13.61 -3.83 0.00 1.61 3.00 -1.26 -4.96 116.66 124.84 2kgk n ARG 53 Ca 0.00 2.97 0.00 0.00 -0.01 0.00 0.00 57.85 60.81 2kgk n ARG 53 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 32.46 28.73 2kgk n ARG 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2kgk n PRO 54 N -2.58 1.48 -2.98 5.56 -0.04 -1.26 -5.03 135.00 130.15 2kgk n PRO 54 Ca -0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2kgk n PRO 54 Cb 0.46 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.94 2kgk n PRO 54 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kgk n LEU 55 N 0.00 -0.18 -4.65 1.53 7.94 -1.26 -5.06 117.00 115.31 2kgk n LEU 55 Ca 0.00 -4.43 -0.42 0.00 -1.11 0.00 0.00 56.01 50.05 2kgk n LEU 55 Cb 0.00 0.72 -0.03 0.00 0.53 0.00 0.00 43.42 44.65 2kgk n LEU 55 CO 0.00 2.14 1.53 -2.16 -1.11 0.00 0.00 177.39 177.79 2kgk s PRO 56 N -1.57 4.07 -0.17 1.96 0.04 -1.26 -2.74 135.00 135.33 2kgk s PRO 56 Ca 0.33 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2kgk s PRO 56 Cb 0.35 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2kgk s PRO 56 CO -0.06 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2kgk n GLY 57 N 4.49 0.00 3.74 0.56 0.00 -1.26 -4.85 105.19 107.87 2kgk n GLY 57 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2kgk n GLY 57 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kgk s ARG 58 N -2.83 2.43 -0.29 1.61 3.52 -1.11 0.26 118.95 122.53 2kgk s ARG 58 Ca 0.00 -1.48 -0.02 0.00 -0.13 0.00 0.00 55.73 54.09 2kgk s ARG 58 Cb 0.00 -2.23 0.10 0.00 -1.56 0.00 0.00 34.95 31.26 2kgk s ARG 58 CO 0.00 0.15 0.11 0.50 -0.81 0.00 0.00 175.30 175.24 2kgk s ARG 59 N -3.85 0.48 -0.11 5.12 6.06 -1.25 -4.74 118.95 120.67 2kgk s ARG 59 Ca 0.37 -0.79 0.01 0.00 -2.50 0.00 0.00 55.73 52.82 2kgk s ARG 59 Cb -0.04 -1.65 -0.02 0.00 0.06 0.00 0.00 34.95 33.31 2kgk s ARG 59 CO 0.23 -0.98 -0.14 0.54 -2.50 0.00 0.00 175.30 172.46 2kgk s ASN 60 N 1.84 4.00 -0.18 -2.12 6.03 -1.26 -0.92 114.94 122.33 2kgk s ASN 60 Ca 0.09 -0.30 0.01 0.00 -1.03 0.00 0.00 52.86 51.63 2kgk s ASN 60 Cb -0.17 -1.41 0.03 0.00 -3.03 0.00 0.00 41.25 36.67 2kgk s ASN 60 CO -0.29 0.21 -0.17 -0.63 -2.03 0.00 0.00 177.10 174.19 2kgk s ILE 61 N 0.07 1.96 -0.04 0.54 1.09 0.97 -2.02 121.20 123.78 2kgk s ILE 61 Ca -0.05 -0.97 -0.18 0.00 -1.10 0.00 0.00 60.65 58.34 2kgk s ILE 61 Cb -0.15 -1.83 -0.05 0.00 -1.06 0.00 0.00 42.46 39.37 2kgk s ILE 61 CO 0.04 0.44 0.51 0.27 -0.10 0.00 0.00 174.94 176.10 2kgk s ILE 62 N 1.31 5.02 -0.19 2.92 -4.36 0.09 -0.97 121.20 125.02 2kgk s ILE 62 Ca 0.03 1.05 -0.17 0.00 -0.26 0.00 0.00 60.65 61.29 2kgk s ILE 62 Cb -0.14 -3.84 -0.04 0.00 1.25 0.00 0.00 42.46 39.70 2kgk s ILE 62 CO -0.11 0.43 0.46 -0.69 0.24 0.00 0.00 174.94 175.27 2kgk s VAL 63 N -0.17 5.16 -0.17 8.37 1.01 -0.65 -1.27 120.40 132.67 2kgk s VAL 63 Ca 0.27 0.86 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 2kgk s VAL 63 Cb -0.17 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.50 2kgk s VAL 63 CO 0.14 0.23 0.77 0.28 0.00 0.00 0.00 175.10 176.52 2kgk s THR 64 N 1.35 0.00 -0.35 3.92 -1.32 -0.40 -3.83 115.64 115.02 2kgk s THR 64 Ca 0.22 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.56 2kgk s THR 64 Cb -0.15 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.83 2kgk s THR 64 CO 0.09 0.00 0.33 0.00 -2.21 0.00 0.00 174.62 172.83 2kgk s ARG 65 N -0.40 3.51 0.00 7.08 1.70 -1.26 -4.41 118.95 125.17 2kgk s ARG 65 Ca -0.04 -0.51 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2kgk s ARG 65 Cb -0.03 -3.81 0.00 0.00 -0.57 0.00 0.00 34.95 30.54 2kgk s ARG 65 CO 0.04 -0.52 0.00 0.09 -1.08 0.00 0.00 175.30 173.83 2kgk n ASN 66 N 5.30 0.00 -4.64 -2.89 5.03 -1.26 -5.08 115.26 111.71 2kgk n ASN 66 Ca -0.10 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 54.92 2kgk n ASN 66 Cb 0.49 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.23 2kgk n ASN 66 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2kgk s GLU 67 N 0.00 4.00 0.00 3.52 2.02 -1.26 -2.28 118.70 124.70 2kgk s GLU 67 Ca 0.00 1.68 0.00 0.00 0.02 0.00 0.00 54.97 56.67 2kgk s GLU 67 Cb 0.00 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.30 2kgk s GLU 67 CO 0.00 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.66 2kgk n GLY 68 N 4.23 0.72 3.71 -1.39 0.00 -1.26 -5.07 105.19 106.13 2kgk n GLY 68 Ca 0.16 0.00 -0.42 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 -2.00 3.36 -0.17 1.61 5.04 -0.97 -5.01 117.35 119.22 2kgk s TYR 69 Ca 0.00 1.17 -0.09 0.00 -2.44 0.00 0.00 57.07 55.71 2kgk s TYR 69 Cb 0.00 -3.52 0.06 0.00 0.35 0.00 0.00 41.96 38.85 2kgk s TYR 69 CO 0.00 -1.70 0.40 -3.38 -1.34 0.00 0.00 175.55 169.53 2kgk s HIS 70 N 1.05 -0.59 -0.15 4.97 -3.43 -1.26 -4.90 115.29 110.99 2kgk s HIS 70 Ca 0.61 1.26 0.00 0.00 -0.80 0.00 0.00 55.06 56.13 2kgk s HIS 70 Cb -0.32 0.25 0.02 0.00 -1.43 0.00 0.00 32.58 31.10 2kgk s HIS 70 CO 0.30 -0.34 -0.14 0.08 -2.00 0.00 0.00 174.74 172.64 2kgk s VAL 71 N 1.40 1.58 -0.05 -5.38 1.01 -1.26 -5.09 120.40 112.61 2kgk s VAL 71 Ca -0.09 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 2kgk s VAL 71 Cb -0.09 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2kgk s VAL 71 CO -0.13 0.46 1.63 -1.61 0.00 0.00 0.00 175.10 175.45 2kgk s GLU 72 N 1.45 4.19 0.00 2.72 2.02 -1.26 -1.96 118.70 125.87 2kgk s GLU 72 Ca 0.04 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.20 2kgk s GLU 72 Cb -0.13 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.16 2kgk s GLU 72 CO -0.10 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.76 2kgk n GLY 73 N 4.08 2.88 3.17 -1.39 0.00 -1.26 -5.05 105.19 107.62 2kgk n GLY 73 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.11 4.01 -0.03 0.00 2.56 -0.86 -4.18 118.70 119.10 2kgk s GLU 75 Ca 0.03 0.59 -0.03 0.00 0.00 0.00 0.00 54.97 55.56 2kgk s GLU 75 Cb -0.08 -2.68 -0.04 0.00 2.00 0.00 0.00 34.13 33.33 2kgk s GLU 75 CO 0.01 0.31 0.16 0.08 -0.56 0.00 0.00 175.26 175.27 2kgk s VAL 76 N -1.74 5.37 0.08 3.70 1.01 -1.26 -0.73 120.40 126.82 2kgk s VAL 76 Ca 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 2kgk s VAL 76 Cb -0.13 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2kgk s VAL 76 CO 0.19 0.37 0.05 0.00 0.00 0.00 0.00 175.10 175.71 2kgk s ALA 77 N -1.27 0.45 0.80 5.51 0.00 -0.40 -4.89 121.76 121.97 2kgk s ALA 77 Ca 0.25 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 2kgk s ALA 77 Cb -0.12 0.49 0.09 0.00 0.00 0.00 0.00 23.12 23.57 2kgk s ALA 77 CO 0.16 -0.44 0.57 1.58 0.00 0.00 0.00 175.76 177.63 2kgk n HIS 78 N 0.01 -3.63 -0.17 0.00 -0.00 -1.26 -1.27 115.22 108.91 2kgk n HIS 78 Ca -0.12 -0.69 -0.19 0.00 0.46 0.00 0.00 57.72 57.19 2kgk n HIS 78 Cb 0.62 -0.43 0.18 0.00 -0.12 0.00 0.00 29.99 30.24 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 -3.21 -3.32 0.16 0.26 7.64 -1.26 -4.35 113.62 109.55 2kgk n SER 79 Ca 0.08 -0.54 0.19 0.00 1.01 0.00 0.00 58.87 59.61 2kgk n SER 79 Cb 0.28 -0.63 0.77 0.00 -1.01 0.00 0.00 64.21 63.62 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 -3.00 0.30 -0.09 0.44 3.04 -1.98 -1.08 116.25 113.87 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 0.82 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 2kgk h VAL 80 CO 0.15 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.38 2kgk h GLU 81 N 0.00 0.04 -0.04 4.17 5.08 -2.01 0.12 114.58 121.94 2kgk h GLU 81 Ca 0.14 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 2kgk h GLU 81 Cb 0.91 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2kgk h GLU 81 CO -0.00 0.03 -0.63 1.49 -1.00 0.00 0.00 179.01 178.89 2kgk h GLU 82 N 0.04 0.16 -0.22 2.33 4.57 -1.47 -3.08 114.58 116.91 2kgk h GLU 82 Ca 0.04 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 57.99 2kgk h GLU 82 Cb 0.05 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2kgk h GLU 82 CO -0.07 0.74 -0.34 0.28 -1.18 0.00 0.00 179.01 178.45 2kgk h VAL 83 N 0.12 1.29 -0.02 0.32 2.07 -1.15 -2.06 116.25 116.82 2kgk h VAL 83 Ca -0.01 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.11 2kgk h VAL 83 Cb 1.14 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 2kgk h VAL 83 CO 0.09 0.45 -0.27 0.15 0.02 0.00 0.00 177.57 178.01 2kgk h PHE 84 N 0.40 -0.74 -0.19 1.57 3.57 -0.68 -2.17 116.94 118.70 2kgk h PHE 84 Ca 0.05 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2kgk h PHE 84 Cb 0.79 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 2kgk h PHE 84 CO 0.03 -0.37 -0.20 1.05 -2.23 0.00 0.00 178.31 176.59 2kgk h GLU 85 N -0.41 0.48 -1.18 1.11 4.11 -1.63 -3.05 114.58 114.02 2kgk h GLU 85 Ca 0.07 -0.25 0.34 0.00 0.07 0.00 0.00 59.36 59.59 2kgk h GLU 85 Cb 0.50 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 2kgk h GLU 85 CO -0.25 0.83 0.85 1.25 0.07 0.00 0.00 179.01 181.75 2kgk h LEU 86 N 0.14 0.01 -0.55 3.06 7.12 -1.16 0.19 115.31 124.12 2kgk h LEU 86 Ca 0.03 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.09 2kgk h LEU 86 Cb 0.74 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.82 2kgk h LEU 86 CO 0.05 0.00 0.28 0.00 -0.13 0.00 0.00 178.44 178.64 2kgk n LYS 88 N -4.87 0.28 0.05 0.00 2.85 0.67 -1.55 118.16 115.58 2kgk n LYS 88 Ca 0.06 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.39 2kgk n LYS 88 Cb 0.15 -1.18 -0.07 0.00 -0.65 0.00 0.00 35.03 33.28 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 -0.68 0.60 -4.08 -5.58 2.85 0.31 -4.79 115.26 103.89 2kgk n ASN 89 Ca 0.02 0.24 -0.18 0.00 -0.11 0.00 0.00 54.58 54.56 2kgk n ASN 89 Cb 0.01 0.78 -0.13 0.00 1.24 0.00 0.00 39.78 41.68 2kgk n ASN 89 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2kgk s GLU 90 N -3.26 0.78 0.07 1.20 0.41 -0.59 -5.05 118.70 112.25 2kgk s GLU 90 Ca -0.03 -0.59 -0.23 0.00 -0.41 0.00 0.00 54.97 53.70 2kgk s GLU 90 Cb 0.10 -0.74 -0.15 0.00 -1.78 0.00 0.00 34.13 31.56 2kgk s GLU 90 CO 0.83 0.18 1.64 1.05 -0.49 0.00 0.00 175.26 178.48 2kgk h GLU 91 N 5.24 0.02 -4.68 1.61 4.11 -1.89 -3.36 114.58 115.63 2kgk h GLU 91 Ca -0.35 -0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.50 2kgk h GLU 91 Cb 1.18 -0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.08 2kgk h GLU 91 CO 0.46 0.12 -0.83 -1.21 0.07 0.00 0.00 179.01 177.61 2kgk s GLU 92 N -5.79 2.13 0.25 1.06 2.02 -1.26 -0.81 118.70 116.30 2kgk s GLU 92 Ca -0.14 -0.52 0.07 0.00 0.02 0.00 0.00 54.97 54.41 2kgk s GLU 92 Cb 0.05 -1.85 -0.05 0.00 0.10 0.00 0.00 34.13 32.38 2kgk s GLU 92 CO 0.67 -0.09 -0.10 0.96 0.02 0.00 0.00 175.26 176.71 2kgk s ILE 93 N 1.08 1.75 -0.15 -1.63 -4.36 -0.97 -4.82 121.20 112.10 2kgk s ILE 93 Ca -0.05 -2.18 0.01 0.00 -0.26 0.00 0.00 60.65 58.16 2kgk s ILE 93 Cb -0.15 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.31 2kgk s ILE 93 CO -0.03 -0.42 -0.15 -0.36 0.24 0.00 0.00 174.94 174.22 2kgk s PHE 94 N -2.95 2.21 -0.31 1.37 0.40 -1.04 -2.02 117.98 115.63 2kgk s PHE 94 Ca 0.27 -1.22 -0.07 0.00 -0.60 0.00 0.00 56.93 55.31 2kgk s PHE 94 Cb 0.01 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.96 2kgk s PHE 94 CO 0.10 -0.65 0.09 0.42 0.70 0.00 0.00 175.22 175.88 2kgk s ILE 95 N 1.38 3.92 -0.24 0.64 -1.09 0.65 -2.03 121.20 124.43 2kgk s ILE 95 Ca 0.03 -0.87 0.08 0.00 -2.23 0.00 0.00 60.65 57.66 2kgk s ILE 95 Cb -0.13 -3.10 -0.20 0.00 -1.58 0.00 0.00 42.46 37.45 2kgk s ILE 95 CO -0.09 -0.03 -0.12 0.49 -1.23 0.00 0.00 174.94 173.95 2kgk n PHE 96 N 4.85 0.00 0.00 3.97 3.01 0.27 -2.27 117.46 127.30 2kgk n PHE 96 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 2kgk n PHE 96 Cb 0.47 -0.99 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 2kgk n PHE 96 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kgk n GLY 97 N 2.09 0.39 0.00 1.37 0.00 -0.62 -4.77 105.19 103.66 2kgk n GLY 97 Ca -0.41 0.44 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 0.00 -0.71 0.21 -0.02 0.00 -1.26 -1.91 105.19 101.50 2kgk n GLY 98 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.64 -0.72 4.61 0.00 -2.00 -1.95 119.26 118.57 2kgk h ALA 99 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2kgk h ALA 99 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2kgk h ALA 99 CO 0.00 -0.61 0.32 -0.56 0.00 0.00 0.00 179.25 178.40 2kgk h GLN 100 N -0.86 1.05 -0.45 0.00 3.07 -1.99 -2.20 115.11 113.74 2kgk h GLN 100 Ca -0.05 -0.17 0.03 0.00 0.09 0.00 0.00 58.65 58.54 2kgk h GLN 100 Cb 0.38 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.74 2kgk h GLN 100 CO 0.08 0.85 0.30 0.82 0.09 0.00 0.00 178.83 180.97 2kgk h ILE 101 N 1.01 1.06 -0.18 1.86 1.08 -1.92 -0.13 117.51 120.28 2kgk h ILE 101 Ca 0.24 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.49 2kgk h ILE 101 Cb 0.16 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 2kgk h ILE 101 CO -0.03 0.09 -0.04 0.22 -0.69 0.00 0.00 178.15 177.71 2kgk h TYR 102 N 0.52 0.39 -0.48 1.37 3.20 -0.73 -1.73 116.97 119.51 2kgk h TYR 102 Ca 0.18 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 2kgk h TYR 102 Cb 0.08 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2kgk h TYR 102 CO -0.00 0.61 0.05 0.22 -1.64 0.00 0.00 178.16 177.40 2kgk h ASP 103 N 0.06 0.78 0.38 -2.11 3.58 -1.05 0.93 116.42 118.99 2kgk h ASP 103 Ca 0.05 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 2kgk h ASP 103 Cb 0.48 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2kgk h ASP 103 CO 0.02 0.86 -0.17 -0.07 -2.88 0.00 0.00 179.24 177.00 2kgk h LEU 104 N 0.67 0.00 -3.05 2.28 3.38 -1.03 -2.43 115.31 115.13 2kgk h LEU 104 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kgk h LEU 104 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kgk h LEU 104 CO 0.01 0.17 0.00 0.33 0.09 0.00 0.00 178.44 179.04 2kgk n PHE 105 N -3.77 0.43 0.06 1.13 7.35 -0.66 -4.63 117.46 117.38 2kgk n PHE 105 Ca -0.02 -0.73 -0.03 0.00 -0.76 0.00 0.00 57.45 55.91 2kgk n PHE 105 Cb 0.27 -0.15 0.21 0.00 0.35 0.00 0.00 39.48 40.16 2kgk n PHE 105 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2kgk h LEU 106 N 1.13 0.36 -0.83 -2.13 6.46 0.14 -1.25 115.31 119.19 2kgk h LEU 106 Ca 0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2kgk h LEU 106 Cb 0.98 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 2kgk h LEU 106 CO 0.07 0.69 0.00 -0.81 -0.62 0.00 0.00 178.44 177.77 2kgk n PRO 107 N -4.07 1.57 -0.08 5.25 -0.04 -1.26 -4.00 135.00 132.37 2kgk n PRO 107 Ca -0.01 -0.83 -0.12 0.00 -0.04 0.00 0.00 63.50 62.50 2kgk n PRO 107 Cb 0.45 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.02 0.00 -2.12 0.54 4.01 -1.00 -5.00 117.16 113.61 2kgk n TYR 108 Ca 0.19 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.56 2kgk n TYR 108 Cb 0.31 -0.66 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 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 -2.34 2.80 -0.26 -0.72 0.11 -0.51 -4.97 120.40 114.51 2kgk s VAL 109 Ca -0.22 0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 59.42 2kgk s VAL 109 Cb 0.06 -3.31 -0.16 0.00 -1.53 0.00 0.00 36.38 31.44 2kgk s VAL 109 CO 0.41 0.00 -0.26 -0.67 -3.33 0.00 0.00 175.10 171.25 2kgk n ASP 110 N -0.58 1.98 -4.55 3.54 2.03 -0.89 -4.81 116.55 113.26 2kgk n ASP 110 Ca 0.08 -0.03 -0.36 0.00 0.52 0.00 0.00 54.79 55.00 2kgk n ASP 110 Cb 0.47 -0.50 -0.11 0.00 -0.72 0.00 0.00 41.12 40.25 2kgk n ASP 110 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kgk s LYS 111 N -2.52 3.83 -0.22 -0.67 3.01 -0.32 -1.79 119.74 121.06 2kgk s LYS 111 Ca -0.36 -0.40 0.02 0.00 -1.01 0.00 0.00 55.97 54.22 2kgk s LYS 111 Cb 0.10 -3.29 0.05 0.00 -1.01 0.00 0.00 37.83 33.68 2kgk s LYS 111 CO 0.58 0.04 -0.13 -1.17 0.51 0.00 0.00 175.35 175.18 2kgk s LEU 112 N 1.00 2.82 -0.18 3.17 2.96 0.05 0.82 118.68 129.32 2kgk s LEU 112 Ca 0.04 -1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 52.83 2kgk s LEU 112 Cb -0.14 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 2kgk s LEU 112 CO 0.03 -0.13 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.58 2kgk s TYR 113 N 1.23 2.99 -0.02 5.38 2.02 0.07 -0.12 117.35 128.90 2kgk s TYR 113 Ca -0.04 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 2kgk s TYR 113 Cb -0.17 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 2kgk s TYR 113 CO -0.08 -0.25 -0.03 0.42 -1.57 0.00 0.00 175.55 174.05 2kgk s ILE 114 N 0.85 0.29 -0.12 2.71 1.09 -0.85 -1.87 121.20 123.30 2kgk s ILE 114 Ca -0.01 -0.08 -0.01 0.00 -1.10 0.00 0.00 60.65 59.45 2kgk s ILE 114 Cb -0.15 -0.30 -0.02 0.00 -1.06 0.00 0.00 42.46 40.93 2kgk s ILE 114 CO 0.02 0.12 -0.09 0.28 -0.10 0.00 0.00 174.94 175.17 2kgk s THR 115 N 0.38 3.44 -0.06 2.92 -1.32 -1.05 -1.50 115.64 118.46 2kgk s THR 115 Ca -0.04 -0.54 -0.18 0.00 -1.21 0.00 0.00 61.69 59.73 2kgk s THR 115 Cb -0.07 -2.45 -0.05 0.00 -1.51 0.00 0.00 72.50 68.42 2kgk s THR 115 CO -0.01 0.53 0.49 -0.75 -2.21 0.00 0.00 174.62 172.68 2kgk s LYS 116 N 0.03 4.23 -0.10 7.08 2.47 0.21 0.25 119.74 133.91 2kgk s LYS 116 Ca -0.02 0.51 -0.00 0.00 -1.56 0.00 0.00 55.97 54.89 2kgk s LYS 116 Cb -0.14 -3.36 -0.03 0.00 -1.46 0.00 0.00 37.83 32.85 2kgk s LYS 116 CO 0.04 0.34 -0.08 0.42 0.16 0.00 0.00 175.35 176.23 2kgk s ILE 117 N -0.01 3.57 -0.58 5.43 -1.09 0.73 -0.59 121.20 128.66 2kgk s ILE 117 Ca 0.26 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 2kgk s ILE 117 Cb -0.16 -2.49 0.50 0.00 -1.58 0.00 0.00 42.46 38.72 2kgk s ILE 117 CO 0.13 0.56 1.94 1.57 -1.23 0.00 0.00 174.94 177.90 2kgk n HIS 118 N 2.84 3.10 -3.32 3.97 -0.00 -0.62 -2.10 115.22 119.08 2kgk n HIS 118 Ca -0.18 -2.68 0.03 0.00 0.46 0.00 0.00 57.72 55.35 2kgk n HIS 118 Cb 0.53 -1.24 -0.03 0.00 -0.12 0.00 0.00 29.99 29.12 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 -3.68 -0.71 -0.28 1.57 5.65 -1.26 -4.70 115.29 111.87 2kgk s HIS 119 Ca 0.62 1.06 -0.23 0.00 0.25 0.00 0.00 55.06 56.76 2kgk s HIS 119 Cb 0.49 0.36 0.12 0.00 -1.18 0.00 0.00 32.58 32.38 2kgk s HIS 119 CO 0.02 -0.37 0.97 0.00 -0.65 0.00 0.00 174.74 174.72 2kgk s ALA 120 N 2.60 -2.01 -0.21 1.58 0.00 -1.26 -4.80 121.76 117.65 2kgk s ALA 120 Ca -0.00 1.99 -0.18 0.00 0.00 0.00 0.00 51.96 53.78 2kgk s ALA 120 Cb -0.08 -1.47 0.06 0.00 0.00 0.00 0.00 23.12 21.63 2kgk s ALA 120 CO -0.16 -0.28 0.56 0.12 0.00 0.00 0.00 175.76 176.00 2kgk s PHE 121 N 0.56 -0.67 -0.05 0.00 5.36 -1.26 -4.62 117.98 117.29 2kgk s PHE 121 Ca -0.00 1.56 -0.03 0.00 -0.96 0.00 0.00 56.93 57.49 2kgk s PHE 121 Cb -0.05 0.28 0.01 0.00 -0.34 0.00 0.00 43.02 42.92 2kgk s PHE 121 CO -0.08 -0.33 0.05 0.39 -1.46 0.00 0.00 175.22 173.79 2kgk n GLU 122 N 3.20 -1.95 0.00 10.12 1.02 -1.26 -4.66 120.64 127.11 2kgk n GLU 122 Ca -0.16 1.71 0.00 0.00 -0.02 0.00 0.00 57.16 58.69 2kgk n GLU 122 Cb 0.56 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 2.17 5.84 0.00 0.62 0.00 -0.72 -3.93 105.19 109.18 2kgk n GLY 123 Ca -0.09 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2kgk n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kgk n ASP 124 N 0.00 2.41 -3.58 1.61 5.75 0.01 -4.75 116.55 117.99 2kgk n ASP 124 Ca 0.00 -0.24 -0.27 0.00 -0.01 0.00 0.00 54.79 54.27 2kgk n ASP 124 Cb 0.00 0.96 -0.16 0.00 -1.03 0.00 0.00 41.12 40.89 2kgk n ASP 124 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2kgk s THR 125 N -1.44 -0.08 -0.03 2.12 2.01 -1.01 -4.94 115.64 112.27 2kgk s THR 125 Ca 0.00 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2kgk s THR 125 Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 2kgk s THR 125 CO 0.00 -0.46 -0.15 0.72 -0.69 0.00 0.00 174.62 174.04 2kgk s PHE 126 N 2.12 2.67 -0.28 4.92 -0.71 -1.26 -2.06 117.98 123.38 2kgk s PHE 126 Ca 0.05 -0.18 -0.20 0.00 -1.04 0.00 0.00 56.93 55.55 2kgk s PHE 126 Cb -0.16 -1.59 0.11 0.00 -1.21 0.00 0.00 43.02 40.17 2kgk s PHE 126 CO -0.20 0.20 0.89 0.12 -1.34 0.00 0.00 175.22 174.89 2kgk s PHE 127 N -0.78 -0.68 0.04 3.49 5.36 -0.25 -4.84 117.98 120.33 2kgk s PHE 127 Ca 0.12 1.48 -0.01 0.00 -0.96 0.00 0.00 56.93 57.57 2kgk s PHE 127 Cb -0.11 0.40 0.01 0.00 -0.34 0.00 0.00 43.02 42.98 2kgk s PHE 127 CO 0.02 -0.33 0.04 -0.35 -1.46 0.00 0.00 175.22 173.14 2kgk n PRO 128 N 3.17 -0.96 -3.71 10.12 -0.04 -1.26 -4.45 135.00 137.88 2kgk n PRO 128 Ca -0.16 -0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.14 2kgk n PRO 128 Cb 0.57 -0.06 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 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 -3.09 1.04 0.00 0.54 -1.05 -1.26 -5.06 118.70 109.81 2kgk s GLU 129 Ca 0.03 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 2kgk s GLU 129 Cb -0.00 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 2kgk s GLU 129 CO 0.02 -0.39 0.00 0.00 0.95 0.00 0.00 175.26 175.84 2kgk n MET 130 N -0.19 0.00 -1.73 -4.83 0.00 -1.26 -5.14 117.12 103.97 2kgk n MET 130 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.16 2kgk n MET 130 Cb 0.63 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.89 2kgk n MET 130 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2kgk n ASP 131 N -0.23 2.57 -2.24 3.17 2.03 -1.26 -4.95 116.55 115.64 2kgk n ASP 131 Ca 0.00 0.99 0.01 0.00 0.52 0.00 0.00 54.79 56.31 2kgk n ASP 131 Cb 0.00 -1.56 0.04 0.00 -0.72 0.00 0.00 41.12 38.88 2kgk n ASP 131 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2kgk n MET 132 N -0.87 0.98 0.01 -0.67 2.81 -1.26 -4.88 117.12 113.24 2kgk n MET 132 Ca 0.10 -2.73 0.00 0.00 -1.81 0.00 0.00 57.70 53.26 2kgk n MET 132 Cb 0.44 -0.82 0.01 0.00 -0.71 0.00 0.00 33.22 32.15 2kgk n MET 132 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2kgk n THR 133 N -0.19 1.01 0.31 2.03 5.66 -1.26 -0.09 114.28 121.76 2kgk n THR 133 Ca 0.04 0.51 0.16 0.00 -3.05 0.00 0.00 64.05 61.71 2kgk n THR 133 Cb 0.94 -1.51 0.70 0.00 -1.55 0.00 0.00 70.33 68.91 2kgk n THR 133 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2kgk h ASN 134 N 0.00 0.00 -1.81 1.09 4.21 -2.02 -3.43 115.58 113.62 2kgk h ASN 134 Ca 0.00 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.92 2kgk h ASN 134 Cb 0.49 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.59 2kgk h ASN 134 CO 0.00 0.00 -0.59 0.26 -1.29 0.00 0.00 177.43 175.81 2kgk s TRP 135 N -3.62 2.55 -0.13 1.19 0.52 0.88 -4.87 118.94 115.46 2kgk s TRP 135 Ca 0.01 -0.51 0.02 0.00 0.02 0.00 0.00 56.10 55.64 2kgk s TRP 135 Cb 0.09 -1.63 -0.00 0.00 -1.15 0.00 0.00 33.47 30.78 2kgk s TRP 135 CO 0.42 0.42 -0.19 0.21 0.02 0.00 0.00 176.95 177.83 2kgk s LYS 136 N -3.75 3.14 -0.18 4.98 2.36 -1.07 -4.99 119.74 120.23 2kgk s LYS 136 Ca 0.36 -0.81 -0.29 0.00 -2.55 0.00 0.00 55.97 52.68 2kgk s LYS 136 Cb 0.03 -2.47 -0.02 0.00 -1.05 0.00 0.00 37.83 34.31 2kgk s LYS 136 CO 0.20 0.09 1.34 -1.83 1.55 0.00 0.00 175.35 176.70 2kgk s GLU 137 N 0.59 4.13 -0.25 4.03 -1.05 -1.26 -1.50 118.70 123.40 2kgk s GLU 137 Ca -0.11 1.64 -0.00 0.00 -0.15 0.00 0.00 54.97 56.35 2kgk s GLU 137 Cb -0.16 -3.83 -0.18 0.00 -0.44 0.00 0.00 34.13 29.52 2kgk s GLU 137 CO 0.03 -0.85 -0.17 0.28 0.95 0.00 0.00 175.26 175.50 2kgk n VAL 138 N 5.62 1.52 -3.66 1.83 0.31 -0.86 -4.96 118.33 118.13 2kgk n VAL 138 Ca 0.15 -0.56 -0.12 0.00 -0.01 0.00 0.00 64.34 63.79 2kgk n VAL 138 Cb 0.45 -1.49 -0.08 0.00 -0.91 0.00 0.00 33.84 31.81 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 -2.52 -0.76 -0.01 3.52 2.19 -1.23 -5.04 117.98 114.13 2kgk s PHE 139 Ca -0.34 1.74 0.02 0.00 0.33 0.00 0.00 56.93 58.68 2kgk s PHE 139 Cb 0.09 0.32 -0.00 0.00 -1.31 0.00 0.00 43.02 42.12 2kgk s PHE 139 CO 0.61 -0.37 -0.07 0.54 1.83 0.00 0.00 175.22 177.76 2kgk s VAL 140 N 0.69 0.60 0.08 3.12 0.11 -1.26 0.30 120.40 124.03 2kgk s VAL 140 Ca -0.03 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 2kgk s VAL 140 Cb -0.05 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2kgk s VAL 140 CO -0.05 0.18 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.14 2kgk s GLU 141 N -0.02 0.72 0.53 1.54 2.12 0.26 -5.00 118.70 118.85 2kgk s GLU 141 Ca 0.01 -1.20 0.04 0.00 0.36 0.00 0.00 54.97 54.18 2kgk s GLU 141 Cb -0.05 -0.12 0.04 0.00 0.26 0.00 0.00 34.13 34.27 2kgk s GLU 141 CO -0.00 -0.03 0.74 -1.59 -0.54 0.00 0.00 175.26 173.84 2kgk s LYS 142 N -3.43 2.49 0.00 4.30 0.00 -1.26 0.76 119.74 122.61 2kgk s LYS 142 Ca 0.07 -1.07 0.00 0.00 0.00 0.00 0.00 55.97 54.96 2kgk s LYS 142 Cb 0.03 -2.57 0.00 0.00 0.00 0.00 0.00 37.83 35.29 2kgk s LYS 142 CO -0.05 -0.69 0.00 0.41 0.00 0.00 0.00 175.35 175.02 2kgk n GLY 143 N -2.24 4.40 3.58 0.59 0.00 0.30 -4.56 105.19 107.27 2kgk n GLY 143 Ca 0.10 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 2kgk n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kgk s LEU 144 N 0.00 -0.37 0.28 0.99 2.96 -1.26 -4.86 118.68 116.42 2kgk s LEU 144 Ca 0.00 0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 54.26 2kgk s LEU 144 Cb 0.00 1.85 -0.06 0.00 0.50 0.00 0.00 46.19 48.48 2kgk s LEU 144 CO 0.00 -0.33 0.59 0.28 -1.32 0.00 0.00 176.35 175.57 2kgk s THR 145 N -1.01 4.95 0.35 3.68 -1.32 -1.22 -4.79 115.64 116.27 2kgk s THR 145 Ca -0.01 0.32 0.01 0.00 -1.21 0.00 0.00 61.69 60.79 2kgk s THR 145 Cb -0.01 -3.69 -0.01 0.00 -1.51 0.00 0.00 72.50 67.29 2kgk s THR 145 CO 0.01 -0.25 0.42 -1.81 -2.21 0.00 0.00 174.62 170.78 2kgk s ASP 146 N -2.84 1.21 -0.03 8.08 1.11 -0.71 -4.94 116.67 118.55 2kgk s ASP 146 Ca 0.47 -1.59 -0.25 0.00 0.18 0.00 0.00 52.55 51.35 2kgk s ASP 146 Cb -0.11 0.64 -0.21 0.00 1.07 0.00 0.00 42.92 44.32 2kgk s ASP 146 CO 0.27 -1.24 1.18 -0.08 1.18 0.00 0.00 175.17 176.47 2kgk h GLU 147 N 2.10 0.09 0.00 8.23 4.81 -1.99 -0.63 114.58 127.19 2kgk h GLU 147 Ca -0.27 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2kgk h GLU 147 Cb 1.24 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2kgk h GLU 147 CO 0.38 0.67 0.00 0.36 -0.73 0.00 0.00 179.01 179.69 2kgk n LYS 148 N -4.71 0.14 -2.76 1.92 2.85 -1.26 -4.03 118.16 110.31 2kgk n LYS 148 Ca -0.08 0.19 -0.05 0.00 -1.05 0.00 0.00 58.31 57.32 2kgk n LYS 148 Cb 0.34 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.24 2kgk n LYS 148 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2kgk n ASN 149 N -1.36 -3.36 -4.30 -5.58 0.23 -1.13 -5.04 115.26 94.72 2kgk n ASN 149 Ca 0.06 -2.95 -0.38 0.00 -0.53 0.00 0.00 54.58 50.78 2kgk n ASN 149 Cb 0.13 1.76 -0.03 0.00 -2.08 0.00 0.00 39.78 39.56 2kgk n ASN 149 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2kgk n PRO 150 N 2.75 2.38 -3.62 -0.53 -0.04 -0.26 -1.74 135.00 133.94 2kgk n PRO 150 Ca 0.17 -2.70 -0.10 0.00 -0.04 0.00 0.00 63.50 60.83 2kgk n PRO 150 Cb 0.57 -3.45 -0.03 0.00 -0.04 0.00 0.00 33.50 30.55 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 6.37 -0.31 0.09 0.54 2.02 -1.26 -4.94 117.35 119.85 2kgk s TYR 151 Ca 0.58 0.00 0.07 0.00 -0.37 0.00 0.00 57.07 57.35 2kgk s TYR 151 Cb 0.06 0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 42.10 2kgk s TYR 151 CO 0.08 -0.94 -0.11 0.99 -1.57 0.00 0.00 175.55 174.00 2kgk s THR 152 N -3.83 3.33 0.34 -0.71 2.01 -1.26 -3.44 115.64 112.08 2kgk s THR 152 Ca 0.06 -1.23 -0.14 0.00 0.31 0.00 0.00 61.69 60.69 2kgk s THR 152 Cb -0.02 -2.54 0.03 0.00 0.01 0.00 0.00 72.50 69.99 2kgk s THR 152 CO -0.06 0.15 0.68 -0.72 -0.69 0.00 0.00 174.62 173.99 2kgk s TYR 153 N -1.17 0.28 -0.00 4.92 1.13 -1.26 -1.59 117.35 119.65 2kgk s TYR 153 Ca 0.20 -0.80 -0.03 0.00 -1.41 0.00 0.00 57.07 55.04 2kgk s TYR 153 Cb -0.11 0.56 -0.00 0.00 -1.10 0.00 0.00 41.96 41.31 2kgk s TYR 153 CO 0.12 -1.37 0.05 0.71 -2.51 0.00 0.00 175.55 172.55 2kgk s TYR 154 N -2.92 0.08 -0.19 -3.49 2.02 0.25 -0.54 117.35 112.55 2kgk s TYR 154 Ca 0.18 -0.15 -0.04 0.00 -0.37 0.00 0.00 57.07 56.69 2kgk s TYR 154 Cb -0.04 -0.07 -0.02 0.00 -0.40 0.00 0.00 41.96 41.43 2kgk s TYR 154 CO 0.12 -0.15 -0.04 -0.47 -1.57 0.00 0.00 175.55 173.45 2kgk s TYR 155 N -0.84 2.98 -0.01 2.71 5.04 0.23 0.64 117.35 128.10 2kgk s TYR 155 Ca -0.09 -0.62 0.07 0.00 -2.44 0.00 0.00 57.07 53.98 2kgk s TYR 155 Cb -0.06 -2.05 -0.02 0.00 0.35 0.00 0.00 41.96 40.19 2kgk s TYR 155 CO 0.00 -0.32 -0.21 -1.58 -1.34 0.00 0.00 175.55 172.10 2kgk s HIS 156 N 1.01 1.92 -0.12 4.97 5.65 -0.56 0.89 115.29 129.04 2kgk s HIS 156 Ca 0.01 -0.36 0.02 0.00 0.25 0.00 0.00 55.06 54.97 2kgk s HIS 156 Cb -0.15 -1.23 -0.00 0.00 -1.18 0.00 0.00 32.58 30.01 2kgk s HIS 156 CO 0.01 -0.03 -0.18 0.08 -0.65 0.00 0.00 174.74 173.97 2kgk s VAL 157 N -0.51 2.53 0.02 0.89 1.01 0.15 -2.01 120.40 122.47 2kgk s VAL 157 Ca 0.08 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2kgk s VAL 157 Cb -0.08 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2kgk s VAL 157 CO -0.01 0.54 -0.24 -0.31 0.00 0.00 0.00 175.10 175.08 2kgk s TYR 158 N 0.47 2.39 0.07 5.22 1.51 0.83 -2.02 117.35 125.82 2kgk s TYR 158 Ca -0.13 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.61 2kgk s TYR 158 Cb -0.17 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 2kgk s TYR 158 CO 0.05 0.10 -0.15 -1.21 -1.11 0.00 0.00 175.55 173.23 2kgk s GLU 159 N -1.05 0.87 0.16 -0.62 2.02 -0.56 -0.77 118.70 118.75 2kgk s GLU 159 Ca 0.12 -0.97 -0.09 0.00 0.02 0.00 0.00 54.97 54.05 2kgk s GLU 159 Cb -0.10 -0.92 -0.06 0.00 0.10 0.00 0.00 34.13 33.15 2kgk s GLU 159 CO 0.02 0.21 0.47 0.15 0.02 0.00 0.00 175.26 176.12 2kgk s LYS 160 N -1.71 3.77 -0.37 1.61 -0.14 -0.74 -2.61 119.74 119.55 2kgk s LYS 160 Ca -0.01 0.19 -0.07 0.00 -1.36 0.00 0.00 55.97 54.73 2kgk s LYS 160 Cb -0.10 -2.83 -0.22 0.00 -1.68 0.00 0.00 37.83 33.01 2kgk s LYS 160 CO 0.02 0.44 3.35 0.00 -0.76 0.00 0.00 175.35 178.40 2kgk n GLN 161 N 0.32 2.31 0.00 1.68 0.00 -1.26 -5.01 117.38 115.41 2kgk n GLN 161 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 57.00 55.73 2kgk n GLN 161 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 30.24 28.59 2kgk n GLN 161 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10