#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 1.83 -0.22 2.02 1.01 -0.75 -5.03 121.20 120.05 2kgk s ILE 2 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 2kgk s ILE 2 Cb 0.00 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.83 2kgk s ILE 2 CO 0.00 0.50 -0.09 0.68 0.00 0.00 0.00 174.94 176.04 2kgk s VAL 3 N 1.09 2.87 0.12 2.92 -7.23 -1.26 -2.09 120.40 116.82 2kgk s VAL 3 Ca -0.02 -0.81 0.09 0.00 -1.81 0.00 0.00 61.98 59.44 2kgk s VAL 3 Cb -0.14 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2kgk s VAL 3 CO -0.06 0.36 -0.19 -0.44 -0.31 0.00 0.00 175.10 174.46 2kgk s SER 4 N 1.37 3.82 -0.02 4.85 0.01 -0.56 0.12 113.70 123.30 2kgk s SER 4 Ca 0.03 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.73 2kgk s SER 4 Cb -0.15 -0.51 -0.00 0.00 0.21 0.00 0.00 66.02 65.57 2kgk s SER 4 CO -0.06 0.17 -0.10 0.12 0.41 0.00 0.00 173.24 173.79 2kgk s PHE 5 N -1.18 0.96 -0.26 2.43 2.19 -0.66 -0.94 117.98 120.52 2kgk s PHE 5 Ca 0.18 -0.22 -0.01 0.00 0.33 0.00 0.00 56.93 57.21 2kgk s PHE 5 Cb -0.10 -0.66 0.03 0.00 -1.31 0.00 0.00 43.02 40.98 2kgk s PHE 5 CO 0.10 -0.07 -0.06 1.41 1.83 0.00 0.00 175.22 178.43 2kgk s MET 6 N 0.02 2.72 0.01 10.12 -2.45 -0.90 -1.68 119.30 127.14 2kgk s MET 6 Ca -0.00 -1.06 0.00 0.00 -1.25 0.00 0.00 55.69 53.38 2kgk s MET 6 Cb -0.07 -3.01 -0.01 0.00 1.25 0.00 0.00 34.83 32.99 2kgk s MET 6 CO 0.00 -0.45 -0.02 0.54 1.05 0.00 0.00 175.02 176.14 2kgk s VAL 7 N 1.30 0.12 0.37 10.11 0.11 -0.93 -4.69 120.40 126.78 2kgk s VAL 7 Ca -0.01 -0.46 0.05 0.00 -2.93 0.00 0.00 61.98 58.63 2kgk s VAL 7 Cb -0.17 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2kgk s VAL 7 CO -0.04 -0.21 0.52 0.00 -3.33 0.00 0.00 175.10 172.04 2kgk s ALA 8 N -0.68 4.11 -0.19 1.54 0.00 -1.26 -2.48 121.76 122.79 2kgk s ALA 8 Ca -0.07 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 2kgk s ALA 8 Cb -0.05 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.34 2kgk s ALA 8 CO -0.00 -0.13 0.10 1.41 0.00 0.00 0.00 175.76 177.14 2kgk s MET 9 N -4.28 0.08 0.06 0.00 1.75 0.15 -4.49 119.30 112.58 2kgk s MET 9 Ca 0.46 -0.13 -0.29 0.00 -1.25 0.00 0.00 55.69 54.49 2kgk s MET 9 Cb -0.10 -1.71 -0.05 0.00 2.84 0.00 0.00 34.83 35.82 2kgk s MET 9 CO 0.33 -0.72 0.91 -0.51 -0.65 0.00 0.00 175.02 174.38 2kgk s ASP 10 N 2.14 7.37 0.53 1.11 1.01 -0.90 -1.68 116.67 126.25 2kgk s ASP 10 Ca 0.03 1.65 0.28 0.00 0.71 0.00 0.00 52.55 55.22 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 -0.13 -0.11 1.92 1.05 0.21 0.00 0.00 175.17 178.12 2kgk h GLU 11 N 6.01 0.03 -0.00 8.23 4.11 -1.75 -1.71 114.58 129.51 2kgk h GLU 11 Ca -0.42 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kgk h GLU 11 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kgk h GLU 11 CO 0.73 0.02 -0.21 0.09 0.07 0.00 0.00 179.01 179.71 2kgk n ASN 12 N -4.32 0.33 0.00 3.06 3.02 -1.26 -5.01 115.26 111.08 2kgk n ASN 12 Ca 0.16 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2kgk n ASN 12 Cb 0.82 0.91 0.00 0.00 -0.61 0.00 0.00 39.78 40.90 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 -0.99 0.00 0.00 3.52 1.74 -0.64 -4.71 116.66 115.58 2kgk n ARG 13 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2kgk n ARG 13 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 2kgk n ARG 13 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2kgk n VAL 14 N 0.00 0.00 0.00 1.55 3.14 -1.21 -2.13 118.33 119.68 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 -1.51 0.00 -0.60 1.55 -5.35 -1.14 -2.11 119.36 110.21 2kgk n ILE 15 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.42 2kgk n ILE 15 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.83 2kgk n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kgk n GLY 16 N -0.44 -0.14 0.00 3.28 0.00 -1.20 -4.59 105.19 102.09 2kgk n GLY 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kgk n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kgk n LYS 17 N 2.35 0.00 -3.74 1.61 4.81 0.74 0.22 118.16 124.14 2kgk n LYS 17 Ca 0.20 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.34 2kgk n LYS 17 Cb 0.13 -0.50 -0.14 0.00 0.02 0.00 0.00 35.03 34.53 2kgk n LYS 17 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2kgk s ASP 18 N -1.32 3.90 -0.98 3.14 2.15 -1.26 -1.23 116.67 121.08 2kgk s ASP 18 Ca 0.00 -2.15 0.00 0.00 0.43 0.00 0.00 52.55 50.83 2kgk s ASP 18 Cb 0.00 -1.00 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 2kgk s ASP 18 CO 0.00 -0.34 0.00 -0.46 -0.17 0.00 0.00 175.17 174.20 2kgk n ASN 19 N 4.18 -2.48 -3.61 -0.34 6.94 -1.26 -4.74 115.26 113.95 2kgk n ASN 19 Ca 0.04 0.23 0.04 0.00 -0.02 0.00 0.00 54.58 54.86 2kgk n ASN 19 Cb 0.38 -2.45 0.00 0.00 -2.36 0.00 0.00 39.78 35.35 2kgk n ASN 19 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2kgk s ASN 20 N -1.78 -0.01 0.32 0.53 2.47 -1.26 -4.36 114.94 110.85 2kgk s ASN 20 Ca 0.00 -0.03 -0.06 0.00 0.42 0.00 0.00 52.86 53.19 2kgk s ASN 20 Cb 0.00 0.04 -0.05 0.00 -1.45 0.00 0.00 41.25 39.78 2kgk s ASN 20 CO 0.00 -0.07 0.60 -0.76 -3.72 0.00 0.00 177.10 173.15 2kgk s LEU 21 N -3.09 4.00 0.00 3.21 2.01 -1.26 -0.19 118.68 123.36 2kgk s LEU 21 Ca 0.16 0.78 0.00 0.00 0.01 0.00 0.00 54.13 55.08 2kgk s LEU 21 Cb 0.07 -3.61 0.00 0.00 0.01 0.00 0.00 46.19 42.65 2kgk s LEU 21 CO -0.06 -0.25 0.00 -0.81 1.01 0.00 0.00 176.35 176.24 2kgk n PRO 22 N -1.10 -0.14 -3.71 1.29 -0.04 -1.26 -4.89 135.00 125.15 2kgk n PRO 22 Ca -0.01 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 2kgk n PRO 22 Cb 0.54 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.88 2kgk n PRO 22 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kgk s TRP 23 N -0.61 -0.47 -0.71 0.54 0.51 -1.26 -5.10 118.94 111.84 2kgk s TRP 23 Ca 0.00 1.05 -0.17 0.00 -2.12 0.00 0.00 56.10 54.86 2kgk s TRP 23 Cb 0.00 0.17 0.15 0.00 -0.81 0.00 0.00 33.47 32.97 2kgk s TRP 23 CO 0.00 -0.28 0.76 -0.98 -0.51 0.00 0.00 176.95 175.93 2kgk s ARG 24 N 1.22 3.29 0.15 4.98 1.70 -1.26 -4.81 118.95 124.22 2kgk s ARG 24 Ca -0.08 -1.80 0.00 0.00 -0.47 0.00 0.00 55.73 53.37 2kgk s ARG 24 Cb -0.09 -4.43 0.00 0.00 -0.57 0.00 0.00 34.95 29.87 2kgk s ARG 24 CO -0.10 -1.47 0.00 1.28 -1.08 0.00 0.00 175.30 173.93 2kgk n LEU 25 N 5.47 -6.36 0.30 -1.89 4.77 -1.26 -4.23 117.00 113.80 2kgk n LEU 25 Ca 0.02 3.19 0.16 0.00 -0.03 0.00 0.00 56.01 59.35 2kgk n LEU 25 Cb 0.44 -3.23 0.94 0.00 -2.33 0.00 0.00 43.42 39.24 2kgk n LEU 25 CO 0.49 -2.21 1.11 1.55 -1.33 0.00 0.00 177.39 177.00 2kgk h PRO 26 N 4.38 0.00 -0.31 3.23 0.13 -1.96 -1.41 132.00 136.05 2kgk h PRO 26 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 2kgk h PRO 26 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kgk h PRO 26 CO 0.00 0.02 -0.39 1.03 -0.23 0.00 0.00 178.00 178.43 2kgk h SER 27 N 0.00 0.88 -0.49 1.44 0.87 -2.00 -2.79 113.55 111.46 2kgk h SER 27 Ca -0.00 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 2kgk h SER 27 Cb 0.05 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2kgk h SER 27 CO 0.00 1.20 0.28 -0.08 -0.53 0.00 0.00 176.83 177.70 2kgk h GLU 28 N 0.59 0.67 -0.49 2.24 4.22 -1.44 -1.23 114.58 119.14 2kgk h GLU 28 Ca 0.04 -0.07 0.10 0.00 0.08 0.00 0.00 59.36 59.51 2kgk h GLU 28 Cb 0.98 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2kgk h GLU 28 CO 0.09 0.51 0.34 1.25 -2.18 0.00 0.00 179.01 179.01 2kgk h LEU 29 N 0.65 0.22 -0.05 1.64 6.46 -1.43 -1.22 115.31 121.58 2kgk h LEU 29 Ca 0.17 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.73 2kgk h LEU 29 Cb 0.02 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2kgk h LEU 29 CO -0.03 0.14 -0.78 1.56 -0.62 0.00 0.00 178.44 178.71 2kgk h GLN 30 N 0.25 0.62 0.35 1.25 4.20 -1.00 -2.16 115.11 118.62 2kgk h GLN 30 Ca 0.23 -0.60 -0.02 0.00 0.06 0.00 0.00 58.65 58.32 2kgk h GLN 30 Cb 0.57 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.50 2kgk h GLN 30 CO -0.05 1.21 -0.17 1.88 -0.67 0.00 0.00 178.83 181.04 2kgk h TYR 31 N 0.26 -0.43 -0.22 2.96 -1.99 -0.22 -1.91 116.97 115.41 2kgk h TYR 31 Ca -0.08 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.61 2kgk h TYR 31 Cb 1.44 0.14 -0.01 0.00 2.00 0.00 0.00 36.73 40.30 2kgk h TYR 31 CO 0.11 -0.18 0.00 -0.24 -0.00 0.00 0.00 178.16 177.85 2kgk h VAL 32 N -0.61 1.14 -0.45 -2.88 3.04 -1.39 -1.06 116.25 114.04 2kgk h VAL 32 Ca -0.05 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 2kgk h VAL 32 Cb 0.44 0.97 -0.02 0.00 -2.01 0.00 0.00 31.29 30.67 2kgk h VAL 32 CO 0.08 0.18 0.29 0.50 -1.01 0.00 0.00 177.57 177.61 2kgk h LYS 33 N 0.32 0.60 0.00 4.17 3.64 -1.13 0.21 116.57 124.38 2kgk h LYS 33 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2kgk h LYS 33 Cb 0.21 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2kgk h LYS 33 CO 0.00 0.41 0.00 -0.22 -2.27 0.00 0.00 179.45 177.37 2kgk h LYS 34 N 0.61 0.00 0.00 1.90 1.63 -0.82 0.22 116.57 120.12 2kgk h LYS 34 Ca 0.17 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.89 2kgk h LYS 34 Cb -0.05 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2kgk h LYS 34 CO -0.03 0.00 -0.89 0.00 -3.45 0.00 0.00 179.45 175.07 2kgk h THR 35 N 0.00 0.35 0.00 1.00 1.03 -0.38 -3.32 112.91 111.59 2kgk h THR 35 Ca 0.00 -1.60 0.00 0.00 -0.01 0.00 0.00 66.41 64.80 2kgk h THR 35 Cb 0.79 1.95 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 2kgk h THR 35 CO 0.00 0.20 -0.86 1.07 -0.01 0.00 0.00 175.52 175.92 2kgk n THR 36 N -2.93 0.00 -1.55 0.00 5.66 0.66 -4.96 114.28 111.16 2kgk n THR 36 Ca -0.02 -0.20 -0.56 0.00 -3.05 0.00 0.00 64.05 60.22 2kgk n THR 36 Cb 0.69 0.84 -0.07 0.00 -1.55 0.00 0.00 70.33 70.23 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 -1.47 0.54 0.00 1.09 3.85 0.77 0.25 117.12 122.16 2kgk n MET 37 Ca 0.02 0.20 0.00 0.00 -1.00 0.00 0.00 57.70 56.91 2kgk n MET 37 Cb 0.25 -1.76 0.00 0.00 -1.05 0.00 0.00 33.22 30.66 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 2.09 2.78 3.77 3.17 0.00 -0.03 -5.02 105.19 111.94 2kgk n GLY 38 Ca 0.20 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.83 2.79 -0.08 1.61 3.76 0.14 -4.81 115.29 116.88 2kgk s HIS 39 Ca 0.00 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.12 2kgk s HIS 39 Cb 0.00 -3.45 -0.05 0.00 1.11 0.00 0.00 32.58 30.19 2kgk s HIS 39 CO 0.00 -1.73 1.56 -1.25 -0.85 0.00 0.00 174.74 172.48 2kgk s PRO 40 N -2.70 4.19 -0.36 8.40 0.04 -1.26 -4.80 135.00 138.51 2kgk s PRO 40 Ca 0.64 2.07 -0.04 0.00 0.04 0.00 0.00 61.00 63.71 2kgk s PRO 40 Cb -0.31 -3.93 0.08 0.00 0.04 0.00 0.00 34.50 30.38 2kgk s PRO 40 CO 0.37 -0.81 0.13 -0.51 0.04 0.00 0.00 177.00 176.22 2kgk s LEU 41 N 3.89 4.66 -0.56 -3.56 1.43 -1.11 -2.35 118.68 121.09 2kgk s LEU 41 Ca 0.69 -1.57 -0.20 0.00 -1.03 0.00 0.00 54.13 52.02 2kgk s LEU 41 Cb -0.31 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.17 2kgk s LEU 41 CO 0.26 -0.42 0.72 -0.63 0.23 0.00 0.00 176.35 176.51 2kgk s ILE 42 N 1.26 4.76 0.34 -0.59 1.09 -0.78 -1.51 121.20 125.77 2kgk s ILE 42 Ca 0.02 -0.64 0.08 0.00 -1.10 0.00 0.00 60.65 59.00 2kgk s ILE 42 Cb -0.21 -4.44 -0.03 0.00 -1.06 0.00 0.00 42.46 36.72 2kgk s ILE 42 CO -0.01 -1.03 0.26 -0.04 -0.10 0.00 0.00 174.94 174.01 2kgk s MET 43 N 2.90 2.61 0.72 2.79 -1.94 -0.39 0.72 119.30 126.71 2kgk s MET 43 Ca 0.15 -1.38 -0.12 0.00 -1.71 0.00 0.00 55.69 52.63 2kgk s MET 43 Cb -0.21 -2.38 0.03 0.00 2.01 0.00 0.00 34.83 34.28 2kgk s MET 43 CO 0.10 0.08 1.09 0.20 -0.01 0.00 0.00 175.02 176.47 2kgk s GLY 44 N -3.96 1.81 0.19 -0.03 0.00 -0.64 -1.94 107.32 102.74 2kgk s GLY 44 Ca 0.40 0.30 -0.05 0.00 0.00 0.00 0.00 44.72 45.37 2kgk s GLY 44 CO 0.26 0.64 1.53 0.07 0.00 0.00 0.00 173.10 175.60 2kgk h ARG 45 N -0.68 0.69 -0.33 2.90 -0.00 -1.87 -2.70 114.38 112.40 2kgk h ARG 45 Ca -0.44 -0.38 -0.18 0.00 -0.00 0.00 0.00 59.98 58.98 2kgk h ARG 45 Cb 1.23 0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 31.21 2kgk h ARG 45 CO 0.53 0.99 -0.48 -0.22 -0.00 0.00 0.00 179.97 180.79 2kgk h LYS 46 N 0.56 0.89 0.43 0.08 3.64 -1.93 -2.64 116.57 117.61 2kgk h LYS 46 Ca 0.04 -0.53 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2kgk h LYS 46 Cb 0.97 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2kgk h LYS 46 CO 0.09 1.17 -0.42 -0.97 -2.27 0.00 0.00 179.45 177.05 2kgk h ASN 47 N 0.70 -1.14 -0.81 4.20 -1.24 -1.85 -1.38 115.58 114.07 2kgk h ASN 47 Ca 0.03 0.09 0.14 0.00 0.71 0.00 0.00 56.30 57.28 2kgk h ASN 47 Cb 1.09 0.37 -0.09 0.00 0.73 0.00 0.00 38.32 40.42 2kgk h ASN 47 CO 0.11 -0.56 0.39 0.10 -1.29 0.00 0.00 177.43 176.18 2kgk h TYR 48 N -0.84 0.68 -0.66 0.67 -0.00 -1.55 0.14 116.97 115.39 2kgk h TYR 48 Ca -0.05 0.03 0.10 0.00 0.00 0.00 0.00 58.73 58.81 2kgk h TYR 48 Cb 0.73 -0.18 -0.07 0.00 0.00 0.00 0.00 36.73 37.21 2kgk h TYR 48 CO -0.21 0.14 0.28 0.93 -0.00 0.00 0.00 178.16 179.30 2kgk h GLU 49 N 0.56 0.47 0.06 0.10 5.08 -1.07 0.21 114.58 119.98 2kgk h GLU 49 Ca 0.44 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2kgk h GLU 49 Cb 0.63 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2kgk h GLU 49 CO -0.37 0.31 -0.03 0.00 -1.00 0.00 0.00 179.01 177.92 2kgk h ALA 50 N 1.44 -0.08 -0.74 3.43 0.00 0.04 -3.23 119.26 120.11 2kgk h ALA 50 Ca 0.33 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2kgk h ALA 50 Cb 0.40 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 2kgk h ALA 50 CO -0.30 -0.25 0.22 0.82 0.00 0.00 0.00 179.25 179.74 2kgk h ILE 51 N -0.67 0.56 -0.55 0.00 2.04 -0.46 -3.47 117.51 114.96 2kgk h ILE 51 Ca -0.01 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2kgk h ILE 51 Cb 0.57 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2kgk h ILE 51 CO 0.01 0.06 -0.19 0.61 0.00 0.00 0.00 178.15 178.64 2kgk n GLY 52 N -1.34 -2.78 1.28 5.37 0.00 0.69 -5.04 105.19 103.36 2kgk n GLY 52 Ca 0.14 -1.36 0.03 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.26 -2.33 -0.49 1.61 5.12 -1.26 -4.91 116.66 112.15 2kgk n ARG 53 Ca -0.01 1.83 -0.18 0.00 -1.93 0.00 0.00 57.85 57.56 2kgk n ARG 53 Cb 0.10 -2.58 0.16 0.00 -1.16 0.00 0.00 32.46 28.97 2kgk n ARG 53 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2kgk n PRO 54 N -2.79 -2.67 -3.81 5.56 -0.04 -1.26 -5.03 135.00 124.96 2kgk n PRO 54 Ca -0.02 -0.99 -0.36 0.00 -0.04 0.00 0.00 63.50 62.09 2kgk n PRO 54 Cb 0.32 -1.01 -0.11 0.00 -0.04 0.00 0.00 33.50 32.66 2kgk n PRO 54 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kgk s LEU 55 N 0.00 3.72 0.31 1.53 0.20 -1.26 -5.00 118.68 118.18 2kgk s LEU 55 Ca 0.41 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 55.20 2kgk s LEU 55 Cb -0.05 -1.99 0.56 0.00 -0.43 0.00 0.00 46.19 44.29 2kgk s LEU 55 CO 0.33 0.04 1.92 1.55 -0.29 0.00 0.00 176.35 179.90 2kgk h PRO 56 N 7.68 0.96 0.00 0.98 0.13 -2.00 -1.37 132.00 138.37 2kgk h PRO 56 Ca -0.37 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kgk h PRO 56 Cb 1.18 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2kgk h PRO 56 CO 0.62 0.63 0.31 0.41 -0.23 0.00 0.00 178.00 179.74 2kgk n GLY 57 N -1.40 -0.56 0.87 1.56 0.00 -1.26 -4.90 105.19 99.49 2kgk n GLY 57 Ca 0.13 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.36 2kgk n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kgk n ARG 58 N -1.95 -2.01 -3.24 1.61 0.63 -0.52 -0.85 116.66 110.33 2kgk n ARG 58 Ca -0.01 1.65 -0.13 0.00 -0.92 0.00 0.00 57.85 58.44 2kgk n ARG 58 Cb 0.33 -2.35 0.05 0.00 0.45 0.00 0.00 32.46 30.94 2kgk n ARG 58 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2kgk n ARG 59 N -3.41 -1.92 -3.80 -0.14 0.63 -1.26 -4.23 116.66 102.53 2kgk n ARG 59 Ca -0.06 0.99 -0.36 0.00 -0.92 0.00 0.00 57.85 57.50 2kgk n ARG 59 Cb 0.41 -5.64 -0.13 0.00 0.45 0.00 0.00 32.46 27.56 2kgk n ARG 59 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2kgk s ASN 60 N -3.29 4.91 -0.11 6.15 4.22 -1.26 -2.74 114.94 122.82 2kgk s ASN 60 Ca 0.34 -0.37 0.00 0.00 -2.14 0.00 0.00 52.86 50.69 2kgk s ASN 60 Cb -0.05 -1.86 -0.02 0.00 1.28 0.00 0.00 41.25 40.59 2kgk s ASN 60 CO 0.75 -0.07 -0.11 -0.63 -2.04 0.00 0.00 177.10 175.00 2kgk s ILE 61 N 1.55 3.24 -0.06 0.54 1.09 -0.57 -1.61 121.20 125.38 2kgk s ILE 61 Ca 0.05 -0.62 0.04 0.00 -1.10 0.00 0.00 60.65 59.02 2kgk s ILE 61 Cb -0.15 -2.34 -0.02 0.00 -1.06 0.00 0.00 42.46 38.88 2kgk s ILE 61 CO 0.01 0.55 -0.16 0.27 -0.10 0.00 0.00 174.94 175.51 2kgk s ILE 62 N -0.05 2.86 -0.20 2.92 -4.36 -0.21 -1.26 121.20 120.90 2kgk s ILE 62 Ca -0.02 -0.78 -0.20 0.00 -0.26 0.00 0.00 60.65 59.39 2kgk s ILE 62 Cb -0.14 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.43 2kgk s ILE 62 CO 0.04 0.58 0.59 -0.69 0.24 0.00 0.00 174.94 175.69 2kgk s VAL 63 N -0.45 5.05 -0.14 8.37 1.01 -0.82 -1.24 120.40 132.19 2kgk s VAL 63 Ca 0.05 1.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.97 2kgk s VAL 63 Cb -0.12 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2kgk s VAL 63 CO 0.02 0.14 0.42 0.28 0.00 0.00 0.00 175.10 175.95 2kgk s THR 64 N 1.81 0.01 -0.92 3.92 -1.32 -0.83 -2.92 115.64 115.39 2kgk s THR 64 Ca 0.27 -0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.57 2kgk s THR 64 Cb -0.16 -0.61 0.24 0.00 -1.51 0.00 0.00 72.50 70.46 2kgk s THR 64 CO 0.10 -0.04 0.87 0.00 -2.21 0.00 0.00 174.62 173.34 2kgk s ARG 65 N -0.04 3.73 -0.22 7.08 1.70 -1.26 -4.22 118.95 125.72 2kgk s ARG 65 Ca -0.02 -2.77 -0.09 0.00 -0.47 0.00 0.00 55.73 52.38 2kgk s ARG 65 Cb -0.03 -4.41 0.09 0.00 -0.57 0.00 0.00 34.95 30.03 2kgk s ARG 65 CO 0.01 -1.27 0.49 -0.80 -1.08 0.00 0.00 175.30 172.66 2kgk s ASN 66 N 1.67 -0.56 -0.34 -2.89 0.02 -1.26 -5.10 114.94 106.47 2kgk s ASN 66 Ca 0.23 1.15 -0.29 0.00 -1.02 0.00 0.00 52.86 52.93 2kgk s ASN 66 Cb -0.10 1.45 0.00 0.00 0.02 0.00 0.00 41.25 42.62 2kgk s ASN 66 CO -0.08 -0.22 1.38 -1.83 0.02 0.00 0.00 177.10 176.37 2kgk s GLU 67 N 2.35 3.75 0.00 -0.60 4.04 -1.26 -2.41 118.70 124.56 2kgk s GLU 67 Ca -0.05 1.15 0.00 0.00 0.04 0.00 0.00 54.97 56.11 2kgk s GLU 67 Cb -0.11 -3.96 0.00 0.00 0.02 0.00 0.00 34.13 30.08 2kgk s GLU 67 CO -0.15 -1.34 0.00 0.41 -1.84 0.00 0.00 175.26 172.34 2kgk n GLY 68 N 4.69 0.51 3.73 -3.83 0.00 -1.26 -5.06 105.19 103.97 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 2.86 -0.14 1.61 5.04 -1.01 -4.99 117.35 118.71 2kgk s TYR 69 Ca 0.00 0.57 -0.07 0.00 -2.44 0.00 0.00 57.07 55.14 2kgk s TYR 69 Cb 0.00 -4.08 0.06 0.00 0.35 0.00 0.00 41.96 38.29 2kgk s TYR 69 CO 0.00 -3.88 0.32 -3.38 -1.34 0.00 0.00 175.55 167.27 2kgk s HIS 70 N 0.65 -0.50 -0.20 4.97 -3.43 -1.26 -4.88 115.29 110.64 2kgk s HIS 70 Ca 0.69 1.09 0.01 0.00 -0.80 0.00 0.00 55.06 56.05 2kgk s HIS 70 Cb -0.48 0.13 0.04 0.00 -1.43 0.00 0.00 32.58 30.84 2kgk s HIS 70 CO 0.39 -0.33 -0.12 0.08 -2.00 0.00 0.00 174.74 172.76 2kgk s VAL 71 N 1.77 1.74 0.09 -5.38 1.01 -1.26 -5.10 120.40 113.28 2kgk s VAL 71 Ca -0.06 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 60.58 2kgk s VAL 71 Cb -0.10 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.42 2kgk s VAL 71 CO -0.10 0.21 1.62 -1.83 0.00 0.00 0.00 175.10 175.00 2kgk s GLU 72 N 1.36 4.21 0.00 2.72 -1.05 -1.26 -1.97 118.70 122.71 2kgk s GLU 72 Ca -0.01 2.32 0.00 0.00 -0.15 0.00 0.00 54.97 57.13 2kgk s GLU 72 Cb -0.16 -3.48 0.00 0.00 -0.44 0.00 0.00 34.13 30.05 2kgk s GLU 72 CO -0.09 -0.69 0.00 0.41 0.95 0.00 0.00 175.26 175.85 2kgk n GLY 73 N 3.91 2.71 3.29 -3.83 0.00 -1.26 -4.93 105.19 105.08 2kgk n GLY 73 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.81 4.22 -0.05 0.00 0.41 -0.63 -4.25 118.70 116.59 2kgk s GLU 75 Ca 0.08 0.74 -0.11 0.00 -0.41 0.00 0.00 54.97 55.27 2kgk s GLU 75 Cb -0.10 -3.26 -0.05 0.00 -1.78 0.00 0.00 34.13 28.94 2kgk s GLU 75 CO 0.04 0.59 0.28 0.08 -0.49 0.00 0.00 175.26 175.76 2kgk s VAL 76 N -0.93 5.26 0.27 2.63 1.01 -1.26 -1.04 120.40 126.34 2kgk s VAL 76 Ca 0.29 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.80 2kgk s VAL 76 Cb -0.19 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2kgk s VAL 76 CO 0.19 0.58 0.08 0.00 0.00 0.00 0.00 175.10 175.94 2kgk s ALA 77 N -1.08 1.87 0.65 5.51 0.00 -0.37 -4.90 121.76 123.45 2kgk s ALA 77 Ca 0.20 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.26 2kgk s ALA 77 Cb -0.14 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2kgk s ALA 77 CO 0.09 -0.40 0.00 0.72 0.00 0.00 0.00 175.76 176.17 2kgk n HIS 78 N -0.51 -1.04 -0.58 0.00 8.25 -1.26 -1.96 115.22 118.13 2kgk n HIS 78 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 2kgk n HIS 78 Cb 0.66 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.85 -1.69 -0.02 0.41 7.64 -1.26 -3.85 113.62 114.00 2kgk n SER 79 Ca 0.00 -0.66 -0.10 0.00 1.01 0.00 0.00 58.87 59.12 2kgk n SER 79 Cb 0.00 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 2kgk n SER 79 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2kgk h VAL 80 N -2.09 0.36 -1.51 0.44 2.07 -1.98 -0.44 116.25 113.09 2kgk h VAL 80 Ca -0.15 0.00 0.47 0.00 0.82 0.00 0.00 66.70 67.84 2kgk h VAL 80 Cb 0.47 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 30.49 2kgk h VAL 80 CO 0.10 0.00 1.02 -0.33 0.02 0.00 0.00 177.57 178.38 2kgk h GLU 81 N -0.32 0.04 0.18 1.57 5.08 -2.01 1.38 114.58 120.51 2kgk h GLU 81 Ca 0.11 -0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.16 2kgk h GLU 81 Cb 0.49 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.76 2kgk h GLU 81 CO -0.35 0.03 -1.35 1.49 -1.00 0.00 0.00 179.01 177.83 2kgk h GLU 82 N 0.04 0.45 -0.38 2.33 4.22 -1.39 -3.28 114.58 116.57 2kgk h GLU 82 Ca 0.85 -0.73 -0.04 0.00 0.08 0.00 0.00 59.36 59.52 2kgk h GLU 82 Cb 2.94 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 32.44 2kgk h GLU 82 CO -0.28 1.34 0.07 0.28 -2.18 0.00 0.00 179.01 178.25 2kgk h VAL 83 N 0.14 1.18 -0.08 0.32 2.07 0.22 -2.26 116.25 117.84 2kgk h VAL 83 Ca -0.20 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.69 2kgk h VAL 83 Cb 2.05 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 2kgk h VAL 83 CO 0.24 0.24 -0.21 0.15 0.02 0.00 0.00 177.57 178.02 2kgk h PHE 84 N 0.55 -0.54 -0.33 1.57 3.57 -1.11 -1.98 116.94 118.67 2kgk h PHE 84 Ca 0.13 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 2kgk h PHE 84 Cb 0.25 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2kgk h PHE 84 CO 0.01 -0.29 -0.14 1.05 -2.23 0.00 0.00 178.31 176.71 2kgk h GLU 85 N -0.29 0.68 -0.90 1.11 4.11 -1.64 -2.84 114.58 114.82 2kgk h GLU 85 Ca 0.08 -0.29 0.26 0.00 0.07 0.00 0.00 59.36 59.48 2kgk h GLU 85 Cb 0.41 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2kgk h GLU 85 CO -0.24 0.88 0.65 -0.07 0.07 0.00 0.00 179.01 180.30 2kgk h LEU 86 N 0.46 0.00 -1.03 3.06 -0.00 -1.09 0.19 115.31 116.89 2kgk h LEU 86 Ca 0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.04 2kgk h LEU 86 Cb 0.66 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.25 2kgk h LEU 86 CO 0.04 0.00 0.64 0.00 -0.00 0.00 0.00 178.44 179.12 2kgk n LYS 88 N -4.53 0.21 0.17 0.00 2.85 0.65 -1.91 118.16 115.60 2kgk n LYS 88 Ca 0.16 0.14 0.06 0.00 -1.05 0.00 0.00 58.31 57.62 2kgk n LYS 88 Cb 0.23 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.22 2kgk n LYS 88 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2kgk h ASN 89 N 0.00 0.00 -4.16 -5.58 -0.73 -0.58 -3.45 115.58 101.08 2kgk h ASN 89 Ca 0.00 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.96 2kgk h ASN 89 Cb 0.10 0.00 -0.26 0.00 0.27 0.00 0.00 38.32 38.43 2kgk h ASN 89 CO 0.00 0.33 -0.70 -1.61 -0.37 0.00 0.00 177.43 175.09 2kgk s GLU 90 N -3.08 0.12 0.00 6.67 0.41 -0.80 -5.08 118.70 116.94 2kgk s GLU 90 Ca 0.05 -0.19 -0.02 0.00 -0.41 0.00 0.00 54.97 54.39 2kgk s GLU 90 Cb 0.07 0.04 -0.01 0.00 -1.78 0.00 0.00 34.13 32.45 2kgk s GLU 90 CO 0.71 -0.02 1.03 1.05 -0.49 0.00 0.00 175.26 177.55 2kgk h GLU 91 N 5.61 -0.05 -5.06 1.61 9.09 -1.88 -3.41 114.58 120.49 2kgk h GLU 91 Ca -0.27 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 58.51 2kgk h GLU 91 Cb 1.21 0.01 -0.19 0.00 -1.65 0.00 0.00 28.75 28.14 2kgk h GLU 91 CO 0.47 -0.04 -0.57 -1.21 0.05 0.00 0.00 179.01 177.71 2kgk s GLU 92 N -3.16 3.85 0.01 1.06 2.02 -1.26 -1.81 118.70 119.42 2kgk s GLU 92 Ca -0.01 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 54.67 2kgk s GLU 92 Cb 0.00 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 2kgk s GLU 92 CO 0.03 -0.01 -0.24 0.96 0.02 0.00 0.00 175.26 176.02 2kgk s ILE 93 N 1.18 1.90 -0.18 -1.63 -0.00 -0.89 -4.73 121.20 116.86 2kgk s ILE 93 Ca 0.05 -1.15 -0.02 0.00 -0.00 0.00 0.00 60.65 59.53 2kgk s ILE 93 Cb -0.14 -1.61 -0.01 0.00 -0.00 0.00 0.00 42.46 40.70 2kgk s ILE 93 CO 0.04 0.42 -0.08 -0.36 -0.00 0.00 0.00 174.94 174.97 2kgk s PHE 94 N -0.67 2.91 -0.16 1.37 0.40 -0.99 -1.50 117.98 119.34 2kgk s PHE 94 Ca 0.10 -0.75 -0.05 0.00 -0.60 0.00 0.00 56.93 55.63 2kgk s PHE 94 Cb -0.09 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2kgk s PHE 94 CO 0.00 -0.35 0.01 0.42 0.70 0.00 0.00 175.22 176.00 2kgk s ILE 95 N 0.88 4.31 -0.06 0.64 -1.09 -0.11 -1.88 121.20 123.90 2kgk s ILE 95 Ca -0.02 -0.21 0.08 0.00 -2.23 0.00 0.00 60.65 58.27 2kgk s ILE 95 Cb -0.15 -2.90 0.12 0.00 -1.58 0.00 0.00 42.46 37.95 2kgk s ILE 95 CO 0.01 0.49 1.02 0.33 -1.23 0.00 0.00 174.94 175.56 2kgk n PHE 96 N 3.38 0.00 0.00 3.97 7.35 0.22 -2.11 117.46 130.27 2kgk n PHE 96 Ca -0.17 -0.61 0.00 0.00 -0.76 0.00 0.00 57.45 55.91 2kgk n PHE 96 Cb 0.52 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.27 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 -0.80 0.00 0.00 7.13 0.00 0.64 -4.16 105.19 108.00 2kgk n GLY 97 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.25 0.27 -0.02 0.00 -1.26 -1.62 105.19 103.81 2kgk n GLY 98 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 2.00 -0.80 -0.22 4.61 0.00 -1.98 0.13 119.26 123.00 2kgk h ALA 99 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2kgk h ALA 99 Cb 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2kgk h ALA 99 CO 0.00 -0.75 -0.16 -0.56 0.00 0.00 0.00 179.25 177.78 2kgk h GLN 100 N -0.93 -0.15 -0.62 0.00 -0.00 -2.00 -0.64 115.11 110.76 2kgk h GLN 100 Ca -0.07 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.62 2kgk h GLN 100 Cb 0.50 0.03 -0.03 0.00 -0.00 0.00 0.00 27.48 27.98 2kgk h GLN 100 CO 0.11 -0.10 0.41 0.82 -0.00 0.00 0.00 178.83 180.07 2kgk h ILE 101 N -0.15 1.09 -0.28 1.86 1.08 -1.94 -0.70 117.51 118.47 2kgk h ILE 101 Ca 0.12 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2kgk h ILE 101 Cb 0.34 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 2kgk h ILE 101 CO -0.31 0.14 0.13 0.22 -0.69 0.00 0.00 178.15 177.64 2kgk h TYR 102 N 0.74 0.25 -0.34 1.37 3.20 0.55 0.26 116.97 123.00 2kgk h TYR 102 Ca 0.25 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.96 2kgk h TYR 102 Cb 0.07 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 2kgk h TYR 102 CO -0.00 0.13 -0.45 0.22 -1.64 0.00 0.00 178.16 176.42 2kgk h ASP 103 N 0.28 0.97 1.10 -2.11 3.58 -0.76 -2.76 116.42 116.73 2kgk h ASP 103 Ca 0.11 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2kgk h ASP 103 Cb 0.04 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.81 2kgk h ASP 103 CO -0.08 1.27 0.00 -0.07 -2.88 0.00 0.00 179.24 177.48 2kgk h LEU 104 N 0.71 0.00 -2.30 2.28 3.38 -0.87 -2.68 115.31 115.84 2kgk h LEU 104 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kgk h LEU 104 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2kgk h LEU 104 CO 0.11 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.13 2kgk n PHE 105 N -2.92 0.48 -0.22 1.13 3.01 0.88 -4.43 117.46 115.40 2kgk n PHE 105 Ca 0.01 -0.24 -0.05 0.00 1.01 0.00 0.00 57.45 58.19 2kgk n PHE 105 Cb 0.32 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.85 2kgk n PHE 105 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2kgk h LEU 106 N 4.49 0.65 -0.76 4.37 5.85 -1.19 0.87 115.31 129.58 2kgk h LEU 106 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kgk h LEU 106 Cb 0.99 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2kgk h LEU 106 CO 0.00 0.46 0.00 -0.81 -0.34 0.00 0.00 178.44 177.75 2kgk n PRO 107 N -4.70 1.48 0.00 5.25 -0.04 -1.26 -3.37 135.00 132.36 2kgk n PRO 107 Ca 0.05 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 2kgk n PRO 107 Cb 0.06 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.09 0.00 -4.34 0.54 4.02 -0.53 -5.04 117.16 111.90 2kgk n TYR 108 Ca 0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.65 2kgk n TYR 108 Cb 0.19 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.41 2kgk n TYR 108 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2kgk s VAL 109 N -0.37 3.96 -0.05 -0.72 1.01 0.19 -4.92 120.40 119.51 2kgk s VAL 109 Ca 0.00 -0.68 0.19 0.00 0.00 0.00 0.00 61.98 61.49 2kgk s VAL 109 Cb 0.00 -2.76 -0.29 0.00 0.00 0.00 0.00 36.38 33.34 2kgk s VAL 109 CO 0.00 0.37 0.37 0.47 0.00 0.00 0.00 175.10 176.32 2kgk n ASP 110 N 1.43 0.65 -4.03 3.32 9.92 -0.82 -4.88 116.55 122.15 2kgk n ASP 110 Ca -0.15 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.85 2kgk n ASP 110 Cb 0.53 1.75 -0.17 0.00 -0.64 0.00 0.00 41.12 42.59 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 -3.20 1.93 -0.09 -1.24 1.02 0.12 -1.68 119.74 116.59 2kgk s LYS 111 Ca -0.07 -0.47 0.03 0.00 0.02 0.00 0.00 55.97 55.48 2kgk s LYS 111 Cb 0.11 -1.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.77 2kgk s LYS 111 CO 0.78 -0.04 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.80 2kgk s LEU 112 N 0.92 1.94 -0.10 3.17 1.98 0.08 -1.66 118.68 125.00 2kgk s LEU 112 Ca -0.09 -0.48 0.02 0.00 -2.89 0.00 0.00 54.13 50.70 2kgk s LEU 112 Cb -0.15 -1.22 0.01 0.00 0.66 0.00 0.00 46.19 45.49 2kgk s LEU 112 CO 0.00 0.11 -0.18 -0.31 -1.89 0.00 0.00 176.35 174.09 2kgk s TYR 113 N 0.49 2.13 -0.07 5.38 2.02 -0.68 0.37 117.35 126.99 2kgk s TYR 113 Ca -0.16 -0.96 -0.00 0.00 -0.37 0.00 0.00 57.07 55.57 2kgk s TYR 113 Cb -0.17 -1.49 0.03 0.00 -0.40 0.00 0.00 41.96 39.92 2kgk s TYR 113 CO 0.06 -0.45 -0.03 0.42 -1.57 0.00 0.00 175.55 173.98 2kgk s ILE 114 N 0.77 0.53 -0.18 2.71 1.09 -0.92 -2.19 121.20 123.02 2kgk s ILE 114 Ca -0.11 -0.03 -0.04 0.00 -1.10 0.00 0.00 60.65 59.38 2kgk s ILE 114 Cb -0.16 -0.62 -0.02 0.00 -1.06 0.00 0.00 42.46 40.59 2kgk s ILE 114 CO 0.02 0.27 -0.03 0.28 -0.10 0.00 0.00 174.94 175.38 2kgk s THR 115 N 1.57 3.86 0.00 2.92 -1.32 -1.04 -1.20 115.64 120.44 2kgk s THR 115 Ca -0.01 -0.36 -0.06 0.00 -1.21 0.00 0.00 61.69 60.06 2kgk s THR 115 Cb -0.13 -2.72 -0.05 0.00 -1.51 0.00 0.00 72.50 68.10 2kgk s THR 115 CO -0.04 0.46 0.25 -0.75 -2.21 0.00 0.00 174.62 172.33 2kgk s LYS 116 N 0.69 3.54 -0.13 7.08 2.47 0.11 0.33 119.74 133.83 2kgk s LYS 116 Ca -0.01 -0.13 0.02 0.00 -1.56 0.00 0.00 55.97 54.28 2kgk s LYS 116 Cb -0.14 -3.08 0.01 0.00 -1.46 0.00 0.00 37.83 33.16 2kgk s LYS 116 CO 0.02 0.66 -0.17 0.42 0.16 0.00 0.00 175.35 176.44 2kgk s ILE 117 N -1.30 1.70 0.00 5.43 1.01 -0.68 -0.38 121.20 126.99 2kgk s ILE 117 Ca 0.27 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 2kgk s ILE 117 Cb -0.13 -1.54 -0.00 0.00 0.01 0.00 0.00 42.46 40.80 2kgk s ILE 117 CO 0.16 0.48 1.96 1.57 0.00 0.00 0.00 174.94 179.12 2kgk n HIS 118 N 4.28 0.00 -3.27 3.97 -0.00 -0.87 -2.26 115.22 117.06 2kgk n HIS 118 Ca -0.19 -0.98 0.03 0.00 -0.00 0.00 0.00 57.72 56.58 2kgk n HIS 118 Cb 0.51 -0.50 -0.02 0.00 -0.00 0.00 0.00 29.99 29.98 2kgk n HIS 118 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kgk s HIS 119 N 0.05 -1.28 -0.29 1.57 5.65 -1.26 -4.78 115.29 114.94 2kgk s HIS 119 Ca 0.00 1.59 -0.16 0.00 0.25 0.00 0.00 55.06 56.74 2kgk s HIS 119 Cb 0.00 0.54 0.15 0.00 -1.18 0.00 0.00 32.58 32.09 2kgk s HIS 119 CO 0.00 -0.68 0.99 0.00 -0.65 0.00 0.00 174.74 174.40 2kgk s ALA 120 N 2.84 -2.29 -0.22 1.58 0.00 -1.26 -4.75 121.76 117.66 2kgk s ALA 120 Ca 0.10 2.19 -0.03 0.00 0.00 0.00 0.00 51.96 54.21 2kgk s ALA 120 Cb -0.13 -1.72 0.10 0.00 0.00 0.00 0.00 23.12 21.37 2kgk s ALA 120 CO -0.19 -0.35 0.22 0.12 0.00 0.00 0.00 175.76 175.57 2kgk s PHE 121 N 1.32 -0.25 0.38 0.00 5.36 -1.26 -4.39 117.98 119.14 2kgk s PHE 121 Ca -0.09 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 2kgk s PHE 121 Cb -0.04 -0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.22 2kgk s PHE 121 CO -0.15 -0.66 0.00 0.39 -1.46 0.00 0.00 175.22 173.34 2kgk n GLU 122 N 5.31 -5.31 -1.14 10.12 1.02 -1.26 -5.09 120.64 124.28 2kgk n GLU 122 Ca -0.05 3.83 0.00 0.00 -0.02 0.00 0.00 57.16 60.92 2kgk n GLU 122 Cb 0.49 -4.23 0.00 0.00 -0.02 0.00 0.00 31.44 27.68 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 0.65 1.73 0.00 0.62 0.00 -1.26 -4.88 105.19 102.05 2kgk n GLY 123 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.80 0.00 -4.62 1.61 2.03 0.60 -4.79 116.55 110.57 2kgk n ASP 124 Ca 0.00 0.58 -0.37 0.00 0.52 0.00 0.00 54.79 55.52 2kgk n ASP 124 Cb 0.00 -0.45 -0.10 0.00 -0.72 0.00 0.00 41.12 39.85 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 -1.40 5.31 -0.03 5.18 2.01 -0.62 -4.95 115.64 121.14 2kgk s THR 125 Ca 0.00 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.22 2kgk s THR 125 Cb 0.00 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 2kgk s THR 125 CO 0.00 0.30 -0.19 0.72 -0.69 0.00 0.00 174.62 174.76 2kgk s PHE 126 N 1.38 1.77 -0.30 4.92 -0.12 -1.26 -2.87 117.98 121.50 2kgk s PHE 126 Ca 0.07 -0.41 -0.13 0.00 -0.05 0.00 0.00 56.93 56.40 2kgk s PHE 126 Cb -0.15 -1.16 0.15 0.00 -0.63 0.00 0.00 43.02 41.23 2kgk s PHE 126 CO 0.07 -0.09 0.85 0.12 -0.05 0.00 0.00 175.22 176.12 2kgk s PHE 127 N -0.25 -0.94 0.00 3.49 2.19 -0.91 -4.80 117.98 116.76 2kgk s PHE 127 Ca 0.03 1.66 0.00 0.00 0.33 0.00 0.00 56.93 58.94 2kgk s PHE 127 Cb -0.09 0.56 0.00 0.00 -1.31 0.00 0.00 43.02 42.18 2kgk s PHE 127 CO 0.01 -0.47 0.00 -0.35 1.83 0.00 0.00 175.22 176.24 2kgk n PRO 128 N 5.01 0.10 -3.44 10.12 -0.04 -1.25 -4.02 135.00 141.49 2kgk n PRO 128 Ca -0.12 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.94 2kgk n PRO 128 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.86 3.56 -0.00 0.54 -1.05 -1.26 -4.98 118.70 113.65 2kgk s GLU 129 Ca 0.00 -0.46 -0.00 0.00 -0.15 0.00 0.00 54.97 54.35 2kgk s GLU 129 Cb 0.00 -3.80 -0.00 0.00 -0.44 0.00 0.00 34.13 29.89 2kgk s GLU 129 CO 0.00 -0.49 0.14 0.52 0.95 0.00 0.00 175.26 176.38 2kgk h MET 130 N 8.46 -0.00 0.00 -4.83 2.86 -2.04 -3.49 114.93 115.89 2kgk h MET 130 Ca -0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2kgk h MET 130 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2kgk h MET 130 CO 0.67 -0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.39 2kgk n ASP 131 N -2.05 -0.96 -2.08 1.22 8.00 -1.26 -5.00 116.55 114.42 2kgk n ASP 131 Ca -0.00 0.38 -0.09 0.00 0.71 0.00 0.00 54.79 55.79 2kgk n ASP 131 Cb 0.00 1.14 -0.02 0.00 -0.02 0.00 0.00 41.12 42.23 2kgk n ASP 131 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2kgk n MET 132 N -2.76 -1.28 0.11 -1.24 0.00 -1.26 -4.60 117.12 106.10 2kgk n MET 132 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 57.70 57.84 2kgk n MET 132 Cb 0.00 -1.82 0.47 0.00 0.00 0.00 0.00 33.22 31.87 2kgk n MET 132 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2kgk n THR 133 N -1.50 0.86 -0.31 3.17 5.66 -1.26 -3.05 114.28 117.85 2kgk n THR 133 Ca 0.03 0.25 0.24 0.00 -3.05 0.00 0.00 64.05 61.51 2kgk n THR 133 Cb 0.19 -1.15 0.53 0.00 -1.55 0.00 0.00 70.33 68.35 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 0.39 -4.31 1.09 2.35 -2.03 -3.41 115.58 109.66 2kgk h ASN 134 Ca 0.00 0.07 -0.51 0.00 -0.55 0.00 0.00 56.30 55.31 2kgk h ASN 134 Cb 0.34 0.01 0.10 0.00 0.05 0.00 0.00 38.32 38.82 2kgk h ASN 134 CO 0.00 0.08 0.35 0.26 -1.65 0.00 0.00 177.43 176.47 2kgk s TRP 135 N -5.42 2.91 -0.15 1.19 0.52 -1.17 -5.02 118.94 111.79 2kgk s TRP 135 Ca -0.08 1.48 0.01 0.00 0.02 0.00 0.00 56.10 57.52 2kgk s TRP 135 Cb 0.25 -2.96 0.02 0.00 -1.15 0.00 0.00 33.47 29.63 2kgk s TRP 135 CO 0.80 -1.43 -0.16 0.21 0.02 0.00 0.00 176.95 176.38 2kgk s LYS 136 N -4.88 2.51 0.56 4.98 2.36 -1.17 -5.00 119.74 119.10 2kgk s LYS 136 Ca 0.60 -0.65 -0.17 0.00 -2.55 0.00 0.00 55.97 53.20 2kgk s LYS 136 Cb -0.15 -2.21 -0.05 0.00 -1.05 0.00 0.00 37.83 34.36 2kgk s LYS 136 CO 0.53 -0.18 1.05 -1.83 1.55 0.00 0.00 175.35 176.47 2kgk s GLU 137 N 1.31 3.48 0.00 4.03 1.03 -1.26 -2.20 118.70 125.09 2kgk s GLU 137 Ca 0.02 1.26 0.00 0.00 0.03 0.00 0.00 54.97 56.28 2kgk s GLU 137 Cb -0.13 -2.05 0.00 0.00 -0.80 0.00 0.00 34.13 31.14 2kgk s GLU 137 CO -0.09 -0.68 0.00 1.33 -1.33 0.00 0.00 175.26 174.49 2kgk n VAL 138 N -1.67 0.00 -3.69 1.83 0.24 -1.02 -4.92 118.33 109.10 2kgk n VAL 138 Ca 0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.26 2kgk n VAL 138 Cb 0.53 -0.65 -0.07 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.68 -0.23 -0.02 6.34 2.19 -1.25 -5.08 117.98 118.25 2kgk s PHE 139 Ca 0.00 0.18 0.00 0.00 0.33 0.00 0.00 56.93 57.45 2kgk s PHE 139 Cb 0.00 0.19 0.02 0.00 -1.31 0.00 0.00 43.02 41.91 2kgk s PHE 139 CO 0.00 -0.55 -0.00 0.08 1.83 0.00 0.00 175.22 176.58 2kgk s VAL 140 N -2.41 0.14 0.02 3.12 1.01 -1.26 -1.92 120.40 119.10 2kgk s VAL 140 Ca -0.06 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2kgk s VAL 140 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2kgk s VAL 140 CO -0.02 0.10 -0.15 -0.70 0.00 0.00 0.00 175.10 174.33 2kgk s GLU 141 N 0.62 1.10 0.33 2.72 2.56 -0.99 -5.02 118.70 120.01 2kgk s GLU 141 Ca -0.06 -0.66 0.07 0.00 0.00 0.00 0.00 54.97 54.32 2kgk s GLU 141 Cb -0.09 -1.10 -0.02 0.00 2.00 0.00 0.00 34.13 34.93 2kgk s GLU 141 CO -0.01 0.29 0.40 -1.59 -0.56 0.00 0.00 175.26 173.78 2kgk s LYS 142 N -0.76 2.97 0.00 4.30 0.00 -1.26 0.12 119.74 125.10 2kgk s LYS 142 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 55.97 54.89 2kgk s LYS 142 Cb -0.07 -2.68 0.00 0.00 0.00 0.00 0.00 37.83 35.08 2kgk s LYS 142 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 175.35 175.85 2kgk n GLY 143 N -1.53 7.15 3.64 0.59 0.00 -0.13 -4.81 105.19 110.10 2kgk n GLY 143 Ca -0.01 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.65 1.35 0.99 2.96 -1.26 -4.69 118.68 117.37 2kgk s LEU 144 Ca 0.00 1.18 -0.21 0.00 -0.22 0.00 0.00 54.13 54.88 2kgk s LEU 144 Cb 0.00 2.15 0.33 0.00 0.50 0.00 0.00 46.19 49.17 2kgk s LEU 144 CO 0.00 -0.20 0.77 1.07 -1.32 0.00 0.00 176.35 176.68 2kgk n THR 145 N 2.98 0.00 -3.85 3.68 5.66 -1.24 -4.81 114.28 116.70 2kgk n THR 145 Ca -0.15 -0.08 -0.05 0.00 -3.05 0.00 0.00 64.05 60.71 2kgk n THR 145 Cb 0.56 -0.89 0.02 0.00 -1.55 0.00 0.00 70.33 68.47 2kgk n THR 145 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kgk s ASP 146 N -2.76 -0.01 0.09 1.09 2.15 0.71 -4.91 116.67 113.05 2kgk s ASP 146 Ca 0.61 -0.84 -0.15 0.00 0.43 0.00 0.00 52.55 52.61 2kgk s ASP 146 Cb -0.13 0.63 -0.12 0.00 -0.30 0.00 0.00 42.92 43.01 2kgk s ASP 146 CO 0.54 -1.26 1.35 1.05 -0.17 0.00 0.00 175.17 176.68 2kgk h GLU 147 N 2.00 0.70 0.00 4.34 4.11 -2.00 -2.05 114.58 121.69 2kgk h GLU 147 Ca -0.29 -0.46 -0.09 0.00 0.07 0.00 0.00 59.36 58.60 2kgk h GLU 147 Cb 1.23 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2kgk h GLU 147 CO 0.37 1.08 -0.41 0.87 0.07 0.00 0.00 179.01 180.99 2kgk h LYS 148 N 0.41 0.00 -2.83 1.06 1.79 -2.02 -3.37 116.57 111.62 2kgk h LYS 148 Ca 0.01 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.89 2kgk h LYS 148 Cb 1.06 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.32 2kgk h LYS 148 CO 0.10 0.41 -0.80 0.54 -1.08 0.00 0.00 179.45 178.62 2kgk s ASN 149 N -6.84 3.35 -1.11 0.86 2.20 -1.14 -5.02 114.94 107.25 2kgk s ASN 149 Ca -0.02 -2.23 -0.14 0.00 -0.94 0.00 0.00 52.86 49.52 2kgk s ASN 149 Cb 0.14 -0.67 -0.07 0.00 -2.00 0.00 0.00 41.25 38.65 2kgk s ASN 149 CO 0.72 -0.31 2.20 -0.81 -2.94 0.00 0.00 177.10 175.96 2kgk n PRO 150 N 4.02 2.31 -3.64 3.55 -0.04 -0.78 -0.20 135.00 140.20 2kgk n PRO 150 Ca 0.08 -1.99 -0.05 0.00 -0.04 0.00 0.00 63.50 61.49 2kgk n PRO 150 Cb 0.37 -2.88 -0.07 0.00 -0.04 0.00 0.00 33.50 30.88 2kgk n PRO 150 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2kgk s TYR 151 N 3.74 -0.29 0.40 0.54 -0.85 -1.26 -4.93 117.35 114.70 2kgk s TYR 151 Ca 0.52 0.68 -0.02 0.00 -0.52 0.00 0.00 57.07 57.73 2kgk s TYR 151 Cb 0.14 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 2kgk s TYR 151 CO 0.00 -0.14 0.65 0.99 -1.52 0.00 0.00 175.55 175.53 2kgk s THR 152 N 0.27 5.02 0.25 -3.49 2.01 -1.26 -3.69 115.64 114.74 2kgk s THR 152 Ca 0.03 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.79 2kgk s THR 152 Cb -0.05 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 2kgk s THR 152 CO -0.11 -0.66 0.42 -0.72 -0.69 0.00 0.00 174.62 172.86 2kgk s TYR 153 N -2.47 0.57 0.02 4.92 -0.85 -1.26 -2.05 117.35 116.22 2kgk s TYR 153 Ca 0.43 -0.90 0.03 0.00 -0.52 0.00 0.00 57.07 56.12 2kgk s TYR 153 Cb -0.10 0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.27 2kgk s TYR 153 CO 0.39 -0.96 -0.09 0.71 -1.52 0.00 0.00 175.55 174.08 2kgk s TYR 154 N -3.91 0.82 0.04 -3.49 2.02 0.49 -0.96 117.35 112.36 2kgk s TYR 154 Ca 0.26 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 2kgk s TYR 154 Cb 0.01 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2kgk s TYR 154 CO 0.11 -0.02 0.08 -0.47 -1.57 0.00 0.00 175.55 173.68 2kgk s TYR 155 N -0.66 3.22 -0.04 2.71 6.14 0.31 0.07 117.35 129.11 2kgk s TYR 155 Ca -0.01 0.13 0.02 0.00 0.64 0.00 0.00 57.07 57.85 2kgk s TYR 155 Cb -0.06 -1.67 0.01 0.00 0.42 0.00 0.00 41.96 40.66 2kgk s TYR 155 CO 0.00 0.53 -0.07 -1.01 0.64 0.00 0.00 175.55 175.64 2kgk s HIS 156 N -1.30 0.85 -0.34 4.97 3.76 -0.34 -2.35 115.29 120.54 2kgk s HIS 156 Ca 0.27 -0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 54.86 2kgk s HIS 156 Cb -0.12 -0.67 0.02 0.00 1.11 0.00 0.00 32.58 32.92 2kgk s HIS 156 CO 0.19 -0.15 0.14 0.08 -0.85 0.00 0.00 174.74 174.15 2kgk s VAL 157 N 0.53 4.16 -0.09 -0.90 1.01 -0.81 -2.17 120.40 122.14 2kgk s VAL 157 Ca -0.08 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 2kgk s VAL 157 Cb -0.11 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2kgk s VAL 157 CO 0.01 -0.12 -0.02 -0.31 0.00 0.00 0.00 175.10 174.66 2kgk s TYR 158 N 1.49 3.10 0.07 5.22 1.51 0.16 -2.42 117.35 126.48 2kgk s TYR 158 Ca 0.01 0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.23 2kgk s TYR 158 Cb -0.19 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 2kgk s TYR 158 CO 0.04 0.41 -0.10 -1.21 -1.11 0.00 0.00 175.55 173.58 2kgk s GLU 159 N -0.79 0.73 0.46 -0.62 0.41 -0.93 -0.74 118.70 117.22 2kgk s GLU 159 Ca 0.12 -1.01 0.00 0.00 -0.41 0.00 0.00 54.97 53.67 2kgk s GLU 159 Cb -0.11 -0.46 0.00 0.00 -1.78 0.00 0.00 34.13 31.78 2kgk s GLU 159 CO 0.02 0.08 0.68 0.15 -0.49 0.00 0.00 175.26 175.70 2kgk s LYS 160 N -2.34 3.01 0.00 1.61 -0.14 -0.68 -3.02 119.74 118.18 2kgk s LYS 160 Ca -0.00 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 2kgk s LYS 160 Cb -0.05 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.54 2kgk s LYS 160 CO -0.00 -0.32 0.00 0.00 -0.76 0.00 0.00 175.35 174.27 2kgk n GLN 161 N -2.11 0.00 0.00 1.68 0.00 -1.26 -5.01 117.38 110.68 2kgk n GLN 161 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 57.00 57.13 2kgk n GLN 161 Cb 0.58 -0.62 0.62 0.00 0.00 0.00 0.00 30.24 30.81 2kgk n GLN 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06