#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 1.86 -0.46 2.02 1.01 0.78 -4.97 121.20 121.44 2kgk s ILE 2 Ca 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.20 2kgk s ILE 2 Cb 0.00 -2.04 0.12 0.00 0.01 0.00 0.00 42.46 40.55 2kgk s ILE 2 CO 0.00 -0.05 0.25 -0.69 0.00 0.00 0.00 174.94 174.45 2kgk s VAL 3 N 1.24 3.29 0.22 2.92 1.01 -1.26 -2.41 120.40 125.41 2kgk s VAL 3 Ca -0.07 -2.32 -0.04 0.00 0.00 0.00 0.00 61.98 59.55 2kgk s VAL 3 Cb -0.19 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2kgk s VAL 3 CO -0.06 -0.73 0.46 -0.44 0.00 0.00 0.00 175.10 174.33 2kgk s SER 4 N 1.44 6.45 -0.01 3.32 0.01 -0.95 -0.14 113.70 123.82 2kgk s SER 4 Ca 0.11 0.60 0.05 0.00 1.31 0.00 0.00 55.95 58.01 2kgk s SER 4 Cb -0.22 -2.09 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 2kgk s SER 4 CO -0.04 -0.08 -0.16 0.12 0.41 0.00 0.00 173.24 173.49 2kgk s PHE 5 N -1.90 1.44 -0.24 2.43 2.19 0.38 -0.07 117.98 122.21 2kgk s PHE 5 Ca 0.42 -0.28 0.01 0.00 0.33 0.00 0.00 56.93 57.42 2kgk s PHE 5 Cb -0.11 -0.92 0.06 0.00 -1.31 0.00 0.00 43.02 40.73 2kgk s PHE 5 CO 0.28 -0.02 -0.07 -1.64 1.83 0.00 0.00 175.22 175.59 2kgk s MET 6 N -0.41 1.83 -0.01 10.12 -1.94 -0.78 -0.67 119.30 127.43 2kgk s MET 6 Ca 0.06 -1.08 -0.05 0.00 -1.71 0.00 0.00 55.69 52.92 2kgk s MET 6 Cb -0.06 -2.66 0.00 0.00 2.01 0.00 0.00 34.83 34.12 2kgk s MET 6 CO -0.01 -0.57 0.10 0.54 -0.01 0.00 0.00 175.02 175.07 2kgk s VAL 7 N 1.31 0.06 0.68 -6.03 0.11 -0.88 -4.63 120.40 111.02 2kgk s VAL 7 Ca -0.06 -0.47 -0.01 0.00 -2.93 0.00 0.00 61.98 58.50 2kgk s VAL 7 Cb -0.19 -0.30 0.10 0.00 -1.53 0.00 0.00 36.38 34.45 2kgk s VAL 7 CO -0.06 -0.26 0.94 0.00 -3.33 0.00 0.00 175.10 172.39 2kgk s ALA 8 N -0.86 3.68 -0.26 1.54 0.00 -1.26 -1.86 121.76 122.73 2kgk s ALA 8 Ca -0.09 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 50.29 2kgk s ALA 8 Cb -0.06 -2.09 0.10 0.00 0.00 0.00 0.00 23.12 21.07 2kgk s ALA 8 CO 0.01 -1.28 0.17 -1.64 0.00 0.00 0.00 175.76 173.02 2kgk s MET 9 N -5.07 0.20 -0.08 0.00 -1.94 0.28 -4.56 119.30 108.12 2kgk s MET 9 Ca 0.64 -0.31 -0.30 0.00 -1.71 0.00 0.00 55.69 54.01 2kgk s MET 9 Cb -0.07 -1.16 -0.04 0.00 2.01 0.00 0.00 34.83 35.57 2kgk s MET 9 CO 0.43 -0.93 1.38 -0.51 -0.01 0.00 0.00 175.02 175.38 2kgk s ASP 10 N 2.18 6.87 0.60 3.03 1.01 -0.90 -0.84 116.67 128.63 2kgk s ASP 10 Ca 0.08 1.94 0.28 0.00 0.71 0.00 0.00 52.55 55.56 2kgk s ASP 10 Cb -0.16 -2.55 1.41 0.00 1.01 0.00 0.00 42.92 42.64 2kgk s ASP 10 CO -0.29 -0.77 1.82 1.05 0.21 0.00 0.00 175.17 177.19 2kgk h GLU 11 N 8.33 0.00 0.00 8.23 -0.00 -1.50 -1.31 114.58 128.33 2kgk h GLU 11 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.03 2kgk h GLU 11 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.90 2kgk h GLU 11 CO 0.94 0.00 -0.86 0.09 -0.00 0.00 0.00 179.01 179.18 2kgk n ASN 12 N -3.52 2.74 0.00 3.06 3.02 -1.26 -5.02 115.26 114.28 2kgk n ASN 12 Ca 0.08 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2kgk n ASN 12 Cb 0.73 1.13 0.00 0.00 -0.61 0.00 0.00 39.78 41.02 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 -1.46 0.00 0.00 3.52 3.00 -0.49 -4.73 116.66 116.50 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 0.09 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.55 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 -1.08 -2.00 118.33 119.95 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 -1.83 0.00 -3.05 1.55 -5.35 -1.18 -2.11 119.36 107.39 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 -0.02 -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 -1.59 1.77 -0.03 3.28 0.00 -1.18 -4.14 107.32 105.42 2kgk s GLY 16 Ca 0.00 -2.30 0.14 0.00 0.00 0.00 0.00 44.72 42.56 2kgk s GLY 16 CO 0.00 1.72 0.64 0.58 0.00 0.00 0.00 173.10 176.04 2kgk n LYS 17 N 6.49 0.63 -2.88 2.90 -0.00 -0.92 -1.53 118.16 122.85 2kgk n LYS 17 Ca -0.02 0.24 0.01 0.00 -0.00 0.00 0.00 58.31 58.54 2kgk n LYS 17 Cb 0.44 -1.77 0.00 0.00 -0.00 0.00 0.00 35.03 33.71 2kgk n LYS 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2kgk s ASP 18 N -5.93 -0.65 -0.77 -5.58 2.15 -1.26 -1.78 116.67 102.85 2kgk s ASP 18 Ca -0.05 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.57 2kgk s ASP 18 Cb 0.08 0.84 0.00 0.00 -0.30 0.00 0.00 42.92 43.54 2kgk s ASP 18 CO 0.82 -0.07 0.00 0.59 -0.17 0.00 0.00 175.17 176.34 2kgk n ASN 19 N 3.82 -2.60 0.00 -0.34 3.02 -1.26 -4.69 115.26 113.20 2kgk n ASN 19 Ca 0.07 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2kgk n ASN 19 Cb 0.62 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.42 2kgk n ASN 19 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2kgk n ASN 20 N 0.21 0.00 -4.83 6.41 6.94 -1.26 -4.42 115.26 118.31 2kgk n ASN 20 Ca -0.07 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.20 2kgk n ASN 20 Cb 0.30 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.66 2kgk n ASN 20 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 2kgk s LEU 21 N 0.00 3.99 0.84 -4.53 2.34 -1.26 -2.16 118.68 117.90 2kgk s LEU 21 Ca 0.00 0.03 -0.11 0.00 0.06 0.00 0.00 54.13 54.11 2kgk s LEU 21 Cb 0.00 -2.61 0.10 0.00 -0.56 0.00 0.00 46.19 43.11 2kgk s LEU 21 CO 0.00 0.12 1.09 -2.16 -1.06 0.00 0.00 176.35 174.34 2kgk s PRO 22 N -2.76 1.67 0.79 1.48 0.04 -1.26 -5.02 135.00 129.94 2kgk s PRO 22 Ca 0.32 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 2kgk s PRO 22 Cb -0.11 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.65 2kgk s PRO 22 CO 0.24 -2.01 1.15 -1.58 0.04 0.00 0.00 177.00 174.84 2kgk s TRP 23 N -2.89 3.01 -0.30 0.56 0.51 -1.26 -5.08 118.94 113.49 2kgk s TRP 23 Ca 0.63 0.85 -0.10 0.00 -2.12 0.00 0.00 56.10 55.36 2kgk s TRP 23 Cb -0.18 -3.36 0.18 0.00 -0.81 0.00 0.00 33.47 29.30 2kgk s TRP 23 CO 0.57 -1.66 0.96 0.50 -0.51 0.00 0.00 176.95 176.80 2kgk s ARG 24 N -5.48 0.25 -0.89 4.98 3.52 -1.26 -5.01 118.95 115.06 2kgk s ARG 24 Ca 0.61 0.39 -0.06 0.00 -0.13 0.00 0.00 55.73 56.53 2kgk s ARG 24 Cb -0.11 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 2kgk s ARG 24 CO 0.50 -0.34 0.65 1.28 -0.81 0.00 0.00 175.30 176.58 2kgk n LEU 25 N 5.38 -2.53 -0.32 -0.88 7.99 -1.26 -4.68 117.00 120.70 2kgk n LEU 25 Ca -0.01 -0.88 0.28 0.00 -0.01 0.00 0.00 56.01 55.39 2kgk n LEU 25 Cb 0.54 -1.96 0.61 0.00 -0.11 0.00 0.00 43.42 42.51 2kgk n LEU 25 CO -0.10 0.21 1.26 -0.65 -1.51 0.00 0.00 177.39 176.60 2kgk h PRO 26 N -0.62 0.21 -0.18 3.23 0.11 -1.95 0.09 132.00 132.89 2kgk h PRO 26 Ca -0.55 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 2kgk h PRO 26 Cb 1.34 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2kgk h PRO 26 CO 0.39 0.14 0.01 0.66 -0.21 0.00 0.00 178.00 178.99 2kgk h SER 27 N 0.22 0.31 -0.74 -2.05 4.64 -2.01 -2.98 113.55 110.95 2kgk h SER 27 Ca 0.59 -0.29 0.09 0.00 -0.47 0.00 0.00 61.79 61.71 2kgk h SER 27 Cb 1.84 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 63.77 2kgk h SER 27 CO -0.19 0.52 0.38 -0.08 -0.87 0.00 0.00 176.83 176.60 2kgk h GLU 28 N 0.09 0.63 -0.46 4.77 4.22 -1.29 0.14 114.58 122.67 2kgk h GLU 28 Ca 0.05 -0.04 0.10 0.00 0.08 0.00 0.00 59.36 59.56 2kgk h GLU 28 Cb 0.36 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2kgk h GLU 28 CO 0.01 0.42 0.32 1.37 -2.18 0.00 0.00 179.01 178.95 2kgk h LEU 29 N 0.65 0.15 -0.02 1.64 8.10 -1.35 0.14 115.31 124.61 2kgk h LEU 29 Ca 0.36 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.30 2kgk h LEU 29 Cb 0.36 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 2kgk h LEU 29 CO -0.26 0.09 -0.21 1.56 -4.11 0.00 0.00 178.44 175.50 2kgk h GLN 30 N 0.17 0.18 0.33 0.17 1.08 -0.63 -2.16 115.11 114.25 2kgk h GLN 30 Ca 0.22 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2kgk h GLN 30 Cb 0.64 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2kgk h GLN 30 CO -0.03 0.86 -0.20 1.88 -0.95 0.00 0.00 178.83 180.39 2kgk h TYR 31 N -0.45 -0.53 -0.59 2.96 -1.99 -0.45 -1.32 116.97 114.60 2kgk h TYR 31 Ca -0.02 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.75 2kgk h TYR 31 Cb 0.92 0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.81 2kgk h TYR 31 CO 0.16 -0.31 0.39 -0.24 -0.00 0.00 0.00 178.16 178.16 2kgk h VAL 32 N -0.51 1.03 0.44 -2.88 3.04 -1.12 -1.39 116.25 114.86 2kgk h VAL 32 Ca -0.03 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.42 2kgk h VAL 32 Cb 0.42 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 2kgk h VAL 32 CO 0.03 0.11 -0.21 0.50 -1.01 0.00 0.00 177.57 177.00 2kgk h LYS 33 N 0.62 -0.57 0.00 4.17 3.64 -0.81 -2.39 116.57 121.24 2kgk h LYS 33 Ca 0.25 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2kgk h LYS 33 Cb 0.20 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2kgk h LYS 33 CO -0.07 -0.38 0.01 0.36 -2.27 0.00 0.00 179.45 177.10 2kgk n LYS 34 N -3.75 0.08 -0.00 1.90 2.85 -0.55 -0.05 118.16 118.63 2kgk n LYS 34 Ca -0.07 0.57 -0.06 0.00 -1.05 0.00 0.00 58.31 57.70 2kgk n LYS 34 Cb 0.23 -1.78 -0.04 0.00 -0.65 0.00 0.00 35.03 32.79 2kgk n LYS 34 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2kgk h THR 35 N 0.00 0.51 -0.68 0.58 2.02 -0.94 -3.36 112.91 111.04 2kgk h THR 35 Ca 0.00 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.94 2kgk h THR 35 Cb 0.03 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2kgk h THR 35 CO 0.00 0.16 0.00 1.07 0.37 0.00 0.00 175.52 177.12 2kgk n THR 36 N -4.82 1.34 -1.32 3.16 5.66 -0.93 -5.01 114.28 112.37 2kgk n THR 36 Ca -0.04 -1.09 -0.38 0.00 -3.05 0.00 0.00 64.05 59.49 2kgk n THR 36 Cb 0.17 0.35 0.04 0.00 -1.55 0.00 0.00 70.33 69.33 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 1.36 0.26 -0.01 1.09 3.85 0.93 -2.44 117.12 122.16 2kgk n MET 37 Ca 0.24 0.11 0.00 0.00 -1.00 0.00 0.00 57.70 57.05 2kgk n MET 37 Cb 0.72 -1.44 0.00 0.00 -1.05 0.00 0.00 33.22 31.45 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 2.11 0.82 3.85 3.17 0.00 -0.86 -5.04 105.19 109.25 2kgk n GLY 38 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.29 3.39 -0.28 1.61 3.76 -1.02 -4.99 115.29 115.48 2kgk s HIS 39 Ca 0.00 1.19 -0.29 0.00 -0.15 0.00 0.00 55.06 55.81 2kgk s HIS 39 Cb 0.00 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.15 2kgk s HIS 39 CO 0.00 0.13 1.79 -1.25 -0.85 0.00 0.00 174.74 174.55 2kgk s PRO 40 N -2.91 3.48 -0.32 8.40 0.04 -1.26 -4.68 135.00 137.75 2kgk s PRO 40 Ca 0.53 1.59 -0.10 0.00 0.04 0.00 0.00 61.00 63.05 2kgk s PRO 40 Cb -0.11 -4.16 -0.00 0.00 0.04 0.00 0.00 34.50 30.27 2kgk s PRO 40 CO 0.18 -1.68 0.17 -0.51 0.04 0.00 0.00 177.00 175.20 2kgk s LEU 41 N 6.42 4.22 -0.14 -3.56 2.01 -1.02 -2.42 118.68 124.18 2kgk s LEU 41 Ca 0.79 -0.56 -0.10 0.00 0.01 0.00 0.00 54.13 54.27 2kgk s LEU 41 Cb -0.25 -2.02 -0.05 0.00 0.01 0.00 0.00 46.19 43.89 2kgk s LEU 41 CO 0.33 -0.22 0.20 -0.63 1.01 0.00 0.00 176.35 177.04 2kgk s ILE 42 N 1.62 5.38 0.16 -0.59 1.09 -1.02 0.36 121.20 128.19 2kgk s ILE 42 Ca 0.04 0.35 -0.04 0.00 -1.10 0.00 0.00 60.65 59.91 2kgk s ILE 42 Cb -0.17 -3.51 -0.03 0.00 -1.06 0.00 0.00 42.46 37.68 2kgk s ILE 42 CO 0.07 0.50 0.15 -0.04 -0.10 0.00 0.00 174.94 175.51 2kgk s MET 43 N -0.20 1.06 -0.01 2.79 -1.94 0.17 0.44 119.30 121.61 2kgk s MET 43 Ca 0.14 -1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 52.60 2kgk s MET 43 Cb -0.12 0.29 -0.05 0.00 2.01 0.00 0.00 34.83 36.95 2kgk s MET 43 CO 0.03 -0.34 0.35 0.20 -0.01 0.00 0.00 175.02 175.25 2kgk s GLY 44 N -3.05 2.39 0.55 -0.03 0.00 -0.40 -0.32 107.32 106.46 2kgk s GLY 44 Ca 0.25 -0.33 0.33 0.00 0.00 0.00 0.00 44.72 44.97 2kgk s GLY 44 CO 0.04 -0.01 1.84 0.07 0.00 0.00 0.00 173.10 175.03 2kgk h ARG 45 N 4.62 0.00 -0.16 2.90 0.11 -1.91 0.55 114.38 120.49 2kgk h ARG 45 Ca -0.52 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.37 2kgk h ARG 45 Cb 1.22 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.31 2kgk h ARG 45 CO 0.61 0.00 -0.64 0.87 0.10 0.00 0.00 179.97 180.92 2kgk h LYS 46 N 0.00 0.72 0.00 0.08 1.79 -1.92 -2.75 116.57 114.49 2kgk h LYS 46 Ca 0.45 -0.56 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 2kgk h LYS 46 Cb 1.90 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 32.65 2kgk h LYS 46 CO -0.00 1.17 -0.21 -0.91 -1.08 0.00 0.00 179.45 178.42 2kgk h ASN 47 N 0.43 0.00 0.26 0.86 2.35 -0.37 -1.97 115.58 117.13 2kgk h ASN 47 Ca -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2kgk h ASN 47 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2kgk h ASN 47 CO 0.13 0.21 -0.12 0.22 -1.65 0.00 0.00 177.43 176.22 2kgk h TYR 48 N 0.00 -0.32 0.00 1.19 3.20 -0.55 -0.74 116.97 119.75 2kgk h TYR 48 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2kgk h TYR 48 Cb 0.82 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 2kgk h TYR 48 CO 0.00 0.05 -0.15 1.05 -1.64 0.00 0.00 178.16 177.47 2kgk h GLU 49 N -0.84 0.00 0.05 1.82 4.11 -1.52 -2.22 114.58 115.98 2kgk h GLU 49 Ca -0.04 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.14 2kgk h GLU 49 Cb 0.51 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 2kgk h GLU 49 CO 0.06 0.15 -1.04 0.00 0.07 0.00 0.00 179.01 178.25 2kgk h ALA 50 N 1.85 0.06 -0.00 1.06 0.00 -1.34 -3.34 119.26 117.55 2kgk h ALA 50 Ca -0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 2kgk h ALA 50 Cb 0.63 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kgk h ALA 50 CO 0.02 0.62 -0.00 0.82 0.00 0.00 0.00 179.25 180.71 2kgk h ILE 51 N 0.25 1.43 0.00 0.00 2.04 -0.99 -3.40 117.51 116.84 2kgk h ILE 51 Ca -0.14 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.46 2kgk h ILE 51 Cb 1.72 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 2kgk h ILE 51 CO 0.20 0.33 0.00 0.61 0.00 0.00 0.00 178.15 179.29 2kgk n GLY 52 N 0.35 0.89 2.98 5.37 0.00 -0.85 -4.90 105.19 109.03 2kgk n GLY 52 Ca -0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2kgk n GLY 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kgk n ARG 53 N 0.00 -1.96 -2.41 1.61 0.63 -1.13 -5.03 116.66 108.38 2kgk n ARG 53 Ca 0.00 1.84 -0.24 0.00 -0.92 0.00 0.00 57.85 58.53 2kgk n ARG 53 Cb 0.00 -5.50 0.08 0.00 0.45 0.00 0.00 32.46 27.48 2kgk n ARG 53 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kgk s PRO 54 N -2.80 2.08 -0.37 -0.14 0.04 -1.26 -5.06 135.00 127.48 2kgk s PRO 54 Ca 0.16 -0.63 0.07 0.00 0.04 0.00 0.00 61.00 60.64 2kgk s PRO 54 Cb -0.04 -2.29 0.30 0.00 0.04 0.00 0.00 34.50 32.51 2kgk s PRO 54 CO 0.77 -1.20 1.28 1.47 0.04 0.00 0.00 177.00 179.36 2kgk n LEU 55 N -2.78 -1.65 -3.46 -3.56 -0.00 -1.26 -4.76 117.00 99.52 2kgk n LEU 55 Ca 0.10 -2.97 -0.41 0.00 -0.00 0.00 0.00 56.01 52.73 2kgk n LEU 55 Cb 0.60 0.26 -0.11 0.00 -0.00 0.00 0.00 43.42 44.17 2kgk n LEU 55 CO 0.47 1.68 1.43 -0.81 -0.00 0.00 0.00 177.39 180.16 2kgk n PRO 56 N -0.62 0.00 0.00 1.47 -0.04 -1.26 -0.92 135.00 133.63 2kgk n PRO 56 Ca -0.10 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 2kgk n PRO 56 Cb 0.79 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 4.90 0.49 2.92 0.55 0.00 -1.26 -4.71 105.19 108.08 2kgk n GLY 57 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 -1.92 -3.33 1.61 0.63 -0.09 -2.03 116.66 111.53 2kgk n ARG 58 Ca 0.00 0.61 -0.26 0.00 -0.92 0.00 0.00 57.85 57.28 2kgk n ARG 58 Cb 0.00 -5.06 -0.09 0.00 0.45 0.00 0.00 32.46 27.76 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 0.47 0.56 -3.36 -0.14 3.00 -1.26 -4.97 116.66 110.96 2kgk n ARG 59 Ca -0.03 -3.30 -0.39 0.00 -0.00 0.00 0.00 57.85 54.12 2kgk n ARG 59 Cb 0.52 -1.52 -0.09 0.00 0.00 0.00 0.00 32.46 31.37 2kgk n ARG 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kgk s ASN 60 N -0.63 6.30 -0.21 6.15 2.20 -1.26 -2.45 114.94 125.04 2kgk s ASN 60 Ca 0.34 0.35 -0.00 0.00 -0.94 0.00 0.00 52.86 52.60 2kgk s ASN 60 Cb 0.10 -2.23 0.02 0.00 -2.00 0.00 0.00 41.25 37.14 2kgk s ASN 60 CO -0.15 -0.20 -0.13 -0.63 -2.94 0.00 0.00 177.10 173.05 2kgk s ILE 61 N 2.09 2.49 -0.12 0.54 -1.09 0.16 -2.52 121.20 122.75 2kgk s ILE 61 Ca 0.16 -0.96 -0.07 0.00 -2.23 0.00 0.00 60.65 57.56 2kgk s ILE 61 Cb -0.16 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 2kgk s ILE 61 CO 0.10 0.38 0.13 0.27 -1.23 0.00 0.00 174.94 174.58 2kgk s ILE 62 N 1.31 5.39 -0.32 2.92 -4.36 -0.22 0.46 121.20 126.38 2kgk s ILE 62 Ca 0.02 0.16 -0.11 0.00 -0.26 0.00 0.00 60.65 60.47 2kgk s ILE 62 Cb -0.15 -3.35 -0.01 0.00 1.25 0.00 0.00 42.46 40.20 2kgk s ILE 62 CO -0.08 0.61 0.19 -0.69 0.24 0.00 0.00 174.94 175.20 2kgk s VAL 63 N -0.96 4.90 -0.14 8.37 1.01 0.56 -1.03 120.40 133.11 2kgk s VAL 63 Ca 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 2kgk s VAL 63 Cb -0.12 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.83 2kgk s VAL 63 CO 0.04 0.06 0.32 0.28 0.00 0.00 0.00 175.10 175.80 2kgk s THR 64 N 1.66 -0.17 -0.28 3.92 -1.32 -0.83 -3.72 115.64 114.91 2kgk s THR 64 Ca 0.05 0.16 -0.25 0.00 -1.21 0.00 0.00 61.69 60.43 2kgk s THR 64 Cb -0.17 -0.50 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 2kgk s THR 64 CO 0.08 0.06 0.88 0.00 -2.21 0.00 0.00 174.62 173.44 2kgk s ARG 65 N 1.66 4.09 0.00 7.08 1.70 -1.26 -4.47 118.95 127.75 2kgk s ARG 65 Ca -0.07 0.89 0.00 0.00 -0.47 0.00 0.00 55.73 56.08 2kgk s ARG 65 Cb -0.10 -3.69 0.00 0.00 -0.57 0.00 0.00 34.95 30.59 2kgk s ARG 65 CO -0.10 -0.66 0.00 0.09 -1.08 0.00 0.00 175.30 173.55 2kgk n ASN 66 N 6.27 0.00 -4.64 -2.89 3.02 -1.26 -5.05 115.26 110.71 2kgk n ASN 66 Ca 0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.19 2kgk n ASN 66 Cb 0.47 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.62 2kgk n ASN 66 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kgk s GLU 67 N 0.00 4.01 0.00 3.52 2.02 -1.26 -2.33 118.70 124.66 2kgk s GLU 67 Ca 0.00 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.52 2kgk s GLU 67 Cb 0.00 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.35 2kgk s GLU 67 CO 0.00 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.69 2kgk n GLY 68 N 4.14 0.54 3.77 -1.39 0.00 -1.26 -5.06 105.19 105.92 2kgk n GLY 68 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 3.06 -0.21 1.61 5.04 -0.98 -5.02 117.35 118.85 2kgk s TYR 69 Ca 0.00 1.37 -0.09 0.00 -2.44 0.00 0.00 57.07 55.91 2kgk s TYR 69 Cb 0.00 -3.68 0.08 0.00 0.35 0.00 0.00 41.96 38.71 2kgk s TYR 69 CO 0.00 -1.92 0.48 -3.38 -1.34 0.00 0.00 175.55 169.39 2kgk s HIS 70 N -0.96 -0.82 -0.34 4.97 -3.43 -1.26 -4.94 115.29 108.52 2kgk s HIS 70 Ca 0.50 1.60 0.00 0.00 -0.80 0.00 0.00 55.06 56.37 2kgk s HIS 70 Cb -0.40 0.39 0.08 0.00 -1.43 0.00 0.00 32.58 31.22 2kgk s HIS 70 CO 0.51 -0.46 0.05 0.08 -2.00 0.00 0.00 174.74 172.93 2kgk s VAL 71 N 2.07 2.76 -0.46 -5.38 1.01 -1.26 -5.05 120.40 114.08 2kgk s VAL 71 Ca -0.06 -1.87 -0.27 0.00 0.00 0.00 0.00 61.98 59.78 2kgk s VAL 71 Cb -0.10 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2kgk s VAL 71 CO -0.14 -0.39 2.25 -1.61 0.00 0.00 0.00 175.10 175.20 2kgk s GLU 72 N 1.10 2.41 0.00 2.72 2.02 -1.26 -1.66 118.70 124.03 2kgk s GLU 72 Ca 0.02 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.37 2kgk s GLU 72 Cb -0.20 -4.50 0.00 0.00 0.10 0.00 0.00 34.13 29.53 2kgk s GLU 72 CO -0.04 -2.93 0.00 0.41 0.02 0.00 0.00 175.26 172.71 2kgk n GLY 73 N 5.88 2.08 3.25 -1.39 0.00 -1.26 -5.12 105.19 108.64 2kgk n GLY 73 Ca 0.32 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.54 4.31 0.33 0.00 0.41 -1.05 -4.41 118.70 114.75 2kgk s GLU 75 Ca 0.16 0.69 -0.19 0.00 -0.41 0.00 0.00 54.97 55.21 2kgk s GLU 75 Cb 0.01 -3.51 -0.09 0.00 -1.78 0.00 0.00 34.13 28.75 2kgk s GLU 75 CO 0.01 -0.08 0.82 0.54 -0.49 0.00 0.00 175.26 176.07 2kgk s VAL 76 N 1.35 4.51 0.11 2.63 0.11 -1.26 -1.06 120.40 126.78 2kgk s VAL 76 Ca 0.31 1.30 -0.01 0.00 -2.93 0.00 0.00 61.98 60.66 2kgk s VAL 76 Cb -0.16 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2kgk s VAL 76 CO 0.13 -0.09 0.03 0.00 -3.33 0.00 0.00 175.10 171.84 2kgk s ALA 77 N -1.88 0.79 1.01 1.54 0.00 -0.20 -4.89 121.76 118.13 2kgk s ALA 77 Ca 0.53 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 2kgk s ALA 77 Cb -0.13 0.68 0.22 0.00 0.00 0.00 0.00 23.12 23.90 2kgk s ALA 77 CO 0.18 -0.44 1.32 -1.01 0.00 0.00 0.00 175.76 175.80 2kgk s HIS 78 N -3.99 1.30 0.61 0.00 3.76 -1.26 -1.97 115.29 113.74 2kgk s HIS 78 Ca 0.19 0.28 -0.09 0.00 -0.15 0.00 0.00 55.06 55.29 2kgk s HIS 78 Cb 0.08 -4.12 0.14 0.00 1.11 0.00 0.00 32.58 29.79 2kgk s HIS 78 CO -0.02 -2.90 0.32 0.45 -0.85 0.00 0.00 174.74 171.74 2kgk n SER 79 N -3.94 -2.53 0.21 1.40 2.88 -1.26 -4.29 113.62 106.08 2kgk n SER 79 Ca 0.16 -0.32 0.17 0.00 -1.33 0.00 0.00 58.87 57.55 2kgk n SER 79 Cb 0.59 -0.44 0.83 0.00 -0.75 0.00 0.00 64.21 64.45 2kgk n SER 79 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2kgk h VAL 80 N -2.47 0.44 0.23 2.46 3.04 -1.96 -2.32 116.25 115.67 2kgk h VAL 80 Ca -0.14 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.56 2kgk h VAL 80 Cb 0.49 0.83 -0.04 0.00 -2.01 0.00 0.00 31.29 30.56 2kgk h VAL 80 CO 0.09 0.00 -0.38 -0.33 -1.01 0.00 0.00 177.57 175.93 2kgk h GLU 81 N 0.00 -0.66 -0.43 4.17 5.08 -2.01 0.25 114.58 120.98 2kgk h GLU 81 Ca 0.09 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 2kgk h GLU 81 Cb 0.51 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2kgk h GLU 81 CO -0.00 -0.44 -0.10 1.49 -1.00 0.00 0.00 179.01 178.96 2kgk h GLU 82 N -0.69 0.76 -0.41 2.33 4.57 -1.69 -2.69 114.58 116.77 2kgk h GLU 82 Ca 0.00 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 2kgk h GLU 82 Cb 0.67 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 2kgk h GLU 82 CO -0.16 0.84 0.17 0.28 -1.18 0.00 0.00 179.01 178.96 2kgk h VAL 83 N 0.70 1.15 -0.08 0.32 2.07 -1.14 -0.03 116.25 119.24 2kgk h VAL 83 Ca 0.12 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.21 2kgk h VAL 83 Cb 0.57 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2kgk h VAL 83 CO 0.03 0.18 -0.18 0.15 0.02 0.00 0.00 177.57 177.78 2kgk h PHE 84 N 0.58 -0.46 -0.07 1.57 3.57 -0.17 -0.82 116.94 121.14 2kgk h PHE 84 Ca 0.14 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.44 2kgk h PHE 84 Cb 0.11 0.22 0.02 0.00 2.79 0.00 0.00 35.95 39.08 2kgk h PHE 84 CO 0.01 -0.25 -0.85 1.05 -2.23 0.00 0.00 178.31 176.03 2kgk h GLU 85 N -0.25 0.70 -0.35 1.11 4.11 -1.56 -3.15 114.58 115.20 2kgk h GLU 85 Ca 0.08 -0.66 0.10 0.00 0.07 0.00 0.00 59.36 58.96 2kgk h GLU 85 Cb 0.36 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kgk h GLU 85 CO -0.23 1.26 0.31 -0.07 0.07 0.00 0.00 179.01 180.34 2kgk h LEU 86 N 0.38 0.00 -0.37 3.06 4.07 -0.79 -1.02 115.31 120.64 2kgk h LEU 86 Ca -0.09 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.79 2kgk h LEU 86 Cb 1.50 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.23 2kgk h LEU 86 CO 0.17 0.00 -0.09 0.00 -1.08 0.00 0.00 178.44 177.44 2kgk n LYS 88 N -4.37 0.18 0.17 0.00 2.85 -0.39 -2.04 118.16 114.55 2kgk n LYS 88 Ca -0.02 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.27 2kgk n LYS 88 Cb 0.35 -1.48 0.27 0.00 -0.65 0.00 0.00 35.03 33.52 2kgk n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2kgk h ASN 89 N 0.00 0.00 -4.51 -5.58 4.21 -1.48 -3.44 115.58 104.78 2kgk h ASN 89 Ca 0.00 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.29 2kgk h ASN 89 Cb 0.00 0.00 -0.24 0.00 -1.12 0.00 0.00 38.32 36.96 2kgk h ASN 89 CO 0.00 0.48 -0.72 -1.61 -1.29 0.00 0.00 177.43 174.29 2kgk s GLU 90 N -3.66 0.30 0.07 0.81 0.41 -0.87 -5.05 118.70 110.71 2kgk s GLU 90 Ca -0.01 -0.45 -0.19 0.00 -0.41 0.00 0.00 54.97 53.92 2kgk s GLU 90 Cb 0.12 -0.06 -0.10 0.00 -1.78 0.00 0.00 34.13 32.31 2kgk s GLU 90 CO 0.72 0.00 1.46 1.05 -0.49 0.00 0.00 175.26 178.01 2kgk h GLU 91 N 5.13 0.45 -4.67 1.61 4.11 -1.86 -3.41 114.58 115.94 2kgk h GLU 91 Ca -0.30 -0.17 -0.69 0.00 0.07 0.00 0.00 59.36 58.26 2kgk h GLU 91 Cb 1.21 -0.02 -0.22 0.00 0.50 0.00 0.00 28.75 30.21 2kgk h GLU 91 CO 0.44 0.69 -0.51 -1.21 0.07 0.00 0.00 179.01 178.49 2kgk s GLU 92 N -4.74 3.18 0.02 1.06 2.02 -1.26 -0.15 118.70 118.83 2kgk s GLU 92 Ca -0.14 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.02 2kgk s GLU 92 Cb 0.07 -3.73 -0.02 0.00 0.10 0.00 0.00 34.13 30.55 2kgk s GLU 92 CO 0.76 -0.55 -0.05 0.96 0.02 0.00 0.00 175.26 176.39 2kgk s ILE 93 N 1.63 0.35 -0.15 -1.63 -4.36 -1.01 -4.61 121.20 111.43 2kgk s ILE 93 Ca 0.04 -0.79 -0.01 0.00 -0.26 0.00 0.00 60.65 59.63 2kgk s ILE 93 Cb -0.18 -0.42 -0.02 0.00 1.25 0.00 0.00 42.46 43.10 2kgk s ILE 93 CO 0.08 -0.29 -0.10 -0.36 0.24 0.00 0.00 174.94 174.51 2kgk s PHE 94 N -1.06 2.88 -0.21 1.37 0.40 -1.02 -2.23 117.98 118.11 2kgk s PHE 94 Ca -0.09 -0.66 -0.03 0.00 -0.60 0.00 0.00 56.93 55.55 2kgk s PHE 94 Cb -0.08 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 2kgk s PHE 94 CO -0.00 -0.25 -0.05 0.42 0.70 0.00 0.00 175.22 176.03 2kgk s ILE 95 N 0.58 3.37 -0.14 0.64 -1.09 0.90 -2.45 121.20 123.02 2kgk s ILE 95 Ca -0.06 -0.50 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 2kgk s ILE 95 Cb -0.15 -2.52 -0.12 0.00 -1.58 0.00 0.00 42.46 38.09 2kgk s ILE 95 CO 0.03 0.44 -0.06 0.33 -1.23 0.00 0.00 174.94 174.45 2kgk n PHE 96 N 4.57 0.00 0.00 3.97 -0.00 0.17 -1.87 117.46 124.29 2kgk n PHE 96 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.27 2kgk n PHE 96 Cb 0.51 -0.58 0.00 0.00 -0.00 0.00 0.00 39.48 39.41 2kgk n PHE 96 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2kgk n GLY 97 N 2.57 0.33 0.00 7.13 0.00 0.72 -4.77 105.19 111.17 2kgk n GLY 97 Ca -0.23 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.75 0.27 -0.02 0.00 -1.26 -1.28 105.19 102.16 2kgk n GLY 98 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.85 -0.65 4.61 0.00 -1.98 0.98 119.26 121.38 2kgk h ALA 99 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2kgk h ALA 99 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2kgk h ALA 99 CO 0.00 -0.80 0.43 -0.56 0.00 0.00 0.00 179.25 178.32 2kgk h GLN 100 N -0.88 0.52 -0.00 0.00 3.07 -1.99 0.55 115.11 116.38 2kgk h GLN 100 Ca -0.07 -0.03 -0.18 0.00 0.09 0.00 0.00 58.65 58.46 2kgk h GLN 100 Cb 0.50 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 2kgk h GLN 100 CO 0.11 0.35 -0.82 0.82 0.09 0.00 0.00 178.83 179.37 2kgk h ILE 101 N 0.54 1.53 -0.27 1.86 2.04 -1.91 -2.52 117.51 118.77 2kgk h ILE 101 Ca 0.29 -2.64 -0.02 0.00 1.00 0.00 0.00 64.86 63.49 2kgk h ILE 101 Cb 0.44 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2kgk h ILE 101 CO -0.09 0.76 0.06 0.22 0.00 0.00 0.00 178.15 179.10 2kgk h TYR 102 N 0.06 0.38 0.17 1.37 5.03 0.33 -0.44 116.97 123.87 2kgk h TYR 102 Ca -0.02 -0.02 -0.22 0.00 2.58 0.00 0.00 58.73 61.05 2kgk h TYR 102 Cb 1.44 -0.12 0.02 0.00 1.55 0.00 0.00 36.73 39.62 2kgk h TYR 102 CO 0.01 0.35 -0.98 0.22 -1.32 0.00 0.00 178.16 176.44 2kgk h ASP 103 N 0.38 0.55 0.10 -2.11 3.58 -1.32 -2.65 116.42 114.96 2kgk h ASP 103 Ca 0.09 -0.95 -0.05 0.00 0.42 0.00 0.00 57.03 56.55 2kgk h ASP 103 Cb 0.16 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2kgk h ASP 103 CO -0.00 1.47 -0.16 -0.07 -2.88 0.00 0.00 179.24 177.60 2kgk h LEU 104 N -0.26 0.12 -3.20 2.28 4.07 -1.21 -2.04 115.31 115.07 2kgk h LEU 104 Ca -0.17 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2kgk h LEU 104 Cb 1.76 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.47 2kgk h LEU 104 CO 0.18 0.30 0.00 0.33 -1.08 0.00 0.00 178.44 178.16 2kgk n PHE 105 N -4.29 1.45 -0.04 1.13 7.35 -0.20 -4.44 117.46 118.43 2kgk n PHE 105 Ca -0.01 -0.65 -0.05 0.00 -0.76 0.00 0.00 57.45 55.98 2kgk n PHE 105 Cb 0.26 -0.28 0.17 0.00 0.35 0.00 0.00 39.48 39.98 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 3.68 0.61 -1.05 -2.13 5.85 -0.98 -0.31 115.31 120.98 2kgk h LEU 106 Ca 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2kgk h LEU 106 Cb 1.49 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2kgk h LEU 106 CO 0.26 0.81 0.00 -0.81 -0.34 0.00 0.00 178.44 178.35 2kgk n PRO 107 N -4.14 1.69 0.00 5.25 -0.04 -1.26 -3.78 135.00 132.71 2kgk n PRO 107 Ca 0.00 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 2kgk n PRO 107 Cb 0.38 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2kgk n PRO 107 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2kgk n TYR 108 N 0.28 0.00 -2.94 0.54 4.19 -0.97 -5.03 117.16 113.23 2kgk n TYR 108 Ca 0.15 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 60.99 2kgk n TYR 108 Cb 0.30 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.07 2kgk n TYR 108 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2kgk s VAL 109 N -1.86 4.39 -0.25 2.97 1.01 -0.17 -4.87 120.40 121.62 2kgk s VAL 109 Ca 0.00 1.56 -0.16 0.00 0.00 0.00 0.00 61.98 63.38 2kgk s VAL 109 Cb 0.00 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 2kgk s VAL 109 CO 0.00 0.17 -0.22 -0.67 0.00 0.00 0.00 175.10 174.38 2kgk n ASP 110 N 0.64 1.93 -4.65 3.32 -0.08 0.81 -4.79 116.55 113.73 2kgk n ASP 110 Ca -0.00 0.37 -0.35 0.00 -1.51 0.00 0.00 54.79 53.30 2kgk n ASP 110 Cb 0.51 -0.85 -0.10 0.00 2.34 0.00 0.00 41.12 43.01 2kgk n ASP 110 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2kgk s LYS 111 N -2.49 3.28 -0.11 -0.67 3.01 0.56 -1.32 119.74 122.00 2kgk s LYS 111 Ca -0.35 -0.41 -0.00 0.00 -1.01 0.00 0.00 55.97 54.20 2kgk s LYS 111 Cb 0.12 -2.89 0.02 0.00 -1.01 0.00 0.00 37.83 34.07 2kgk s LYS 111 CO 0.50 0.55 -0.09 -1.17 0.51 0.00 0.00 175.35 175.66 2kgk s LEU 112 N -0.46 1.30 -0.15 3.17 2.96 0.82 -0.47 118.68 125.85 2kgk s LEU 112 Ca 0.08 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2kgk s LEU 112 Cb -0.12 -0.89 -0.00 0.00 0.50 0.00 0.00 46.19 45.68 2kgk s LEU 112 CO 0.02 -0.10 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.48 2kgk s TYR 113 N 1.59 2.76 -0.06 5.38 2.02 0.15 -0.20 117.35 129.00 2kgk s TYR 113 Ca 0.03 -1.02 0.04 0.00 -0.37 0.00 0.00 57.07 55.75 2kgk s TYR 113 Cb -0.13 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 2kgk s TYR 113 CO -0.08 -0.45 -0.17 0.42 -1.57 0.00 0.00 175.55 173.70 2kgk s ILE 114 N 0.73 1.44 -0.33 2.71 1.09 -1.18 -2.07 121.20 123.60 2kgk s ILE 114 Ca -0.07 -0.70 -0.05 0.00 -1.10 0.00 0.00 60.65 58.73 2kgk s ILE 114 Cb -0.16 -1.25 0.04 0.00 -1.06 0.00 0.00 42.46 40.03 2kgk s ILE 114 CO 0.01 0.42 0.07 -0.89 -0.10 0.00 0.00 174.94 174.45 2kgk s THR 115 N 0.22 3.54 -0.27 2.92 2.01 -0.77 -1.68 115.64 121.60 2kgk s THR 115 Ca -0.08 -1.21 -0.27 0.00 0.31 0.00 0.00 61.69 60.44 2kgk s THR 115 Cb -0.13 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.37 2kgk s THR 115 CO 0.03 -0.15 0.98 -0.75 -0.69 0.00 0.00 174.62 174.03 2kgk s LYS 116 N 1.36 4.14 -0.13 4.92 2.20 -0.35 1.00 119.74 132.87 2kgk s LYS 116 Ca -0.03 1.07 -0.03 0.00 -0.36 0.00 0.00 55.97 56.63 2kgk s LYS 116 Cb -0.20 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.41 2kgk s LYS 116 CO 0.02 -0.71 -0.04 0.42 -0.36 0.00 0.00 175.35 174.68 2kgk s ILE 117 N 3.25 3.92 -1.21 5.43 1.01 -0.02 -0.78 121.20 132.80 2kgk s ILE 117 Ca 0.41 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 2kgk s ILE 117 Cb -0.14 -2.69 0.11 0.00 0.01 0.00 0.00 42.46 39.75 2kgk s ILE 117 CO 0.10 0.53 2.44 1.57 0.00 0.00 0.00 174.94 179.58 2kgk n HIS 118 N 3.12 2.46 -3.17 3.97 -0.00 -0.64 -1.39 115.22 119.57 2kgk n HIS 118 Ca -0.18 -2.70 0.04 0.00 0.46 0.00 0.00 57.72 55.34 2kgk n HIS 118 Cb 0.53 -1.77 -0.04 0.00 -0.12 0.00 0.00 29.99 28.59 2kgk n HIS 118 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kgk s HIS 119 N -1.23 -0.05 -0.07 1.57 4.02 -1.26 -4.69 115.29 113.58 2kgk s HIS 119 Ca 0.55 0.09 -0.30 0.00 1.02 0.00 0.00 55.06 56.42 2kgk s HIS 119 Cb 0.21 0.03 0.11 0.00 -1.02 0.00 0.00 32.58 31.91 2kgk s HIS 119 CO -0.11 -0.03 0.93 0.00 1.02 0.00 0.00 174.74 176.55 2kgk s ALA 120 N 2.18 -1.87 0.03 -1.40 0.00 -1.26 -4.66 121.76 114.78 2kgk s ALA 120 Ca -0.01 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 2kgk s ALA 120 Cb -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2kgk s ALA 120 CO -0.15 -0.52 0.24 -0.06 0.00 0.00 0.00 175.76 175.27 2kgk s PHE 121 N -2.22 -0.03 -0.01 0.00 0.08 -1.26 -4.78 117.98 109.76 2kgk s PHE 121 Ca 0.02 -0.11 -0.03 0.00 0.12 0.00 0.00 56.93 56.92 2kgk s PHE 121 Cb -0.01 0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.45 2kgk s PHE 121 CO -0.04 -0.44 0.08 -0.85 -0.10 0.00 0.00 175.22 173.88 2kgk n GLU 122 N 0.79 0.00 0.00 0.44 0.00 -1.26 -4.28 120.64 116.34 2kgk n GLU 122 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.97 2kgk n GLU 122 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 31.44 31.92 2kgk n GLU 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kgk n GLY 123 N 0.14 3.97 0.00 -1.84 0.00 -0.73 -4.18 105.19 102.54 2kgk n GLY 123 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2kgk n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kgk n ASP 124 N 0.00 2.01 -3.82 1.61 9.92 -0.58 -4.85 116.55 120.84 2kgk n ASP 124 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 2kgk n ASP 124 Cb 0.00 0.36 -0.16 0.00 -0.64 0.00 0.00 41.12 40.68 2kgk n ASP 124 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kgk s THR 125 N -0.93 0.98 -0.06 -3.53 2.01 -1.06 -4.97 115.64 108.09 2kgk s THR 125 Ca 0.00 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2kgk s THR 125 Cb 0.00 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 2kgk s THR 125 CO 0.00 -0.19 -0.20 0.72 -0.69 0.00 0.00 174.62 174.26 2kgk s PHE 126 N 1.64 2.04 -0.09 4.92 -0.12 -1.26 -2.62 117.98 122.50 2kgk s PHE 126 Ca -0.02 -0.67 -0.30 0.00 -0.05 0.00 0.00 56.93 55.89 2kgk s PHE 126 Cb -0.18 -1.37 0.10 0.00 -0.63 0.00 0.00 43.02 40.94 2kgk s PHE 126 CO -0.08 -0.24 0.87 -0.06 -0.05 0.00 0.00 175.22 175.66 2kgk s PHE 127 N 0.12 -0.46 0.59 3.49 0.08 -0.85 -4.83 117.98 116.14 2kgk s PHE 127 Ca -0.08 0.70 -0.10 0.00 0.12 0.00 0.00 56.93 57.57 2kgk s PHE 127 Cb -0.14 0.46 0.15 0.00 -0.57 0.00 0.00 43.02 42.91 2kgk s PHE 127 CO 0.04 -0.47 0.54 -0.35 -0.10 0.00 0.00 175.22 174.88 2kgk n PRO 128 N 0.59 -2.00 -4.35 0.24 -0.04 -1.26 -4.02 135.00 124.16 2kgk n PRO 128 Ca -0.13 -0.86 -0.18 0.00 -0.04 0.00 0.00 63.50 62.30 2kgk n PRO 128 Cb 0.59 -0.79 -0.10 0.00 -0.04 0.00 0.00 33.50 33.15 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 -4.22 1.41 -1.06 0.54 -1.05 -1.26 -4.88 118.70 108.19 2kgk s GLU 129 Ca 0.35 -1.74 -0.26 0.00 -0.15 0.00 0.00 54.97 53.17 2kgk s GLU 129 Cb -0.03 -0.55 0.04 0.00 -0.44 0.00 0.00 34.13 33.14 2kgk s GLU 129 CO 0.26 -0.17 0.62 -1.33 0.95 0.00 0.00 175.26 175.59 2kgk n MET 130 N -0.48 -0.53 -3.96 -4.83 2.81 -1.26 -4.92 117.12 103.96 2kgk n MET 130 Ca -0.03 0.18 -0.31 0.00 -1.81 0.00 0.00 57.70 55.73 2kgk n MET 130 Cb 0.65 -2.18 -0.15 0.00 -0.71 0.00 0.00 33.22 30.83 2kgk n MET 130 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2kgk s ASP 131 N -3.46 4.55 -1.09 7.83 2.15 -1.26 -4.76 116.67 120.64 2kgk s ASP 131 Ca 0.36 -1.96 -0.03 0.00 0.43 0.00 0.00 52.55 51.35 2kgk s ASP 131 Cb -0.20 -1.44 0.02 0.00 -0.30 0.00 0.00 42.92 41.00 2kgk s ASP 131 CO 0.90 -0.37 0.17 0.23 -0.17 0.00 0.00 175.17 175.93 2kgk n MET 132 N 4.41 -2.72 0.02 4.34 2.81 -1.26 -4.84 117.12 119.87 2kgk n MET 132 Ca 0.01 0.54 -0.12 0.00 -1.81 0.00 0.00 57.70 56.33 2kgk n MET 132 Cb 0.42 -5.18 -0.07 0.00 -0.71 0.00 0.00 33.22 27.68 2kgk n MET 132 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kgk h THR 133 N -0.34 1.07 0.00 2.03 1.03 -1.97 -3.46 112.91 111.27 2kgk h THR 133 Ca -0.33 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 2kgk h THR 133 Cb 1.23 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 2kgk h THR 133 CO 0.39 0.06 0.00 -3.20 -0.01 0.00 0.00 175.52 172.76 2kgk n ASN 134 N -5.03 0.00 -4.77 0.00 5.15 -1.26 -4.99 115.26 104.36 2kgk n ASN 134 Ca -0.07 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.60 2kgk n ASN 134 Cb 0.06 -0.15 0.08 0.00 -0.53 0.00 0.00 39.78 39.24 2kgk n ASN 134 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2kgk s TRP 135 N -3.00 2.57 -0.07 1.20 0.52 -1.26 -5.04 118.94 113.85 2kgk s TRP 135 Ca 0.00 1.56 0.02 0.00 0.02 0.00 0.00 56.10 57.70 2kgk s TRP 135 Cb 0.00 -3.10 -0.02 0.00 -1.15 0.00 0.00 33.47 29.19 2kgk s TRP 135 CO 0.00 -1.78 -0.11 0.21 0.02 0.00 0.00 176.95 175.28 2kgk s LYS 136 N -4.57 2.79 -0.06 4.98 2.47 -1.25 -5.02 119.74 119.07 2kgk s LYS 136 Ca 0.64 -0.64 -0.14 0.00 -1.56 0.00 0.00 55.97 54.26 2kgk s LYS 136 Cb -0.19 -2.51 -0.05 0.00 -1.46 0.00 0.00 37.83 33.62 2kgk s LYS 136 CO 0.50 0.54 0.37 -1.83 0.16 0.00 0.00 175.35 175.09 2kgk s GLU 137 N -0.50 4.01 -0.02 4.03 -1.05 -1.26 -2.05 118.70 121.85 2kgk s GLU 137 Ca 0.07 0.30 0.11 0.00 -0.15 0.00 0.00 54.97 55.30 2kgk s GLU 137 Cb -0.12 -3.29 -0.17 0.00 -0.44 0.00 0.00 34.13 30.11 2kgk s GLU 137 CO 0.02 0.52 0.22 1.33 0.95 0.00 0.00 175.26 178.31 2kgk n VAL 138 N 2.49 0.07 -3.53 1.83 0.24 -0.76 -4.99 118.33 113.68 2kgk n VAL 138 Ca -0.13 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 61.79 2kgk n VAL 138 Cb 0.52 0.15 -0.04 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.72 -0.42 -0.02 6.34 2.19 -1.25 -5.06 117.98 117.05 2kgk s PHE 139 Ca -0.04 0.54 0.01 0.00 0.33 0.00 0.00 56.93 57.76 2kgk s PHE 139 Cb 0.07 0.48 0.01 0.00 -1.31 0.00 0.00 43.02 42.27 2kgk s PHE 139 CO 0.46 -0.49 -0.01 0.08 1.83 0.00 0.00 175.22 177.09 2kgk s VAL 140 N -2.03 0.18 -0.12 3.12 1.01 -1.26 -0.93 120.40 120.37 2kgk s VAL 140 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2kgk s VAL 140 Cb -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.17 2kgk s VAL 140 CO -0.02 0.10 -0.12 -0.70 0.00 0.00 0.00 175.10 174.36 2kgk s GLU 141 N 0.53 2.00 0.51 2.72 2.12 0.02 -5.01 118.70 121.59 2kgk s GLU 141 Ca -0.05 -0.46 -0.04 0.00 0.36 0.00 0.00 54.97 54.78 2kgk s GLU 141 Cb -0.08 -1.82 -0.01 0.00 0.26 0.00 0.00 34.13 32.47 2kgk s GLU 141 CO -0.01 -0.17 0.80 0.15 -0.54 0.00 0.00 175.26 175.49 2kgk s LYS 142 N 1.32 3.24 0.00 4.30 3.01 -1.26 0.13 119.74 130.48 2kgk s LYS 142 Ca -0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 55.97 54.95 2kgk s LYS 142 Cb -0.14 -2.38 0.00 0.00 -1.01 0.00 0.00 37.83 34.30 2kgk s LYS 142 CO -0.06 -0.38 0.00 0.41 0.51 0.00 0.00 175.35 175.83 2kgk n GLY 143 N -2.33 4.55 3.37 -3.33 0.00 -0.40 -4.79 105.19 102.26 2kgk n GLY 143 Ca 0.02 -2.16 -0.14 0.00 0.00 0.00 0.00 46.02 43.74 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 0.12 0.55 0.99 2.96 -1.26 -4.74 118.68 117.29 2kgk s LEU 144 Ca 0.00 0.15 -0.17 0.00 -0.22 0.00 0.00 54.13 53.89 2kgk s LEU 144 Cb 0.00 1.96 -0.06 0.00 0.50 0.00 0.00 46.19 48.59 2kgk s LEU 144 CO 0.00 -0.67 1.04 0.28 -1.32 0.00 0.00 176.35 175.68 2kgk s THR 145 N -2.27 3.97 0.15 3.68 -1.32 -1.15 -4.80 115.64 113.90 2kgk s THR 145 Ca -0.06 1.00 -0.17 0.00 -1.21 0.00 0.00 61.69 61.25 2kgk s THR 145 Cb -0.01 -3.47 0.03 0.00 -1.51 0.00 0.00 72.50 67.54 2kgk s THR 145 CO -0.01 -0.49 0.45 -1.81 -2.21 0.00 0.00 174.62 170.55 2kgk s ASP 146 N -2.67 -0.25 0.24 8.08 1.11 0.11 -4.89 116.67 118.40 2kgk s ASP 146 Ca 0.63 -0.37 -0.06 0.00 0.18 0.00 0.00 52.55 52.93 2kgk s ASP 146 Cb -0.15 0.51 0.44 0.00 1.07 0.00 0.00 42.92 44.80 2kgk s ASP 146 CO 0.32 -0.92 1.66 -0.08 1.18 0.00 0.00 175.17 177.33 2kgk h GLU 147 N 2.30 0.17 -0.47 8.23 4.57 -1.98 0.95 114.58 128.35 2kgk h GLU 147 Ca -0.32 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 57.75 2kgk h GLU 147 Cb 1.26 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 2kgk h GLU 147 CO 0.44 0.11 -0.11 0.87 -1.18 0.00 0.00 179.01 179.13 2kgk h LYS 148 N 0.17 0.86 -2.51 1.92 6.56 -2.01 -3.36 116.57 118.19 2kgk h LYS 148 Ca 0.41 -0.30 -0.60 0.00 -1.06 0.00 0.00 60.65 59.10 2kgk h LYS 148 Cb 0.71 -0.06 -0.39 0.00 -0.57 0.00 0.00 32.23 31.92 2kgk h LYS 148 CO -0.58 0.93 -0.89 0.27 -2.06 0.00 0.00 179.45 177.12 2kgk n ASN 149 N -4.15 0.38 -3.29 0.86 0.23 0.11 -4.95 115.26 104.44 2kgk n ASN 149 Ca 0.01 -2.59 -0.32 0.00 -0.53 0.00 0.00 54.58 51.16 2kgk n ASN 149 Cb 0.38 -0.60 -0.02 0.00 -2.08 0.00 0.00 39.78 37.45 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 2.56 2.85 -4.02 -0.53 -0.04 0.29 0.10 135.00 136.21 2kgk n PRO 150 Ca 0.27 -1.88 -0.09 0.00 -0.04 0.00 0.00 63.50 61.77 2kgk n PRO 150 Cb 0.45 -2.68 -0.08 0.00 -0.04 0.00 0.00 33.50 31.15 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 2.90 0.51 -0.22 0.54 2.02 -1.26 -4.86 117.35 116.97 2kgk s TYR 151 Ca 0.55 -0.92 -0.06 0.00 -0.37 0.00 0.00 57.07 56.26 2kgk s TYR 151 Cb 0.14 -0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.43 2kgk s TYR 151 CO -0.04 -0.56 0.04 0.99 -1.57 0.00 0.00 175.55 174.41 2kgk s THR 152 N -3.96 4.22 0.07 -0.71 2.01 -1.26 -2.94 115.64 113.06 2kgk s THR 152 Ca 0.15 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 2kgk s THR 152 Cb 0.06 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2kgk s THR 152 CO -0.04 0.39 0.09 -0.72 -0.69 0.00 0.00 174.62 173.65 2kgk s TYR 153 N 1.19 0.31 0.09 4.92 -0.85 -1.26 -1.63 117.35 120.12 2kgk s TYR 153 Ca 0.04 -0.77 0.05 0.00 -0.52 0.00 0.00 57.07 55.87 2kgk s TYR 153 Cb -0.14 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 2kgk s TYR 153 CO 0.02 -0.45 -0.12 0.71 -1.52 0.00 0.00 175.55 174.19 2kgk s TYR 154 N -3.70 1.18 -0.04 -3.49 2.02 0.04 -1.27 117.35 112.08 2kgk s TYR 154 Ca 0.04 -0.55 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 2kgk s TYR 154 Cb 0.05 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 2kgk s TYR 154 CO -0.10 0.05 -0.14 -0.47 -1.57 0.00 0.00 175.55 173.32 2kgk s TYR 155 N -1.89 2.69 0.10 2.71 6.14 0.35 -1.22 117.35 126.23 2kgk s TYR 155 Ca 0.03 -0.16 0.07 0.00 0.64 0.00 0.00 57.07 57.64 2kgk s TYR 155 Cb -0.06 -1.61 -0.03 0.00 0.42 0.00 0.00 41.96 40.67 2kgk s TYR 155 CO 0.02 0.20 -0.18 -1.01 0.64 0.00 0.00 175.55 175.22 2kgk s HIS 156 N -0.76 1.56 -0.14 4.97 3.76 -0.68 -0.80 115.29 123.20 2kgk s HIS 156 Ca 0.12 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.61 2kgk s HIS 156 Cb -0.11 -0.85 0.01 0.00 1.11 0.00 0.00 32.58 32.74 2kgk s HIS 156 CO 0.01 0.16 -0.21 0.08 -0.85 0.00 0.00 174.74 173.93 2kgk s VAL 157 N -1.33 2.00 0.10 -0.90 1.01 -0.11 -3.10 120.40 118.08 2kgk s VAL 157 Ca 0.04 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.15 2kgk s VAL 157 Cb -0.09 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2kgk s VAL 157 CO 0.04 0.54 -0.16 -0.31 0.00 0.00 0.00 175.10 175.20 2kgk s TYR 158 N 0.89 1.47 0.04 5.22 2.02 0.72 -1.82 117.35 125.90 2kgk s TYR 158 Ca -0.06 -0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 56.02 2kgk s TYR 158 Cb -0.15 -0.80 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 2kgk s TYR 158 CO -0.03 0.14 0.33 -1.83 -1.57 0.00 0.00 175.55 172.59 2kgk s GLU 159 N -2.12 0.84 0.27 -0.62 4.04 -0.87 -0.13 118.70 120.12 2kgk s GLU 159 Ca 0.05 -0.47 0.11 0.00 0.04 0.00 0.00 54.97 54.69 2kgk s GLU 159 Cb -0.08 0.37 -0.05 0.00 0.02 0.00 0.00 34.13 34.39 2kgk s GLU 159 CO 0.03 -0.27 -0.14 0.15 -1.84 0.00 0.00 175.26 173.19 2kgk s LYS 160 N -2.55 1.88 -0.68 -4.83 -0.14 -0.43 -3.86 119.74 109.13 2kgk s LYS 160 Ca -0.05 -1.64 0.03 0.00 -1.36 0.00 0.00 55.97 52.95 2kgk s LYS 160 Cb -0.01 -1.90 0.35 0.00 -1.68 0.00 0.00 37.83 34.59 2kgk s LYS 160 CO -0.03 0.34 1.27 0.00 -0.76 0.00 0.00 175.35 176.17 2kgk n GLN 161 N -0.67 3.75 0.00 1.68 0.00 -1.26 -4.92 117.38 115.96 2kgk n GLN 161 Ca -0.06 -4.65 0.10 0.00 0.00 0.00 0.00 57.00 52.40 2kgk n GLN 161 Cb 0.59 -2.30 0.08 0.00 0.00 0.00 0.00 30.24 28.62 2kgk n GLN 161 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10