#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgk s ILE 2 N 0.00 1.56 -0.29 2.02 1.01 -1.01 -5.03 121.20 119.46 2kgk s ILE 2 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 2kgk s ILE 2 Cb 0.00 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 41.01 2kgk s ILE 2 CO 0.00 0.46 0.07 -0.69 0.00 0.00 0.00 174.94 174.78 2kgk s VAL 3 N 1.47 3.89 -0.06 2.92 1.01 -1.26 -2.51 120.40 125.85 2kgk s VAL 3 Ca 0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2kgk s VAL 3 Cb -0.13 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2kgk s VAL 3 CO -0.10 0.08 0.11 -0.94 0.00 0.00 0.00 175.10 174.25 2kgk s SER 4 N 1.49 6.03 -0.05 3.32 1.04 -0.02 -1.89 113.70 123.63 2kgk s SER 4 Ca 0.02 0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.78 2kgk s SER 4 Cb -0.17 -1.86 0.02 0.00 0.10 0.00 0.00 66.02 64.11 2kgk s SER 4 CO 0.02 0.34 -0.07 0.12 0.98 0.00 0.00 173.24 174.63 2kgk s PHE 5 N -1.11 0.99 -0.18 5.02 2.19 -0.77 0.10 117.98 124.21 2kgk s PHE 5 Ca 0.19 -0.32 -0.02 0.00 0.33 0.00 0.00 56.93 57.12 2kgk s PHE 5 Cb -0.12 -0.80 -0.01 0.00 -1.31 0.00 0.00 43.02 40.78 2kgk s PHE 5 CO 0.09 -0.22 -0.09 1.41 1.83 0.00 0.00 175.22 178.25 2kgk s MET 6 N 0.82 3.35 -0.03 10.12 -2.45 -0.76 -1.01 119.30 129.34 2kgk s MET 6 Ca -0.13 -0.66 -0.05 0.00 -1.25 0.00 0.00 55.69 53.60 2kgk s MET 6 Cb -0.15 -2.83 0.01 0.00 1.25 0.00 0.00 34.83 33.11 2kgk s MET 6 CO 0.01 -0.05 0.12 0.54 1.05 0.00 0.00 175.02 176.70 2kgk s VAL 7 N 1.04 0.03 0.49 10.11 0.11 -0.94 -4.66 120.40 126.58 2kgk s VAL 7 Ca -0.00 -0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2kgk s VAL 7 Cb -0.15 -0.27 0.10 0.00 -1.53 0.00 0.00 36.38 34.54 2kgk s VAL 7 CO -0.01 -0.15 0.67 0.00 -3.33 0.00 0.00 175.10 172.28 2kgk n ALA 8 N 2.45 0.15 -3.26 1.54 0.00 -1.26 -2.24 120.51 117.89 2kgk n ALA 8 Ca -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 53.44 51.91 2kgk n ALA 8 Cb 0.58 0.22 -0.04 0.00 0.00 0.00 0.00 19.45 20.21 2kgk n ALA 8 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2kgk s MET 9 N -4.21 0.46 0.04 0.00 1.75 0.23 -4.59 119.30 112.97 2kgk s MET 9 Ca 0.45 0.36 -0.30 0.00 -1.25 0.00 0.00 55.69 54.95 2kgk s MET 9 Cb -0.03 -0.11 -0.04 0.00 2.84 0.00 0.00 34.83 37.49 2kgk s MET 9 CO 0.30 -0.96 1.02 -0.51 -0.65 0.00 0.00 175.02 174.21 2kgk s ASP 10 N 2.65 7.34 0.52 1.11 1.01 -1.03 -1.43 116.67 126.83 2kgk s ASP 10 Ca 0.11 1.76 0.19 0.00 0.71 0.00 0.00 52.55 55.31 2kgk s ASP 10 Cb -0.12 -2.58 1.29 0.00 1.01 0.00 0.00 42.92 42.52 2kgk s ASP 10 CO -0.27 -0.26 2.10 1.05 0.21 0.00 0.00 175.17 178.00 2kgk h GLU 11 N 6.51 0.02 -0.00 8.23 4.11 -1.75 -1.97 114.58 129.73 2kgk h GLU 11 Ca -0.42 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2kgk h GLU 11 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kgk h GLU 11 CO 0.75 0.02 -0.36 0.09 0.07 0.00 0.00 179.01 179.58 2kgk n ASN 12 N -4.49 0.95 0.00 3.06 3.02 -1.26 -4.96 115.26 111.58 2kgk n ASN 12 Ca 0.01 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 2kgk n ASN 12 Cb 0.26 0.71 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 2kgk n ASN 12 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2kgk n ARG 13 N -0.69 0.18 0.00 3.52 3.00 -0.74 -4.79 116.66 117.14 2kgk n ARG 13 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2kgk n ARG 13 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.67 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 5.15 3.14 -0.79 -2.73 118.33 123.10 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 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 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 -1.71 0.00 -2.85 1.55 -5.35 -1.18 -2.46 119.36 107.37 2kgk n ILE 15 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 2kgk n ILE 15 Cb 0.00 -0.11 -0.02 0.00 -1.74 0.00 0.00 39.64 37.78 2kgk n ILE 15 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2kgk s GLY 16 N -2.51 1.92 0.18 3.28 0.00 -1.20 -3.85 107.32 105.14 2kgk s GLY 16 Ca 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 44.72 41.90 2kgk s GLY 16 CO 0.00 2.19 1.42 0.07 0.00 0.00 0.00 173.10 176.78 2kgk h LYS 17 N 8.45 0.18 -0.03 2.90 2.10 -1.52 0.73 116.57 129.38 2kgk h LYS 17 Ca 0.23 -0.18 -0.14 0.00 -2.00 0.00 0.00 60.65 58.56 2kgk h LYS 17 Cb 0.97 0.05 -0.14 0.00 -0.90 0.00 0.00 32.23 32.21 2kgk h LYS 17 CO 1.22 0.90 -0.28 -3.47 -2.00 0.00 0.00 179.45 175.82 2kgk n ASP 18 N -3.69 -2.15 0.00 7.07 2.03 -1.26 -2.42 116.55 116.13 2kgk n ASP 18 Ca -0.03 -2.54 0.00 0.00 0.52 0.00 0.00 54.79 52.74 2kgk n ASP 18 Cb 0.77 1.29 0.00 0.00 -0.72 0.00 0.00 41.12 42.46 2kgk n ASP 18 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kgk n ASN 19 N 1.65 0.00 -3.04 1.67 5.15 -1.26 -4.86 115.26 114.58 2kgk n ASN 19 Ca 0.06 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.90 2kgk n ASN 19 Cb 0.66 -0.23 -0.02 0.00 -0.53 0.00 0.00 39.78 39.66 2kgk n ASN 19 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kgk s ASN 20 N -2.07 0.78 0.15 1.20 2.20 -1.26 -4.66 114.94 111.28 2kgk s ASN 20 Ca 0.00 -1.45 0.03 0.00 -0.94 0.00 0.00 52.86 50.50 2kgk s ASN 20 Cb 0.00 0.74 -0.04 0.00 -2.00 0.00 0.00 41.25 39.95 2kgk s ASN 20 CO 0.00 -1.45 0.24 -1.48 -2.94 0.00 0.00 177.10 171.47 2kgk s LEU 21 N -3.21 4.19 0.00 3.54 -0.00 -1.25 -1.44 118.68 120.51 2kgk s LEU 21 Ca 0.27 0.09 0.00 0.00 -0.00 0.00 0.00 54.13 54.49 2kgk s LEU 21 Cb -0.02 -2.78 0.00 0.00 -0.00 0.00 0.00 46.19 43.39 2kgk s LEU 21 CO 0.19 0.06 0.00 -0.81 -0.00 0.00 0.00 176.35 175.79 2kgk n PRO 22 N -0.44 0.95 -3.61 1.48 -0.04 -1.26 -4.98 135.00 127.10 2kgk n PRO 22 Ca -0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.28 2kgk n PRO 22 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.11 -0.45 0.06 0.54 0.52 -1.26 -5.16 118.94 113.08 2kgk s TRP 23 Ca 0.00 0.98 -0.06 0.00 0.02 0.00 0.00 56.10 57.04 2kgk s TRP 23 Cb 0.00 0.40 -0.01 0.00 -1.15 0.00 0.00 33.47 32.70 2kgk s TRP 23 CO 0.00 -0.30 0.10 -0.98 0.02 0.00 0.00 176.95 175.79 2kgk s ARG 24 N -0.35 0.68 -0.90 4.98 1.70 -1.26 -4.95 118.95 118.86 2kgk s ARG 24 Ca 0.00 -0.93 -0.13 0.00 -0.47 0.00 0.00 55.73 54.21 2kgk s ARG 24 Cb -0.03 0.26 0.02 0.00 -0.57 0.00 0.00 34.95 34.63 2kgk s ARG 24 CO -0.02 -0.18 0.58 1.28 -1.08 0.00 0.00 175.30 175.88 2kgk n LEU 25 N 0.33 -1.04 0.27 -1.89 7.99 -1.26 -4.72 117.00 116.68 2kgk n LEU 25 Ca -0.16 -1.03 0.14 0.00 -0.01 0.00 0.00 56.01 54.95 2kgk n LEU 25 Cb 0.60 -1.46 0.77 0.00 -0.11 0.00 0.00 43.42 43.22 2kgk n LEU 25 CO 0.24 0.54 1.02 1.55 -1.51 0.00 0.00 177.39 179.22 2kgk h PRO 26 N -0.98 0.00 0.13 3.23 0.13 -1.97 0.16 132.00 132.70 2kgk h PRO 26 Ca -0.62 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.28 2kgk h PRO 26 Cb 1.30 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.45 2kgk h PRO 26 CO 0.39 0.00 -0.95 0.77 -0.23 0.00 0.00 178.00 177.98 2kgk h SER 27 N 0.00 0.61 -0.78 1.44 0.02 -2.01 -3.26 113.55 109.56 2kgk h SER 27 Ca 0.00 -0.90 0.02 0.00 -0.84 0.00 0.00 61.79 60.07 2kgk h SER 27 Cb 0.38 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2kgk h SER 27 CO 0.00 1.45 0.52 -0.08 -1.14 0.00 0.00 176.83 177.58 2kgk h GLU 28 N -0.14 0.99 -0.26 3.45 4.22 -1.28 -0.76 114.58 120.80 2kgk h GLU 28 Ca -0.16 -0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.25 2kgk h GLU 28 Cb 1.72 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2kgk h GLU 28 CO 0.18 0.66 0.17 1.37 -2.18 0.00 0.00 179.01 179.21 2kgk h LEU 29 N 1.02 0.20 0.04 1.64 8.10 -1.55 -0.93 115.31 123.84 2kgk h LEU 29 Ca 0.30 -0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.19 2kgk h LEU 29 Cb -0.05 -0.05 0.01 0.00 -0.44 0.00 0.00 40.66 40.13 2kgk h LEU 29 CO -0.07 0.14 -0.38 1.56 -4.11 0.00 0.00 178.44 175.58 2kgk h GLN 30 N 0.24 0.19 -0.02 0.17 1.08 -1.21 -2.14 115.11 113.41 2kgk h GLN 30 Ca 0.11 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2kgk h GLN 30 Cb 0.13 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2kgk h GLN 30 CO -0.02 1.05 -0.09 1.88 -0.95 0.00 0.00 178.83 180.70 2kgk h TYR 31 N -0.55 -0.23 -0.36 2.96 0.05 -1.00 0.26 116.97 118.10 2kgk h TYR 31 Ca -0.06 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 2kgk h TYR 31 Cb 1.21 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 39.05 2kgk h TYR 31 CO 0.21 -0.14 0.13 -0.24 -1.05 0.00 0.00 178.16 177.06 2kgk h VAL 32 N -0.15 1.20 -0.48 -2.88 3.04 -1.31 -1.08 116.25 114.59 2kgk h VAL 32 Ca 0.04 -0.64 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 2kgk h VAL 32 Cb 0.21 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 2kgk h VAL 32 CO -0.11 0.22 0.23 0.50 -1.01 0.00 0.00 177.57 177.41 2kgk h LYS 33 N 0.43 0.66 -0.07 4.17 3.11 -1.11 0.63 116.57 124.39 2kgk h LYS 33 Ca 0.12 -0.07 -0.19 0.00 -2.81 0.00 0.00 60.65 57.69 2kgk h LYS 33 Cb 0.22 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.32 2kgk h LYS 33 CO -0.01 0.51 -0.76 -0.22 -2.81 0.00 0.00 179.45 176.16 2kgk h LYS 34 N 0.67 0.41 0.00 1.90 1.63 -0.17 1.03 116.57 122.04 2kgk h LYS 34 Ca 0.17 -0.35 -0.19 0.00 -0.85 0.00 0.00 60.65 59.43 2kgk h LYS 34 Cb 0.06 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 2kgk h LYS 34 CO -0.02 1.00 -1.06 0.00 -3.45 0.00 0.00 179.45 175.91 2kgk h THR 35 N 0.27 1.12 0.00 1.00 1.03 -0.68 -3.29 112.91 112.36 2kgk h THR 35 Ca -0.04 -2.72 0.00 0.00 -0.01 0.00 0.00 66.41 63.64 2kgk h THR 35 Cb 1.35 2.51 0.00 0.00 -1.07 0.00 0.00 68.15 70.94 2kgk h THR 35 CO 0.13 0.64 -1.27 0.35 -0.01 0.00 0.00 175.52 175.36 2kgk n THR 36 N -3.18 0.11 -0.87 0.00 -2.24 0.21 -4.96 114.28 103.36 2kgk n THR 36 Ca -0.04 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 2kgk n THR 36 Cb 0.89 0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 69.33 2kgk n THR 36 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2kgk n MET 37 N -1.98 0.00 0.00 -0.78 0.00 0.36 -0.89 117.12 113.83 2kgk n MET 37 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 2kgk n MET 37 Cb 0.45 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.65 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 5.02 1.43 3.79 -5.12 0.00 -0.51 -4.99 105.19 104.81 2kgk n GLY 38 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 2kgk n GLY 38 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kgk s HIS 39 N -1.29 3.53 0.19 1.61 -3.43 -0.07 -4.91 115.29 110.92 2kgk s HIS 39 Ca 0.00 1.72 -0.30 0.00 -0.80 0.00 0.00 55.06 55.68 2kgk s HIS 39 Cb 0.00 -2.94 -0.09 0.00 -1.43 0.00 0.00 32.58 28.12 2kgk s HIS 39 CO 0.00 -0.01 1.29 -1.25 -2.00 0.00 0.00 174.74 172.77 2kgk s PRO 40 N -2.40 4.41 -0.13 -0.38 0.04 -1.26 -4.47 135.00 130.80 2kgk s PRO 40 Ca 0.54 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2kgk s PRO 40 Cb -0.17 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.19 2kgk s PRO 40 CO 0.22 -0.22 -0.12 -1.17 0.04 0.00 0.00 177.00 175.75 2kgk s LEU 41 N -0.14 1.49 -0.21 -3.56 0.20 -0.74 -2.36 118.68 113.37 2kgk s LEU 41 Ca 0.56 -0.40 -0.07 0.00 0.69 0.00 0.00 54.13 54.91 2kgk s LEU 41 Cb -0.36 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 2kgk s LEU 41 CO 0.38 -0.07 0.05 -0.63 -0.29 0.00 0.00 176.35 175.79 2kgk s ILE 42 N 1.48 4.39 0.12 6.68 1.09 -0.95 0.13 121.20 134.15 2kgk s ILE 42 Ca 0.03 -0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 2kgk s ILE 42 Cb -0.13 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.22 2kgk s ILE 42 CO -0.08 0.41 -0.00 -0.04 -0.10 0.00 0.00 174.94 175.13 2kgk s MET 43 N 0.94 0.91 0.25 2.79 -1.94 0.52 0.45 119.30 123.23 2kgk s MET 43 Ca 0.03 -1.41 -0.23 0.00 -1.71 0.00 0.00 55.69 52.37 2kgk s MET 43 Cb -0.14 -0.02 -0.09 0.00 2.01 0.00 0.00 34.83 36.59 2kgk s MET 43 CO 0.02 -0.14 0.82 0.20 -0.01 0.00 0.00 175.02 175.91 2kgk s GLY 44 N -3.07 2.76 0.46 -0.03 0.00 -0.49 -0.98 107.32 105.97 2kgk s GLY 44 Ca 0.19 0.34 0.13 0.00 0.00 0.00 0.00 44.72 45.37 2kgk s GLY 44 CO -0.01 0.76 2.06 0.07 0.00 0.00 0.00 173.10 175.98 2kgk h ARG 45 N 3.54 0.14 -0.10 2.90 0.11 -1.89 0.16 114.38 119.23 2kgk h ARG 45 Ca -0.47 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 2kgk h ARG 45 Cb 1.20 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 2kgk h ARG 45 CO 0.65 0.17 0.02 0.87 0.10 0.00 0.00 179.97 181.79 2kgk h LYS 46 N 0.14 0.17 -0.22 0.08 1.79 -1.92 0.53 116.57 117.14 2kgk h LYS 46 Ca 0.04 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2kgk h LYS 46 Cb 0.12 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2kgk h LYS 46 CO 0.00 0.35 -0.40 -2.95 -1.08 0.00 0.00 179.45 175.37 2kgk h ASN 47 N -0.04 0.73 0.21 0.86 7.08 -1.78 -2.33 115.58 120.31 2kgk h ASN 47 Ca 0.03 -0.54 -0.07 0.00 -3.08 0.00 0.00 56.30 52.64 2kgk h ASN 47 Cb 0.26 -0.21 -0.01 0.00 -2.08 0.00 0.00 38.32 36.28 2kgk h ASN 47 CO 0.00 1.13 -0.29 0.22 -2.08 0.00 0.00 177.43 176.41 2kgk h TYR 48 N 0.36 0.15 0.15 4.14 3.20 -0.67 -0.99 116.97 123.31 2kgk h TYR 48 Ca 0.01 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2kgk h TYR 48 Cb 0.99 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2kgk h TYR 48 CO 0.09 0.42 -0.07 0.93 -1.64 0.00 0.00 178.16 177.88 2kgk h GLU 49 N 0.13 -0.19 0.22 1.82 4.39 0.17 1.33 114.58 122.44 2kgk h GLU 49 Ca 0.02 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2kgk h GLU 49 Cb 0.58 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2kgk h GLU 49 CO 0.04 0.20 -0.11 0.00 -1.16 0.00 0.00 179.01 177.98 2kgk h ALA 50 N 0.11 -0.30 0.25 3.43 0.00 -1.35 -3.27 119.26 118.13 2kgk h ALA 50 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kgk h ALA 50 Cb 0.48 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kgk h ALA 50 CO 0.03 -0.63 -0.12 0.82 0.00 0.00 0.00 179.25 179.36 2kgk h ILE 51 N -0.38 0.71 0.00 0.00 2.04 -1.26 -3.48 117.51 115.14 2kgk h ILE 51 Ca -0.03 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2kgk h ILE 51 Cb 0.29 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2kgk h ILE 51 CO 0.05 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.97 2kgk n GLY 52 N 0.21 1.89 1.60 5.37 0.00 0.46 -4.99 105.19 109.73 2kgk n GLY 52 Ca -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2kgk n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgk n ARG 53 N 0.00 -3.82 0.00 1.61 1.74 -1.26 -4.86 116.66 110.06 2kgk n ARG 53 Ca 0.00 2.84 0.00 0.00 -0.77 0.00 0.00 57.85 59.92 2kgk n ARG 53 Cb 0.00 -3.31 0.00 0.00 -1.02 0.00 0.00 32.46 28.13 2kgk n ARG 53 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2kgk n PRO 54 N -0.70 0.00 -2.89 5.56 -0.04 -1.26 -4.90 135.00 130.76 2kgk n PRO 54 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2kgk n PRO 54 Cb 0.00 -0.39 0.04 0.00 -0.04 0.00 0.00 33.50 33.11 2kgk n PRO 54 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kgk n LEU 55 N -0.25 -1.31 -4.64 1.53 4.32 -1.26 -4.85 117.00 110.53 2kgk n LEU 55 Ca 0.00 -4.12 -0.43 0.00 -0.02 0.00 0.00 56.01 51.45 2kgk n LEU 55 Cb 0.00 0.85 -0.03 0.00 -1.62 0.00 0.00 43.42 42.62 2kgk n LEU 55 CO 0.00 2.14 1.42 -2.16 -1.22 0.00 0.00 177.39 177.56 2kgk s PRO 56 N -0.58 3.91 0.00 3.23 0.04 -1.26 -1.46 135.00 138.88 2kgk s PRO 56 Ca 0.29 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2kgk s PRO 56 Cb 0.30 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2kgk s PRO 56 CO -0.08 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2kgk n GLY 57 N 4.53 0.75 2.26 0.56 0.00 -1.26 -4.04 105.19 107.99 2kgk n GLY 57 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.18 -1.47 -2.94 1.61 3.00 -0.54 -1.42 116.66 112.72 2kgk n ARG 58 Ca 0.00 0.76 -0.13 0.00 -0.00 0.00 0.00 57.85 58.48 2kgk n ARG 58 Cb 0.00 -4.95 0.03 0.00 0.00 0.00 0.00 32.46 27.54 2kgk n ARG 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kgk n ARG 59 N -1.38 0.98 -2.84 -0.14 5.12 -1.26 -4.83 116.66 112.31 2kgk n ARG 59 Ca -0.11 -2.57 -0.43 0.00 -1.93 0.00 0.00 57.85 52.81 2kgk n ARG 59 Cb 0.46 -1.34 -0.04 0.00 -1.16 0.00 0.00 32.46 30.38 2kgk n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2kgk s ASN 60 N -1.76 6.45 -0.14 0.55 4.22 -1.26 -1.79 114.94 121.21 2kgk s ASN 60 Ca 0.30 -0.02 -0.00 0.00 -2.14 0.00 0.00 52.86 51.00 2kgk s ASN 60 Cb 0.31 -2.44 -0.01 0.00 1.28 0.00 0.00 41.25 40.38 2kgk s ASN 60 CO -0.07 -1.08 -0.13 -0.63 -2.04 0.00 0.00 177.10 173.15 2kgk s ILE 61 N 3.75 3.05 -0.11 0.54 1.01 0.12 -1.68 121.20 127.88 2kgk s ILE 61 Ca 0.35 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.34 2kgk s ILE 61 Cb -0.11 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 2kgk s ILE 61 CO 0.24 0.52 -0.12 0.27 0.00 0.00 0.00 174.94 175.85 2kgk s ILE 62 N 0.44 3.13 -0.23 2.92 -4.36 -0.38 -0.35 121.20 122.37 2kgk s ILE 62 Ca -0.10 -0.65 -0.24 0.00 -0.26 0.00 0.00 60.65 59.41 2kgk s ILE 62 Cb -0.16 -2.30 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 2kgk s ILE 62 CO 0.05 0.54 0.79 -0.69 0.24 0.00 0.00 174.94 175.86 2kgk s VAL 63 N 0.10 4.88 -0.13 8.37 1.01 -0.15 -1.05 120.40 133.42 2kgk s VAL 63 Ca -0.05 1.49 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 2kgk s VAL 63 Cb -0.15 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.19 2kgk s VAL 63 CO 0.04 -0.03 0.41 0.28 0.00 0.00 0.00 175.10 175.80 2kgk s THR 64 N 2.63 0.01 -0.40 3.92 -1.32 -0.11 -3.75 115.64 116.62 2kgk s THR 64 Ca 0.34 -0.06 -0.12 0.00 -1.21 0.00 0.00 61.69 60.64 2kgk s THR 64 Cb -0.15 -0.59 0.04 0.00 -1.51 0.00 0.00 72.50 70.28 2kgk s THR 64 CO 0.08 -0.03 0.24 -0.13 -2.21 0.00 0.00 174.62 172.57 2kgk s ARG 65 N -0.02 2.82 0.00 7.08 1.81 -1.26 -4.45 118.95 124.92 2kgk s ARG 65 Ca -0.02 -1.16 0.00 0.00 -1.72 0.00 0.00 55.73 52.83 2kgk s ARG 65 Cb -0.03 -3.81 0.00 0.00 -0.45 0.00 0.00 34.95 30.66 2kgk s ARG 65 CO 0.01 -0.78 0.00 0.27 -0.68 0.00 0.00 175.30 174.13 2kgk n ASN 66 N 5.03 0.00 -4.73 0.23 0.23 -1.26 -5.12 115.26 109.64 2kgk n ASN 66 Ca -0.11 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.52 2kgk n ASN 66 Cb 0.45 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.13 2kgk n ASN 66 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2kgk s GLU 67 N 0.00 4.18 0.00 -3.83 4.04 -1.26 -1.95 118.70 119.89 2kgk s GLU 67 Ca 0.00 2.45 0.00 0.00 0.04 0.00 0.00 54.97 57.46 2kgk s GLU 67 Cb 0.00 -3.10 0.00 0.00 0.02 0.00 0.00 34.13 31.05 2kgk s GLU 67 CO 0.00 -0.62 0.00 0.41 -1.84 0.00 0.00 175.26 173.21 2kgk n GLY 68 N 3.21 0.74 3.66 -3.83 0.00 -1.26 -5.06 105.19 102.66 2kgk n GLY 68 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2kgk n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kgk s TYR 69 N -2.33 3.01 -0.14 1.61 5.04 -0.82 -5.12 117.35 118.61 2kgk s TYR 69 Ca 0.00 0.03 -0.09 0.00 -2.44 0.00 0.00 57.07 54.57 2kgk s TYR 69 Cb 0.00 -1.63 0.05 0.00 0.35 0.00 0.00 41.96 40.72 2kgk s TYR 69 CO 0.00 0.44 0.34 -1.01 -1.34 0.00 0.00 175.55 173.98 2kgk s HIS 70 N -1.10 -0.44 -0.35 4.97 3.76 -1.26 -5.00 115.29 115.87 2kgk s HIS 70 Ca 0.20 1.00 -0.10 0.00 -0.15 0.00 0.00 55.06 56.01 2kgk s HIS 70 Cb -0.11 0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.75 2kgk s HIS 70 CO 0.11 -0.25 0.17 0.08 -0.85 0.00 0.00 174.74 174.00 2kgk s VAL 71 N 0.92 4.46 0.08 -0.90 1.01 -1.26 -5.06 120.40 119.65 2kgk s VAL 71 Ca -0.06 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.85 2kgk s VAL 71 Cb -0.07 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 2kgk s VAL 71 CO -0.07 -0.13 1.45 -1.61 0.00 0.00 0.00 175.10 174.74 2kgk s GLU 72 N 1.55 4.28 0.00 2.72 2.02 -1.26 -2.35 118.70 125.66 2kgk s GLU 72 Ca 0.02 2.10 0.00 0.00 0.02 0.00 0.00 54.97 57.12 2kgk s GLU 72 Cb -0.18 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.66 2kgk s GLU 72 CO 0.06 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.21 2kgk n GLY 73 N 3.64 0.97 3.21 -1.39 0.00 -1.26 -5.06 105.19 105.30 2kgk n GLY 73 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.88 3.95 -0.10 0.00 0.41 -0.68 -4.53 118.70 113.88 2kgk s GLU 75 Ca 0.06 0.45 -0.14 0.00 -0.41 0.00 0.00 54.97 54.94 2kgk s GLU 75 Cb 0.05 -2.92 -0.05 0.00 -1.78 0.00 0.00 34.13 29.43 2kgk s GLU 75 CO -0.10 0.47 0.33 0.08 -0.49 0.00 0.00 175.26 175.56 2kgk s VAL 76 N -1.48 5.23 0.12 2.63 1.01 -1.26 -1.25 120.40 125.40 2kgk s VAL 76 Ca 0.38 0.65 0.05 0.00 0.00 0.00 0.00 61.98 63.07 2kgk s VAL 76 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2kgk s VAL 76 CO 0.19 0.47 -0.13 0.00 0.00 0.00 0.00 175.10 175.63 2kgk s ALA 77 N -0.18 1.43 0.78 5.51 0.00 -0.22 -4.91 121.76 124.18 2kgk s ALA 77 Ca 0.20 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 2kgk s ALA 77 Cb -0.14 -0.03 0.14 0.00 0.00 0.00 0.00 23.12 23.08 2kgk s ALA 77 CO 0.08 0.04 0.89 1.58 0.00 0.00 0.00 175.76 178.34 2kgk n HIS 78 N 0.38 -3.35 -0.12 0.00 -0.00 -1.26 -0.94 115.22 109.93 2kgk n HIS 78 Ca -0.14 -1.25 -0.10 0.00 0.46 0.00 0.00 57.72 56.68 2kgk n HIS 78 Cb 0.58 -0.66 0.10 0.00 -0.12 0.00 0.00 29.99 29.88 2kgk n HIS 78 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kgk n SER 79 N -3.18 -2.53 0.31 0.26 2.88 -1.26 -4.46 113.62 105.64 2kgk n SER 79 Ca 0.13 -0.29 0.19 0.00 -1.33 0.00 0.00 58.87 57.58 2kgk n SER 79 Cb 0.47 -0.36 1.02 0.00 -0.75 0.00 0.00 64.21 64.59 2kgk n SER 79 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2kgk h VAL 80 N -2.45 0.10 -0.50 2.46 3.04 -1.98 -1.36 116.25 115.57 2kgk h VAL 80 Ca -0.13 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.60 2kgk h VAL 80 Cb 0.44 0.87 -0.04 0.00 -2.01 0.00 0.00 31.29 30.54 2kgk h VAL 80 CO 0.08 0.00 0.26 -0.33 -1.01 0.00 0.00 177.57 176.57 2kgk h GLU 81 N 0.00 0.49 -0.01 4.17 5.08 -2.00 0.63 114.58 122.95 2kgk h GLU 81 Ca 0.01 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2kgk h GLU 81 Cb 0.29 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kgk h GLU 81 CO -0.00 0.33 -0.35 1.49 -1.00 0.00 0.00 179.01 179.47 2kgk h GLU 82 N 0.51 0.25 -0.47 2.33 4.57 -1.51 -3.24 114.58 117.02 2kgk h GLU 82 Ca 0.22 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2kgk h GLU 82 Cb 0.11 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2kgk h GLU 82 CO -0.15 0.97 0.31 0.28 -1.18 0.00 0.00 179.01 179.25 2kgk h VAL 83 N -0.36 1.05 -0.03 0.32 2.07 -1.29 -0.04 116.25 117.97 2kgk h VAL 83 Ca -0.04 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2kgk h VAL 83 Cb 1.09 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2kgk h VAL 83 CO 0.07 0.10 -0.32 0.15 0.02 0.00 0.00 177.57 177.59 2kgk h PHE 84 N 0.53 -0.87 -0.13 1.57 3.57 0.25 -1.29 116.94 120.56 2kgk h PHE 84 Ca 0.19 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.52 2kgk h PHE 84 Cb 0.10 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2kgk h PHE 84 CO -0.00 -0.40 -0.73 1.05 -2.23 0.00 0.00 178.31 176.00 2kgk h GLU 85 N -0.45 0.63 -0.36 1.11 4.11 -1.55 -3.02 114.58 115.05 2kgk h GLU 85 Ca 0.07 -0.50 0.10 0.00 0.07 0.00 0.00 59.36 59.11 2kgk h GLU 85 Cb 0.55 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2kgk h GLU 85 CO -0.29 1.12 0.42 1.25 0.07 0.00 0.00 179.01 181.58 2kgk h LEU 86 N 0.44 0.00 -0.02 3.06 5.85 -0.55 -0.83 115.31 123.25 2kgk h LEU 86 Ca -0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2kgk h LEU 86 Cb 1.33 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 2kgk h LEU 86 CO 0.14 0.00 0.01 0.00 -0.34 0.00 0.00 178.44 178.25 2kgk n LYS 88 N -5.05 0.08 0.12 0.00 2.85 -0.32 -1.59 118.16 114.24 2kgk n LYS 88 Ca -0.07 0.25 -0.02 0.00 -1.05 0.00 0.00 58.31 57.42 2kgk n LYS 88 Cb 0.05 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.01 2kgk n LYS 88 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2kgk h ASN 89 N 0.00 0.00 -3.84 -5.58 -0.73 -1.17 -3.45 115.58 100.81 2kgk h ASN 89 Ca 0.00 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 57.87 2kgk h ASN 89 Cb 0.07 0.00 -0.29 0.00 0.27 0.00 0.00 38.32 38.37 2kgk h ASN 89 CO 0.00 0.71 -0.75 -1.61 -0.37 0.00 0.00 177.43 175.41 2kgk s GLU 90 N -3.21 0.32 0.00 6.67 0.41 -0.62 -5.09 118.70 117.18 2kgk s GLU 90 Ca 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.44 2kgk s GLU 90 Cb 0.11 -0.32 0.00 0.00 -1.78 0.00 0.00 34.13 32.14 2kgk s GLU 90 CO 0.77 0.07 0.52 -0.85 -0.49 0.00 0.00 175.26 175.28 2kgk n GLU 91 N 3.06 0.00 -3.42 1.61 0.28 -1.26 -4.39 120.64 116.52 2kgk n GLU 91 Ca -0.14 0.30 -0.40 0.00 -0.16 0.00 0.00 57.16 56.77 2kgk n GLU 91 Cb 0.58 -1.02 -0.09 0.00 1.43 0.00 0.00 31.44 32.34 2kgk n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kgk s GLU 92 N -1.07 3.74 0.06 3.44 2.02 -1.26 -2.41 118.70 123.22 2kgk s GLU 92 Ca 0.00 -0.27 0.09 0.00 0.02 0.00 0.00 54.97 54.81 2kgk s GLU 92 Cb 0.00 -3.74 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 2kgk s GLU 92 CO 0.00 -0.41 -0.25 0.96 0.02 0.00 0.00 175.26 175.58 2kgk s ILE 93 N 2.00 2.30 -0.15 -1.63 -0.00 -1.04 -4.72 121.20 117.95 2kgk s ILE 93 Ca 0.12 -1.41 -0.06 0.00 -0.00 0.00 0.00 60.65 59.30 2kgk s ILE 93 Cb -0.16 -1.93 -0.04 0.00 -0.00 0.00 0.00 42.46 40.33 2kgk s ILE 93 CO 0.11 0.31 0.04 -0.36 -0.00 0.00 0.00 174.94 175.04 2kgk s PHE 94 N -0.88 3.22 -0.03 1.37 0.40 -0.99 -0.84 117.98 120.23 2kgk s PHE 94 Ca 0.13 0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.58 2kgk s PHE 94 Cb -0.10 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 2kgk s PHE 94 CO 0.03 0.22 -0.23 0.42 0.70 0.00 0.00 175.22 176.37 2kgk s ILE 95 N 0.02 1.83 0.00 0.64 -1.09 0.12 -2.24 121.20 120.48 2kgk s ILE 95 Ca 0.04 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2kgk s ILE 95 Cb -0.12 -1.53 0.00 0.00 -1.58 0.00 0.00 42.46 39.23 2kgk s ILE 95 CO 0.01 0.52 0.00 0.33 -1.23 0.00 0.00 174.94 174.57 2kgk n PHE 96 N 2.64 0.00 0.00 3.97 -0.00 0.17 -1.83 117.46 122.41 2kgk n PHE 96 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 2kgk n PHE 96 Cb 0.52 0.08 0.00 0.00 -0.00 0.00 0.00 39.48 40.08 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 2.59 0.59 0.00 7.13 0.00 -0.61 -4.70 105.19 110.19 2kgk n GLY 97 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.72 0.21 -0.02 0.00 -1.26 -1.40 105.19 102.00 2kgk n GLY 98 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.58 -0.68 4.61 0.00 -2.00 -1.74 119.26 118.88 2kgk h ALA 99 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2kgk h ALA 99 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2kgk h ALA 99 CO 0.00 -0.55 0.30 -0.56 0.00 0.00 0.00 179.25 178.44 2kgk h GLN 100 N -0.87 0.98 0.26 0.00 3.07 -1.98 -2.62 115.11 113.95 2kgk h GLN 100 Ca -0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 58.53 2kgk h GLN 100 Cb 0.36 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.75 2kgk h GLN 100 CO 0.08 0.78 -0.13 0.82 0.09 0.00 0.00 178.83 180.47 2kgk h ILE 101 N 0.97 0.76 -0.92 1.86 1.08 -1.92 -2.61 117.51 116.73 2kgk h ILE 101 Ca 0.23 -0.15 0.17 0.00 -0.39 0.00 0.00 64.86 64.72 2kgk h ILE 101 Cb 0.14 0.85 -0.10 0.00 -3.07 0.00 0.00 36.82 34.64 2kgk h ILE 101 CO -0.03 0.03 0.51 0.22 -0.69 0.00 0.00 178.15 178.20 2kgk h TYR 102 N -0.43 0.89 0.14 1.37 3.20 -1.15 0.17 116.97 121.17 2kgk h TYR 102 Ca -0.04 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.89 2kgk h TYR 102 Cb 0.33 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 2kgk h TYR 102 CO -0.04 0.18 -0.30 0.22 -1.64 0.00 0.00 178.16 176.59 2kgk h ASP 103 N 0.66 -0.85 1.12 -2.11 1.82 -1.11 -0.94 116.42 115.02 2kgk h ASP 103 Ca 0.52 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 57.26 2kgk h ASP 103 Cb 0.80 0.32 -0.00 0.00 0.68 0.00 0.00 39.33 41.13 2kgk h ASP 103 CO -0.39 -0.39 -0.01 0.17 -1.61 0.00 0.00 179.24 177.01 2kgk h LEU 104 N -0.53 0.00 -0.76 2.28 8.10 -1.03 -2.27 115.31 121.10 2kgk h LEU 104 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.02 2kgk h LEU 104 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 2kgk h LEU 104 CO -0.16 0.01 0.00 0.49 -4.11 0.00 0.00 178.44 174.67 2kgk n PHE 105 N -3.10 0.13 0.08 0.17 3.72 0.53 -4.20 117.46 114.78 2kgk n PHE 105 Ca 0.01 -0.06 -0.12 0.00 -0.05 0.00 0.00 57.45 57.23 2kgk n PHE 105 Cb 0.33 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 2kgk n PHE 105 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2kgk h LEU 106 N 1.55 -0.44 -0.09 4.37 5.85 -0.59 0.50 115.31 126.46 2kgk h LEU 106 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kgk h LEU 106 Cb 0.34 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2kgk h LEU 106 CO 0.00 -0.22 0.00 -0.81 -0.34 0.00 0.00 178.44 177.07 2kgk n PRO 107 N -5.28 0.05 0.00 5.25 -0.04 -1.26 -2.80 135.00 130.92 2kgk n PRO 107 Ca -0.06 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 2kgk n PRO 107 Cb 0.20 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 2kgk n PRO 107 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kgk n TYR 108 N -1.68 0.00 -3.82 0.54 4.02 -0.74 -4.93 117.16 110.55 2kgk n TYR 108 Ca 0.05 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.59 2kgk n TYR 108 Cb 0.27 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.51 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 -2.93 5.38 -0.23 -0.72 1.01 0.09 -4.83 120.40 118.17 2kgk s VAL 109 Ca 0.10 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2kgk s VAL 109 Cb 0.16 -3.52 -0.15 0.00 0.00 0.00 0.00 36.38 32.88 2kgk s VAL 109 CO 0.82 0.44 -0.21 -0.67 0.00 0.00 0.00 175.10 175.48 2kgk n ASP 110 N 1.35 2.20 -3.83 3.32 -0.08 -1.00 -4.86 116.55 113.64 2kgk n ASP 110 Ca -0.14 -0.09 -0.18 0.00 -1.51 0.00 0.00 54.79 52.87 2kgk n ASP 110 Cb 0.53 -0.38 -0.16 0.00 2.34 0.00 0.00 41.12 43.45 2kgk n ASP 110 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2kgk s LYS 111 N -2.45 0.41 0.13 -0.67 -2.85 -0.79 -2.07 119.74 111.45 2kgk s LYS 111 Ca -0.31 0.04 0.08 0.00 -1.00 0.00 0.00 55.97 54.78 2kgk s LYS 111 Cb 0.08 -0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 35.26 2kgk s LYS 111 CO 0.52 -0.12 -0.20 -1.17 0.10 0.00 0.00 175.35 174.48 2kgk s LEU 112 N 0.99 2.36 0.02 2.77 0.20 0.70 -1.85 118.68 123.87 2kgk s LEU 112 Ca -0.10 -0.77 0.07 0.00 0.69 0.00 0.00 54.13 54.02 2kgk s LEU 112 Cb -0.14 -0.87 -0.02 0.00 -0.43 0.00 0.00 46.19 44.73 2kgk s LEU 112 CO -0.01 0.02 -0.22 -0.31 -0.29 0.00 0.00 176.35 175.54 2kgk s TYR 113 N -1.56 1.93 -0.04 5.38 2.02 -0.18 0.54 117.35 125.45 2kgk s TYR 113 Ca 0.11 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 2kgk s TYR 113 Cb -0.08 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.31 2kgk s TYR 113 CO 0.05 0.06 -0.08 0.42 -1.57 0.00 0.00 175.55 174.43 2kgk s ILE 114 N -0.70 0.78 -0.25 2.71 1.09 -0.83 -2.21 121.20 121.78 2kgk s ILE 114 Ca 0.08 -0.30 -0.01 0.00 -1.10 0.00 0.00 60.65 59.32 2kgk s ILE 114 Cb -0.09 -0.73 0.03 0.00 -1.06 0.00 0.00 42.46 40.62 2kgk s ILE 114 CO 0.01 0.26 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.16 2kgk s THR 115 N 0.55 2.78 -0.22 2.92 2.01 -0.95 -0.41 115.64 122.32 2kgk s THR 115 Ca -0.09 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.62 2kgk s THR 115 Cb -0.12 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 2kgk s THR 115 CO 0.01 0.17 0.52 -0.54 -0.69 0.00 0.00 174.62 174.09 2kgk s LYS 116 N 1.30 4.15 -0.02 4.92 1.02 -0.37 0.75 119.74 131.48 2kgk s LYS 116 Ca -0.01 0.38 0.03 0.00 0.02 0.00 0.00 55.97 56.40 2kgk s LYS 116 Cb -0.17 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 2kgk s LYS 116 CO -0.05 -0.21 -0.10 0.42 -0.92 0.00 0.00 175.35 174.50 2kgk s ILE 117 N 1.83 3.40 -0.70 2.17 1.01 -0.52 -0.77 121.20 127.63 2kgk s ILE 117 Ca 0.23 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 2kgk s ILE 117 Cb -0.15 -2.41 0.22 0.00 0.01 0.00 0.00 42.46 40.12 2kgk s ILE 117 CO 0.09 0.49 2.36 1.57 0.00 0.00 0.00 174.94 179.45 2kgk n HIS 118 N 1.93 2.36 -3.28 3.97 -0.00 -0.81 -2.37 115.22 117.02 2kgk n HIS 118 Ca -0.17 -2.18 0.03 0.00 0.46 0.00 0.00 57.72 55.87 2kgk n HIS 118 Cb 0.52 -1.29 -0.02 0.00 -0.12 0.00 0.00 29.99 29.08 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 -2.98 -1.07 -0.28 1.57 5.65 -1.26 -4.78 115.29 112.13 2kgk s HIS 119 Ca 0.55 1.37 -0.22 0.00 0.25 0.00 0.00 55.06 57.01 2kgk s HIS 119 Cb 0.40 0.46 0.13 0.00 -1.18 0.00 0.00 32.58 32.39 2kgk s HIS 119 CO -0.32 -0.57 1.00 0.00 -0.65 0.00 0.00 174.74 174.21 2kgk s ALA 120 N 2.81 -2.07 -0.21 1.58 0.00 -1.26 -4.70 121.76 117.91 2kgk s ALA 120 Ca 0.06 2.01 -0.11 0.00 0.00 0.00 0.00 51.96 53.91 2kgk s ALA 120 Cb -0.11 -1.53 0.07 0.00 0.00 0.00 0.00 23.12 21.54 2kgk s ALA 120 CO -0.17 -0.28 0.50 0.12 0.00 0.00 0.00 175.76 175.93 2kgk s PHE 121 N 0.65 -0.77 -0.01 0.00 5.36 -1.26 -4.51 117.98 117.44 2kgk s PHE 121 Ca -0.01 1.58 -0.01 0.00 -0.96 0.00 0.00 56.93 57.52 2kgk s PHE 121 Cb -0.05 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 2kgk s PHE 121 CO -0.10 -0.41 0.02 0.39 -1.46 0.00 0.00 175.22 173.66 2kgk n GLU 122 N 4.37 -1.45 0.00 10.12 1.02 -1.26 -4.76 120.64 128.68 2kgk n GLU 122 Ca -0.21 1.15 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 2kgk n GLU 122 Cb 0.56 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 2.12 5.47 0.04 0.62 0.00 -1.02 -4.17 105.19 108.25 2kgk n GLY 123 Ca -0.03 -1.37 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 2kgk n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kgk n ASP 124 N 0.00 3.18 -3.91 1.61 -0.08 0.25 -4.83 116.55 112.77 2kgk n ASP 124 Ca 0.00 -0.02 -0.29 0.00 -1.51 0.00 0.00 54.79 52.98 2kgk n ASP 124 Cb 0.00 0.42 -0.16 0.00 2.34 0.00 0.00 41.12 43.71 2kgk n ASP 124 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2kgk s THR 125 N -2.19 1.22 -0.09 5.18 2.01 -0.99 -4.94 115.64 115.83 2kgk s THR 125 Ca -0.07 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.21 2kgk s THR 125 Cb 0.03 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 2kgk s THR 125 CO 0.28 0.10 -0.18 0.72 -0.69 0.00 0.00 174.62 174.85 2kgk s PHE 126 N 1.58 2.66 -0.33 4.92 -0.71 -1.26 -1.88 117.98 122.95 2kgk s PHE 126 Ca -0.00 -0.66 0.00 0.00 -1.04 0.00 0.00 56.93 55.23 2kgk s PHE 126 Cb -0.16 -1.73 0.19 0.00 -1.21 0.00 0.00 43.02 40.11 2kgk s PHE 126 CO -0.08 -0.19 0.77 0.12 -1.34 0.00 0.00 175.22 174.50 2kgk s PHE 127 N 0.05 -1.30 1.07 3.49 5.36 -1.11 -4.81 117.98 120.73 2kgk s PHE 127 Ca -0.07 0.54 -0.18 0.00 -0.96 0.00 0.00 56.93 56.26 2kgk s PHE 127 Cb -0.15 0.23 0.25 0.00 -0.34 0.00 0.00 43.02 43.01 2kgk s PHE 127 CO 0.05 -0.81 1.29 -1.25 -1.46 0.00 0.00 175.22 173.04 2kgk s PRO 128 N 2.48 -0.21 -0.66 10.12 0.04 -1.26 -4.47 135.00 141.04 2kgk s PRO 128 Ca 0.16 -0.44 -0.26 0.00 0.04 0.00 0.00 61.00 60.50 2kgk s PRO 128 Cb -0.05 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.63 2kgk s PRO 128 CO -0.19 -2.98 2.42 -0.85 0.04 0.00 0.00 177.00 175.44 2kgk n GLU 129 N -4.16 0.76 -0.09 4.56 0.28 -1.26 -4.65 120.64 116.08 2kgk n GLU 129 Ca 0.16 -0.46 -0.19 0.00 -0.16 0.00 0.00 57.16 56.51 2kgk n GLU 129 Cb 0.59 -3.53 -0.07 0.00 1.43 0.00 0.00 31.44 29.86 2kgk n GLU 129 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2kgk n MET 130 N 8.85 0.40 -3.21 3.44 2.81 -1.26 -5.01 117.12 123.14 2kgk n MET 130 Ca 0.43 0.17 0.03 0.00 -1.81 0.00 0.00 57.70 56.52 2kgk n MET 130 Cb 0.47 -1.18 -0.02 0.00 -0.71 0.00 0.00 33.22 31.79 2kgk n MET 130 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kgk s ASP 131 N -6.59 -1.32 -0.06 7.83 1.01 -1.26 -5.01 116.67 111.27 2kgk s ASP 131 Ca -0.26 0.94 0.08 0.00 0.71 0.00 0.00 52.55 54.02 2kgk s ASP 131 Cb 0.10 2.16 0.12 0.00 1.01 0.00 0.00 42.92 46.31 2kgk s ASP 131 CO 0.33 -0.26 1.05 1.15 0.21 0.00 0.00 175.17 177.66 2kgk n MET 132 N 5.43 0.60 0.25 8.23 0.00 -1.26 -4.76 117.12 125.60 2kgk n MET 132 Ca -0.02 -1.68 0.12 0.00 0.00 0.00 0.00 57.70 56.12 2kgk n MET 132 Cb 0.51 -0.94 0.60 0.00 0.00 0.00 0.00 33.22 33.39 2kgk n MET 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kgk h THR 133 N 3.80 0.45 -0.04 3.17 1.03 -2.04 -2.58 112.91 116.70 2kgk h THR 133 Ca 0.00 -0.81 0.01 0.00 -0.01 0.00 0.00 66.41 65.60 2kgk h THR 133 Cb 1.21 1.57 -0.00 0.00 -1.07 0.00 0.00 68.15 69.86 2kgk h THR 133 CO 0.00 0.15 0.06 -1.13 -0.01 0.00 0.00 175.52 174.59 2kgk h ASN 134 N 0.00 0.00 -1.75 0.00 -1.24 -2.02 -3.42 115.58 107.14 2kgk h ASN 134 Ca -0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 2kgk h ASN 134 Cb 0.56 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.58 2kgk h ASN 134 CO 0.02 0.00 -0.42 0.26 -1.29 0.00 0.00 177.43 176.00 2kgk s TRP 135 N -4.53 2.86 -0.18 0.67 0.52 -0.97 -4.99 118.94 112.32 2kgk s TRP 135 Ca -0.05 -0.35 -0.03 0.00 0.02 0.00 0.00 56.10 55.69 2kgk s TRP 135 Cb 0.15 -1.91 0.06 0.00 -1.15 0.00 0.00 33.47 30.61 2kgk s TRP 135 CO 0.51 0.08 0.04 0.15 0.02 0.00 0.00 176.95 177.76 2kgk s LYS 136 N -4.05 0.51 0.50 4.98 -0.14 -1.11 -5.00 119.74 115.44 2kgk s LYS 136 Ca 0.43 -0.30 -0.21 0.00 -1.36 0.00 0.00 55.97 54.53 2kgk s LYS 136 Cb -0.05 -1.95 -0.07 0.00 -1.68 0.00 0.00 37.83 34.08 2kgk s LYS 136 CO 0.27 -0.62 1.15 -1.83 -0.76 0.00 0.00 175.35 173.56 2kgk s GLU 137 N 1.93 3.55 0.00 1.68 -1.05 -1.26 -2.20 118.70 121.35 2kgk s GLU 137 Ca 0.00 1.70 0.00 0.00 -0.15 0.00 0.00 54.97 56.52 2kgk s GLU 137 Cb -0.16 -2.20 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 2kgk s GLU 137 CO -0.08 -0.71 0.00 1.33 0.95 0.00 0.00 175.26 176.75 2kgk n VAL 138 N -0.90 0.00 -3.66 1.83 0.24 -0.97 -4.93 118.33 109.94 2kgk n VAL 138 Ca 0.09 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.25 2kgk n VAL 138 Cb 0.49 -0.02 -0.08 0.00 -1.47 0.00 0.00 33.84 32.77 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 -1.38 -0.45 -0.02 6.34 5.36 -1.26 -5.06 117.98 121.51 2kgk s PHE 139 Ca 0.00 0.86 -0.00 0.00 -0.96 0.00 0.00 56.93 56.82 2kgk s PHE 139 Cb 0.00 0.23 0.03 0.00 -0.34 0.00 0.00 43.02 42.94 2kgk s PHE 139 CO 0.00 -0.44 0.03 0.08 -1.46 0.00 0.00 175.22 173.43 2kgk s VAL 140 N -0.87 -0.00 0.05 3.12 1.01 -1.26 -0.92 120.40 121.53 2kgk s VAL 140 Ca -0.09 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.18 2kgk s VAL 140 Cb -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 2kgk s VAL 140 CO 0.05 0.11 -0.25 -0.70 0.00 0.00 0.00 175.10 174.32 2kgk s GLU 141 N 1.18 1.63 0.14 2.72 2.56 0.51 -5.01 118.70 122.43 2kgk s GLU 141 Ca -0.08 -1.09 0.03 0.00 0.00 0.00 0.00 54.97 53.84 2kgk s GLU 141 Cb -0.13 -1.82 -0.04 0.00 2.00 0.00 0.00 34.13 34.14 2kgk s GLU 141 CO -0.03 0.47 0.23 -1.59 -0.56 0.00 0.00 175.26 173.78 2kgk s LYS 142 N -1.32 3.27 0.00 4.30 0.00 -1.26 0.92 119.74 125.65 2kgk s LYS 142 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 55.97 55.41 2kgk s LYS 142 Cb -0.10 -2.88 0.00 0.00 0.00 0.00 0.00 37.83 34.86 2kgk s LYS 142 CO 0.02 0.52 0.00 0.41 0.00 0.00 0.00 175.35 176.30 2kgk n GLY 143 N -0.39 2.52 3.60 0.59 0.00 -0.81 -4.82 105.19 105.89 2kgk n GLY 143 Ca -0.07 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.33 0.00 0.99 2.96 -1.26 -4.88 118.68 116.16 2kgk s LEU 144 Ca 0.00 0.44 -0.22 0.00 -0.22 0.00 0.00 54.13 54.13 2kgk s LEU 144 Cb 0.00 1.73 0.35 0.00 0.50 0.00 0.00 46.19 48.77 2kgk s LEU 144 CO 0.00 -0.25 0.79 0.35 -1.32 0.00 0.00 176.35 175.92 2kgk n THR 145 N 1.08 0.00 -3.86 3.68 -2.24 -1.26 -4.86 114.28 106.82 2kgk n THR 145 Ca -0.10 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.69 2kgk n THR 145 Cb 0.57 -0.89 0.01 0.00 -2.10 0.00 0.00 70.33 67.92 2kgk n THR 145 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kgk s ASP 146 N -2.92 -0.02 0.08 3.42 2.15 0.42 -4.94 116.67 114.86 2kgk s ASP 146 Ca 0.61 -0.31 -0.17 0.00 0.43 0.00 0.00 52.55 53.11 2kgk s ASP 146 Cb -0.11 0.25 -0.10 0.00 -0.30 0.00 0.00 42.92 42.66 2kgk s ASP 146 CO 0.51 -0.49 1.41 -0.33 -0.17 0.00 0.00 175.17 176.10 2kgk h GLU 147 N 2.00 0.54 0.00 4.34 5.08 -2.00 -2.76 114.58 121.78 2kgk h GLU 147 Ca -0.26 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2kgk h GLU 147 Cb 1.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kgk h GLU 147 CO 0.31 0.84 -0.49 0.36 -1.00 0.00 0.00 179.01 179.03 2kgk n LYS 148 N -4.43 0.23 -3.48 2.33 0.00 -1.26 -4.43 118.16 107.12 2kgk n LYS 148 Ca -0.04 0.09 -0.27 0.00 -0.00 0.00 0.00 58.31 58.09 2kgk n LYS 148 Cb 0.39 -1.67 -0.10 0.00 -0.00 0.00 0.00 35.03 33.66 2kgk n LYS 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kgk n ASN 149 N -2.02 0.98 -1.25 -5.58 3.02 -1.17 -4.97 115.26 104.28 2kgk n ASN 149 Ca 0.04 -2.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 2kgk n ASN 149 Cb 0.42 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2kgk n ASN 149 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2kgk n PRO 150 N 2.10 0.76 -4.33 3.52 -0.04 -1.05 -0.44 135.00 135.53 2kgk n PRO 150 Ca 0.26 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.53 2kgk n PRO 150 Cb 0.45 -1.12 -0.15 0.00 -0.04 0.00 0.00 33.50 32.64 2kgk n PRO 150 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2kgk s TYR 151 N 0.33 0.81 0.05 0.54 2.02 -1.26 -4.91 117.35 114.93 2kgk s TYR 151 Ca 0.00 -0.18 -0.22 0.00 -0.37 0.00 0.00 57.07 56.31 2kgk s TYR 151 Cb 0.00 -0.56 -0.06 0.00 -0.40 0.00 0.00 41.96 40.94 2kgk s TYR 151 CO 0.00 -0.06 0.65 0.99 -1.57 0.00 0.00 175.55 175.56 2kgk s THR 152 N 0.05 4.74 0.26 -0.71 2.01 -1.26 -4.36 115.64 116.37 2kgk s THR 152 Ca -0.00 1.38 -0.00 0.00 0.31 0.00 0.00 61.69 63.37 2kgk s THR 152 Cb -0.06 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2kgk s THR 152 CO -0.00 0.46 0.26 -0.72 -0.69 0.00 0.00 174.62 173.94 2kgk s TYR 153 N -0.57 1.23 -0.01 4.92 -0.85 -1.26 -1.92 117.35 118.90 2kgk s TYR 153 Ca 0.33 -1.38 -0.02 0.00 -0.52 0.00 0.00 57.07 55.48 2kgk s TYR 153 Cb -0.20 -0.45 -0.00 0.00 0.38 0.00 0.00 41.96 41.69 2kgk s TYR 153 CO 0.20 -0.82 0.03 0.71 -1.52 0.00 0.00 175.55 174.15 2kgk s TYR 154 N -3.77 0.03 -0.14 -3.49 1.51 0.05 -1.92 117.35 109.63 2kgk s TYR 154 Ca 0.36 -0.05 -0.07 0.00 -1.01 0.00 0.00 57.07 56.30 2kgk s TYR 154 Cb 0.04 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.81 2kgk s TYR 154 CO 0.17 -0.08 0.11 -0.47 -1.11 0.00 0.00 175.55 174.17 2kgk s TYR 155 N -0.43 3.46 0.06 2.71 5.04 0.26 -1.24 117.35 127.21 2kgk s TYR 155 Ca -0.05 0.39 0.06 0.00 -2.44 0.00 0.00 57.07 55.03 2kgk s TYR 155 Cb -0.03 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.28 2kgk s TYR 155 CO -0.00 0.55 -0.18 -1.01 -1.34 0.00 0.00 175.55 173.57 2kgk s HIS 156 N -0.59 1.52 -0.31 4.97 3.76 0.45 -0.37 115.29 124.73 2kgk s HIS 156 Ca 0.12 -0.38 -0.05 0.00 -0.15 0.00 0.00 55.06 54.59 2kgk s HIS 156 Cb -0.12 -0.89 0.03 0.00 1.11 0.00 0.00 32.58 32.72 2kgk s HIS 156 CO 0.02 0.09 0.07 0.08 -0.85 0.00 0.00 174.74 174.15 2kgk s VAL 157 N -0.94 3.62 -0.15 -0.90 1.01 -0.10 -1.97 120.40 120.96 2kgk s VAL 157 Ca 0.04 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 2kgk s VAL 157 Cb -0.09 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2kgk s VAL 157 CO 0.02 -0.06 0.08 -0.31 0.00 0.00 0.00 175.10 174.84 2kgk s TYR 158 N 1.40 3.36 0.05 5.22 1.51 0.19 -2.29 117.35 126.78 2kgk s TYR 158 Ca -0.01 0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.35 2kgk s TYR 158 Cb -0.19 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 2kgk s TYR 158 CO 0.01 0.38 -0.12 -1.21 -1.11 0.00 0.00 175.55 173.50 2kgk s GLU 159 N -0.20 0.80 0.48 -0.62 0.41 -0.93 -0.22 118.70 118.41 2kgk s GLU 159 Ca 0.09 -0.77 0.05 0.00 -0.41 0.00 0.00 54.97 53.93 2kgk s GLU 159 Cb -0.12 -0.76 -0.01 0.00 -1.78 0.00 0.00 34.13 31.46 2kgk s GLU 159 CO 0.01 0.18 0.24 0.15 -0.49 0.00 0.00 175.26 175.35 2kgk s LYS 160 N -1.31 2.25 -0.21 1.61 -0.14 -0.88 -2.75 119.74 118.31 2kgk s LYS 160 Ca -0.01 -2.01 -0.18 0.00 -1.36 0.00 0.00 55.97 52.41 2kgk s LYS 160 Cb -0.08 -1.96 -0.15 0.00 -1.68 0.00 0.00 37.83 33.96 2kgk s LYS 160 CO 0.01 -0.37 0.05 1.04 -0.76 0.00 0.00 175.35 175.33 2kgk n GLN 161 N -1.47 0.55 0.00 1.68 1.13 -1.26 -4.93 117.38 113.08 2kgk n GLN 161 Ca -0.05 0.52 0.06 0.00 -1.94 0.00 0.00 57.00 55.60 2kgk n GLN 161 Cb 0.65 -1.70 0.38 0.00 0.11 0.00 0.00 30.24 29.68 2kgk n GLN 161 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66