#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rgk s LYS 2 N 0.00 2.38 0.00 2.12 -2.85 -1.26 -4.96 119.74 115.17 2rgk s LYS 2 Ca 0.00 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 2rgk s LYS 2 Cb 0.00 -2.20 0.00 0.00 -2.06 0.00 0.00 37.83 33.57 2rgk s LYS 2 CO 0.00 0.54 0.00 0.91 0.10 0.00 0.00 175.35 176.90 2rgk n TRP 3 N 2.52 0.00 -1.65 1.78 7.02 -1.26 -4.95 117.44 120.91 2rgk n TRP 3 Ca -0.17 0.00 -0.48 0.00 -1.02 0.00 0.00 57.50 55.83 2rgk n TRP 3 Cb 0.52 0.02 -0.05 0.00 -2.42 0.00 0.00 31.31 29.38 2rgk n TRP 3 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2rgk n PHE 4 N -2.44 2.05 -2.04 -5.99 3.72 -1.26 -1.92 117.46 109.58 2rgk n PHE 4 Ca 0.00 0.36 -0.13 0.00 -0.05 0.00 0.00 57.45 57.63 2rgk n PHE 4 Cb 0.40 -2.49 -0.02 0.00 -0.94 0.00 0.00 39.48 36.43 2rgk n PHE 4 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2rgk n ASN 5 N 3.48 -4.24 -4.32 4.37 5.03 -1.26 -5.01 115.26 113.30 2rgk n ASN 5 Ca 0.18 0.07 -0.33 0.00 0.87 0.00 0.00 54.58 55.37 2rgk n ASN 5 Cb 0.25 -3.30 -0.15 0.00 -1.02 0.00 0.00 39.78 35.57 2rgk n ASN 5 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2rgk s THR 6 N -2.62 2.89 0.39 3.41 -4.23 -0.81 -1.35 115.64 113.32 2rgk s THR 6 Ca 0.00 -0.71 0.10 0.00 -1.18 0.00 0.00 61.69 59.91 2rgk s THR 6 Cb 0.00 -2.22 0.32 0.00 1.34 0.00 0.00 72.50 71.94 2rgk s THR 6 CO 0.00 0.52 1.94 -0.07 -0.54 0.00 0.00 174.62 176.47 2rgk h LEU 7 N 6.99 0.53 -0.19 4.79 3.38 -0.10 -1.75 115.31 128.95 2rgk h LEU 7 Ca -0.28 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rgk h LEU 7 Cb 1.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2rgk h LEU 7 CO 0.56 0.31 0.10 0.77 0.09 0.00 0.00 178.44 180.27 2rgk h SER 8 N 0.58 0.24 -0.45 -0.43 4.64 -1.94 0.49 113.55 116.68 2rgk h SER 8 Ca 0.34 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 2rgk h SER 8 Cb 0.52 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2rgk h SER 8 CO -0.12 0.26 0.09 -0.74 -0.87 0.00 0.00 176.83 175.45 2rgk h HIS 9 N 0.20 0.77 -0.16 4.77 -0.00 -1.70 -2.73 115.15 116.31 2rgk h HIS 9 Ca 0.07 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 2rgk h HIS 9 Cb 0.07 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 2rgk h HIS 9 CO -0.04 0.72 -0.05 -0.91 -0.00 0.00 0.00 177.93 177.66 2rgk h ASN 10 N 0.60 0.21 -0.27 3.26 4.21 -1.12 -0.92 115.58 121.55 2rgk h ASN 10 Ca 0.14 -0.03 -0.11 0.00 1.21 0.00 0.00 56.30 57.51 2rgk h ASN 10 Cb 0.35 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 2rgk h ASN 10 CO 0.01 0.30 -0.20 0.03 -1.29 0.00 0.00 177.43 176.27 2rgk h ARG 11 N 0.23 0.73 -0.39 0.81 3.08 -0.65 -0.12 114.38 118.06 2rgk h ARG 11 Ca 0.05 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 2rgk h ARG 11 Cb 0.23 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2rgk h ARG 11 CO 0.01 0.87 -0.12 2.35 -1.07 0.00 0.00 179.97 182.01 2rgk h TRP 12 N 0.64 0.75 -0.12 3.04 7.01 -0.95 -1.22 115.95 125.10 2rgk h TRP 12 Ca 0.10 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 2rgk h TRP 12 Cb 0.69 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.55 2rgk h TRP 12 CO 0.03 0.77 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.36 2rgk h LEU 13 N 0.62 0.22 -0.60 0.65 3.38 -0.66 -2.30 115.31 116.62 2rgk h LEU 13 Ca 0.11 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2rgk h LEU 13 Cb 0.57 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2rgk h LEU 13 CO 0.04 0.53 0.40 -0.08 0.09 0.00 0.00 178.44 179.41 2rgk h GLU 14 N -0.09 0.79 -0.53 1.13 4.81 -0.87 0.30 114.58 120.11 2rgk h GLU 14 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2rgk h GLU 14 Cb 0.43 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2rgk h GLU 14 CO 0.01 0.52 0.29 1.96 -0.73 0.00 0.00 179.01 181.06 2rgk h GLN 15 N 0.82 0.73 -0.00 1.92 4.20 -1.21 0.43 115.11 122.00 2rgk h GLN 15 Ca 0.22 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.66 2rgk h GLN 15 Cb -0.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 2rgk h GLN 15 CO -0.05 0.54 -0.87 1.49 -0.67 0.00 0.00 178.83 179.28 2rgk h GLU 16 N 0.74 0.22 -0.41 1.46 4.57 -0.78 -2.94 114.58 117.44 2rgk h GLU 16 Ca 0.19 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2rgk h GLU 16 Cb 0.02 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2rgk h GLU 16 CO -0.03 0.96 0.27 1.15 -1.18 0.00 0.00 179.01 180.18 2rgk h THR 17 N 0.12 1.11 -0.84 0.32 2.02 0.81 -1.69 112.91 114.76 2rgk h THR 17 Ca -0.05 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2rgk h THR 17 Cb 1.49 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 2rgk h THR 17 CO 0.13 0.10 0.52 0.44 0.37 0.00 0.00 175.52 177.09 2rgk h ASP 18 N 0.55 0.99 -0.45 4.18 3.45 -0.93 0.17 116.42 124.38 2rgk h ASP 18 Ca 0.15 -0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 2rgk h ASP 18 Cb -0.06 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 2rgk h ASP 18 CO -0.03 0.74 0.18 -0.09 -1.57 0.00 0.00 179.24 178.47 2rgk h ARG 19 N 1.14 0.73 -0.06 3.56 2.43 -1.22 -0.62 114.38 120.34 2rgk h ARG 19 Ca 0.30 -0.11 -0.23 0.00 -0.81 0.00 0.00 59.98 59.13 2rgk h ARG 19 Cb -0.08 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2rgk h ARG 19 CO -0.06 0.62 -0.89 0.82 -1.51 0.00 0.00 179.97 178.95 2rgk h ILE 20 N 0.72 1.31 -0.62 1.20 1.08 -0.36 -2.62 117.51 118.23 2rgk h ILE 20 Ca 0.17 -2.17 -0.01 0.00 -0.39 0.00 0.00 64.86 62.46 2rgk h ILE 20 Cb 0.18 2.21 -0.03 0.00 -3.07 0.00 0.00 36.82 36.10 2rgk h ILE 20 CO -0.01 0.67 0.34 -0.26 -0.69 0.00 0.00 178.15 178.20 2rgk h PHE 21 N 0.40 0.84 -0.59 1.37 0.04 -0.23 -2.87 116.94 115.90 2rgk h PHE 21 Ca -0.08 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 2rgk h PHE 21 Cb 1.52 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 39.37 2rgk h PHE 21 CO 0.08 0.60 0.26 -0.44 -0.60 0.00 0.00 178.31 178.21 2rgk h ASP 22 N 0.84 0.79 -0.74 2.17 3.32 -1.12 -2.98 116.42 118.70 2rgk h ASP 22 Ca 0.22 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.20 2rgk h ASP 22 Cb 0.04 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.32 2rgk h ASP 22 CO -0.04 0.72 0.41 0.15 -1.72 0.00 0.00 179.24 178.77 2rgk h PHE 23 N 0.81 0.74 0.00 4.55 3.57 -1.25 -2.38 116.94 122.98 2rgk h PHE 23 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2rgk h PHE 23 Cb 0.16 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2rgk h PHE 23 CO 0.00 0.31 0.00 0.41 -2.23 0.00 0.00 178.31 176.81 2rgk n GLY 24 N -1.30 -1.49 0.33 2.40 0.00 -1.13 -3.64 105.19 100.35 2rgk n GLY 24 Ca 0.11 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.33 2rgk n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rgk h LYS 25 N 0.00 0.00 -0.00 1.61 1.57 -1.32 -1.86 116.57 116.57 2rgk h LYS 25 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rgk h LYS 25 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2rgk h LYS 25 CO 0.00 0.00 -0.12 0.09 -0.57 0.00 0.00 179.45 178.85 2rgk n ASN 26 N -3.78 0.61 0.00 0.86 4.13 -1.24 -3.66 115.26 112.17 2rgk n ASN 26 Ca 0.00 -0.70 0.11 0.00 1.68 0.00 0.00 54.58 55.67 2rgk n ASN 26 Cb 0.26 -0.03 0.48 0.00 -1.54 0.00 0.00 39.78 38.95 2rgk n ASN 26 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2rgk n SER 27 N -0.84 0.00 -4.68 6.41 3.41 -0.70 -4.74 113.62 112.48 2rgk n SER 27 Ca 0.15 0.47 -0.45 0.00 -0.26 0.00 0.00 58.87 58.78 2rgk n SER 27 Cb 0.29 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 2rgk n SER 27 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2rgk n VAL 28 N -1.49 0.29 -4.07 -3.33 0.31 -1.24 0.61 118.33 109.41 2rgk n VAL 28 Ca 0.06 -0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 2rgk n VAL 28 Cb 0.26 -1.62 -0.09 0.00 -0.91 0.00 0.00 33.84 31.48 2rgk n VAL 28 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2rgk s VAL 29 N 0.66 0.10 0.21 2.52 -7.23 -0.06 -4.83 120.40 111.77 2rgk s VAL 29 Ca 0.75 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 2rgk s VAL 29 Cb -0.63 -1.92 0.17 0.00 0.56 0.00 0.00 36.38 34.55 2rgk s VAL 29 CO 0.40 -0.45 1.69 -0.65 -0.31 0.00 0.00 175.10 175.78 2rgk h PRO 30 N 2.77 0.17 -0.19 4.82 0.11 -2.01 -2.04 132.00 135.64 2rgk h PRO 30 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2rgk h PRO 30 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2rgk h PRO 30 CO 0.56 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 2rgk n THR 31 N -5.20 0.25 0.00 -1.15 -2.24 -1.26 -4.93 114.28 99.74 2rgk n THR 31 Ca 0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2rgk n THR 31 Cb 0.32 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2rgk n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rgk n GLY 32 N 0.89 0.60 3.31 3.38 0.00 -0.77 -4.68 105.19 107.93 2rgk n GLY 32 Ca 0.10 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 2rgk n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rgk s PHE 33 N 0.00 2.48 0.15 1.61 0.08 -1.26 -0.88 117.98 120.16 2rgk s PHE 33 Ca 0.00 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.46 2rgk s PHE 33 Cb 0.00 -1.60 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2rgk s PHE 33 CO 0.00 -0.14 0.21 0.41 -0.10 0.00 0.00 175.22 175.60 2rgk n GLY 34 N 2.83 1.55 3.48 4.36 0.00 0.20 -4.21 105.19 113.39 2rgk n GLY 34 Ca -0.17 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 2rgk n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2rgk s TRP 35 N -0.08 3.08 0.19 1.61 -0.11 -1.26 -4.87 118.94 117.51 2rgk s TRP 35 Ca 0.15 -0.32 -0.30 0.00 1.22 0.00 0.00 56.10 56.85 2rgk s TRP 35 Cb -0.01 -3.31 -0.08 0.00 -1.50 0.00 0.00 33.47 28.57 2rgk s TRP 35 CO 0.10 -0.90 0.97 -0.51 -4.62 0.00 0.00 176.95 171.99 2rgk s LEU 36 N 2.59 4.58 0.00 5.86 1.02 -1.26 0.44 118.68 131.90 2rgk s LEU 36 Ca 0.17 1.93 0.02 0.00 0.02 0.00 0.00 54.13 56.28 2rgk s LEU 36 Cb -0.17 -3.60 0.10 0.00 0.02 0.00 0.00 46.19 42.54 2rgk s LEU 36 CO 0.15 0.03 0.73 0.61 0.02 0.00 0.00 176.35 177.89 2rgk n GLY 37 N 1.77 1.09 0.00 -3.19 0.00 0.93 -1.58 105.19 104.22 2rgk n GLY 37 Ca -0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2rgk n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rgk n ASN 38 N -2.78 0.00 -0.11 1.61 5.03 -1.26 -0.29 115.26 117.46 2rgk n ASN 38 Ca 0.13 0.28 0.04 0.00 0.87 0.00 0.00 54.58 55.90 2rgk n ASN 38 Cb 0.46 -0.28 0.06 0.00 -1.02 0.00 0.00 39.78 39.01 2rgk n ASN 38 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2rgk n LYS 39 N -1.25 1.47 -1.03 3.52 4.01 -1.26 -4.76 118.16 118.86 2rgk n LYS 39 Ca 0.00 -1.80 -0.01 0.00 -0.51 0.00 0.00 58.31 55.99 2rgk n LYS 39 Cb 0.07 -1.10 -0.00 0.00 -0.51 0.00 0.00 35.03 33.49 2rgk n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2rgk n GLY 40 N -0.79 0.39 3.90 0.72 0.00 0.60 -4.99 105.19 105.02 2rgk n GLY 40 Ca 0.07 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2rgk n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rgk s GLN 41 N -0.98 3.67 -0.07 1.61 0.00 -1.26 -4.71 119.66 117.91 2rgk s GLN 41 Ca 0.00 0.18 -0.30 0.00 -0.00 0.00 0.00 55.36 55.25 2rgk s GLN 41 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 33.01 30.47 2rgk s GLN 41 CO 0.00 0.06 1.00 0.42 0.00 0.00 0.00 175.29 176.77 2rgk s ILE 42 N -2.29 4.80 -1.25 3.63 1.01 -1.26 -0.05 121.20 125.80 2rgk s ILE 42 Ca 0.47 2.05 -0.08 0.00 0.00 0.00 0.00 60.65 63.08 2rgk s ILE 42 Cb -0.10 -4.31 0.19 0.00 0.01 0.00 0.00 42.46 38.24 2rgk s ILE 42 CO 0.33 0.05 1.82 0.29 0.00 0.00 0.00 174.94 177.43 2rgk n LYS 43 N 4.66 3.80 -0.27 2.79 5.02 0.17 -4.85 118.16 129.48 2rgk n LYS 43 Ca 0.08 -3.70 0.28 0.00 -2.02 0.00 0.00 58.31 52.95 2rgk n LYS 43 Cb 0.49 -2.85 0.43 0.00 -0.02 0.00 0.00 35.03 33.09 2rgk n LYS 43 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2rgk n GLU 44 N 3.35 0.01 0.10 1.97 0.00 -1.26 -0.24 120.64 124.58 2rgk n GLU 44 Ca 0.38 0.88 -0.03 0.00 0.00 0.00 0.00 57.16 58.38 2rgk n GLU 44 Cb 0.35 -2.15 0.17 0.00 0.00 0.00 0.00 31.44 29.81 2rgk n GLU 44 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2rgk h GLU 45 N 0.00 0.18 0.00 3.44 3.07 -1.96 -2.89 114.58 116.41 2rgk h GLU 45 Ca 0.49 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2rgk h GLU 45 Cb 2.64 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 30.56 2rgk h GLU 45 CO -0.01 0.68 0.00 0.52 -1.40 0.00 0.00 179.01 178.81 2rgk h MET 46 N 0.13 0.00 0.00 2.33 2.86 -0.99 -3.48 114.93 115.78 2rgk h MET 46 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2rgk h MET 46 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2rgk h MET 46 CO 0.08 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.46 2rgk n GLY 47 N -0.23 -0.74 3.15 8.32 0.00 -1.10 -4.67 105.19 109.92 2rgk n GLY 47 Ca -0.00 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 2rgk n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rgk s THR 48 N 0.00 3.11 0.25 2.61 2.01 0.88 -3.98 115.64 120.53 2rgk s THR 48 Ca 0.00 -1.73 -0.20 0.00 0.31 0.00 0.00 61.69 60.07 2rgk s THR 48 Cb 0.00 -2.97 -0.09 0.00 0.01 0.00 0.00 72.50 69.45 2rgk s THR 48 CO 0.00 -0.40 0.76 -1.00 -0.69 0.00 0.00 174.62 173.29 2rgk s HIS 49 N 1.19 3.62 0.04 4.92 3.76 -1.26 -1.72 115.29 125.84 2rgk s HIS 49 Ca 0.02 1.43 -0.25 0.00 -0.15 0.00 0.00 55.06 56.10 2rgk s HIS 49 Cb -0.21 -2.65 -0.17 0.00 1.11 0.00 0.00 32.58 30.66 2rgk s HIS 49 CO -0.03 0.29 1.52 1.25 -0.85 0.00 0.00 174.74 176.91 2rgk h LEU 50 N 3.23 -0.15 -0.87 0.89 5.85 -1.54 -1.91 115.31 120.83 2rgk h LEU 50 Ca -0.48 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.17 2rgk h LEU 50 Cb 1.19 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 2rgk h LEU 50 CO 0.65 0.07 0.53 4.11 -0.34 0.00 0.00 178.44 183.45 2rgk h TRP 51 N -0.36 0.97 -0.03 1.25 5.08 -1.83 0.13 115.95 121.15 2rgk h TRP 51 Ca -0.02 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.98 2rgk h TRP 51 Cb 0.29 -0.31 -0.00 0.00 -3.00 0.00 0.00 29.16 26.14 2rgk h TRP 51 CO -0.01 0.46 0.01 0.82 -1.28 0.00 0.00 178.44 178.44 2rgk h ILE 52 N 0.93 1.15 -0.92 0.12 2.04 -1.90 0.03 117.51 118.96 2rgk h ILE 52 Ca 0.39 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2rgk h ILE 52 Cb 0.25 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2rgk h ILE 52 CO -0.20 0.12 0.55 0.74 0.00 0.00 0.00 178.15 179.36 2rgk h THR 53 N -0.12 1.25 -0.40 -0.27 2.02 -0.87 -0.82 112.91 113.69 2rgk h THR 53 Ca 0.01 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2rgk h THR 53 Cb 0.18 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 2rgk h THR 53 CO -0.00 0.26 0.10 0.00 0.37 0.00 0.00 175.52 176.25 2rgk h ALA 54 N 1.30 0.53 0.12 6.16 0.00 -0.61 -1.69 119.26 125.08 2rgk h ALA 54 Ca 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2rgk h ALA 54 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2rgk h ALA 54 CO -0.06 0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.33 2rgk h ARG 55 N 0.50 -0.16 -0.58 0.00 3.08 -0.54 -2.37 114.38 114.31 2rgk h ARG 55 Ca 0.13 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.28 2rgk h ARG 55 Cb 0.31 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 2rgk h ARG 55 CO 0.00 -0.01 0.20 0.52 -1.07 0.00 0.00 179.97 179.62 2rgk h MET 56 N -0.29 0.36 -0.95 0.04 2.86 -1.12 0.40 114.93 116.23 2rgk h MET 56 Ca -0.02 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.72 2rgk h MET 56 Cb 0.23 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.73 2rgk h MET 56 CO 0.03 0.24 0.61 1.25 1.06 0.00 0.00 176.91 180.10 2rgk h LEU 57 N 0.37 0.85 -0.16 1.22 5.85 -1.16 -0.09 115.31 122.20 2rgk h LEU 57 Ca 0.29 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.98 2rgk h LEU 57 Cb 0.37 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2rgk h LEU 57 CO -0.31 0.47 -0.18 -0.74 -0.34 0.00 0.00 178.44 177.34 2rgk h HIS 58 N 0.92 0.49 -0.54 1.25 2.76 -0.27 -2.84 115.15 116.92 2rgk h HIS 58 Ca 0.46 -0.15 0.01 0.00 -2.20 0.00 0.00 60.37 58.49 2rgk h HIS 58 Cb 0.49 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 2rgk h HIS 58 CO -0.00 0.79 0.35 0.28 -1.30 0.00 0.00 177.93 178.06 2rgk h VAL 59 N 0.05 1.13 0.00 5.26 2.07 0.70 -2.70 116.25 122.76 2rgk h VAL 59 Ca 0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2rgk h VAL 59 Cb 0.72 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2rgk h VAL 59 CO 0.04 0.13 0.00 1.88 0.02 0.00 0.00 177.57 179.64 2rgk h TYR 60 N 0.72 0.00 -0.42 1.57 0.05 -1.12 -2.20 116.97 115.58 2rgk h TYR 60 Ca 0.20 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.88 2rgk h TYR 60 Cb -0.08 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 2rgk h TYR 60 CO -0.04 0.00 -0.16 0.77 -1.05 0.00 0.00 178.16 177.68 2rgk h SER 61 N 0.00 0.78 -0.25 3.88 0.02 -1.22 0.01 113.55 116.78 2rgk h SER 61 Ca 0.00 -0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 60.58 2rgk h SER 61 Cb 0.68 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2rgk h SER 61 CO 0.00 0.95 -0.29 0.58 -1.14 0.00 0.00 176.83 176.92 2rgk h VAL 62 N 0.70 1.31 -0.46 2.27 2.07 -1.34 -2.32 116.25 118.48 2rgk h VAL 62 Ca 0.11 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 2rgk h VAL 62 Cb 0.66 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2rgk h VAL 62 CO 0.05 0.46 0.19 0.00 0.02 0.00 0.00 177.57 178.29 2rgk h ALA 63 N 0.67 1.47 -0.48 1.67 0.00 -1.18 -2.04 119.26 119.36 2rgk h ALA 63 Ca 0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2rgk h ALA 63 Cb 0.86 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2rgk h ALA 63 CO 0.07 0.41 -0.22 0.00 0.00 0.00 0.00 179.25 179.51 2rgk h ALA 64 N 1.56 0.69 0.00 0.00 0.00 -0.88 -1.94 119.26 118.68 2rgk h ALA 64 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2rgk h ALA 64 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2rgk h ALA 64 CO -0.02 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2rgk h ALA 65 N 0.88 1.00 -0.18 0.00 0.00 -0.86 -2.08 119.26 118.01 2rgk h ALA 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2rgk h ALA 65 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2rgk h ALA 65 CO 0.07 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.99 2rgk n MET 66 N -2.31 1.82 -1.04 0.00 2.00 -0.76 -4.73 117.12 112.11 2rgk n MET 66 Ca 0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 57.70 56.48 2rgk n MET 66 Cb 0.24 -1.41 -0.01 0.00 0.00 0.00 0.00 33.22 32.05 2rgk n MET 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2rgk n GLY 67 N 1.17 0.48 3.57 3.03 0.00 -0.78 -5.02 105.19 107.64 2rgk n GLY 67 Ca 0.16 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 2rgk n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rgk s ARG 68 N -1.99 3.62 0.41 1.61 3.00 -1.05 -5.03 118.95 119.51 2rgk s ARG 68 Ca 0.00 0.06 -0.26 0.00 0.00 0.00 0.00 55.73 55.53 2rgk s ARG 68 Cb 0.00 -3.84 -0.09 0.00 0.00 0.00 0.00 34.95 31.02 2rgk s ARG 68 CO 0.00 -0.86 1.37 -1.25 0.00 0.00 0.00 175.30 174.56 2rgk s PRO 69 N 2.93 3.94 0.00 3.54 0.04 -1.26 -2.52 135.00 141.67 2rgk s PRO 69 Ca 0.27 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2rgk s PRO 69 Cb -0.14 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2rgk s PRO 69 CO 0.17 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.05 2rgk n GLY 70 N 0.62 2.54 0.11 0.56 0.00 -1.26 -4.90 105.19 102.85 2rgk n GLY 70 Ca 0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2rgk n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rgk h ALA 71 N 0.00 0.22 -0.20 4.61 0.00 -1.82 -1.95 119.26 120.12 2rgk h ALA 71 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2rgk h ALA 71 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2rgk h ALA 71 CO 0.00 -0.37 0.13 -0.92 0.00 0.00 0.00 179.25 178.08 2rgk h TYR 72 N 0.14 0.25 -0.16 0.00 3.20 -1.81 -0.40 116.97 118.19 2rgk h TYR 72 Ca 0.09 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 2rgk h TYR 72 Cb 0.08 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2rgk h TYR 72 CO -0.14 0.17 -0.35 0.77 -1.64 0.00 0.00 178.16 176.97 2rgk h SER 73 N 0.27 0.35 0.50 -2.11 0.02 -1.76 -1.05 113.55 109.78 2rgk h SER 73 Ca 0.07 -0.14 -0.20 0.00 -0.84 0.00 0.00 61.79 60.69 2rgk h SER 73 Cb -0.02 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2rgk h SER 73 CO -0.01 0.69 -0.87 -0.07 -1.14 0.00 0.00 176.83 175.42 2rgk h LEU 74 N 0.29 0.33 -0.44 5.07 3.38 -0.66 -1.13 115.31 122.15 2rgk h LEU 74 Ca 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2rgk h LEU 74 Cb 0.76 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2rgk h LEU 74 CO 0.06 1.05 0.15 0.58 0.09 0.00 0.00 178.44 180.37 2rgk h VAL 75 N 0.14 1.21 -0.65 1.22 2.07 -0.88 0.29 116.25 119.66 2rgk h VAL 75 Ca -0.05 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2rgk h VAL 75 Cb 1.49 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2rgk h VAL 75 CO 0.14 0.25 0.39 -0.78 0.02 0.00 0.00 177.57 177.59 2rgk h ASP 76 N 0.57 0.78 -0.73 0.57 3.58 -1.12 -0.35 116.42 119.72 2rgk h ASP 76 Ca 0.14 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 2rgk h ASP 76 Cb 0.23 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 2rgk h ASP 76 CO -0.01 0.61 0.25 -0.74 -2.88 0.00 0.00 179.24 176.47 2rgk h HIS 77 N 0.88 1.16 -0.26 0.28 2.76 -0.76 -1.16 115.15 118.04 2rgk h HIS 77 Ca 0.23 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2rgk h HIS 77 Cb -0.03 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.58 2rgk h HIS 77 CO -0.02 0.91 0.17 0.78 -1.30 0.00 0.00 177.93 178.47 2rgk h GLY 78 N 1.07 0.37 1.21 5.26 0.00 0.27 -0.71 103.07 110.54 2rgk h GLY 78 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2rgk h GLY 78 CO -0.01 0.13 0.19 -2.22 0.00 0.00 0.00 176.54 174.63 2rgk h ILE 79 N 0.35 1.24 0.00 2.60 2.04 -0.80 -0.57 117.51 122.37 2rgk h ILE 79 Ca 0.10 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 65.01 2rgk h ILE 79 Cb -0.04 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2rgk h ILE 79 CO -0.02 0.33 -0.43 0.11 0.00 0.00 0.00 178.15 178.13 2rgk h LYS 80 N 0.96 0.00 -0.28 2.37 1.57 -0.94 -2.47 116.57 117.78 2rgk h LYS 80 Ca 0.21 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.84 2rgk h LYS 80 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2rgk h LYS 80 CO -0.01 0.43 -0.41 0.00 -0.57 0.00 0.00 179.45 178.90 2rgk h ALA 81 N 1.57 0.43 0.00 3.86 0.00 -0.41 -0.37 119.26 124.33 2rgk h ALA 81 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2rgk h ALA 81 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2rgk h ALA 81 CO 0.06 0.54 0.00 -1.33 0.00 0.00 0.00 179.25 178.52 2rgk n MET 82 N -4.15 0.04 0.00 0.00 2.81 -0.29 -1.42 117.12 114.11 2rgk n MET 82 Ca -0.04 0.31 0.06 0.00 -1.81 0.00 0.00 57.70 56.21 2rgk n MET 82 Cb 0.55 -1.58 0.04 0.00 -0.71 0.00 0.00 33.22 31.51 2rgk n MET 82 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2rgk n ASN 83 N -1.66 1.82 0.00 7.83 5.03 -0.96 -4.47 115.26 122.85 2rgk n ASN 83 Ca 0.03 -1.41 0.00 0.00 0.87 0.00 0.00 54.58 54.07 2rgk n ASN 83 Cb 0.17 0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 2rgk n ASN 83 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rgk n GLY 84 N 0.69 1.26 0.31 7.41 0.00 -0.19 -4.85 105.19 109.83 2rgk n GLY 84 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2rgk n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rgk h ALA 85 N -0.07 0.24 -0.19 4.61 0.00 -1.86 -0.98 119.26 121.01 2rgk h ALA 85 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2rgk h ALA 85 Cb 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2rgk h ALA 85 CO 0.00 -0.54 0.17 -0.07 0.00 0.00 0.00 179.25 178.82 2rgk h LEU 86 N -0.07 0.00 -9.36 0.00 3.38 -1.83 -3.42 115.31 104.01 2rgk h LEU 86 Ca 0.30 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.72 2rgk h LEU 86 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2rgk h LEU 86 CO -0.73 0.00 0.32 -0.60 0.09 0.00 0.00 178.44 177.52 2rgk s ARG 87 N -4.79 4.49 -0.79 1.13 3.52 -0.38 -1.02 118.95 121.12 2rgk s ARG 87 Ca -0.05 1.24 -0.25 0.00 -0.13 0.00 0.00 55.73 56.54 2rgk s ARG 87 Cb 0.16 -3.48 0.04 0.00 -1.56 0.00 0.00 34.95 30.12 2rgk s ARG 87 CO 0.60 -0.07 1.26 0.34 -0.81 0.00 0.00 175.30 176.62 2rgk s ASP 88 N 0.97 6.25 0.39 -2.12 -1.08 -0.40 -4.86 116.67 115.82 2rgk s ASP 88 Ca 0.46 -0.80 0.28 0.00 -0.52 0.00 0.00 52.55 51.97 2rgk s ASP 88 Cb -0.19 -2.53 1.28 0.00 -1.46 0.00 0.00 42.92 40.01 2rgk s ASP 88 CO 0.23 -1.68 1.84 0.11 0.52 0.00 0.00 175.17 176.19 2rgk h LYS 89 N 9.86 0.00 0.00 4.34 6.56 -1.90 0.36 116.57 135.79 2rgk h LYS 89 Ca -0.17 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.28 2rgk h LYS 89 Cb 1.04 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.68 2rgk h LYS 89 CO 1.29 0.00 -0.77 -0.22 -2.06 0.00 0.00 179.45 177.68 2rgk h LYS 90 N 0.00 0.01 0.00 3.15 3.64 -1.98 -3.41 116.57 117.98 2rgk h LYS 90 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2rgk h LYS 90 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2rgk h LYS 90 CO 0.00 1.01 -0.67 0.66 -2.27 0.00 0.00 179.45 178.18 2rgk n TYR 91 N -4.49 0.00 0.00 1.91 4.01 -1.22 -5.12 117.16 112.26 2rgk n TYR 91 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2rgk n TYR 91 Cb 0.61 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2rgk n TYR 91 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rgk n GLY 92 N 1.34 -0.22 7.00 2.72 0.00 0.12 -4.98 105.19 111.17 2rgk n GLY 92 Ca 0.02 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2rgk n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rgk n GLY 93 N -0.13 -1.57 3.06 -0.02 0.00 -1.26 -4.47 105.19 100.80 2rgk n GLY 93 Ca 0.00 -1.31 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 2rgk n GLY 93 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rgk s TRP 94 N 0.00 1.01 0.61 1.61 0.51 -1.26 -1.27 118.94 120.14 2rgk s TRP 94 Ca 0.00 -0.20 -0.18 0.00 -2.12 0.00 0.00 56.10 53.60 2rgk s TRP 94 Cb 0.00 -0.66 -0.03 0.00 -0.81 0.00 0.00 33.47 31.98 2rgk s TRP 94 CO 0.00 -0.03 1.19 0.71 -0.51 0.00 0.00 176.95 178.32 2rgk s TYR 95 N -0.22 2.40 0.35 -1.98 2.02 -0.18 -4.64 117.35 115.09 2rgk s TYR 95 Ca 0.04 1.53 0.12 0.00 -0.37 0.00 0.00 57.07 58.39 2rgk s TYR 95 Cb -0.05 -3.44 0.66 0.00 -0.40 0.00 0.00 41.96 38.73 2rgk s TYR 95 CO -0.00 -2.16 1.79 0.00 -1.57 0.00 0.00 175.55 173.61 2rgk h ALA 96 N 0.75 1.31 -2.03 3.71 0.00 -0.50 -3.40 119.26 119.10 2rgk h ALA 96 Ca -0.50 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 53.99 2rgk h ALA 96 Cb 1.29 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.81 2rgk h ALA 96 CO 0.55 0.52 0.12 0.00 0.00 0.00 0.00 179.25 180.43 2rgk s VAL 98 N 0.14 0.01 0.19 0.00 -7.23 -0.70 -0.50 120.40 112.31 2rgk s VAL 98 Ca -0.02 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 2rgk s VAL 98 Cb -0.04 -2.27 -0.00 0.00 0.56 0.00 0.00 36.38 34.62 2rgk s VAL 98 CO 0.02 -0.04 0.24 -0.46 -0.31 0.00 0.00 175.10 174.55 2rgk n ASN 99 N -0.31 -0.66 0.00 4.85 0.23 -0.41 -0.08 115.26 118.87 2rgk n ASN 99 Ca -0.01 -2.11 0.04 0.00 -0.53 0.00 0.00 54.58 51.98 2rgk n ASN 99 Cb 0.64 1.29 0.21 0.00 -2.08 0.00 0.00 39.78 39.83 2rgk n ASN 99 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2rgk n ASP 100 N -1.97 0.00 -0.06 0.53 8.00 -1.26 -2.42 116.55 119.37 2rgk n ASP 100 Ca 0.01 0.26 -0.01 0.00 0.71 0.00 0.00 54.79 55.76 2rgk n ASP 100 Cb 0.33 -0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 2rgk n ASP 100 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2rgk n GLU 101 N -1.35 0.79 -1.20 -1.24 4.71 -1.26 -5.11 120.64 115.99 2rgk n GLU 101 Ca 0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 2rgk n GLU 101 Cb 0.08 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 2rgk n GLU 101 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2rgk n GLY 102 N 1.63 -0.48 3.67 0.62 0.00 -1.02 -5.11 105.19 104.51 2rgk n GLY 102 Ca -0.19 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 2rgk n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rgk s VAL 103 N -3.70 4.87 -0.09 1.61 1.01 -1.26 -1.29 120.40 121.55 2rgk s VAL 103 Ca 0.00 1.64 -0.09 0.00 0.00 0.00 0.00 61.98 63.53 2rgk s VAL 103 Cb 0.00 -4.14 -0.28 0.00 0.00 0.00 0.00 36.38 31.96 2rgk s VAL 103 CO 0.00 0.01 0.50 0.58 0.00 0.00 0.00 175.10 176.19 2rgk h VAL 104 N 5.23 0.76 -2.66 2.92 2.07 -1.11 -3.45 116.25 120.00 2rgk h VAL 104 Ca -0.28 -2.42 -0.40 0.00 0.82 0.00 0.00 66.70 64.42 2rgk h VAL 104 Cb 1.12 2.62 -0.38 0.00 -1.52 0.00 0.00 31.29 33.14 2rgk h VAL 104 CO 0.84 0.89 -0.69 -0.62 0.02 0.00 0.00 177.57 178.01 2rgk s ASP 105 N -7.16 2.07 0.00 0.57 -1.08 -0.36 -4.96 116.67 105.75 2rgk s ASP 105 Ca -0.19 -0.59 0.30 0.00 -0.52 0.00 0.00 52.55 51.54 2rgk s ASP 105 Cb 0.06 0.10 1.49 0.00 -1.46 0.00 0.00 42.92 43.12 2rgk s ASP 105 CO 0.81 -0.36 2.03 0.00 0.52 0.00 0.00 175.17 178.16 2rgk n ALA 106 N 5.29 2.58 -1.23 3.66 0.00 -1.26 -1.33 120.51 128.22 2rgk n ALA 106 Ca -0.05 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.86 2rgk n ALA 106 Cb 0.48 -1.45 0.11 0.00 0.00 0.00 0.00 19.45 18.58 2rgk n ALA 106 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2rgk s SER 107 N -2.47 3.89 -0.58 0.00 1.04 -1.26 -3.79 113.70 110.52 2rgk s SER 107 Ca 0.31 2.36 -0.03 0.00 0.48 0.00 0.00 55.95 59.07 2rgk s SER 107 Cb 0.20 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.89 2rgk s SER 107 CO 0.45 -2.47 0.40 -0.54 0.98 0.00 0.00 173.24 172.06 2rgk s LYS 108 N -4.04 2.47 -0.10 4.02 -0.14 -0.76 -1.91 119.74 119.28 2rgk s LYS 108 Ca 0.74 -2.38 -0.25 0.00 -1.36 0.00 0.00 55.97 52.72 2rgk s LYS 108 Cb -0.29 -3.72 -0.03 0.00 -1.68 0.00 0.00 37.83 32.12 2rgk s LYS 108 CO 0.48 -1.16 0.78 -0.65 -0.76 0.00 0.00 175.35 174.04 2rgk s GLN 109 N 0.19 4.39 0.05 1.68 -0.21 -1.26 -1.41 119.66 123.10 2rgk s GLN 109 Ca 0.15 0.98 -0.17 0.00 0.02 0.00 0.00 55.36 56.34 2rgk s GLN 109 Cb -0.21 -3.50 -0.07 0.00 1.00 0.00 0.00 33.01 30.23 2rgk s GLN 109 CO -0.04 -0.11 1.28 0.78 -2.12 0.00 0.00 175.29 175.08 2rgk h GLY 110 N 7.40 -1.22 0.34 3.09 0.00 -0.33 -1.80 103.07 110.56 2rgk h GLY 110 Ca -0.36 0.60 0.23 0.00 0.00 0.00 0.00 47.33 47.80 2rgk h GLY 110 CO 0.78 -0.37 0.59 0.10 0.00 0.00 0.00 176.54 177.65 2rgk h TYR 111 N -0.36 0.12 -0.09 5.60 -0.00 -1.83 0.28 116.97 120.68 2rgk h TYR 111 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.54 2rgk h TYR 111 Cb 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 36.73 37.06 2rgk h TYR 111 CO -0.40 0.03 -0.74 1.96 -0.00 0.00 0.00 178.16 179.01 2rgk h GLN 112 N 0.09 0.49 -0.02 0.10 4.20 -1.85 -1.81 115.11 116.32 2rgk h GLN 112 Ca 0.41 -0.40 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 2rgk h GLN 112 Cb 1.49 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.34 2rgk h GLN 112 CO -0.04 1.03 -0.51 0.45 -0.67 0.00 0.00 178.83 179.09 2rgk h HIS 113 N 0.33 0.06 0.00 2.96 3.86 0.33 -1.10 115.15 121.59 2rgk h HIS 113 Ca -0.04 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.02 2rgk h HIS 113 Cb 1.33 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.77 2rgk h HIS 113 CO 0.05 0.55 -0.62 0.74 0.86 0.00 0.00 177.93 179.51 2rgk h PHE 114 N 0.04 0.00 0.00 2.45 0.04 -0.95 -1.53 116.94 116.99 2rgk h PHE 114 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2rgk h PHE 114 Cb 0.92 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 2rgk h PHE 114 CO 0.00 0.62 -0.48 0.74 -0.60 0.00 0.00 178.31 178.59 2rgk h PHE 115 N 0.00 0.00 -0.32 -0.55 0.04 -0.75 -0.82 116.94 114.54 2rgk h PHE 115 Ca -0.01 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2rgk h PHE 115 Cb 1.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 2rgk h PHE 115 CO 0.00 0.48 0.01 0.00 -0.60 0.00 0.00 178.31 178.20 2rgk h ALA 116 N 1.52 0.43 -0.73 2.45 0.00 -0.63 0.37 119.26 122.66 2rgk h ALA 116 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2rgk h ALA 116 Cb 0.98 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2rgk h ALA 116 CO 0.06 0.18 0.43 1.25 0.00 0.00 0.00 179.25 181.17 2rgk h LEU 117 N 0.37 0.90 0.64 0.00 5.85 -0.94 0.08 115.31 122.20 2rgk h LEU 117 Ca 0.09 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2rgk h LEU 117 Cb 0.43 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2rgk h LEU 117 CO 0.01 0.71 -0.31 0.25 -0.34 0.00 0.00 178.44 178.77 2rgk h LEU 118 N 1.01 -0.72 -0.56 2.25 5.85 -0.82 -0.65 115.31 121.66 2rgk h LEU 118 Ca 0.26 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.09 2rgk h LEU 118 Cb -0.01 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 2rgk h LEU 118 CO -0.05 -0.50 0.17 1.23 -0.34 0.00 0.00 178.44 178.96 2rgk h GLY 119 N -0.88 0.75 0.98 3.75 0.00 -0.74 0.46 103.07 107.39 2rgk h GLY 119 Ca -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.17 2rgk h GLY 119 CO 0.14 -0.04 0.35 0.00 0.00 0.00 0.00 176.54 176.99 2rgk h ALA 120 N 1.41 0.68 -0.53 3.60 0.00 -0.84 0.17 119.26 123.75 2rgk h ALA 120 Ca 0.28 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2rgk h ALA 120 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2rgk h ALA 120 CO -0.32 0.11 -0.10 0.00 0.00 0.00 0.00 179.25 178.93 2rgk h ALA 121 N 1.20 0.80 -0.17 0.00 0.00 -0.37 -1.95 119.26 118.78 2rgk h ALA 121 Ca 0.20 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2rgk h ALA 121 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2rgk h ALA 121 CO -0.05 0.66 -0.46 0.77 0.00 0.00 0.00 179.25 180.17 2rgk h SER 122 N 0.89 0.45 -0.60 0.00 0.02 -0.71 -2.76 113.55 110.83 2rgk h SER 122 Ca 0.14 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2rgk h SER 122 Cb 0.66 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2rgk h SER 122 CO 0.05 0.85 0.37 0.00 -1.14 0.00 0.00 176.83 176.95 2rgk h ALA 123 N 1.17 1.49 0.00 3.77 0.00 -0.18 -1.98 119.26 123.54 2rgk h ALA 123 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2rgk h ALA 123 Cb 0.95 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2rgk h ALA 123 CO 0.08 0.44 -0.02 0.28 0.00 0.00 0.00 179.25 180.03 2rgk h VAL 124 N 0.84 0.84 0.00 0.00 2.07 -1.06 -1.55 116.25 117.40 2rgk h VAL 124 Ca 0.22 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2rgk h VAL 124 Cb -0.03 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2rgk h VAL 124 CO -0.04 0.02 0.00 0.71 0.02 0.00 0.00 177.57 178.28 2rgk h THR 125 N 0.00 0.00 0.00 2.57 1.35 -1.41 -2.36 112.91 113.06 2rgk h THR 125 Ca -0.00 -0.42 -0.14 0.00 -0.55 0.00 0.00 66.41 65.30 2rgk h THR 125 Cb 0.05 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 2rgk h THR 125 CO 0.00 0.00 -0.68 0.71 -0.25 0.00 0.00 175.52 175.31 2rgk h THR 126 N 0.00 1.26 0.00 6.82 1.35 -1.39 -3.48 112.91 117.48 2rgk h THR 126 Ca 0.00 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.34 2rgk h THR 126 Cb 0.46 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 2rgk h THR 126 CO 0.00 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 2rgk n GLY 127 N 0.96 0.77 3.66 5.82 0.00 -0.89 -5.02 105.19 110.49 2rgk n GLY 127 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 2rgk n GLY 127 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2rgk n HIS 128 N -2.23 2.06 0.11 1.61 -0.00 -1.26 -4.83 115.22 110.69 2rgk n HIS 128 Ca 0.00 0.34 0.20 0.00 -0.00 0.00 0.00 57.72 58.25 2rgk n HIS 128 Cb 0.00 -2.51 0.71 0.00 -0.00 0.00 0.00 29.99 28.20 2rgk n HIS 128 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2rgk h PRO 129 N 6.43 0.00 -0.02 1.57 0.13 -1.96 -0.56 132.00 137.59 2rgk h PRO 129 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2rgk h PRO 129 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2rgk h PRO 129 CO 0.88 0.00 -0.13 0.39 -0.23 0.00 0.00 178.00 178.91 2rgk n GLU 130 N -3.51 1.71 -0.04 0.86 -0.58 -1.26 -4.55 120.64 113.28 2rgk n GLU 130 Ca 0.07 -1.46 -0.12 0.00 -0.42 0.00 0.00 57.16 55.24 2rgk n GLU 130 Cb 0.68 -1.39 -0.06 0.00 -0.57 0.00 0.00 31.44 30.10 2rgk n GLU 130 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rgk h ALA 131 N 3.79 0.17 -0.83 0.62 0.00 -1.43 -2.21 119.26 119.38 2rgk h ALA 131 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2rgk h ALA 131 Cb 0.79 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2rgk h ALA 131 CO 0.00 -0.17 0.51 0.00 0.00 0.00 0.00 179.25 179.59 2rgk h ARG 132 N 0.00 0.93 -0.44 0.00 2.47 -1.80 -1.04 114.38 114.49 2rgk h ARG 132 Ca 0.04 -0.06 0.05 0.00 -1.26 0.00 0.00 59.98 58.75 2rgk h ARG 132 Cb 0.28 -0.21 -0.05 0.00 -1.65 0.00 0.00 29.97 28.35 2rgk h ARG 132 CO 0.00 0.62 0.18 -0.22 0.56 0.00 0.00 179.97 181.11 2rgk h LYS 133 N 0.96 0.36 -0.52 0.04 1.63 -1.79 -1.00 116.57 116.25 2rgk h LYS 133 Ca 0.35 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.09 2rgk h LYS 133 Cb 0.11 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2rgk h LYS 133 CO -0.15 0.24 0.17 1.25 -3.45 0.00 0.00 179.45 177.51 2rgk h LEU 134 N 0.37 0.75 -0.21 5.20 5.85 -0.71 -2.14 115.31 124.42 2rgk h LEU 134 Ca 0.20 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2rgk h LEU 134 Cb 0.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2rgk h LEU 134 CO -0.18 0.75 0.10 0.25 -0.34 0.00 0.00 178.44 179.02 2rgk h LEU 135 N 0.71 0.15 -0.41 2.25 5.85 -0.73 0.43 115.31 123.57 2rgk h LEU 135 Ca 0.17 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2rgk h LEU 135 Cb 0.26 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2rgk h LEU 135 CO -0.01 0.12 0.23 0.44 -0.34 0.00 0.00 178.44 178.88 2rgk h ASP 136 N 0.22 0.37 -0.70 1.25 3.32 -1.09 0.69 116.42 120.48 2rgk h ASP 136 Ca 0.09 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2rgk h ASP 136 Cb 0.02 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2rgk h ASP 136 CO -0.06 0.26 0.36 0.22 -1.72 0.00 0.00 179.24 178.30 2rgk h TYR 137 N 0.47 0.98 -0.50 4.55 3.20 -1.15 -2.25 116.97 122.27 2rgk h TYR 137 Ca 0.17 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 2rgk h TYR 137 Cb 0.03 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 2rgk h TYR 137 CO -0.08 0.71 0.06 1.15 -1.64 0.00 0.00 178.16 178.36 2rgk h THR 138 N 0.96 1.23 -0.68 1.81 2.02 -0.31 -2.54 112.91 115.41 2rgk h THR 138 Ca 0.24 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 2rgk h THR 138 Cb 0.08 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2rgk h THR 138 CO -0.03 0.33 0.33 0.40 0.37 0.00 0.00 175.52 176.92 2rgk h ILE 139 N 0.76 1.22 0.24 3.11 2.04 -0.49 -1.13 117.51 123.26 2rgk h ILE 139 Ca 0.16 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2rgk h ILE 139 Cb 0.37 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2rgk h ILE 139 CO 0.01 0.26 -0.23 -0.33 0.00 0.00 0.00 178.15 177.86 2rgk h GLU 140 N 0.94 -0.48 -0.70 2.37 5.08 -1.01 0.63 114.58 121.40 2rgk h GLU 140 Ca 0.23 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2rgk h GLU 140 Cb 0.10 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2rgk h GLU 140 CO -0.03 -0.32 0.46 0.82 -1.00 0.00 0.00 179.01 178.94 2rgk h ILE 141 N -0.50 1.16 -0.15 3.13 1.08 -1.35 -1.05 117.51 119.83 2rgk h ILE 141 Ca -0.01 -0.32 -0.04 0.00 -0.39 0.00 0.00 64.86 64.11 2rgk h ILE 141 Cb 0.46 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 2rgk h ILE 141 CO -0.04 0.17 -0.05 0.40 -0.69 0.00 0.00 178.15 177.93 2rgk h ILE 142 N 0.92 1.30 0.00 -0.67 1.08 -0.83 -0.52 117.51 118.79 2rgk h ILE 142 Ca 0.26 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 2rgk h ILE 142 Cb -0.07 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 2rgk h ILE 142 CO -0.06 0.31 0.00 -0.62 -0.69 0.00 0.00 178.15 177.09 2rgk n GLU 143 N -4.67 0.00 -0.11 2.37 1.02 0.18 -0.54 120.64 118.89 2rgk n GLU 143 Ca -0.06 0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 57.11 2rgk n GLU 143 Cb 0.28 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 2rgk n GLU 143 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2rgk n LYS 144 N -1.51 0.69 0.00 3.49 4.81 -0.43 -4.73 118.16 120.49 2rgk n LYS 144 Ca 0.05 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2rgk n LYS 144 Cb 0.23 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.77 2rgk n LYS 144 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2rgk n TYR 145 N -3.01 0.00 0.02 5.64 4.01 -0.22 -4.90 117.16 118.71 2rgk n TYR 145 Ca -0.39 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.36 2rgk n TYR 145 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.08 2rgk n TYR 145 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2rgk n PHE 146 N -1.02 0.00 -3.57 -0.72 3.72 -0.19 -4.76 117.46 110.93 2rgk n PHE 146 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2rgk n PHE 146 Cb 0.00 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 38.42 2rgk n PHE 146 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 2rgk s TRP 147 N -1.80 3.33 -0.21 1.38 -0.11 0.29 -0.90 118.94 120.91 2rgk s TRP 147 Ca -0.00 -1.44 -0.29 0.00 1.22 0.00 0.00 56.10 55.58 2rgk s TRP 147 Cb 0.01 -3.01 -0.03 0.00 -1.50 0.00 0.00 33.47 28.94 2rgk s TRP 147 CO 0.06 -0.84 1.60 0.45 -4.62 0.00 0.00 176.95 173.60 2rgk s SER 148 N 2.21 6.41 0.21 5.86 0.15 -0.06 -4.77 113.70 123.72 2rgk s SER 148 Ca 0.03 1.64 -0.04 0.00 0.70 0.00 0.00 55.95 58.28 2rgk s SER 148 Cb -0.23 -2.53 0.19 0.00 -1.71 0.00 0.00 66.02 61.73 2rgk s SER 148 CO 0.03 -1.22 1.63 -0.08 1.20 0.00 0.00 173.24 174.79 2rgk h GLU 149 N 10.57 0.78 -0.33 5.44 4.81 -1.91 0.33 114.58 134.27 2rgk h GLU 149 Ca -0.34 -0.31 -0.15 0.00 -0.13 0.00 0.00 59.36 58.44 2rgk h GLU 149 Cb 1.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2rgk h GLU 149 CO 1.00 0.93 -0.38 1.49 -0.73 0.00 0.00 179.01 181.32 2rgk h GLU 150 N 0.68 0.78 0.00 1.92 4.81 -1.95 -3.29 114.58 117.52 2rgk h GLU 150 Ca 0.10 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 2rgk h GLU 150 Cb 0.73 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2rgk h GLU 150 CO 0.06 1.02 -1.39 0.39 -0.73 0.00 0.00 179.01 178.36 2rgk n GLU 151 N -4.05 0.62 -3.66 1.92 1.02 -1.15 -4.97 120.64 110.38 2rgk n GLU 151 Ca -0.02 0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 56.95 2rgk n GLU 151 Cb 0.53 -1.74 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2rgk n GLU 151 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2rgk n GLN 152 N -2.65 -6.91 -3.94 3.49 1.13 0.11 -4.96 117.38 103.66 2rgk n GLN 152 Ca -0.05 0.76 -0.10 0.00 -1.94 0.00 0.00 57.00 55.67 2rgk n GLN 152 Cb 0.66 -5.73 -0.02 0.00 0.11 0.00 0.00 30.24 25.26 2rgk n GLN 152 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2rgk s MET 153 N -6.21 1.92 -0.05 -1.09 -1.94 -1.23 -4.62 119.30 106.09 2rgk s MET 153 Ca 0.46 -1.41 -0.03 0.00 -1.71 0.00 0.00 55.69 53.00 2rgk s MET 153 Cb -0.21 0.54 -0.04 0.00 2.01 0.00 0.00 34.83 37.13 2rgk s MET 153 CO 0.76 -0.85 0.11 0.00 -0.01 0.00 0.00 175.02 175.03 2rgk s LEU 155 N -1.45 3.14 -0.14 0.00 1.43 -0.08 -4.78 118.68 116.81 2rgk s LEU 155 Ca 0.20 1.37 -0.09 0.00 -1.03 0.00 0.00 54.13 54.58 2rgk s LEU 155 Cb -0.12 -4.35 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 2rgk s LEU 155 CO 0.10 -1.02 -0.00 -0.08 0.23 0.00 0.00 176.35 175.58 2rgk h GLU 156 N -0.43 0.00 -2.61 1.70 4.57 -1.85 -3.43 114.58 112.54 2rgk h GLU 156 Ca -0.44 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 57.82 2rgk h GLU 156 Cb 1.21 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.69 2rgk h GLU 156 CO 0.62 0.20 0.37 -1.54 -1.18 0.00 0.00 179.01 177.48 2rgk s SER 157 N -5.85 -0.36 0.21 1.04 1.04 -1.26 0.39 113.70 108.90 2rgk s SER 157 Ca -0.12 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.13 2rgk s SER 157 Cb 0.01 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 2rgk s SER 157 CO 0.23 -0.90 0.05 0.26 0.98 0.00 0.00 173.24 173.86 2rgk s TRP 158 N -3.46 1.32 0.84 5.02 0.52 -0.50 -0.50 118.94 122.19 2rgk s TRP 158 Ca 0.07 -1.11 -0.12 0.00 0.02 0.00 0.00 56.10 54.95 2rgk s TRP 158 Cb -0.02 -0.76 0.10 0.00 -1.15 0.00 0.00 33.47 31.65 2rgk s TRP 158 CO -0.05 -0.30 1.19 0.16 0.02 0.00 0.00 176.95 177.97 2rgk s ASP 159 N -3.22 4.19 0.30 2.95 -4.77 -1.18 -1.83 116.67 113.11 2rgk s ASP 159 Ca 0.30 0.76 0.06 0.00 -3.30 0.00 0.00 52.55 50.37 2rgk s ASP 159 Cb 0.07 -1.21 0.81 0.00 -1.09 0.00 0.00 42.92 41.49 2rgk s ASP 159 CO 0.08 -2.10 1.70 -0.08 0.70 0.00 0.00 175.17 175.47 2rgk h GLU 160 N -1.20 0.44 -0.35 2.11 4.81 -1.90 -1.57 114.58 116.92 2rgk h GLU 160 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2rgk h GLU 160 Cb 1.32 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2rgk h GLU 160 CO 0.62 0.29 0.00 0.00 -0.73 0.00 0.00 179.01 179.19 2rgk n ALA 161 N -2.43 2.47 -3.90 2.92 0.00 -1.26 -4.86 120.51 113.45 2rgk n ALA 161 Ca 0.24 -0.60 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 2rgk n ALA 161 Cb 0.71 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 19.21 2rgk n ALA 161 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2rgk n PHE 162 N 0.48 -2.21 0.54 0.00 3.72 -0.59 -4.88 117.46 114.52 2rgk n PHE 162 Ca 0.11 0.89 0.07 0.00 -0.05 0.00 0.00 57.45 58.47 2rgk n PHE 162 Cb 0.30 -3.99 -0.09 0.00 -0.94 0.00 0.00 39.48 34.76 2rgk n PHE 162 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2rgk n SER 163 N -2.86 0.86 -3.66 4.37 3.41 -1.26 -4.96 113.62 109.53 2rgk n SER 163 Ca -0.01 -0.67 -0.06 0.00 -0.26 0.00 0.00 58.87 57.87 2rgk n SER 163 Cb 0.55 1.13 -0.07 0.00 -0.26 0.00 0.00 64.21 65.56 2rgk n SER 163 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2rgk s LYS 164 N -2.48 0.48 0.15 4.33 2.47 -1.26 -5.06 119.74 118.38 2rgk s LYS 164 Ca 0.03 1.20 -0.11 0.00 -1.56 0.00 0.00 55.97 55.53 2rgk s LYS 164 Cb 0.11 0.48 -0.07 0.00 -1.46 0.00 0.00 37.83 36.89 2rgk s LYS 164 CO 0.59 -0.21 0.50 -0.08 0.16 0.00 0.00 175.35 176.32 2rgk s THR 165 N 2.45 4.95 0.23 3.43 -1.32 -1.26 -3.08 115.64 121.04 2rgk s THR 165 Ca -0.05 0.59 -0.30 0.00 -1.21 0.00 0.00 61.69 60.71 2rgk s THR 165 Cb -0.11 -3.67 -0.10 0.00 -1.51 0.00 0.00 72.50 67.11 2rgk s THR 165 CO -0.16 0.15 1.47 -0.70 -2.21 0.00 0.00 174.62 173.17 2rgk s GLU 166 N -2.23 4.25 -1.40 7.08 2.12 0.35 -4.87 118.70 124.00 2rgk s GLU 166 Ca 0.40 2.31 -0.11 0.00 0.36 0.00 0.00 54.97 57.93 2rgk s GLU 166 Cb -0.13 -3.12 -0.06 0.00 0.26 0.00 0.00 34.13 31.08 2rgk s GLU 166 CO 0.20 -0.46 2.57 0.39 -0.54 0.00 0.00 175.26 177.42 2rgk n GLU 167 N 2.68 3.06 -3.61 4.30 1.02 -1.26 -4.74 120.64 122.09 2rgk n GLU 167 Ca 0.08 -2.12 -0.15 0.00 -0.02 0.00 0.00 57.16 54.95 2rgk n GLU 167 Cb 0.40 -2.85 -0.07 0.00 -0.02 0.00 0.00 31.44 28.90 2rgk n GLU 167 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2rgk s TYR 168 N 2.83 -0.63 -0.04 -0.32 5.04 -1.26 -4.34 117.35 118.62 2rgk s TYR 168 Ca 0.58 1.34 0.03 0.00 -2.44 0.00 0.00 57.07 56.59 2rgk s TYR 168 Cb 0.15 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.76 2rgk s TYR 168 CO -0.05 -0.45 -0.13 1.03 -1.34 0.00 0.00 175.55 174.62 2rgk s ARG 169 N -0.42 1.44 0.15 4.97 1.81 -0.29 -4.07 118.95 122.55 2rgk s ARG 169 Ca -0.06 -0.44 0.05 0.00 -1.72 0.00 0.00 55.73 53.57 2rgk s ARG 169 Cb -0.03 -1.26 -0.04 0.00 -0.45 0.00 0.00 34.95 33.17 2rgk s ARG 169 CO 0.05 0.13 -0.11 0.20 -0.68 0.00 0.00 175.30 174.89 2rgk s GLY 170 N 0.28 1.12 0.04 -3.53 0.00 -1.26 -0.54 107.32 103.43 2rgk s GLY 170 Ca -0.07 -1.50 -0.18 0.00 0.00 0.00 0.00 44.72 42.97 2rgk s GLY 170 CO 0.02 -1.60 1.22 -1.33 0.00 0.00 0.00 173.10 171.41 2rgk h GLY 171 N 2.81 0.53 0.51 0.20 0.00 -1.42 -3.24 103.07 102.46 2rgk h GLY 171 Ca -0.37 -0.75 0.08 0.00 0.00 0.00 0.00 47.33 46.29 2rgk h GLY 171 CO 0.62 0.67 0.24 -0.57 0.00 0.00 0.00 176.54 177.50 2rgk h ASN 172 N 0.06 0.28 -0.29 0.19 -0.73 -1.96 0.15 115.58 113.28 2rgk h ASN 172 Ca -0.03 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2rgk h ASN 172 Cb 1.11 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.70 2rgk h ASN 172 CO 0.10 0.18 0.18 0.00 -0.37 0.00 0.00 177.43 177.52 2rgk h ALA 173 N 1.37 0.37 0.00 1.57 0.00 -1.96 -1.80 119.26 118.81 2rgk h ALA 173 Ca 0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2rgk h ALA 173 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2rgk h ALA 173 CO -0.25 -0.14 -0.29 -0.91 0.00 0.00 0.00 179.25 177.66 2rgk h ASN 174 N 0.38 0.00 -0.04 0.00 4.21 -1.41 -2.09 115.58 116.64 2rgk h ASN 174 Ca 0.11 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.56 2rgk h ASN 174 Cb -0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 2rgk h ASN 174 CO -0.02 0.29 -0.18 -0.03 -1.29 0.00 0.00 177.43 176.20 2rgk h MET 175 N 0.00 0.18 0.00 0.81 4.05 -0.35 -2.04 114.93 117.59 2rgk h MET 175 Ca -0.00 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 2rgk h MET 175 Cb 0.65 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2rgk h MET 175 CO 0.04 0.81 -0.07 0.45 0.23 0.00 0.00 176.91 178.36 2rgk h HIS 176 N -0.39 0.00 -0.15 1.39 3.86 -1.27 0.64 115.15 119.23 2rgk h HIS 176 Ca -0.01 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 2rgk h HIS 176 Cb 0.84 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 2rgk h HIS 176 CO 0.15 0.07 -0.10 0.00 0.86 0.00 0.00 177.93 178.91 2rgk h ALA 177 N 1.93 0.21 -0.58 2.45 0.00 -1.25 -0.48 119.26 121.54 2rgk h ALA 177 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2rgk h ALA 177 Cb 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2rgk h ALA 177 CO 0.01 0.04 0.37 0.28 0.00 0.00 0.00 179.25 179.95 2rgk h VAL 178 N -0.02 1.11 -0.38 0.00 2.07 -0.38 0.27 116.25 118.92 2rgk h VAL 178 Ca 0.03 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2rgk h VAL 178 Cb 0.59 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2rgk h VAL 178 CO 0.03 0.13 0.18 -0.08 0.02 0.00 0.00 177.57 177.85 2rgk h GLU 179 N 0.74 0.37 -0.25 1.57 4.81 -0.81 -1.81 114.58 119.19 2rgk h GLU 179 Ca 0.22 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2rgk h GLU 179 Cb -0.03 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2rgk h GLU 179 CO -0.07 0.24 -0.36 0.00 -0.73 0.00 0.00 179.01 178.09 2rgk h ALA 180 N 1.21 0.91 -0.71 2.92 0.00 -0.59 -3.14 119.26 119.86 2rgk h ALA 180 Ca 0.16 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2rgk h ALA 180 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2rgk h ALA 180 CO -0.12 0.63 0.27 0.74 0.00 0.00 0.00 179.25 180.77 2rgk h PHE 181 N 0.46 1.09 -0.41 0.00 0.04 -0.04 -0.80 116.94 117.27 2rgk h PHE 181 Ca 0.05 -0.09 0.07 0.00 2.80 0.00 0.00 57.97 60.80 2rgk h PHE 181 Cb 0.84 -0.32 -0.06 0.00 2.20 0.00 0.00 35.95 38.60 2rgk h PHE 181 CO 0.03 0.85 0.02 -0.07 -0.60 0.00 0.00 178.31 178.54 2rgk h LEU 182 N 1.02 -0.12 -0.27 1.54 3.38 -1.29 0.22 115.31 119.79 2rgk h LEU 182 Ca 0.24 0.09 -0.16 0.00 0.09 0.00 0.00 57.88 58.14 2rgk h LEU 182 Cb 0.22 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2rgk h LEU 182 CO -0.02 -0.03 -0.45 0.40 0.09 0.00 0.00 178.44 178.43 2rgk h ILE 183 N 0.13 1.29 -0.96 1.22 1.08 -1.55 -1.52 117.51 117.21 2rgk h ILE 183 Ca 0.20 -1.65 0.04 0.00 -0.39 0.00 0.00 64.86 63.06 2rgk h ILE 183 Cb 0.28 1.68 -0.06 0.00 -3.07 0.00 0.00 36.82 35.66 2rgk h ILE 183 CO -0.32 0.53 0.63 0.58 -0.69 0.00 0.00 178.15 178.88 2rgk h VAL 184 N 0.53 1.16 -0.25 1.67 2.07 -0.78 -0.38 116.25 120.27 2rgk h VAL 184 Ca 0.02 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 2rgk h VAL 184 Cb 1.05 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2rgk h VAL 184 CO 0.10 0.22 -0.17 0.22 0.02 0.00 0.00 177.57 177.97 2rgk h TYR 185 N 1.21 0.47 0.00 1.57 3.20 -0.38 -2.61 116.97 120.44 2rgk h TYR 185 Ca 0.38 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 62.07 2rgk h TYR 185 Cb 0.01 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2rgk h TYR 185 CO -0.00 0.59 -0.52 -0.44 -1.64 0.00 0.00 178.16 176.15 2rgk h ASP 186 N 0.40 0.00 -0.53 -2.11 3.32 -0.03 0.11 116.42 117.59 2rgk h ASP 186 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2rgk h ASP 186 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2rgk h ASP 186 CO 0.03 0.52 0.00 1.33 -1.72 0.00 0.00 179.24 179.40 2rgk n VAL 187 N -3.86 2.23 0.00 -1.35 0.24 -0.75 -4.57 118.33 110.27 2rgk n VAL 187 Ca -0.01 -1.40 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 2rgk n VAL 187 Cb 0.54 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 2rgk n VAL 187 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2rgk n THR 188 N 0.58 0.00 -3.42 3.34 -2.24 -1.01 -5.04 114.28 106.50 2rgk n THR 188 Ca 0.25 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.83 2rgk n THR 188 Cb 0.98 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.28 2rgk n THR 188 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2rgk n HIS 189 N -1.37 -2.41 -3.33 4.78 8.25 0.39 -4.96 115.22 116.58 2rgk n HIS 189 Ca 0.00 0.87 -0.46 0.00 -0.26 0.00 0.00 57.72 57.87 2rgk n HIS 189 Cb 0.00 -4.49 -0.06 0.00 1.12 0.00 0.00 29.99 26.56 2rgk n HIS 189 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2rgk s ASP 190 N -3.39 6.18 0.25 0.41 -1.08 -1.26 -4.96 116.67 112.82 2rgk s ASP 190 Ca 0.44 -1.69 0.11 0.00 -0.52 0.00 0.00 52.55 50.88 2rgk s ASP 190 Cb -0.19 -2.20 0.84 0.00 -1.46 0.00 0.00 42.92 39.90 2rgk s ASP 190 CO 0.63 -0.81 1.14 1.17 0.52 0.00 0.00 175.17 177.82 2rgk n LYS 191 N 5.24 -0.05 -0.27 4.34 4.81 -1.26 -1.65 118.16 129.32 2rgk n LYS 191 Ca -0.14 1.03 0.20 0.00 -0.87 0.00 0.00 58.31 58.54 2rgk n LYS 191 Cb 0.41 -1.78 0.51 0.00 0.02 0.00 0.00 35.03 34.19 2rgk n LYS 191 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 2rgk h LYS 192 N 0.00 0.39 -0.57 1.64 2.10 -1.98 -1.38 116.57 116.77 2rgk h LYS 192 Ca 0.56 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 59.10 2rgk h LYS 192 Cb 1.40 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 32.61 2rgk h LYS 192 CO -0.60 0.26 0.02 -1.49 -2.00 0.00 0.00 179.45 175.64 2rgk h TRP 193 N 0.41 1.04 0.00 0.07 4.06 -1.66 0.84 115.95 120.71 2rgk h TRP 193 Ca 0.51 -0.16 -0.19 0.00 2.06 0.00 0.00 58.89 61.11 2rgk h TRP 193 Cb 1.28 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 2rgk h TRP 193 CO -0.00 0.92 -0.86 1.25 -3.56 0.00 0.00 178.44 176.19 2rgk h LEU 194 N 0.90 0.19 -0.53 -4.49 5.85 -1.47 -2.37 115.31 113.39 2rgk h LEU 194 Ca 0.17 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2rgk h LEU 194 Cb 0.50 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2rgk h LEU 194 CO 0.02 0.96 0.09 0.44 -0.34 0.00 0.00 178.44 179.61 2rgk h ASP 195 N 0.08 0.83 -0.71 1.25 3.32 -0.99 -0.71 116.42 119.49 2rgk h ASP 195 Ca -0.03 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 2rgk h ASP 195 Cb 1.49 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 2rgk h ASP 195 CO 0.13 0.88 0.27 0.03 -1.72 0.00 0.00 179.24 178.82 2rgk h ARG 196 N 0.75 1.07 -0.20 3.56 3.08 -0.80 0.13 114.38 121.97 2rgk h ARG 196 Ca 0.16 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.02 2rgk h ARG 196 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2rgk h ARG 196 CO 0.01 0.89 0.10 0.00 -1.07 0.00 0.00 179.97 179.90 2rgk h ALA 197 N 1.12 0.24 -0.03 0.04 0.00 -1.10 0.89 119.26 120.43 2rgk h ALA 197 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2rgk h ALA 197 Cb 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2rgk h ALA 197 CO -0.02 -0.31 -0.05 0.82 0.00 0.00 0.00 179.25 179.69 2rgk h ILE 198 N 0.22 0.86 0.05 0.00 1.08 -0.73 -1.57 117.51 117.42 2rgk h ILE 198 Ca 0.08 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.58 2rgk h ILE 198 Cb 0.01 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.57 2rgk h ILE 198 CO -0.05 0.00 -0.38 -0.09 -0.69 0.00 0.00 178.15 176.93 2rgk h ARG 199 N -0.08 -0.55 -0.62 2.37 9.65 -0.38 0.80 114.38 125.57 2rgk h ARG 199 Ca 0.03 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 59.03 2rgk h ARG 199 Cb 0.12 0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.76 2rgk h ARG 199 CO -0.07 -0.37 0.27 0.28 2.80 0.00 0.00 179.97 182.88 2rgk h VAL 200 N -0.57 0.83 -0.31 0.20 2.07 -0.67 -2.06 116.25 115.74 2rgk h VAL 200 Ca 0.04 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 2rgk h VAL 200 Cb 0.63 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2rgk h VAL 200 CO -0.27 0.09 -0.27 0.00 0.02 0.00 0.00 177.57 177.15 2rgk h ALA 201 N 1.40 0.97 -0.07 1.67 0.00 -0.92 -1.98 119.26 120.32 2rgk h ALA 201 Ca 0.31 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2rgk h ALA 201 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rgk h ALA 201 CO -0.27 0.60 -0.27 0.66 0.00 0.00 0.00 179.25 179.97 2rgk h SER 202 N 0.53 0.13 0.06 0.00 4.64 -0.16 0.49 113.55 119.24 2rgk h SER 202 Ca 0.07 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2rgk h SER 202 Cb 0.74 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2rgk h SER 202 CO 0.06 0.41 -0.03 0.58 -0.87 0.00 0.00 176.83 176.97 2rgk h VAL 203 N 0.12 0.00 -0.66 0.95 2.07 -1.26 -0.47 116.25 116.99 2rgk h VAL 203 Ca 0.02 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2rgk h VAL 203 Cb 0.55 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2rgk h VAL 203 CO 0.04 0.00 0.31 0.40 0.02 0.00 0.00 177.57 178.34 2rgk h ILE 204 N -0.50 1.22 0.00 4.57 2.04 -1.43 -2.71 117.51 120.69 2rgk h ILE 204 Ca -0.01 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2rgk h ILE 204 Cb 0.07 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2rgk h ILE 204 CO 0.01 0.26 -0.93 -0.38 0.00 0.00 0.00 178.15 177.11 2rgk n ILE 205 N -4.34 1.41 -0.05 -0.67 2.08 0.12 -2.65 119.36 115.27 2rgk n ILE 205 Ca 0.06 0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.54 2rgk n ILE 205 Cb 0.14 -2.29 0.30 0.00 -0.75 0.00 0.00 39.64 37.04 2rgk n ILE 205 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 2rgk h HIS 206 N -0.93 0.63 0.02 1.39 2.76 -1.36 -0.01 115.15 117.66 2rgk h HIS 206 Ca 0.00 -0.04 -0.23 0.00 -2.20 0.00 0.00 60.37 57.90 2rgk h HIS 206 Cb 0.93 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 2rgk h HIS 206 CO -0.40 0.53 -1.24 -0.44 -1.30 0.00 0.00 177.93 175.08 2rgk h ASP 207 N 0.62 0.08 0.00 3.26 3.45 -1.06 -3.39 116.42 119.38 2rgk h ASP 207 Ca 0.15 -0.63 0.00 0.00 0.43 0.00 0.00 57.03 56.98 2rgk h ASP 207 Cb 0.19 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 2rgk h ASP 207 CO -0.01 1.50 -0.03 0.58 -1.57 0.00 0.00 179.24 179.71 2rgk h VAL 208 N -0.82 0.00 -0.56 -1.35 2.07 -1.55 -3.35 116.25 110.69 2rgk h VAL 208 Ca -0.32 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.21 2rgk h VAL 208 Cb 1.40 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 2rgk h VAL 208 CO -0.14 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.50 2rgk h ALA 209 N -1.90 0.59 -1.00 1.67 0.00 -1.23 -1.05 119.26 116.34 2rgk h ALA 209 Ca 0.00 0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.25 2rgk h ALA 209 Cb 0.03 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2rgk h ALA 209 CO 0.00 -0.36 0.61 -0.09 0.00 0.00 0.00 179.25 179.41 2rgk h ARG 210 N 0.16 0.73 -0.62 0.00 2.43 -1.21 0.47 114.38 116.34 2rgk h ARG 210 Ca 0.29 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2rgk h ARG 210 Cb 0.45 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2rgk h ARG 210 CO -0.44 0.48 0.00 0.09 -1.51 0.00 0.00 179.97 178.59 2rgk n ASN 211 N -4.76 3.24 -2.62 -3.80 3.02 -0.44 -4.01 115.26 105.90 2rgk n ASN 211 Ca 0.23 -2.33 -0.09 0.00 -0.03 0.00 0.00 54.58 52.37 2rgk n ASN 211 Cb 0.58 -0.48 0.04 0.00 -0.61 0.00 0.00 39.78 39.30 2rgk n ASN 211 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2rgk n ASN 212 N 0.56 2.43 -2.95 6.41 5.15 0.14 -4.94 115.26 122.06 2rgk n ASN 212 Ca 0.16 -2.63 -0.21 0.00 -0.60 0.00 0.00 54.58 51.30 2rgk n ASN 212 Cb 0.64 -0.46 0.01 0.00 -0.53 0.00 0.00 39.78 39.44 2rgk n ASN 212 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2rgk n HIS 213 N -0.50 -1.71 -2.54 1.20 8.25 -1.19 -1.02 115.22 117.71 2rgk n HIS 213 Ca 0.17 0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 57.80 2rgk n HIS 213 Cb 0.83 -3.72 -0.00 0.00 1.12 0.00 0.00 29.99 28.21 2rgk n HIS 213 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2rgk n TYR 214 N -4.11 -1.26 -3.68 4.41 4.02 0.24 -4.83 117.16 111.95 2rgk n TYR 214 Ca -0.11 0.10 -0.38 0.00 -0.01 0.00 0.00 57.90 57.50 2rgk n TYR 214 Cb 0.61 -3.78 -0.12 0.00 -0.02 0.00 0.00 39.34 36.03 2rgk n TYR 214 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2rgk s ARG 215 N -5.18 3.48 0.15 -0.72 0.52 -0.18 -4.66 118.95 112.35 2rgk s ARG 215 Ca 0.06 -0.62 -0.31 0.00 -0.52 0.00 0.00 55.73 54.34 2rgk s ARG 215 Cb -0.03 -3.50 -0.08 0.00 0.52 0.00 0.00 34.95 31.85 2rgk s ARG 215 CO 0.07 -0.33 1.38 0.08 0.02 0.00 0.00 175.30 176.52 2rgk s VAL 216 N 1.63 3.19 -0.30 3.52 1.01 -1.26 -4.48 120.40 123.71 2rgk s VAL 216 Ca 0.05 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.75 2rgk s VAL 216 Cb -0.16 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2rgk s VAL 216 CO 0.06 0.09 0.51 0.21 0.00 0.00 0.00 175.10 175.97 2rgk s ASN 217 N 0.86 6.38 -0.10 3.32 3.84 -1.26 -4.46 114.94 123.52 2rgk s ASN 217 Ca 0.62 0.29 -0.27 0.00 0.21 0.00 0.00 52.86 53.72 2rgk s ASN 217 Cb -0.37 -2.27 -0.23 0.00 -0.55 0.00 0.00 41.25 37.82 2rgk s ASN 217 CO 0.33 -0.37 0.88 -0.33 -2.79 0.00 0.00 177.10 174.83 2rgk h GLU 218 N 8.21 -0.01 -6.00 0.43 4.39 -1.95 -3.42 114.58 116.23 2rgk h GLU 218 Ca -0.29 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.85 2rgk h GLU 218 Cb 1.13 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.73 2rgk h GLU 218 CO 0.74 0.80 0.00 -1.01 -1.16 0.00 0.00 179.01 178.38 2rgk s HIS 219 N -2.79 3.61 0.05 4.33 0.09 -1.26 -1.21 115.29 118.10 2rgk s HIS 219 Ca -0.17 1.16 0.00 0.00 -0.00 0.00 0.00 55.06 56.05 2rgk s HIS 219 Cb -0.02 -2.67 -0.03 0.00 -0.00 0.00 0.00 32.58 29.86 2rgk s HIS 219 CO 0.65 0.22 -0.04 -0.06 -0.00 0.00 0.00 174.74 175.51 2rgk s PHE 220 N 0.33 0.51 0.48 1.40 0.40 0.30 -0.46 117.98 120.94 2rgk s PHE 220 Ca 0.32 -0.77 -0.03 0.00 -0.60 0.00 0.00 56.93 55.86 2rgk s PHE 220 Cb -0.17 -0.34 0.10 0.00 0.51 0.00 0.00 43.02 43.12 2rgk s PHE 220 CO 0.16 -0.23 0.66 -0.40 0.70 0.00 0.00 175.22 176.11 2rgk n ASP 221 N 0.82 0.57 0.01 1.36 3.85 -0.54 -1.14 116.55 121.48 2rgk n ASP 221 Ca -0.19 -1.56 0.18 0.00 -0.71 0.00 0.00 54.79 52.52 2rgk n ASP 221 Cb 0.58 -0.46 0.66 0.00 -1.35 0.00 0.00 41.12 40.55 2rgk n ASP 221 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 2rgk h THR 222 N -0.82 0.77 -0.53 2.12 2.02 -1.90 -0.76 112.91 113.82 2rgk h THR 222 Ca -0.22 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2rgk h THR 222 Cb 0.73 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2rgk h THR 222 CO 0.20 0.01 0.00 0.00 0.37 0.00 0.00 175.52 176.10 2rgk n GLN 223 N -4.40 4.30 -2.20 6.66 6.02 -1.26 -4.91 117.38 121.59 2rgk n GLN 223 Ca 0.09 -2.76 -0.16 0.00 -0.01 0.00 0.00 57.00 54.15 2rgk n GLN 223 Cb 0.55 -2.12 -0.02 0.00 1.02 0.00 0.00 30.24 29.67 2rgk n GLN 223 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2rgk n TRP 224 N 0.64 -0.68 -2.82 1.08 7.02 -0.29 -4.99 117.44 117.41 2rgk n TRP 224 Ca 0.24 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.31 2rgk n TRP 224 Cb 1.05 -3.28 -0.04 0.00 -2.42 0.00 0.00 31.31 26.62 2rgk n TRP 224 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2rgk s ASN 225 N -2.33 7.28 0.53 -0.99 0.01 -1.26 -4.80 114.94 113.37 2rgk s ASN 225 Ca 0.00 1.54 -0.22 0.00 -0.71 0.00 0.00 52.86 53.47 2rgk s ASN 225 Cb 0.00 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 2rgk s ASN 225 CO 0.00 -0.18 1.28 -2.84 -1.51 0.00 0.00 177.10 173.86 2rgk s PRO 226 N 0.75 3.29 -0.60 -0.60 0.02 -1.26 -1.47 135.00 135.12 2rgk s PRO 226 Ca 0.47 2.05 0.06 0.00 0.02 0.00 0.00 61.00 63.60 2rgk s PRO 226 Cb -0.20 -2.26 0.27 0.00 0.02 0.00 0.00 34.50 32.32 2rgk s PRO 226 CO 0.25 -1.01 0.76 1.28 -0.33 0.00 0.00 177.00 177.95 2rgk n LEU 227 N -0.95 3.55 0.33 -5.54 4.77 0.40 -4.84 117.00 114.73 2rgk n LEU 227 Ca 0.10 -5.42 0.18 0.00 -0.03 0.00 0.00 56.01 50.84 2rgk n LEU 227 Cb 0.46 -0.52 0.98 0.00 -2.33 0.00 0.00 43.42 42.01 2rgk n LEU 227 CO 0.50 2.12 1.14 1.55 -1.33 0.00 0.00 177.39 181.37 2rgk h PRO 228 N 3.94 0.00 -0.67 3.23 0.13 -1.93 -1.04 132.00 135.66 2rgk h PRO 228 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2rgk h PRO 228 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2rgk h PRO 228 CO 0.80 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.32 2rgk n ASP 229 N -2.94 3.81 -4.68 1.44 10.43 -1.26 -4.60 116.55 118.74 2rgk n ASP 229 Ca -0.02 -2.00 -0.46 0.00 2.57 0.00 0.00 54.79 54.87 2rgk n ASP 229 Cb 0.25 -0.45 -0.04 0.00 1.84 0.00 0.00 41.12 42.72 2rgk n ASP 229 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2rgk n TYR 230 N 1.60 2.37 -1.88 1.24 9.36 -0.39 -1.18 117.16 128.27 2rgk n TYR 230 Ca 0.23 0.02 -0.20 0.00 3.32 0.00 0.00 57.90 61.27 2rgk n TYR 230 Cb 0.61 -2.65 -0.06 0.00 -0.63 0.00 0.00 39.34 36.61 2rgk n TYR 230 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2rgk n ASN 231 N 5.71 -5.54 0.25 2.98 5.03 -1.26 -4.17 115.26 118.25 2rgk n ASN 231 Ca 0.20 0.31 0.17 0.00 0.87 0.00 0.00 54.58 56.13 2rgk n ASN 231 Cb 0.31 -4.72 0.71 0.00 -1.02 0.00 0.00 39.78 35.06 2rgk n ASN 231 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2rgk h LYS 232 N 0.00 0.00 -0.07 3.52 3.64 -1.49 -2.38 116.57 119.79 2rgk h LYS 232 Ca -0.44 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.80 2rgk h LYS 232 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 2rgk h LYS 232 CO 0.59 0.00 -0.58 -0.44 -2.27 0.00 0.00 179.45 176.75 2rgk h ASP 233 N 0.00 0.25 -2.07 4.20 5.19 -1.89 -3.34 116.42 118.76 2rgk h ASP 233 Ca 0.00 -0.14 -0.57 0.00 -0.62 0.00 0.00 57.03 55.71 2rgk h ASP 233 Cb 0.40 -0.07 -0.40 0.00 0.18 0.00 0.00 39.33 39.44 2rgk h ASP 233 CO 0.00 0.77 -0.94 0.59 -3.12 0.00 0.00 179.24 176.55 2rgk n ASN 234 N -3.89 1.50 -0.19 6.45 3.02 -0.91 -4.97 115.26 116.27 2rgk n ASN 234 Ca -0.02 -2.99 0.27 0.00 -0.03 0.00 0.00 54.58 51.82 2rgk n ASN 234 Cb 0.60 -0.65 0.70 0.00 -0.61 0.00 0.00 39.78 39.82 2rgk n ASN 234 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2rgk h PRO 235 N 3.95 0.05 0.00 3.52 0.11 -1.64 -1.52 132.00 136.47 2rgk h PRO 235 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2rgk h PRO 235 Cb 0.80 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2rgk h PRO 235 CO 0.59 0.03 -0.05 0.00 -0.21 0.00 0.00 178.00 178.36 2rgk h ALA 236 N 1.56 0.97 -2.51 -0.75 0.00 -1.93 -3.35 119.26 113.24 2rgk h ALA 236 Ca 0.43 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.82 2rgk h ALA 236 Cb 1.65 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.48 2rgk h ALA 236 CO -0.03 0.00 1.10 -1.01 0.00 0.00 0.00 179.25 179.31 2rgk s HIS 237 N -3.12 2.18 0.15 0.00 3.76 -0.57 -4.91 115.29 112.78 2rgk s HIS 237 Ca 0.10 0.01 -0.12 0.00 -0.15 0.00 0.00 55.06 54.91 2rgk s HIS 237 Cb 0.11 -4.16 0.02 0.00 1.11 0.00 0.00 32.58 29.67 2rgk s HIS 237 CO 0.62 -4.77 1.60 0.00 -0.85 0.00 0.00 174.74 171.33 2rgk h ARG 238 N 8.55 0.92 -6.25 1.40 2.47 -1.89 -3.29 114.38 116.29 2rgk h ARG 238 Ca -0.46 -0.31 -0.56 0.00 -1.26 0.00 0.00 59.98 57.39 2rgk h ARG 238 Cb 1.22 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.44 2rgk h ARG 238 CO 0.95 0.96 1.06 0.12 0.56 0.00 0.00 179.97 183.62 2rgk s PHE 239 N -4.96 2.23 -1.32 3.04 5.36 -1.26 -2.56 117.98 118.51 2rgk s PHE 239 Ca -0.12 0.51 -0.00 0.00 -0.96 0.00 0.00 56.93 56.36 2rgk s PHE 239 Cb 0.12 -3.85 -0.00 0.00 -0.34 0.00 0.00 43.02 38.95 2rgk s PHE 239 CO 0.84 -3.01 0.65 0.54 -1.46 0.00 0.00 175.22 172.78 2rgk n ARG 240 N 7.21 -4.64 -1.52 10.12 1.74 -1.26 -4.86 116.66 123.45 2rgk n ARG 240 Ca 0.17 0.58 -0.39 0.00 -0.77 0.00 0.00 57.85 57.45 2rgk n ARG 240 Cb 0.44 -5.07 0.04 0.00 -1.02 0.00 0.00 32.46 26.85 2rgk n ARG 240 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rgk n ALA 241 N -4.29 -0.73 -1.57 7.54 0.00 -1.06 -4.76 120.51 115.65 2rgk n ALA 241 Ca -0.30 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 2rgk n ALA 241 Cb 0.68 -1.92 0.03 0.00 0.00 0.00 0.00 19.45 18.25 2rgk n ALA 241 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2rgk s PHE 242 N -1.60 2.76 0.00 0.00 2.19 -1.26 -4.86 117.98 115.20 2rgk s PHE 242 Ca 0.69 1.53 0.00 0.00 0.33 0.00 0.00 56.93 59.49 2rgk s PHE 242 Cb -0.46 -3.11 0.00 0.00 -1.31 0.00 0.00 43.02 38.14 2rgk s PHE 242 CO 0.53 -1.48 0.00 0.41 1.83 0.00 0.00 175.22 176.51 2rgk n GLY 243 N -0.72 -1.59 3.89 13.12 0.00 -1.26 -4.72 105.19 113.91 2rgk n GLY 243 Ca 0.10 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 2rgk n GLY 243 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rgk s GLY 244 N -0.23 1.73 -0.47 -0.02 0.00 -0.63 -4.59 107.32 103.12 2rgk s GLY 244 Ca 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.63 2rgk s GLY 244 CO 0.00 -1.10 0.23 -1.59 0.00 0.00 0.00 173.10 170.65 2rgk s THR 245 N -1.73 2.94 0.34 0.90 2.01 -1.26 -1.68 115.64 117.16 2rgk s THR 245 Ca 0.33 -2.66 0.13 0.00 0.31 0.00 0.00 61.69 59.80 2rgk s THR 245 Cb -0.11 -3.03 0.36 0.00 0.01 0.00 0.00 72.50 69.74 2rgk s THR 245 CO 0.26 -0.74 1.59 -0.65 -0.69 0.00 0.00 174.62 174.40 2rgk h PRO 246 N 7.31 0.06 -0.71 4.92 0.11 -1.84 0.35 132.00 142.20 2rgk h PRO 246 Ca -0.07 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.18 2rgk h PRO 246 Cb 0.98 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 31.98 2rgk h PRO 246 CO 0.65 0.04 0.24 0.78 -0.21 0.00 0.00 178.00 179.50 2rgk h GLY 247 N 0.06 1.03 1.14 -0.55 0.00 -1.84 -0.39 103.07 102.52 2rgk h GLY 247 Ca 0.73 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.83 2rgk h GLY 247 CO -0.79 -0.12 -0.26 0.45 0.00 0.00 0.00 176.54 175.82 2rgk h HIS 248 N 0.37 1.12 -0.41 5.60 3.86 -0.68 -2.31 115.15 122.70 2rgk h HIS 248 Ca 0.39 -0.29 0.08 0.00 -1.16 0.00 0.00 60.37 59.40 2rgk h HIS 248 Cb 0.60 -0.25 -0.08 0.00 1.06 0.00 0.00 27.41 28.73 2rgk h HIS 248 CO -0.20 1.11 -0.15 -1.49 0.86 0.00 0.00 177.93 178.06 2rgk h TRP 249 N 0.82 -0.35 0.00 2.45 6.55 -0.72 -0.37 115.95 124.33 2rgk h TRP 249 Ca 0.10 0.04 -0.10 0.00 0.95 0.00 0.00 58.89 59.88 2rgk h TRP 249 Cb 0.84 0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 29.35 2rgk h TRP 249 CO 0.05 -0.23 -0.46 0.97 -1.05 0.00 0.00 178.44 177.72 2rgk h ILE 250 N -0.06 1.29 -0.18 1.49 2.10 -1.20 -2.48 117.51 118.47 2rgk h ILE 250 Ca 0.20 -1.60 -0.04 0.00 1.08 0.00 0.00 64.86 64.50 2rgk h ILE 250 Cb 0.37 1.87 -0.01 0.00 -1.09 0.00 0.00 36.82 37.96 2rgk h ILE 250 CO -0.45 0.45 -0.04 -0.33 -1.08 0.00 0.00 178.15 176.69 2rgk h GLU 251 N 0.00 0.35 -0.82 2.19 5.08 -0.71 -2.55 114.58 118.11 2rgk h GLU 251 Ca -0.00 -0.13 0.14 0.00 -1.00 0.00 0.00 59.36 58.36 2rgk h GLU 251 Cb 0.84 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.97 2rgk h GLU 251 CO 0.06 0.61 0.41 -1.49 -1.00 0.00 0.00 179.01 177.60 2rgk h TRP 252 N 0.06 0.71 -0.22 4.33 4.06 -0.88 0.03 115.95 124.04 2rgk h TRP 252 Ca 0.05 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.06 2rgk h TRP 252 Cb 0.48 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.42 2rgk h TRP 252 CO 0.05 0.16 0.03 0.78 -3.56 0.00 0.00 178.44 175.90 2rgk h GLY 253 N 0.59 0.23 0.95 1.49 0.00 -1.19 -0.85 103.07 104.29 2rgk h GLY 253 Ca 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 2rgk h GLY 253 CO -0.36 -0.02 0.18 -0.09 0.00 0.00 0.00 176.54 176.25 2rgk h ARG 254 N 0.11 0.57 -0.78 4.80 2.43 -0.82 -2.69 114.38 118.01 2rgk h ARG 254 Ca 0.10 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2rgk h ARG 254 Cb 0.11 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2rgk h ARG 254 CO -0.14 0.51 0.52 -0.07 -1.51 0.00 0.00 179.97 179.28 2rgk h LEU 255 N 0.49 0.87 -1.46 3.80 3.38 -0.72 -0.85 115.31 120.83 2rgk h LEU 255 Ca 0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2rgk h LEU 255 Cb 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2rgk h LEU 255 CO -0.02 0.62 -0.28 0.24 0.09 0.00 0.00 178.44 179.10 2rgk h MET 256 N 1.02 0.00 0.01 1.13 2.86 -0.86 -2.08 114.93 117.01 2rgk h MET 256 Ca 0.30 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.74 2rgk h MET 256 Cb -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2rgk h MET 256 CO -0.08 0.28 -0.91 -0.07 1.06 0.00 0.00 176.91 177.19 2rgk h LEU 257 N 0.00 0.08 -1.43 1.22 3.38 -0.88 -1.65 115.31 116.03 2rgk h LEU 257 Ca -0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2rgk h LEU 257 Cb 0.51 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2rgk h LEU 257 CO 0.04 0.95 -0.07 0.45 0.09 0.00 0.00 178.44 179.90 2rgk h HIS 258 N 0.03 0.30 -0.29 1.13 3.86 -0.64 0.15 115.15 119.68 2rgk h HIS 258 Ca -0.03 -0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.00 2rgk h HIS 258 Cb 1.59 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.97 2rgk h HIS 258 CO 0.01 0.37 -0.44 0.82 0.86 0.00 0.00 177.93 179.54 2rgk h ILE 259 N 0.28 1.29 0.01 2.45 2.04 -1.20 -1.61 117.51 120.76 2rgk h ILE 259 Ca 0.06 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.31 2rgk h ILE 259 Cb 0.31 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2rgk h ILE 259 CO 0.01 0.53 -0.10 -0.74 0.00 0.00 0.00 178.15 177.85 2rgk h HIS 260 N 0.59 -0.25 -0.69 1.37 2.76 -0.38 -1.36 115.15 117.19 2rgk h HIS 260 Ca 0.03 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2rgk h HIS 260 Cb 1.04 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 30.08 2rgk h HIS 260 CO 0.07 -0.15 0.40 0.00 -1.30 0.00 0.00 177.93 176.95 2rgk h ALA 261 N 0.79 0.88 -0.02 5.26 0.00 -0.68 -2.12 119.26 123.38 2rgk h ALA 261 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2rgk h ALA 261 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2rgk h ALA 261 CO -0.09 0.38 -0.02 0.00 0.00 0.00 0.00 179.25 179.52 2rgk h ALA 262 N 1.20 -0.00 -0.83 0.00 0.00 -1.02 0.90 119.26 119.51 2rgk h ALA 262 Ca 0.25 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.29 2rgk h ALA 262 Cb 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 2rgk h ALA 262 CO -0.04 -0.51 0.44 -0.07 0.00 0.00 0.00 179.25 179.07 2rgk h LEU 263 N -0.03 0.57 -0.46 0.00 3.38 -0.98 -1.45 115.31 116.35 2rgk h LEU 263 Ca 0.01 0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 2rgk h LEU 263 Cb 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2rgk h LEU 263 CO -0.03 0.28 -0.66 -0.33 0.09 0.00 0.00 178.44 177.80 2rgk h GLU 264 N 0.68 0.46 0.00 1.13 5.08 -0.93 -1.50 114.58 119.49 2rgk h GLU 264 Ca 0.43 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2rgk h GLU 264 Cb 0.52 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2rgk h GLU 264 CO -0.31 0.96 0.10 0.00 -1.00 0.00 0.00 179.01 178.75 2rgk h ALA 265 N 0.96 1.09 -0.34 3.43 0.00 0.29 0.14 119.26 124.82 2rgk h ALA 265 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2rgk h ALA 265 Cb 1.21 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 2rgk h ALA 265 CO 0.12 -0.09 -0.27 2.89 0.00 0.00 0.00 179.25 181.90 2rgk n ARG 266 N -2.59 2.05 -3.82 0.00 1.85 -1.14 -4.97 116.66 108.04 2rgk n ARG 266 Ca -0.02 -3.38 -0.29 0.00 -1.00 0.00 0.00 57.85 53.16 2rgk n ARG 266 Cb 0.15 -1.85 0.02 0.00 -1.05 0.00 0.00 32.46 29.73 2rgk n ARG 266 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2rgk s GLU 268 N -6.53 2.79 -0.14 0.00 2.12 -0.58 -5.02 118.70 111.35 2rgk s GLU 268 Ca 0.63 -0.79 -0.29 0.00 0.36 0.00 0.00 54.97 54.88 2rgk s GLU 268 Cb -0.31 -2.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.90 2rgk s GLU 268 CO 0.78 0.12 1.34 -0.65 -0.54 0.00 0.00 175.26 176.31 2rgk s GLN 269 N 0.48 4.22 0.47 4.30 -0.21 -1.26 -3.21 119.66 124.45 2rgk s GLN 269 Ca -0.16 1.76 -0.22 0.00 0.02 0.00 0.00 55.36 56.76 2rgk s GLN 269 Cb -0.17 -3.81 -0.07 0.00 1.00 0.00 0.00 33.01 29.96 2rgk s GLN 269 CO 0.06 -0.74 1.14 -1.25 -2.12 0.00 0.00 175.29 172.39 2rgk s PRO 270 N 3.61 3.72 0.48 2.91 0.04 -1.26 -4.96 135.00 139.53 2rgk s PRO 270 Ca 0.58 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 63.10 2rgk s PRO 270 Cb -0.24 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 2rgk s PRO 270 CO 0.18 -0.56 0.94 -2.30 0.04 0.00 0.00 177.00 175.29 2rgk n PRO 271 N -0.63 1.14 0.01 0.56 -0.02 -1.26 -4.87 135.00 129.94 2rgk n PRO 271 Ca 0.08 0.42 -0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2rgk n PRO 271 Cb 0.49 -2.03 0.29 0.00 -0.02 0.00 0.00 33.50 32.23 2rgk n PRO 271 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rgk h ALA 272 N 1.14 1.33 0.00 3.55 0.00 -2.03 -3.08 119.26 120.18 2rgk h ALA 272 Ca -0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2rgk h ALA 272 Cb 1.35 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2rgk h ALA 272 CO 0.54 0.45 -0.00 0.11 0.00 0.00 0.00 179.25 180.35 2rgk h TRP 273 N 0.46 0.00 0.23 0.00 5.08 -1.98 -2.41 115.95 117.33 2rgk h TRP 273 Ca 0.09 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.05 2rgk h TRP 273 Cb 0.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 2rgk h TRP 273 CO 0.01 0.00 -0.11 -0.07 -1.28 0.00 0.00 178.44 177.00 2rgk h LEU 274 N 0.00 -0.26 -0.21 0.11 3.38 -1.90 0.53 115.31 116.96 2rgk h LEU 274 Ca -0.00 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 2rgk h LEU 274 Cb 0.04 0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2rgk h LEU 274 CO 0.00 -0.12 -0.70 0.25 0.09 0.00 0.00 178.44 177.97 2rgk h LEU 275 N -0.38 0.97 -0.24 1.67 5.85 -1.71 -2.17 115.31 119.30 2rgk h LEU 275 Ca -0.03 -0.59 0.03 0.00 0.84 0.00 0.00 57.88 58.13 2rgk h LEU 275 Cb 0.29 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2rgk h LEU 275 CO 0.05 1.40 0.03 -0.33 -0.34 0.00 0.00 178.44 179.25 2rgk h GLU 276 N 0.60 0.11 -0.06 1.25 5.08 -1.40 -0.91 114.58 119.25 2rgk h GLU 276 Ca -0.03 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2rgk h GLU 276 Cb 1.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2rgk h GLU 276 CO 0.15 0.07 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.31 2rgk h ASP 277 N 0.11 0.16 -0.38 1.42 3.32 -0.91 -1.55 116.42 118.59 2rgk h ASP 277 Ca 0.11 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2rgk h ASP 277 Cb 0.12 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2rgk h ASP 277 CO -0.16 0.63 0.14 0.00 -1.72 0.00 0.00 179.24 178.13 2rgk h ALA 278 N 1.38 0.49 -0.96 3.45 0.00 -0.87 0.43 119.26 123.18 2rgk h ALA 278 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2rgk h ALA 278 Cb 0.90 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2rgk h ALA 278 CO 0.07 0.11 0.62 0.87 0.00 0.00 0.00 179.25 180.92 2rgk h LYS 279 N 0.47 1.27 -0.34 0.00 1.57 -0.94 -1.59 116.57 117.02 2rgk h LYS 279 Ca 0.13 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2rgk h LYS 279 Cb 0.21 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2rgk h LYS 279 CO -0.01 0.85 0.06 0.78 -0.57 0.00 0.00 179.45 180.56 2rgk h GLY 280 N 1.31 0.60 1.64 3.86 0.00 -0.64 -0.64 103.07 109.19 2rgk h GLY 280 Ca 0.35 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 2rgk h GLY 280 CO -0.07 0.37 -0.25 1.41 0.00 0.00 0.00 176.54 177.99 2rgk h LEU 281 N 0.39 0.42 -0.11 3.11 3.38 -0.70 -1.53 115.31 120.27 2rgk h LEU 281 Ca 0.10 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2rgk h LEU 281 Cb 0.34 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2rgk h LEU 281 CO 0.01 0.67 -0.11 0.15 0.09 0.00 0.00 178.44 179.25 2rgk h PHE 282 N 0.37 0.32 -0.36 1.13 3.57 -1.14 -1.59 116.94 119.24 2rgk h PHE 282 Ca 0.06 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.49 2rgk h PHE 282 Cb 0.65 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2rgk h PHE 282 CO 0.02 0.69 0.16 -0.97 -2.23 0.00 0.00 178.31 175.98 2rgk h ASN 283 N -0.14 0.23 -0.83 0.41 -1.24 -0.96 -1.96 115.58 111.08 2rgk h ASN 283 Ca 0.02 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.06 2rgk h ASN 283 Cb 0.64 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.63 2rgk h ASN 283 CO 0.03 0.17 0.55 0.00 -1.29 0.00 0.00 177.43 176.89 2rgk h ALA 284 N 1.20 1.06 -0.16 1.57 0.00 -1.27 0.12 119.26 121.77 2rgk h ALA 284 Ca 0.15 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2rgk h ALA 284 Cb 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2rgk h ALA 284 CO -0.12 0.46 -0.03 1.15 0.00 0.00 0.00 179.25 180.70 2rgk h THR 285 N 1.12 0.85 -0.16 0.00 2.02 -0.65 0.24 112.91 116.33 2rgk h THR 285 Ca 0.31 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 2rgk h THR 285 Cb -0.12 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2rgk h THR 285 CO -0.07 0.00 0.03 0.58 0.37 0.00 0.00 175.52 176.43 2rgk h VAL 286 N 0.01 1.22 -0.47 3.16 2.07 -1.06 -0.46 116.25 120.72 2rgk h VAL 286 Ca 0.07 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 66.97 2rgk h VAL 286 Cb 0.11 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 2rgk h VAL 286 CO -0.16 0.21 0.01 -0.09 0.02 0.00 0.00 177.57 177.57 2rgk h ARG 287 N 0.04 0.12 0.05 1.57 2.43 -0.42 -2.88 114.38 115.29 2rgk h ARG 287 Ca 0.05 -0.01 -0.38 0.00 -0.81 0.00 0.00 59.98 58.83 2rgk h ARG 287 Cb 0.30 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 2rgk h ARG 287 CO 0.00 0.08 -2.27 -0.25 -1.51 0.00 0.00 179.97 176.02 2rgk n ASP 288 N -5.21 1.92 0.01 -3.80 8.00 0.04 -4.73 116.55 112.79 2rgk n ASP 288 Ca 0.05 0.01 0.11 0.00 0.71 0.00 0.00 54.79 55.67 2rgk n ASP 288 Cb 0.25 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 40.78 2rgk n ASP 288 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rgk n ALA 289 N -3.12 3.58 -2.63 2.24 0.00 -0.18 -4.72 120.51 115.67 2rgk n ALA 289 Ca -0.39 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.18 2rgk n ALA 289 Cb 1.02 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 2rgk n ALA 289 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2rgk s TRP 290 N -3.22 3.28 -1.21 0.00 -0.11 -1.09 -1.98 118.94 114.62 2rgk s TRP 290 Ca 0.02 0.69 -0.28 0.00 1.22 0.00 0.00 56.10 57.74 2rgk s TRP 290 Cb 0.15 -2.73 0.03 0.00 -1.50 0.00 0.00 33.47 29.41 2rgk s TRP 290 CO 0.84 -0.26 0.69 0.00 -4.62 0.00 0.00 176.95 173.60 2rgk n ALA 291 N 5.45 -2.56 0.29 5.86 0.00 -0.35 -4.89 120.51 124.32 2rgk n ALA 291 Ca -0.04 -0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.04 2rgk n ALA 291 Cb 0.50 -3.05 0.16 0.00 0.00 0.00 0.00 19.45 17.06 2rgk n ALA 291 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2rgk n PRO 292 N -4.74 2.11 -0.97 0.00 -0.04 -1.26 -4.61 135.00 125.49 2rgk n PRO 292 Ca -0.12 -1.97 0.04 0.00 -0.04 0.00 0.00 63.50 61.41 2rgk n PRO 292 Cb 0.58 -1.40 0.06 0.00 -0.04 0.00 0.00 33.50 32.70 2rgk n PRO 292 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2rgk n ASP 293 N 1.11 0.96 0.00 3.54 5.68 -1.26 -4.99 116.55 121.59 2rgk n ASP 293 Ca 0.15 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 2rgk n ASP 293 Cb 0.50 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2rgk n ASP 293 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rgk n GLY 294 N -0.06 0.08 3.08 6.12 0.00 -1.26 -5.06 105.19 108.09 2rgk n GLY 294 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2rgk n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rgk s ALA 295 N -2.00 -0.08 1.09 4.61 0.00 -1.26 -5.14 121.76 118.97 2rgk s ALA 295 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 2rgk s ALA 295 Cb 0.00 0.18 0.24 0.00 0.00 0.00 0.00 23.12 23.54 2rgk s ALA 295 CO 0.00 -0.24 1.06 -0.51 0.00 0.00 0.00 175.76 176.07 2rgk s ASP 296 N -1.73 1.76 0.00 0.00 1.01 -1.26 -4.14 116.67 112.31 2rgk s ASP 296 Ca -0.11 1.29 0.00 0.00 0.71 0.00 0.00 52.55 54.44 2rgk s ASP 296 Cb -0.05 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.86 2rgk s ASP 296 CO -0.02 -3.68 0.00 0.61 0.21 0.00 0.00 175.17 172.29 2rgk n GLY 297 N -0.26 2.77 3.43 0.21 0.00 -1.26 -4.72 105.19 105.36 2rgk n GLY 297 Ca 0.04 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 2rgk n GLY 297 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rgk s ILE 298 N -2.51 4.41 0.81 -0.61 -1.09 -1.25 -1.21 121.20 119.75 2rgk s ILE 298 Ca 0.00 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 57.94 2rgk s ILE 298 Cb 0.00 -3.19 0.08 0.00 -1.58 0.00 0.00 42.46 37.77 2rgk s ILE 298 CO 0.00 0.16 1.10 0.68 -1.23 0.00 0.00 174.94 175.65 2rgk s VAL 299 N 1.60 3.07 -0.08 2.92 -7.23 -0.84 -4.42 120.40 115.42 2rgk s VAL 299 Ca 0.05 0.35 -0.26 0.00 -1.81 0.00 0.00 61.98 60.31 2rgk s VAL 299 Cb -0.16 -2.77 -0.25 0.00 0.56 0.00 0.00 36.38 33.75 2rgk s VAL 299 CO 0.05 -0.45 0.94 0.22 -0.31 0.00 0.00 175.10 175.54 2rgk h TYR 300 N -1.30 0.20 -3.66 2.82 3.20 -1.22 -3.43 116.97 113.58 2rgk h TYR 300 Ca -0.44 -0.12 -0.31 0.00 3.14 0.00 0.00 58.73 60.99 2rgk h TYR 300 Cb 1.24 -0.02 -0.17 0.00 1.54 0.00 0.00 36.73 39.33 2rgk h TYR 300 CO 0.54 0.99 -0.73 0.95 -1.64 0.00 0.00 178.16 178.28 2rgk s THR 301 N -2.79 0.97 0.04 1.81 -4.23 -0.97 -4.07 115.64 106.41 2rgk s THR 301 Ca -0.17 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2rgk s THR 301 Cb -0.00 -1.50 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 2rgk s THR 301 CO 0.73 -0.63 0.06 0.54 -0.54 0.00 0.00 174.62 174.78 2rgk s VAL 302 N -2.74 0.15 0.51 2.29 0.11 -0.68 -1.01 120.40 119.03 2rgk s VAL 302 Ca 0.08 -1.25 -0.00 0.00 -2.93 0.00 0.00 61.98 57.88 2rgk s VAL 302 Cb -0.01 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.94 2rgk s VAL 302 CO -0.00 -0.69 0.69 -0.90 -3.33 0.00 0.00 175.10 170.87 2rgk n ASP 303 N 0.65 0.92 0.00 3.54 3.85 0.18 -1.60 116.55 124.09 2rgk n ASP 303 Ca -0.18 -1.78 0.04 0.00 -0.71 0.00 0.00 54.79 52.16 2rgk n ASP 303 Cb 0.59 -0.45 0.25 0.00 -1.35 0.00 0.00 41.12 40.16 2rgk n ASP 303 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 2rgk n TRP 304 N -2.42 0.00 0.04 2.11 5.03 -1.26 -0.59 117.44 120.35 2rgk n TRP 304 Ca 0.11 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.66 2rgk n TRP 304 Cb 0.41 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 30.72 2rgk n TRP 304 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 2rgk n GLU 305 N -0.79 1.16 -0.72 -0.99 1.02 -1.26 -4.97 120.64 114.08 2rgk n GLU 305 Ca 0.06 -1.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 2rgk n GLU 305 Cb 0.03 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2rgk n GLU 305 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rgk n GLY 306 N -0.01 0.85 3.73 0.62 0.00 0.24 -5.03 105.19 105.58 2rgk n GLY 306 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2rgk n GLY 306 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rgk s LYS 307 N -0.28 4.64 0.34 1.61 3.01 -1.26 -4.66 119.74 123.13 2rgk s LYS 307 Ca 0.00 1.54 -0.29 0.00 -1.01 0.00 0.00 55.97 56.21 2rgk s LYS 307 Cb 0.00 -3.36 -0.12 0.00 -1.01 0.00 0.00 37.83 33.34 2rgk s LYS 307 CO 0.00 0.12 1.40 -2.30 0.51 0.00 0.00 175.35 175.08 2rgk n PRO 308 N 2.88 2.36 0.00 -1.68 -0.02 -1.26 0.52 135.00 137.80 2rgk n PRO 308 Ca 0.03 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2rgk n PRO 308 Cb 0.48 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2rgk n PRO 308 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2rgk n VAL 309 N 0.74 0.00 -2.54 -1.45 0.31 -0.18 -4.77 118.33 110.44 2rgk n VAL 309 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.95 2rgk n VAL 309 Cb 0.37 -0.42 -0.02 0.00 -0.91 0.00 0.00 33.84 32.85 2rgk n VAL 309 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2rgk s VAL 310 N 0.00 4.08 -1.23 2.52 1.01 -1.22 -4.88 120.40 120.68 2rgk s VAL 310 Ca 0.00 1.06 0.27 0.00 0.00 0.00 0.00 61.98 63.31 2rgk s VAL 310 Cb 0.00 -4.57 0.21 0.00 0.00 0.00 0.00 36.38 32.02 2rgk s VAL 310 CO 0.00 -1.08 1.68 0.54 0.00 0.00 0.00 175.10 176.25 2rgk n ARG 311 N 8.10 0.25 -1.63 2.72 1.74 -1.26 -2.16 116.66 124.42 2rgk n ARG 311 Ca 0.12 -0.10 -0.38 0.00 -0.77 0.00 0.00 57.85 56.72 2rgk n ARG 311 Cb 0.49 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.48 2rgk n ARG 311 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2rgk n GLU 312 N -1.28 0.94 -3.34 5.56 4.71 -1.26 -4.40 120.64 121.57 2rgk n GLU 312 Ca 0.09 0.36 -0.46 0.00 -0.01 0.00 0.00 57.16 57.14 2rgk n GLU 312 Cb 0.32 -2.20 -0.04 0.00 -1.01 0.00 0.00 31.44 28.51 2rgk n GLU 312 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2rgk s ARG 313 N -2.80 3.28 0.56 3.49 1.81 0.15 -2.69 118.95 122.76 2rgk s ARG 313 Ca 0.76 -2.12 -0.15 0.00 -1.72 0.00 0.00 55.73 52.50 2rgk s ARG 313 Cb -0.42 -4.34 -0.05 0.00 -0.45 0.00 0.00 34.95 29.69 2rgk s ARG 313 CO 0.47 -1.30 1.02 0.08 -0.68 0.00 0.00 175.30 174.88 2rgk s VAL 314 N 0.81 4.28 -0.02 3.52 1.01 -1.26 -0.87 120.40 127.86 2rgk s VAL 314 Ca 0.11 1.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.87 2rgk s VAL 314 Cb -0.19 -3.60 -0.19 0.00 0.00 0.00 0.00 36.38 32.39 2rgk s VAL 314 CO -0.03 -0.69 1.21 -0.09 0.00 0.00 0.00 175.10 175.50 2rgk h ARG 315 N 0.52 -0.08 -0.52 2.72 2.43 -1.31 -3.36 114.38 114.78 2rgk h ARG 315 Ca -0.46 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 2rgk h ARG 315 Cb 1.20 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 2rgk h ARG 315 CO 0.60 0.38 0.34 0.11 -1.51 0.00 0.00 179.97 179.89 2rgk h TRP 316 N -0.57 0.64 -0.31 2.20 5.08 -1.93 -2.98 115.95 118.07 2rgk h TRP 316 Ca -0.01 0.02 0.06 0.00 1.08 0.00 0.00 58.89 60.04 2rgk h TRP 316 Cb 0.49 -0.22 -0.06 0.00 -3.00 0.00 0.00 29.16 26.38 2rgk h TRP 316 CO 0.08 0.40 -0.06 -1.35 -1.28 0.00 0.00 178.44 176.23 2rgk h PRO 317 N 0.69 0.02 0.00 0.12 0.11 -1.91 -0.69 132.00 130.33 2rgk h PRO 317 Ca 0.19 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.19 2rgk h PRO 317 Cb -0.06 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 2rgk h PRO 317 CO -0.04 0.01 -0.53 0.97 -0.21 0.00 0.00 178.00 178.20 2rgk h ILE 318 N 0.02 1.25 -0.79 4.15 2.10 -1.76 -2.25 117.51 120.23 2rgk h ILE 318 Ca 0.15 -1.89 -0.03 0.00 1.08 0.00 0.00 64.86 64.17 2rgk h ILE 318 Cb 0.23 2.06 -0.04 0.00 -1.09 0.00 0.00 36.82 37.97 2rgk h ILE 318 CO -0.31 0.52 0.37 0.58 -1.08 0.00 0.00 178.15 178.23 2rgk h VAL 319 N 0.00 1.25 -0.00 2.19 2.07 -1.20 -2.03 116.25 118.52 2rgk h VAL 319 Ca -0.01 -0.70 -0.14 0.00 0.82 0.00 0.00 66.70 66.67 2rgk h VAL 319 Cb 1.01 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2rgk h VAL 319 CO 0.07 0.30 -0.68 -0.33 0.02 0.00 0.00 177.57 176.94 2rgk h GLU 320 N 1.12 0.01 -0.57 1.57 4.39 -0.91 -2.79 114.58 117.40 2rgk h GLU 320 Ca 0.27 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2rgk h GLU 320 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2rgk h GLU 320 CO -0.03 0.69 0.33 0.00 -1.16 0.00 0.00 179.01 178.83 2rgk h ALA 321 N 1.31 0.72 -0.70 3.43 0.00 -0.78 0.19 119.26 123.42 2rgk h ALA 321 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2rgk h ALA 321 Cb 1.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2rgk h ALA 321 CO 0.09 0.22 0.20 0.52 0.00 0.00 0.00 179.25 180.28 2rgk h MET 322 N 0.76 1.11 -0.40 0.00 2.86 -1.32 0.22 114.93 118.16 2rgk h MET 322 Ca 0.20 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2rgk h MET 322 Cb 0.01 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2rgk h MET 322 CO -0.04 0.97 0.13 0.78 1.06 0.00 0.00 176.91 179.82 2rgk h GLY 323 N 1.05 0.67 1.09 8.32 0.00 -1.11 -2.09 103.07 110.99 2rgk h GLY 323 Ca 0.22 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 2rgk h GLY 323 CO -0.00 0.36 -0.25 -0.84 0.00 0.00 0.00 176.54 175.82 2rgk h THR 324 N 0.51 1.27 -0.73 4.70 2.02 -0.42 -2.15 112.91 118.12 2rgk h THR 324 Ca 0.13 -1.41 0.12 0.00 0.77 0.00 0.00 66.41 66.03 2rgk h THR 324 Cb 0.24 1.23 -0.09 0.00 -1.74 0.00 0.00 68.15 67.80 2rgk h THR 324 CO -0.01 0.48 0.31 0.00 0.37 0.00 0.00 175.52 176.67 2rgk h ALA 325 N 0.83 1.01 -0.56 6.16 0.00 -0.36 0.98 119.26 127.32 2rgk h ALA 325 Ca 0.09 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2rgk h ALA 325 Cb 0.82 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2rgk h ALA 325 CO 0.07 -0.16 0.26 -0.92 0.00 0.00 0.00 179.25 178.50 2rgk h TYR 326 N 0.48 0.82 0.14 0.00 3.20 -1.18 -1.20 116.97 119.23 2rgk h TYR 326 Ca 0.39 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2rgk h TYR 326 Cb 0.53 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2rgk h TYR 326 CO -0.15 0.63 -0.07 0.00 -1.64 0.00 0.00 178.16 176.94 2rgk h ALA 327 N 1.10 -0.18 -0.54 1.82 0.00 -0.40 0.48 119.26 121.53 2rgk h ALA 327 Ca 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2rgk h ALA 327 Cb 0.13 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2rgk h ALA 327 CO -0.02 -0.57 0.30 -0.07 0.00 0.00 0.00 179.25 178.89 2rgk h LEU 328 N -0.24 0.65 -0.28 0.00 3.38 -0.81 -1.76 115.31 116.24 2rgk h LEU 328 Ca -0.02 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2rgk h LEU 328 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2rgk h LEU 328 CO 0.03 0.52 -0.01 0.22 0.09 0.00 0.00 178.44 179.29 2rgk h TYR 329 N 0.75 0.55 -0.26 1.13 3.20 -0.88 0.28 116.97 121.74 2rgk h TYR 329 Ca 0.19 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2rgk h TYR 329 Cb 0.01 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2rgk h TYR 329 CO 0.00 0.66 0.17 1.15 -1.64 0.00 0.00 178.16 178.50 2rgk h THR 330 N 0.29 1.04 0.10 1.81 2.02 -0.25 0.36 112.91 118.29 2rgk h THR 330 Ca 0.08 -0.11 -0.37 0.00 0.77 0.00 0.00 66.41 66.79 2rgk h THR 330 Cb 0.44 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2rgk h THR 330 CO 0.02 0.06 -2.05 0.52 0.37 0.00 0.00 175.52 174.43 2rgk n VAL 331 N -4.50 1.73 -0.03 3.16 0.31 -0.73 -4.62 118.33 113.66 2rgk n VAL 331 Ca 0.01 -0.62 -0.12 0.00 -0.01 0.00 0.00 64.34 63.60 2rgk n VAL 331 Cb 0.10 -1.70 -0.14 0.00 -0.91 0.00 0.00 33.84 31.19 2rgk n VAL 331 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2rgk n THR 332 N -3.49 1.62 -0.70 2.52 -2.24 0.97 -4.97 114.28 108.00 2rgk n THR 332 Ca -0.34 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 2rgk n THR 332 Cb 1.03 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2rgk n THR 332 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rgk n GLY 333 N 1.69 1.24 3.64 3.38 0.00 0.13 -4.98 105.19 110.29 2rgk n GLY 333 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2rgk n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rgk s ASP 334 N -3.14 6.43 0.54 1.61 -1.08 -1.26 -4.87 116.67 114.90 2rgk s ASP 334 Ca 0.00 1.74 0.36 0.00 -0.52 0.00 0.00 52.55 54.13 2rgk s ASP 334 Cb 0.00 -2.53 1.77 0.00 -1.46 0.00 0.00 42.92 40.70 2rgk s ASP 334 CO 0.00 -1.20 2.08 0.03 0.52 0.00 0.00 175.17 176.60 2rgk h ARG 335 N 10.54 0.00 0.00 4.34 3.08 -1.94 -2.56 114.38 127.84 2rgk h ARG 335 Ca -0.35 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 2rgk h ARG 335 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2rgk h ARG 335 CO 0.99 0.00 -0.07 1.96 -1.07 0.00 0.00 179.97 181.78 2rgk h GLN 336 N 0.00 0.00 0.00 0.04 4.20 -2.00 -0.06 115.11 117.29 2rgk h GLN 336 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2rgk h GLN 336 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2rgk h GLN 336 CO 0.00 0.07 -0.51 1.88 -0.67 0.00 0.00 178.83 179.60 2rgk h TYR 337 N 0.00 0.00 -0.01 2.96 0.99 -1.77 -2.66 116.97 116.48 2rgk h TYR 337 Ca -0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 2rgk h TYR 337 Cb 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.90 2rgk h TYR 337 CO 0.00 0.51 -0.91 1.49 -0.00 0.00 0.00 178.16 179.25 2rgk h GLU 338 N 0.00 0.36 -0.61 4.88 4.81 -1.19 -2.31 114.58 120.52 2rgk h GLU 338 Ca -0.01 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2rgk h GLU 338 Cb 1.06 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2rgk h GLU 338 CO 0.07 1.06 0.12 1.15 -0.73 0.00 0.00 179.01 180.68 2rgk h THR 339 N 0.20 1.25 -0.43 0.32 2.02 -1.23 -0.08 112.91 114.96 2rgk h THR 339 Ca -0.07 -0.93 -0.09 0.00 0.77 0.00 0.00 66.41 66.09 2rgk h THR 339 Cb 1.54 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2rgk h THR 339 CO 0.15 0.35 -0.09 -0.50 0.37 0.00 0.00 175.52 175.80 2rgk h TRP 340 N 0.92 0.92 -0.48 3.16 4.06 -1.44 0.20 115.95 123.28 2rgk h TRP 340 Ca 0.19 -0.19 0.04 0.00 2.06 0.00 0.00 58.89 60.99 2rgk h TRP 340 Cb 0.36 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.26 2rgk h TRP 340 CO 0.02 0.92 0.25 -0.92 -3.56 0.00 0.00 178.44 175.15 2rgk h TYR 341 N 0.65 0.45 -0.38 0.49 3.20 -1.03 0.39 116.97 120.75 2rgk h TYR 341 Ca 0.11 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.84 2rgk h TYR 341 Cb 0.61 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2rgk h TYR 341 CO 0.05 0.23 -0.38 1.96 -1.64 0.00 0.00 178.16 178.37 2rgk h GLN 342 N 0.48 0.93 -0.87 1.82 4.20 -0.85 -1.21 115.11 119.62 2rgk h GLN 342 Ca 0.21 -0.49 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2rgk h GLN 342 Cb 0.11 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 2rgk h GLN 342 CO -0.15 1.15 0.52 1.15 -0.67 0.00 0.00 178.83 180.83 2rgk h THR 343 N 0.75 1.24 0.00 -0.54 2.02 0.03 -1.93 112.91 114.48 2rgk h THR 343 Ca 0.06 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 2rgk h THR 343 Cb 0.98 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2rgk h THR 343 CO 0.09 0.25 -0.32 -0.50 0.37 0.00 0.00 175.52 175.42 2rgk h TRP 344 N 1.19 0.00 -0.08 3.16 6.55 -0.06 -3.01 115.95 123.70 2rgk h TRP 344 Ca 0.31 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.97 2rgk h TRP 344 Cb -0.05 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.25 2rgk h TRP 344 CO -0.00 0.32 -0.71 -1.49 -1.05 0.00 0.00 178.44 175.51 2rgk h TRP 345 N 0.00 0.51 -0.48 0.49 -0.00 -0.49 -2.12 115.95 113.87 2rgk h TRP 345 Ca -0.00 -0.22 -0.07 0.00 -0.00 0.00 0.00 58.89 58.60 2rgk h TRP 345 Cb 0.99 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 30.05 2rgk h TRP 345 CO 0.00 0.97 0.04 0.93 -0.00 0.00 0.00 178.44 180.37 2rgk h GLU 346 N 0.26 0.82 -0.15 0.49 4.39 -1.34 -2.13 114.58 116.92 2rgk h GLU 346 Ca -0.03 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 2rgk h GLU 346 Cb 1.28 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2rgk h GLU 346 CO 0.12 0.85 0.09 -0.92 -1.16 0.00 0.00 179.01 177.99 2rgk h TYR 347 N 0.68 0.20 -0.15 4.33 3.20 -1.48 -2.47 116.97 121.26 2rgk h TYR 347 Ca 0.14 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.03 2rgk h TYR 347 Cb 0.45 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2rgk h TYR 347 CO 0.03 0.16 0.03 0.00 -1.64 0.00 0.00 178.16 176.75 2rgk h ILE 349 N 0.10 0.98 0.07 0.00 2.10 -1.40 0.23 117.51 119.59 2rgk h ILE 349 Ca 0.07 -1.28 -0.27 0.00 1.08 0.00 0.00 64.86 64.46 2rgk h ILE 349 Cb 0.06 1.75 0.03 0.00 -1.09 0.00 0.00 36.82 37.56 2rgk h ILE 349 CO -0.09 0.33 -1.09 0.50 -1.08 0.00 0.00 178.15 176.73 2rgk h LYS 350 N 0.00 0.60 0.00 2.19 3.64 -1.05 -3.39 116.57 118.56 2rgk h LYS 350 Ca -0.00 -0.75 -0.01 0.00 -1.27 0.00 0.00 60.65 58.61 2rgk h LYS 350 Cb 0.72 0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2rgk h LYS 350 CO 0.04 1.33 -1.21 0.66 -2.27 0.00 0.00 179.45 178.00 2rgk n TYR 351 N -3.89 0.00 -0.11 1.91 4.02 0.02 -4.88 117.16 114.24 2rgk n TYR 351 Ca -0.13 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.62 2rgk n TYR 351 Cb 0.91 -0.12 -0.10 0.00 -0.02 0.00 0.00 39.34 40.01 2rgk n TYR 351 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2rgk n LEU 352 N -1.74 2.98 -4.75 7.72 4.77 0.65 -4.86 117.00 121.77 2rgk n LEU 352 Ca -0.02 -0.11 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 2rgk n LEU 352 Cb 0.21 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 2rgk n LEU 352 CO 0.09 0.86 1.10 -0.04 -1.33 0.00 0.00 177.39 178.06 2rgk s MET 353 N -2.42 4.25 -0.66 3.23 -1.94 -0.33 0.19 119.30 121.62 2rgk s MET 353 Ca -0.28 2.34 0.05 0.00 -1.71 0.00 0.00 55.69 56.08 2rgk s MET 353 Cb 0.07 -3.08 0.17 0.00 2.01 0.00 0.00 34.83 34.00 2rgk s MET 353 CO 0.49 -0.41 0.46 0.34 -0.01 0.00 0.00 175.02 175.89 2rgk s ASP 354 N 0.17 4.47 0.39 3.03 -1.08 0.07 -4.83 116.67 118.89 2rgk s ASP 354 Ca 0.57 -3.72 0.15 0.00 -0.52 0.00 0.00 52.55 49.04 2rgk s ASP 354 Cb -0.42 -1.52 0.80 0.00 -1.46 0.00 0.00 42.92 40.31 2rgk s ASP 354 CO 0.47 -0.10 1.84 1.88 0.52 0.00 0.00 175.17 179.78 2rgk h TYR 355 N 5.50 0.00 0.93 -5.34 -1.99 -1.88 0.19 116.97 114.38 2rgk h TYR 355 Ca 0.14 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.83 2rgk h TYR 355 Cb 0.78 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.52 2rgk h TYR 355 CO 0.63 0.35 -0.45 0.93 -0.00 0.00 0.00 178.16 179.63 2rgk h GLU 356 N 0.00 -1.21 -0.10 4.88 4.39 -1.94 -3.34 114.58 117.27 2rgk h GLU 356 Ca -0.00 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2rgk h GLU 356 Cb 0.67 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2rgk h GLU 356 CO 0.05 -0.80 0.00 0.09 -1.16 0.00 0.00 179.01 177.18 2rgk n ASN 357 N -5.61 2.65 0.00 1.42 3.02 -1.23 -5.09 115.26 110.42 2rgk n ASN 357 Ca -0.16 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 2rgk n ASN 357 Cb 0.49 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 2rgk n ASN 357 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rgk n GLY 358 N 1.04 1.92 7.00 7.41 0.00 0.67 -4.47 105.19 118.77 2rgk n GLY 358 Ca 0.12 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2rgk n GLY 358 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rgk n SER 359 N -0.07 0.00 -4.44 1.61 2.88 -1.24 -4.63 113.62 107.74 2rgk n SER 359 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 2rgk n SER 359 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2rgk n SER 359 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2rgk s TRP 360 N 0.00 2.20 0.73 0.66 0.52 -1.26 -0.75 118.94 121.03 2rgk s TRP 360 Ca 0.00 -0.37 -0.12 0.00 0.02 0.00 0.00 56.10 55.63 2rgk s TRP 360 Cb 0.00 -0.97 0.03 0.00 -1.15 0.00 0.00 33.47 31.38 2rgk s TRP 360 CO 0.00 0.64 1.09 -1.58 0.02 0.00 0.00 176.95 177.12 2rgk s TRP 361 N -2.49 2.66 -0.15 -1.98 0.52 0.13 -4.86 118.94 112.77 2rgk s TRP 361 Ca 0.28 1.54 0.02 0.00 0.02 0.00 0.00 56.10 57.96 2rgk s TRP 361 Cb -0.05 -3.06 -0.23 0.00 -1.15 0.00 0.00 33.47 28.98 2rgk s TRP 361 CO 0.13 -1.69 0.25 0.94 0.02 0.00 0.00 176.95 176.60 2rgk n GLN 362 N -3.11 0.70 -3.70 4.98 -0.06 -1.26 -4.67 117.38 110.26 2rgk n GLN 362 Ca 0.09 0.21 -0.14 0.00 -2.00 0.00 0.00 57.00 55.16 2rgk n GLN 362 Cb 0.53 -1.66 -0.08 0.00 -4.06 0.00 0.00 30.24 24.97 2rgk n GLN 362 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2rgk s GLU 363 N -2.55 0.71 0.20 3.69 2.12 -1.26 -0.93 118.70 120.68 2rgk s GLU 363 Ca -0.20 0.14 0.08 0.00 0.36 0.00 0.00 54.97 55.34 2rgk s GLU 363 Cb 0.07 0.33 -0.05 0.00 0.26 0.00 0.00 34.13 34.74 2rgk s GLU 363 CO 0.75 -0.18 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.63 2rgk s LEU 364 N -0.85 2.55 0.00 2.70 1.43 -0.05 -2.38 118.68 122.08 2rgk s LEU 364 Ca -0.09 -1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 51.89 2rgk s LEU 364 Cb -0.04 -0.67 0.15 0.00 0.03 0.00 0.00 46.19 45.66 2rgk s LEU 364 CO 0.04 -0.17 0.80 -0.90 0.23 0.00 0.00 176.35 176.36 2rgk n ASP 365 N -0.35 -0.21 0.00 2.29 3.85 0.12 -0.67 116.55 121.58 2rgk n ASP 365 Ca -0.08 -1.24 0.05 0.00 -0.71 0.00 0.00 54.79 52.81 2rgk n ASP 365 Cb 0.60 -0.63 0.24 0.00 -1.35 0.00 0.00 41.12 39.98 2rgk n ASP 365 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2rgk n ALA 366 N -3.63 1.53 -0.22 2.12 0.00 -1.26 -0.99 120.51 118.05 2rgk n ALA 366 Ca -0.13 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.36 2rgk n ALA 366 Cb 0.36 -1.18 0.25 0.00 0.00 0.00 0.00 19.45 18.88 2rgk n ALA 366 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2rgk n ASP 367 N -1.46 3.50 -0.94 0.00 8.00 -1.26 -4.72 116.55 119.67 2rgk n ASP 367 Ca 0.03 -1.98 -0.10 0.00 0.71 0.00 0.00 54.79 53.45 2rgk n ASP 367 Cb 0.12 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 2rgk n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2rgk n ASN 368 N 1.21 -3.82 -4.89 -2.24 3.02 -0.17 -5.03 115.26 103.34 2rgk n ASN 368 Ca 0.19 0.13 -0.34 0.00 -0.03 0.00 0.00 54.58 54.53 2rgk n ASN 368 Cb 0.54 -2.60 -0.05 0.00 -0.61 0.00 0.00 39.78 37.06 2rgk n ASN 368 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2rgk s LYS 369 N -3.61 3.50 0.33 3.52 2.20 -1.26 -4.77 119.74 119.65 2rgk s LYS 369 Ca 0.00 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.12 2rgk s LYS 369 Cb 0.00 -3.09 -0.12 0.00 -1.51 0.00 0.00 37.83 33.11 2rgk s LYS 369 CO 0.00 0.67 1.44 0.28 -0.36 0.00 0.00 175.35 177.38 2rgk n VAL 370 N 1.07 1.65 -4.10 4.02 0.31 -1.26 0.12 118.33 120.13 2rgk n VAL 370 Ca -0.11 -0.41 -0.04 0.00 -0.01 0.00 0.00 64.34 63.76 2rgk n VAL 370 Cb 0.53 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.66 2rgk n VAL 370 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2rgk n THR 371 N 0.97 0.00 -3.65 2.52 -1.04 -1.00 -4.77 114.28 107.31 2rgk n THR 371 Ca 0.05 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 61.59 2rgk n THR 371 Cb 0.37 0.08 -0.08 0.00 -1.82 0.00 0.00 70.33 68.88 2rgk n THR 371 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2rgk s THR 372 N -1.37 -0.00 0.00 12.58 -4.23 -1.26 -4.84 115.64 116.52 2rgk s THR 372 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2rgk s THR 372 Cb 0.00 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2rgk s THR 372 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2rgk n GLY 377 N 2.84 1.48 2.45 3.99 0.00 -1.26 -5.15 105.19 109.53 2rgk n GLY 377 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 2rgk n GLY 377 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rgk n LYS 378 N 0.00 1.72 0.00 1.61 5.02 -0.61 -4.18 118.16 121.72 2rgk n LYS 378 Ca 0.00 -3.83 0.12 0.00 -2.02 0.00 0.00 58.31 52.57 2rgk n LYS 378 Cb 0.00 -1.84 0.71 0.00 -0.02 0.00 0.00 35.03 33.87 2rgk n LYS 378 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rgk n GLN 379 N 0.08 0.73 -4.16 1.97 0.00 -1.12 -4.45 117.38 110.44 2rgk n GLN 379 Ca 0.26 0.00 -0.17 0.00 0.00 0.00 0.00 57.00 57.09 2rgk n GLN 379 Cb 0.59 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 29.22 2rgk n GLN 379 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2rgk s ASP 380 N -2.02 1.56 0.00 2.61 2.15 -1.26 -4.71 116.67 115.00 2rgk s ASP 380 Ca 0.35 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.70 2rgk s ASP 380 Cb 0.16 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2rgk s ASP 380 CO 0.28 -0.11 0.00 2.30 -0.17 0.00 0.00 175.17 177.47 2rgk n ILE 381 N 1.22 0.00 -0.27 4.11 -5.35 -1.26 -4.88 119.36 112.92 2rgk n ILE 381 Ca -0.21 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.26 2rgk n ILE 381 Cb 0.55 1.00 0.11 0.00 -1.74 0.00 0.00 39.64 39.55 2rgk n ILE 381 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 2rgk h TYR 382 N 0.00 0.87 -0.44 4.28 3.20 -1.93 -2.48 116.97 120.47 2rgk h TYR 382 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2rgk h TYR 382 Cb 0.04 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2rgk h TYR 382 CO 0.00 0.47 0.04 0.45 -1.64 0.00 0.00 178.16 177.47 2rgk h HIS 383 N 0.89 0.73 -0.02 -3.82 3.86 -2.00 -3.01 115.15 111.78 2rgk h HIS 383 Ca 0.32 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 2rgk h HIS 383 Cb 0.10 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 2rgk h HIS 383 CO -0.04 0.67 0.04 -0.07 0.86 0.00 0.00 177.93 179.38 2rgk h LEU 384 N 0.66 0.00 -1.44 2.43 3.38 -1.80 -1.57 115.31 116.97 2rgk h LEU 384 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2rgk h LEU 384 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2rgk h LEU 384 CO 0.01 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.47 2rgk h LEU 385 N 0.00 0.00 -0.53 1.67 3.38 -1.60 -1.33 115.31 116.90 2rgk h LEU 385 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2rgk h LEU 385 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2rgk h LEU 385 CO -0.00 0.00 0.00 0.45 0.09 0.00 0.00 178.44 178.98 2rgk h HIS 386 N 0.00 0.00 0.00 1.13 3.86 -1.47 0.27 115.15 118.94 2rgk h HIS 386 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2rgk h HIS 386 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2rgk h HIS 386 CO 0.00 0.00 -0.33 0.00 0.86 0.00 0.00 177.93 178.46 2rgk n LEU 388 N -1.17 2.77 -0.13 0.00 4.77 -0.53 -4.71 117.00 117.99 2rgk n LEU 388 Ca 0.01 -0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 2rgk n LEU 388 Cb 0.08 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.33 2rgk n LEU 388 CO 0.09 0.80 -1.38 0.52 -1.33 0.00 0.00 177.39 176.09 2rgk n VAL 389 N -3.26 1.46 -0.26 4.08 0.31 0.88 -4.63 118.33 116.92 2rgk n VAL 389 Ca -0.39 -0.46 0.07 0.00 -0.01 0.00 0.00 64.34 63.55 2rgk n VAL 389 Cb 0.89 -1.64 0.20 0.00 -0.91 0.00 0.00 33.84 32.37 2rgk n VAL 389 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2rgk h ILE 390 N -0.51 0.50 0.00 2.52 2.04 -1.52 -0.00 117.51 120.54 2rgk h ILE 390 Ca -0.63 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2rgk h ILE 390 Cb 1.73 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2rgk h ILE 390 CO -0.26 0.05 0.00 -0.81 0.00 0.00 0.00 178.15 177.13 2rgk n PRO 391 N -5.15 0.41 0.00 2.37 -0.04 -1.26 -2.07 135.00 129.26 2rgk n PRO 391 Ca 0.15 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 2rgk n PRO 391 Cb 0.48 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2rgk n PRO 391 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rgk n ARG 392 N -0.76 1.86 -4.24 0.54 1.74 -0.02 -4.63 116.66 111.15 2rgk n ARG 392 Ca 0.05 -0.71 -0.14 0.00 -0.77 0.00 0.00 57.85 56.28 2rgk n ARG 392 Cb 0.02 -1.17 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 2rgk n ARG 392 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2rgk s ILE 393 N -1.57 0.98 1.27 0.55 -4.36 -0.88 -0.78 121.20 116.41 2rgk s ILE 393 Ca 0.11 -2.02 -0.18 0.00 -0.26 0.00 0.00 60.65 58.29 2rgk s ILE 393 Cb 0.10 -1.93 0.31 0.00 1.25 0.00 0.00 42.46 42.20 2rgk s ILE 393 CO 0.31 -0.67 1.01 -2.84 0.24 0.00 0.00 174.94 172.99 2rgk s PRO 394 N -3.81 -1.73 0.03 0.37 0.02 -1.26 -4.92 135.00 123.69 2rgk s PRO 394 Ca 0.19 0.29 0.27 0.00 0.02 0.00 0.00 61.00 61.77 2rgk s PRO 394 Cb 0.04 -1.50 0.89 0.00 0.02 0.00 0.00 34.50 33.94 2rgk s PRO 394 CO 0.01 -4.13 1.70 1.28 -0.33 0.00 0.00 177.00 175.53 2rgk n LEU 395 N -5.12 0.29 -3.78 -5.54 4.77 -1.26 -4.81 117.00 101.55 2rgk n LEU 395 Ca 0.09 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 2rgk n LEU 395 Cb 0.58 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.16 2rgk n LEU 395 CO 0.49 0.02 -0.20 0.00 -1.33 0.00 0.00 177.39 176.37 2rgk s ALA 396 N -3.02 -0.35 1.07 -1.18 0.00 -1.26 -4.40 121.76 112.61 2rgk s ALA 396 Ca 0.12 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.60 2rgk s ALA 396 Cb 0.18 -0.37 0.11 0.00 0.00 0.00 0.00 23.12 23.03 2rgk s ALA 396 CO 0.61 -0.12 0.43 -0.35 0.00 0.00 0.00 175.76 176.33 2rgk n PRO 397 N 3.61 -1.47 -0.44 0.00 -0.04 -1.26 -5.00 135.00 130.40 2rgk n PRO 397 Ca -0.19 -0.69 -0.29 0.00 -0.04 0.00 0.00 63.50 62.30 2rgk n PRO 397 Cb 0.55 -0.59 0.27 0.00 -0.04 0.00 0.00 33.50 33.70 2rgk n PRO 397 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2rgk s GLY 398 N -3.46 1.50 0.08 0.55 0.00 -1.26 -4.37 107.32 100.37 2rgk s GLY 398 Ca 0.27 -0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.44 2rgk s GLY 398 CO 0.20 0.53 1.43 1.98 0.00 0.00 0.00 173.10 177.24 2rgk h MET 399 N -2.92 -0.53 0.11 2.90 4.05 -1.90 0.65 114.93 117.30 2rgk h MET 399 Ca -0.60 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 58.88 2rgk h MET 399 Cb 1.34 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 32.22 2rgk h MET 399 CO 0.46 -0.35 -0.37 0.00 0.23 0.00 0.00 176.91 176.88 2rgk h ALA 400 N -0.71 -0.64 -0.54 0.39 0.00 -1.94 -0.68 119.26 115.14 2rgk h ALA 400 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2rgk h ALA 400 Cb 0.57 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2rgk h ALA 400 CO -0.26 -0.92 0.13 -1.35 0.00 0.00 0.00 179.25 176.85 2rgk h PRO 401 N -0.60 0.26 -0.57 0.00 0.11 -1.86 -1.04 132.00 128.31 2rgk h PRO 401 Ca 0.03 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2rgk h PRO 401 Cb 0.63 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 2rgk h PRO 401 CO -0.22 0.18 0.29 0.00 -0.21 0.00 0.00 178.00 178.04 2rgk h ALA 402 N 1.41 0.73 -0.43 -0.75 0.00 0.71 0.56 119.26 121.50 2rgk h ALA 402 Ca 0.27 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2rgk h ALA 402 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2rgk h ALA 402 CO -0.34 0.27 -0.06 0.28 0.00 0.00 0.00 179.25 179.41 2rgk h VAL 403 N 0.77 1.27 0.00 0.00 2.07 -0.79 -1.30 116.25 118.27 2rgk h VAL 403 Ca 0.20 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 2rgk h VAL 403 Cb 0.09 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2rgk h VAL 403 CO -0.03 0.39 -0.21 0.00 0.02 0.00 0.00 177.57 177.74 2rgk h ALA 404 N 0.87 1.35 -0.00 1.67 0.00 -0.94 0.40 119.26 122.61 2rgk h ALA 404 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2rgk h ALA 404 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2rgk h ALA 404 CO 0.03 0.26 -0.00 0.00 0.00 0.00 0.00 179.25 179.54 2rgk n ALA 405 N -2.36 2.65 -1.75 0.00 0.00 0.17 -4.89 120.51 114.33 2rgk n ALA 405 Ca -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 2rgk n ALA 405 Cb 0.30 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 2rgk n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rgk n GLY 406 N 1.06 0.37 0.48 0.00 0.00 0.13 -4.95 105.19 102.28 2rgk n GLY 406 Ca 0.22 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.52 2rgk n GLY 406 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rgk n LEU 407 N -0.51 1.42 -4.68 0.99 4.77 -0.53 -4.86 117.00 113.59 2rgk n LEU 407 Ca -0.04 -0.66 -0.45 0.00 -0.03 0.00 0.00 56.01 54.83 2rgk n LEU 407 Cb 0.40 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2rgk n LEU 407 CO 0.05 0.33 1.43 -0.11 -1.33 0.00 0.00 177.39 177.77 2rgk n LEU 408 N 0.21 3.70 -0.22 2.23 7.94 -1.26 -1.23 117.00 128.38 2rgk n LEU 408 Ca 0.12 1.00 -0.03 0.00 -1.11 0.00 0.00 56.01 55.99 2rgk n LEU 408 Cb 0.25 -1.47 -0.01 0.00 0.53 0.00 0.00 43.42 42.72 2rgk n LEU 408 CO 0.09 0.02 -0.03 0.47 -1.11 0.00 0.00 177.39 176.84 2rgk n ASP 409 N 5.62 -5.21 -0.33 1.96 8.00 0.04 -4.88 116.55 121.75 2rgk n ASP 409 Ca 0.19 0.07 0.21 0.00 0.71 0.00 0.00 54.79 55.97 2rgk n ASP 409 Cb 0.34 -2.96 0.42 0.00 -0.02 0.00 0.00 41.12 38.90 2rgk n ASP 409 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2rgk h ILE 410 N 0.00 0.37 -0.66 0.53 6.09 -1.31 0.10 117.51 122.63 2rgk h ILE 410 Ca -0.06 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 2rgk h ILE 410 Cb 0.81 -0.04 0.00 0.00 0.47 0.00 0.00 36.82 38.05 2rgk h ILE 410 CO 0.09 0.07 0.00 0.59 -3.07 0.00 0.00 178.15 175.82 2rgk n ASN 411 N -5.03 3.63 -4.91 2.19 3.02 -1.26 -4.98 115.26 107.92 2rgk n ASN 411 Ca 0.29 -2.00 -0.30 0.00 -0.03 0.00 0.00 54.58 52.54 2rgk n ASN 411 Cb 0.87 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 2rgk n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rgk s ALA 412 N -1.12 3.86 0.00 5.41 0.00 0.02 -4.79 121.76 125.13 2rgk s ALA 412 Ca 0.45 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2rgk s ALA 412 Cb 0.24 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2rgk s ALA 412 CO 0.31 0.64 0.30 1.63 0.00 0.00 0.00 175.76 178.64