#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og6 n VAL 2 N 0.00 2.81 -0.85 4.08 0.24 -1.25 -4.94 118.33 118.42 1og6 n VAL 2 Ca 0.00 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.34 61.58 1og6 n VAL 2 Cb 0.00 -1.05 0.14 0.00 -1.47 0.00 0.00 33.84 31.46 1og6 n VAL 2 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1og6 n GLN 3 N -1.54 -0.21 -3.75 7.34 7.27 -1.26 -4.78 117.38 120.45 1og6 n GLN 3 Ca 0.13 -0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.99 1og6 n GLN 3 Cb 0.49 -2.18 -0.02 0.00 2.41 0.00 0.00 30.24 30.94 1og6 n GLN 3 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1og6 s ARG 4 N -4.06 3.00 -0.30 3.69 1.81 -1.26 -0.93 118.95 120.90 1og6 s ARG 4 Ca 0.65 -1.08 -0.16 0.00 -1.72 0.00 0.00 55.73 53.42 1og6 s ARG 4 Cb -0.25 -2.67 0.16 0.00 -0.45 0.00 0.00 34.95 31.75 1og6 s ARG 4 CO 0.59 0.17 1.03 -1.50 -0.68 0.00 0.00 175.30 174.92 1og6 s ILE 5 N -2.19 -0.26 -0.62 1.52 2.07 -0.21 -4.66 121.20 116.85 1og6 s ILE 5 Ca 0.40 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.40 1og6 s ILE 5 Cb -0.08 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.56 1og6 s ILE 5 CO 0.28 0.00 1.01 -0.89 -1.91 0.00 0.00 174.94 173.43 1og6 s THR 6 N 1.94 4.26 -0.36 4.00 2.01 -1.26 -0.13 115.64 126.10 1og6 s THR 6 Ca -0.05 0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.13 1og6 s THR 6 Cb -0.04 -4.65 0.10 0.00 0.01 0.00 0.00 72.50 67.91 1og6 s THR 6 CO -0.16 -1.35 1.21 2.30 -0.69 0.00 0.00 174.62 175.92 1og6 n ILE 7 N 6.14 1.09 -3.62 1.82 -5.35 -0.61 -4.80 119.36 114.03 1og6 n ILE 7 Ca 0.00 0.64 -0.04 0.00 -0.27 0.00 0.00 62.75 63.08 1og6 n ILE 7 Cb 0.47 -1.64 -0.01 0.00 -1.74 0.00 0.00 39.64 36.71 1og6 n ILE 7 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1og6 s ALA 8 N -3.14 -1.92 -0.01 -1.28 0.00 -1.26 -0.08 121.76 114.07 1og6 s ALA 8 Ca -0.01 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 1og6 s ALA 8 Cb 0.03 0.36 -0.08 0.00 0.00 0.00 0.00 23.12 23.42 1og6 s ALA 8 CO 0.09 -0.85 2.00 -2.14 0.00 0.00 0.00 175.76 174.86 1og6 s PRO 9 N -2.86 3.96 0.00 0.00 0.02 -1.26 0.36 135.00 135.22 1og6 s PRO 9 Ca 0.10 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1og6 s PRO 9 Cb 0.00 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.33 1og6 s PRO 9 CO -0.04 -1.16 0.00 1.04 -0.33 0.00 0.00 177.00 176.51 1og6 n GLN 10 N 7.75 0.00 -1.69 5.54 6.02 -1.26 -4.66 117.38 129.07 1og6 n GLN 10 Ca 0.22 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.91 1og6 n GLN 10 Cb 0.42 -2.56 0.18 0.00 1.02 0.00 0.00 30.24 29.30 1og6 n GLN 10 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1og6 s GLY 11 N -2.00 1.69 0.98 1.08 0.00 0.16 -5.05 107.32 104.18 1og6 s GLY 11 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 44.72 43.57 1og6 s GLY 11 CO 0.00 -0.27 1.16 2.56 0.00 0.00 0.00 173.10 176.55 1og6 s PRO 12 N -5.68 0.59 -0.30 2.90 0.04 -1.26 -4.69 135.00 126.60 1og6 s PRO 12 Ca 0.71 0.13 -0.00 0.00 0.04 0.00 0.00 61.00 61.88 1og6 s PRO 12 Cb -0.07 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.74 1og6 s PRO 12 CO 0.53 -2.54 -0.02 -2.00 0.04 0.00 0.00 177.00 173.01 1og6 s GLU 13 N -5.37 2.31 0.54 4.56 2.12 -1.26 -1.57 118.70 120.03 1og6 s GLU 13 Ca 0.67 -1.34 0.08 0.00 0.36 0.00 0.00 54.97 54.74 1og6 s GLU 13 Cb -0.12 -3.12 0.08 0.00 0.26 0.00 0.00 34.13 31.23 1og6 s GLU 13 CO 0.54 -0.64 0.70 1.19 -0.54 0.00 0.00 175.26 176.51 1og6 n PHE 14 N 4.55 -2.11 -3.43 5.30 3.72 0.81 -4.81 117.46 121.49 1og6 n PHE 14 Ca -0.12 -2.00 -0.37 0.00 -0.05 0.00 0.00 57.45 54.90 1og6 n PHE 14 Cb 0.43 -0.50 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 1og6 n PHE 14 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1og6 s SER 15 N -4.31 6.60 0.23 4.37 1.04 -1.26 -1.05 113.70 119.33 1og6 s SER 15 Ca 0.53 0.71 0.08 0.00 0.48 0.00 0.00 55.95 57.75 1og6 s SER 15 Cb -0.04 -2.24 0.73 0.00 0.10 0.00 0.00 66.02 64.57 1og6 s SER 15 CO 0.34 0.09 1.08 -1.14 0.98 0.00 0.00 173.24 174.59 1og6 n ARG 16 N 3.36 -0.05 -4.27 4.02 3.00 -0.10 -4.15 116.66 118.47 1og6 n ARG 16 Ca -0.10 0.99 -0.33 0.00 -0.00 0.00 0.00 57.85 58.41 1og6 n ARG 16 Cb 0.52 -1.68 -0.09 0.00 0.00 0.00 0.00 32.46 31.22 1og6 n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1og6 s PHE 17 N -5.32 3.14 0.17 -0.14 0.40 -1.26 -3.57 117.98 111.39 1og6 s PHE 17 Ca -0.08 0.14 0.10 0.00 -0.60 0.00 0.00 56.93 56.49 1og6 s PHE 17 Cb 0.22 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1og6 s PHE 17 CO 0.54 0.48 -0.18 0.08 0.70 0.00 0.00 175.22 176.84 1og6 s VAL 18 N -1.05 2.73 -0.21 -0.44 1.01 0.00 -4.40 120.40 118.04 1og6 s VAL 18 Ca 0.18 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.30 1og6 s VAL 18 Cb -0.12 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1og6 s VAL 18 CO 0.08 -0.06 0.07 -0.32 0.00 0.00 0.00 175.10 174.87 1og6 s MET 19 N -2.59 3.82 -0.23 2.72 1.75 0.43 0.48 119.30 125.69 1og6 s MET 19 Ca 0.21 -0.41 -0.09 0.00 -1.25 0.00 0.00 55.69 54.15 1og6 s MET 19 Cb -0.09 -3.27 -0.05 0.00 2.84 0.00 0.00 34.83 34.27 1og6 s MET 19 CO 0.11 0.05 0.13 0.20 -0.65 0.00 0.00 175.02 174.86 1og6 s GLY 20 N 0.98 1.94 -0.22 2.11 0.00 1.00 0.36 107.32 113.49 1og6 s GLY 20 Ca 0.04 -0.88 0.15 0.00 0.00 0.00 0.00 44.72 44.03 1og6 s GLY 20 CO 0.03 0.33 1.63 -1.72 0.00 0.00 0.00 173.10 173.37 1og6 n TYR 21 N 4.18 1.67 0.08 1.90 4.02 -0.78 -4.53 117.16 123.70 1og6 n TYR 21 Ca -0.15 -0.80 0.02 0.00 -0.01 0.00 0.00 57.90 56.95 1og6 n TYR 21 Cb 0.52 -0.45 0.37 0.00 -0.02 0.00 0.00 39.34 39.77 1og6 n TYR 21 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1og6 h TRP 22 N 3.14 0.35 -0.69 -0.72 7.01 -1.94 -2.42 115.95 120.67 1og6 h TRP 22 Ca 0.01 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1og6 h TRP 22 Cb 1.79 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 28.75 1og6 h TRP 22 CO 0.88 0.40 0.00 0.54 -2.79 0.00 0.00 178.44 177.47 1og6 n ARG 23 N -4.30 2.63 -0.31 2.65 1.74 -1.26 -4.17 116.66 113.65 1og6 n ARG 23 Ca 0.00 -2.49 0.15 0.00 -0.77 0.00 0.00 57.85 54.74 1og6 n ARG 23 Cb 0.24 -1.55 0.33 0.00 -1.02 0.00 0.00 32.46 30.46 1og6 n ARG 23 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1og6 h LEU 24 N 4.03 0.14 -1.08 0.55 5.85 -1.74 0.40 115.31 123.47 1og6 h LEU 24 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1og6 h LEU 24 Cb 0.94 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1og6 h LEU 24 CO 0.01 -0.14 0.00 0.23 -0.34 0.00 0.00 178.44 178.20 1og6 n MET 25 N -5.18 0.16 0.00 1.25 2.81 -1.26 -1.13 117.12 113.77 1og6 n MET 25 Ca 0.24 0.54 0.11 0.00 -1.81 0.00 0.00 57.70 56.78 1og6 n MET 25 Cb 0.75 -1.91 0.01 0.00 -0.71 0.00 0.00 33.22 31.36 1og6 n MET 25 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1og6 n ASP 26 N -2.22 1.02 0.04 7.83 9.92 0.14 -4.00 116.55 129.28 1og6 n ASP 26 Ca 0.00 -0.88 0.12 0.00 -0.53 0.00 0.00 54.79 53.50 1og6 n ASP 26 Cb 0.12 0.70 0.50 0.00 -0.64 0.00 0.00 41.12 41.80 1og6 n ASP 26 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1og6 n TRP 27 N -1.25 0.33 -3.68 1.24 8.01 -0.29 -4.92 117.44 116.89 1og6 n TRP 27 Ca 0.06 0.10 -0.29 0.00 -1.31 0.00 0.00 57.50 56.06 1og6 n TRP 27 Cb 0.35 -0.67 0.04 0.00 -2.01 0.00 0.00 31.31 29.02 1og6 n TRP 27 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1og6 n ASN 28 N -1.78 -4.52 -4.86 -0.99 5.03 -1.25 -4.98 115.26 101.91 1og6 n ASN 28 Ca 0.06 -0.97 -0.24 0.00 0.87 0.00 0.00 54.58 54.29 1og6 n ASN 28 Cb 0.33 -3.55 -0.03 0.00 -1.02 0.00 0.00 39.78 35.51 1og6 n ASN 28 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1og6 s MET 29 N -5.92 2.35 0.04 3.52 -1.94 -1.26 -5.10 119.30 110.99 1og6 s MET 29 Ca 0.38 -1.80 0.03 0.00 -1.71 0.00 0.00 55.69 52.59 1og6 s MET 29 Cb -0.13 -2.18 -0.02 0.00 2.01 0.00 0.00 34.83 34.51 1og6 s MET 29 CO 0.85 -0.36 -0.10 -1.54 -0.01 0.00 0.00 175.02 173.86 1og6 s SER 30 N -4.15 1.17 0.38 3.03 1.04 -1.26 -4.95 113.70 108.96 1og6 s SER 30 Ca 0.41 -0.47 0.23 0.00 0.48 0.00 0.00 55.95 56.60 1og6 s SER 30 Cb -0.01 -0.03 1.33 0.00 0.10 0.00 0.00 66.02 67.41 1og6 s SER 30 CO 0.24 -0.08 1.60 0.00 0.98 0.00 0.00 173.24 175.98 1og6 h ALA 31 N 4.81 2.30 -0.50 5.32 0.00 -1.94 1.01 119.26 130.25 1og6 h ALA 31 Ca -0.36 0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1og6 h ALA 31 Cb 1.19 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1og6 h ALA 31 CO 0.43 -1.02 0.27 -0.09 0.00 0.00 0.00 179.25 178.84 1og6 h ARG 32 N 0.08 0.52 0.04 0.00 9.65 -1.95 -1.76 114.38 120.95 1og6 h ARG 32 Ca 0.83 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.67 1og6 h ARG 32 Cb 2.26 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.72 1og6 h ARG 32 CO -0.65 0.34 -0.02 1.96 2.80 0.00 0.00 179.97 184.41 1og6 h GLN 33 N 0.54 -0.05 -0.19 0.20 4.20 0.50 -3.29 115.11 117.01 1og6 h GLN 33 Ca 0.21 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.98 1og6 h GLN 33 Cb 0.08 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1og6 h GLN 33 CO -0.13 0.62 0.38 1.25 -0.67 0.00 0.00 178.83 180.27 1og6 h LEU 34 N -0.86 0.00 -0.11 1.46 5.85 -0.62 0.30 115.31 121.33 1og6 h LEU 34 Ca -0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1og6 h LEU 34 Cb 0.69 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1og6 h LEU 34 CO 0.01 0.00 -0.44 0.58 -0.34 0.00 0.00 178.44 178.25 1og6 h VAL 35 N 0.00 0.77 0.00 1.05 2.07 -1.39 -1.79 116.25 116.96 1og6 h VAL 35 Ca 0.09 -2.02 -0.06 0.00 0.82 0.00 0.00 66.70 65.52 1og6 h VAL 35 Cb 0.84 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1og6 h VAL 35 CO -0.00 0.43 -0.65 0.28 0.02 0.00 0.00 177.57 177.65 1og6 h SER 36 N 0.00 0.00 0.06 0.57 0.02 -0.54 -2.54 113.55 111.12 1og6 h SER 36 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1og6 h SER 36 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1og6 h SER 36 CO 0.06 0.27 -0.03 0.15 -1.14 0.00 0.00 176.83 176.13 1og6 h PHE 37 N 0.00 -0.08 -0.87 3.45 3.57 -1.27 -2.18 116.94 119.56 1og6 h PHE 37 Ca -0.03 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.57 1og6 h PHE 37 Cb 1.23 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.92 1og6 h PHE 37 CO 0.00 0.51 0.51 0.82 -2.23 0.00 0.00 178.31 177.92 1og6 h ILE 38 N -0.88 0.91 -0.79 1.41 2.04 -1.42 -1.03 117.51 117.75 1og6 h ILE 38 Ca -0.01 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1og6 h ILE 38 Cb 0.62 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1og6 h ILE 38 CO 0.01 0.15 0.32 -0.33 0.00 0.00 0.00 178.15 178.31 1og6 h GLU 39 N 0.84 1.16 -0.04 2.37 5.08 -1.50 -2.87 114.58 119.63 1og6 h GLU 39 Ca 0.42 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1og6 h GLU 39 Cb 0.40 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1og6 h GLU 39 CO -0.25 0.93 -0.13 0.93 -1.00 0.00 0.00 179.01 179.49 1og6 h GLU 40 N 1.14 0.16 -0.32 2.33 5.08 -0.58 -2.54 114.58 119.85 1og6 h GLU 40 Ca 0.26 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1og6 h GLU 40 Cb 0.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1og6 h GLU 40 CO -0.02 0.74 -0.22 1.12 -1.00 0.00 0.00 179.01 179.63 1og6 h HIS 41 N -0.40 0.69 0.00 4.33 2.07 -1.28 0.02 115.15 120.58 1og6 h HIS 41 Ca -0.01 -0.15 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 1og6 h HIS 41 Cb 0.76 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 30.57 1og6 h HIS 41 CO 0.13 0.79 0.00 1.47 -3.07 0.00 0.00 177.93 177.25 1og6 n LEU 42 N -4.12 0.67 0.20 6.12 -0.00 -1.08 -1.09 117.00 117.69 1og6 n LEU 42 Ca 0.00 0.58 0.12 0.00 -0.00 0.00 0.00 56.01 56.71 1og6 n LEU 42 Cb 0.41 -0.40 0.17 0.00 -0.00 0.00 0.00 43.42 43.60 1og6 n LEU 42 CO 0.43 -0.24 0.75 0.44 -0.00 0.00 0.00 177.39 178.76 1og6 h ASP 43 N 0.00 0.00 0.71 1.45 3.45 -0.85 -2.72 116.42 118.47 1og6 h ASP 43 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1og6 h ASP 43 Cb 0.62 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1og6 h ASP 43 CO 0.00 0.00 -0.43 -0.11 -1.57 0.00 0.00 179.24 177.13 1og6 n LEU 44 N -3.02 0.48 0.00 1.55 7.94 -0.10 -4.94 117.00 118.91 1og6 n LEU 44 Ca 0.04 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1og6 n LEU 44 Cb 0.53 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.20 1og6 n LEU 44 CO 0.34 0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.28 1og6 n GLY 45 N 1.45 2.50 3.56 -3.96 0.00 -0.79 -3.81 105.19 104.14 1og6 n GLY 45 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1og6 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1og6 s VAL 46 N -2.29 3.42 -2.78 1.61 1.01 -0.42 -4.52 120.40 116.43 1og6 s VAL 46 Ca 0.00 -0.33 0.24 0.00 0.00 0.00 0.00 61.98 61.89 1og6 s VAL 46 Cb 0.00 -3.94 0.30 0.00 0.00 0.00 0.00 36.38 32.74 1og6 s VAL 46 CO 0.00 -0.88 1.35 0.35 0.00 0.00 0.00 175.10 175.92 1og6 n THR 47 N 7.92 0.16 -4.27 3.92 -2.24 -1.26 -3.36 114.28 115.14 1og6 n THR 47 Ca 0.40 -0.55 -0.34 0.00 -2.27 0.00 0.00 64.05 61.29 1og6 n THR 47 Cb 0.47 1.23 -0.12 0.00 -2.10 0.00 0.00 70.33 69.80 1og6 n THR 47 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1og6 s THR 48 N -1.84 3.83 -0.10 4.28 2.01 -1.26 -0.78 115.64 121.78 1og6 s THR 48 Ca 0.32 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1og6 s THR 48 Cb 0.21 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 1og6 s THR 48 CO 0.31 0.47 -0.09 0.68 -0.69 0.00 0.00 174.62 175.29 1og6 s VAL 49 N 0.66 3.46 -0.27 3.82 -7.23 -0.52 -0.43 120.40 119.90 1og6 s VAL 49 Ca -0.02 -0.55 -0.06 0.00 -1.81 0.00 0.00 61.98 59.55 1og6 s VAL 49 Cb -0.14 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1og6 s VAL 49 CO 0.02 0.56 0.04 -0.62 -0.31 0.00 0.00 175.10 174.79 1og6 s ASP 50 N -0.27 4.90 0.28 4.85 2.15 0.16 -0.81 116.67 127.92 1og6 s ASP 50 Ca 0.03 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.48 1og6 s ASP 50 Cb -0.13 -1.85 -0.00 0.00 -0.30 0.00 0.00 42.92 40.65 1og6 s ASP 50 CO 0.03 -0.12 0.01 1.41 -0.17 0.00 0.00 175.17 176.33 1og6 n HIS 51 N 4.85 0.61 -3.59 -5.34 8.25 0.23 -1.86 115.22 118.36 1og6 n HIS 51 Ca -0.16 -1.42 -0.11 0.00 -0.26 0.00 0.00 57.72 55.78 1og6 n HIS 51 Cb 0.49 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 1og6 n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1og6 s ALA 52 N -2.50 -1.93 0.20 -1.41 0.00 -1.26 -3.55 121.76 111.30 1og6 s ALA 52 Ca 0.01 1.67 -0.16 0.00 0.00 0.00 0.00 51.96 53.49 1og6 s ALA 52 Cb 0.00 -0.91 0.19 0.00 0.00 0.00 0.00 23.12 22.40 1og6 s ALA 52 CO 0.01 -0.29 1.34 -3.47 0.00 0.00 0.00 175.76 173.35 1og6 n ASP 53 N 1.31 -0.58 0.03 0.00 2.03 -0.77 -2.79 116.55 115.78 1og6 n ASP 53 Ca -0.12 1.51 -0.18 0.00 0.52 0.00 0.00 54.79 56.53 1og6 n ASP 53 Cb 0.57 -0.34 -0.14 0.00 -0.72 0.00 0.00 41.12 40.49 1og6 n ASP 53 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1og6 h ILE 54 N 0.00 0.91 -0.22 5.18 3.07 -1.91 -3.42 117.51 121.13 1og6 h ILE 54 Ca 0.29 -2.60 -0.18 0.00 1.55 0.00 0.00 64.86 63.92 1og6 h ILE 54 Cb 0.51 2.62 0.01 0.00 -0.27 0.00 0.00 36.82 39.69 1og6 h ILE 54 CO -0.86 0.79 0.05 -1.22 -1.05 0.00 0.00 178.15 175.86 1og6 n TYR 55 N -3.41 0.20 -3.13 0.16 4.01 -1.12 0.14 117.16 114.02 1og6 n TYR 55 Ca -0.22 0.23 -0.14 0.00 -0.16 0.00 0.00 57.90 57.62 1og6 n TYR 55 Cb 1.05 -0.46 0.07 0.00 -0.31 0.00 0.00 39.34 39.69 1og6 n TYR 55 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1og6 n GLY 56 N 0.47 -0.30 3.70 2.72 0.00 -1.26 -2.04 105.19 108.48 1og6 n GLY 56 Ca 0.05 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1og6 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1og6 n GLY 57 N -1.13 -0.52 2.97 -0.02 0.00 -1.13 -2.17 105.19 103.18 1og6 n GLY 57 Ca -0.21 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1og6 n GLY 57 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1og6 n TYR 58 N -4.81 -1.98 -2.09 1.61 4.01 0.38 -4.92 117.16 109.36 1og6 n TYR 58 Ca 0.02 0.66 -0.02 0.00 -0.16 0.00 0.00 57.90 58.40 1og6 n TYR 58 Cb 0.55 -3.93 -0.02 0.00 -0.31 0.00 0.00 39.34 35.62 1og6 n TYR 58 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1og6 n GLN 59 N -3.70 0.00 0.01 -0.72 10.64 -0.92 -4.84 117.38 117.84 1og6 n GLN 59 Ca -0.02 -0.88 -0.07 0.00 -1.83 0.00 0.00 57.00 54.20 1og6 n GLN 59 Cb 0.56 0.09 -0.12 0.00 -0.86 0.00 0.00 30.24 29.91 1og6 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1og6 h GLU 61 N 0.00 0.05 -0.14 0.00 5.08 -1.84 -2.43 114.58 115.30 1og6 h GLU 61 Ca -0.20 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1og6 h GLU 61 Cb 1.88 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.07 1og6 h GLU 61 CO 0.08 0.48 -0.25 0.00 -1.00 0.00 0.00 179.01 178.32 1og6 h ALA 62 N 0.57 -0.22 -0.55 3.43 0.00 -1.74 -1.12 119.26 119.64 1og6 h ALA 62 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1og6 h ALA 62 Cb 0.46 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1og6 h ALA 62 CO 0.00 -0.71 0.36 0.00 0.00 0.00 0.00 179.25 178.91 1og6 h ALA 63 N 0.64 1.88 0.00 0.00 0.00 -1.55 0.46 119.26 120.69 1og6 h ALA 63 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1og6 h ALA 63 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1og6 h ALA 63 CO -0.32 0.03 -0.18 0.35 0.00 0.00 0.00 179.25 179.13 1og6 h PHE 64 N 0.49 0.00 0.00 0.00 3.57 -0.85 -3.08 116.94 117.07 1og6 h PHE 64 Ca 0.24 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 1og6 h PHE 64 Cb 0.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1og6 h PHE 64 CO -0.00 0.18 -0.73 0.78 -2.23 0.00 0.00 178.31 176.31 1og6 h GLY 65 N 3.02 0.00 0.69 2.40 0.00 0.31 -2.72 103.07 106.77 1og6 h GLY 65 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1og6 h GLY 65 CO 0.02 0.00 -0.08 0.83 0.00 0.00 0.00 176.54 177.32 1og6 h GLU 66 N 0.00 0.24 -0.95 4.80 4.39 -1.37 -0.23 114.58 121.46 1og6 h GLU 66 Ca -0.01 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.63 1og6 h GLU 66 Cb 1.44 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.03 1og6 h GLU 66 CO 0.09 0.62 0.62 0.00 -1.16 0.00 0.00 179.01 179.18 1og6 h ALA 67 N 0.61 1.45 -0.25 3.43 0.00 -1.58 -1.80 119.26 121.12 1og6 h ALA 67 Ca 0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1og6 h ALA 67 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1og6 h ALA 67 CO 0.02 0.42 -0.44 -0.07 0.00 0.00 0.00 179.25 179.19 1og6 h LEU 68 N 1.12 0.68 0.00 0.00 4.07 -1.32 -2.78 115.31 117.08 1og6 h LEU 68 Ca 0.40 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1og6 h LEU 68 Cb 0.14 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1og6 h LEU 68 CO -0.15 1.02 0.00 0.29 -1.08 0.00 0.00 178.44 178.53 1og6 n LYS 69 N -4.02 0.15 -0.00 1.13 5.02 -0.11 -1.21 118.16 119.12 1og6 n LYS 69 Ca -0.02 0.16 0.09 0.00 -2.02 0.00 0.00 58.31 56.52 1og6 n LYS 69 Cb 0.54 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.94 1og6 n LYS 69 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1og6 n LEU 70 N -1.36 0.80 -3.21 -0.35 4.77 -0.98 -4.61 117.00 112.05 1og6 n LEU 70 Ca 0.07 -0.45 -0.23 0.00 -0.03 0.00 0.00 56.01 55.36 1og6 n LEU 70 Cb 0.16 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1og6 n LEU 70 CO 0.14 0.20 -0.24 0.00 -1.33 0.00 0.00 177.39 176.16 1og6 n ALA 71 N -1.51 2.58 0.03 -1.18 0.00 -0.35 -5.00 120.51 115.07 1og6 n ALA 71 Ca 0.03 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1og6 n ALA 71 Cb 0.31 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1og6 n ALA 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1og6 n PRO 72 N 1.10 0.03 0.00 0.00 -0.04 -1.11 -1.85 135.00 133.12 1og6 n PRO 72 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1og6 n PRO 72 Cb 0.54 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1og6 n PRO 72 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1og6 n HIS 73 N 0.79 0.00 0.06 0.54 1.44 -1.26 -4.83 115.22 111.96 1og6 n HIS 73 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1og6 n HIS 73 Cb 0.01 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 29.98 1og6 n HIS 73 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1og6 h LEU 74 N 0.00 0.55 -1.97 2.39 3.38 -1.71 -3.38 115.31 114.57 1og6 h LEU 74 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1og6 h LEU 74 Cb 0.29 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1og6 h LEU 74 CO 0.00 1.67 0.00 -1.14 0.09 0.00 0.00 178.44 179.06 1og6 n ARG 75 N -3.80 0.22 0.00 1.13 0.00 -1.26 -1.47 116.66 111.47 1og6 n ARG 75 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.63 1og6 n ARG 75 Cb 0.98 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 32.06 1og6 n ARG 75 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1og6 n GLU 76 N 0.87 2.30 0.07 -0.14 2.13 -1.26 -4.65 120.64 119.97 1og6 n GLU 76 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1og6 n GLU 76 Cb 0.11 -0.84 0.47 0.00 0.27 0.00 0.00 31.44 31.45 1og6 n GLU 76 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1og6 n ARG 77 N -1.63 0.15 -4.35 5.31 1.74 -0.55 -4.85 116.66 112.48 1og6 n ARG 77 Ca 0.00 0.18 -0.24 0.00 -0.77 0.00 0.00 57.85 57.02 1og6 n ARG 77 Cb 0.34 -1.70 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 1og6 n ARG 77 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1og6 s MET 78 N -3.09 2.02 -0.19 5.56 0.23 -1.22 -4.78 119.30 117.83 1og6 s MET 78 Ca 0.10 -1.49 -0.01 0.00 -1.03 0.00 0.00 55.69 53.26 1og6 s MET 78 Cb 0.14 -2.03 0.00 0.00 -1.53 0.00 0.00 34.83 31.41 1og6 s MET 78 CO 0.52 0.37 -0.12 -1.21 -2.03 0.00 0.00 175.02 172.55 1og6 s GLU 79 N -3.37 3.23 -0.26 3.16 8.01 0.04 -4.95 118.70 124.56 1og6 s GLU 79 Ca 0.29 -0.72 -0.11 0.00 0.01 0.00 0.00 54.97 54.44 1og6 s GLU 79 Cb -0.07 -2.77 -0.05 0.00 -4.31 0.00 0.00 34.13 26.94 1og6 s GLU 79 CO 0.17 -0.12 0.18 0.42 0.01 0.00 0.00 175.26 175.92 1og6 s ILE 80 N 1.19 5.33 -0.12 -1.63 1.01 -1.26 -1.44 121.20 124.28 1og6 s ILE 80 Ca 0.02 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.83 1og6 s ILE 80 Cb -0.14 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1og6 s ILE 80 CO -0.05 0.30 0.01 -0.69 0.00 0.00 0.00 174.94 174.51 1og6 s VAL 81 N 1.40 4.35 0.15 2.92 1.01 0.01 -1.71 120.40 128.53 1og6 s VAL 81 Ca 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1og6 s VAL 81 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1og6 s VAL 81 CO 0.08 0.56 0.14 -0.55 0.00 0.00 0.00 175.10 175.33 1og6 s SER 82 N -0.40 0.20 0.31 3.32 0.15 -0.90 -0.60 113.70 115.78 1og6 s SER 82 Ca 0.08 -1.12 0.03 0.00 0.70 0.00 0.00 55.95 55.64 1og6 s SER 82 Cb -0.12 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1og6 s SER 82 CO 0.02 -0.80 0.13 -0.54 1.20 0.00 0.00 173.24 173.25 1og6 s LYS 83 N -4.04 1.61 -0.17 5.44 1.02 -1.23 -1.08 119.74 121.29 1og6 s LYS 83 Ca 0.24 -1.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.00 1og6 s LYS 83 Cb 0.06 -0.28 0.13 0.00 -0.52 0.00 0.00 37.83 37.22 1og6 s LYS 83 CO 0.03 -0.40 1.02 0.00 -0.92 0.00 0.00 175.35 175.08 1og6 n GLY 85 N 0.73 0.79 3.80 0.00 0.00 -1.26 -1.41 105.19 107.85 1og6 n GLY 85 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1og6 n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1og6 s ILE 86 N 0.00 4.47 -0.21 -0.61 1.01 -1.26 0.67 121.20 125.27 1og6 s ILE 86 Ca 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 1og6 s ILE 86 Cb 0.00 -3.32 0.07 0.00 0.01 0.00 0.00 42.46 39.22 1og6 s ILE 86 CO 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 174.94 174.85 1og6 s ALA 87 N -1.85 0.67 0.74 9.38 0.00 0.19 -4.69 121.76 126.20 1og6 s ALA 87 Ca 0.31 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 1og6 s ALA 87 Cb -0.09 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 21.90 1og6 s ALA 87 CO 0.24 -1.31 1.10 0.95 0.00 0.00 0.00 175.76 176.73 1og6 s THR 88 N 2.03 2.46 -2.22 0.00 -4.23 -1.26 -1.69 115.64 110.74 1og6 s THR 88 Ca 0.03 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.79 1og6 s THR 88 Cb -0.16 -3.12 0.59 0.00 1.34 0.00 0.00 72.50 71.15 1og6 s THR 88 CO -0.16 -0.14 1.77 0.35 -0.54 0.00 0.00 174.62 175.90 1og6 n THR 89 N -3.09 0.06 -0.14 3.99 -2.24 -1.26 -3.67 114.28 107.92 1og6 n THR 89 Ca 0.08 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1og6 n THR 89 Cb 0.60 0.09 0.22 0.00 -2.10 0.00 0.00 70.33 69.13 1og6 n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1og6 h ALA 90 N 4.02 1.30 -2.40 6.98 0.00 -1.93 -3.42 119.26 123.81 1og6 h ALA 90 Ca 0.00 -0.16 -0.51 0.00 0.00 0.00 0.00 54.91 54.25 1og6 h ALA 90 Cb 0.28 -0.24 0.09 0.00 0.00 0.00 0.00 17.79 17.93 1og6 h ALA 90 CO 0.00 0.52 0.37 1.03 0.00 0.00 0.00 179.25 181.16 1og6 s ARG 91 N -5.38 2.88 0.13 0.00 1.81 -1.24 -4.93 118.95 112.22 1og6 s ARG 91 Ca -0.10 1.27 0.25 0.00 -1.72 0.00 0.00 55.73 55.43 1og6 s ARG 91 Cb 0.16 -1.97 0.46 0.00 -0.45 0.00 0.00 34.95 33.16 1og6 s ARG 91 CO 0.79 -1.17 1.43 -1.91 -0.68 0.00 0.00 175.30 173.76 1og6 n GLU 92 N -2.52 0.27 0.06 3.54 2.13 -1.26 -3.57 120.64 119.29 1og6 n GLU 92 Ca 0.09 0.11 -0.10 0.00 0.66 0.00 0.00 57.16 57.92 1og6 n GLU 92 Cb 0.52 -1.70 -0.13 0.00 0.27 0.00 0.00 31.44 30.41 1og6 n GLU 92 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1og6 h GLU 93 N 0.00 0.09 -5.77 5.31 5.08 -1.93 -3.43 114.58 113.93 1og6 h GLU 93 Ca 0.00 -0.16 -0.63 0.00 -1.00 0.00 0.00 59.36 57.58 1og6 h GLU 93 Cb 0.73 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.91 1og6 h GLU 93 CO 0.00 1.01 0.37 -0.80 -1.00 0.00 0.00 179.01 178.59 1og6 s ASN 94 N -6.77 6.40 -0.12 1.42 0.01 -1.23 -4.90 114.94 109.74 1og6 s ASN 94 Ca -0.02 -0.15 -0.24 0.00 -0.71 0.00 0.00 52.86 51.74 1og6 s ASN 94 Cb 0.09 -2.39 -0.21 0.00 0.41 0.00 0.00 41.25 39.15 1og6 s ASN 94 CO 0.84 -0.95 0.68 0.58 -1.51 0.00 0.00 177.10 176.74 1og6 h VAL 95 N 5.98 1.44 -2.92 1.60 2.07 -1.86 -3.41 116.25 119.16 1og6 h VAL 95 Ca -0.25 -2.00 -0.60 0.00 0.82 0.00 0.00 66.70 64.67 1og6 h VAL 95 Cb 1.08 2.69 -0.10 0.00 -1.52 0.00 0.00 31.29 33.45 1og6 h VAL 95 CO 0.97 0.48 -0.62 -0.51 0.02 0.00 0.00 177.57 177.91 1og6 s ILE 96 N -2.30 4.13 -0.10 4.57 2.07 -1.26 -4.88 121.20 123.43 1og6 s ILE 96 Ca -0.16 -1.17 -0.30 0.00 -1.41 0.00 0.00 60.65 57.62 1og6 s ILE 96 Cb -0.02 -3.06 -0.02 0.00 0.13 0.00 0.00 42.46 39.49 1og6 s ILE 96 CO 0.57 -0.05 1.05 -0.83 -1.91 0.00 0.00 174.94 173.77 1og6 s GLY 97 N -2.85 2.29 0.00 1.50 0.00 -1.26 -4.71 107.32 102.29 1og6 s GLY 97 Ca 0.29 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1og6 s GLY 97 CO 0.21 1.99 0.00 -2.39 0.00 0.00 0.00 173.10 172.90 1og6 n HIS 98 N 5.07 -0.26 -4.35 1.90 1.44 -0.68 -4.99 115.22 113.34 1og6 n HIS 98 Ca 0.09 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.57 1og6 n HIS 98 Cb 0.48 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.51 1og6 n HIS 98 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1og6 s TYR 99 N -3.81 2.55 -0.28 -1.40 2.02 -1.26 0.57 117.35 115.73 1og6 s TYR 99 Ca 0.00 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1og6 s TYR 99 Cb 0.00 -1.18 0.13 0.00 -0.40 0.00 0.00 41.96 40.51 1og6 s TYR 99 CO 0.00 0.63 0.26 0.42 -1.57 0.00 0.00 175.55 175.29 1og6 s ILE 100 N -2.41 -0.34 -0.19 2.71 1.01 0.21 -4.83 121.20 117.36 1og6 s ILE 100 Ca 0.32 -0.51 0.15 0.00 0.00 0.00 0.00 60.65 60.60 1og6 s ILE 100 Cb -0.05 -0.97 0.44 0.00 0.01 0.00 0.00 42.46 41.89 1og6 s ILE 100 CO 0.18 -0.50 1.33 0.35 0.00 0.00 0.00 174.94 176.30 1og6 n THR 101 N 5.30 2.22 -2.49 2.92 -2.24 -1.26 -4.13 114.28 114.60 1og6 n THR 101 Ca -0.03 -2.36 -0.31 0.00 -2.27 0.00 0.00 64.05 59.08 1og6 n THR 101 Cb 0.46 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1og6 n THR 101 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1og6 s ASP 102 N -2.51 6.49 0.01 3.42 -4.77 -1.26 -4.43 116.67 113.62 1og6 s ASP 102 Ca 0.39 1.34 -0.01 0.00 -3.30 0.00 0.00 52.55 50.96 1og6 s ASP 102 Cb 0.34 -2.42 -0.01 0.00 -1.09 0.00 0.00 42.92 39.75 1og6 s ASP 102 CO 0.03 -0.57 1.02 -0.09 0.70 0.00 0.00 175.17 176.27 1og6 h ARG 103 N 0.77 -0.02 -1.18 2.11 2.43 -1.96 -1.98 114.38 114.56 1og6 h ARG 103 Ca -0.46 0.00 0.33 0.00 -0.81 0.00 0.00 59.98 59.04 1og6 h ARG 103 Cb 1.19 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.66 1og6 h ARG 103 CO 0.62 -0.01 0.80 -0.44 -1.51 0.00 0.00 179.97 179.43 1og6 h ASP 104 N -0.02 0.22 0.87 -3.80 3.32 -1.95 -0.65 116.42 114.41 1og6 h ASP 104 Ca 0.00 0.05 -0.23 0.00 0.02 0.00 0.00 57.03 56.88 1og6 h ASP 104 Cb 0.03 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1og6 h ASP 104 CO -0.03 0.01 -1.14 -0.74 -1.72 0.00 0.00 179.24 175.62 1og6 h HIS 105 N 0.18 0.09 0.00 4.55 2.76 -1.86 0.37 115.15 121.23 1og6 h HIS 105 Ca 0.63 -0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 58.66 1og6 h HIS 105 Cb 2.06 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 31.00 1og6 h HIS 105 CO -0.00 1.05 -0.35 0.82 -1.30 0.00 0.00 177.93 178.15 1og6 h ILE 106 N 0.01 0.95 0.13 6.26 2.04 -0.38 -1.85 117.51 124.67 1og6 h ILE 106 Ca -0.07 -1.37 -0.30 0.00 1.00 0.00 0.00 64.86 64.12 1og6 h ILE 106 Cb 1.84 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 39.72 1og6 h ILE 106 CO 0.14 0.35 -1.56 0.40 0.00 0.00 0.00 178.15 177.47 1og6 h ILE 107 N 0.00 0.95 -0.93 -0.67 2.04 -1.44 -2.95 117.51 114.51 1og6 h ILE 107 Ca -0.00 -2.41 0.09 0.00 1.00 0.00 0.00 64.86 63.54 1og6 h ILE 107 Cb 0.78 2.68 -0.07 0.00 -0.74 0.00 0.00 36.82 39.47 1og6 h ILE 107 CO 0.05 0.75 0.58 0.50 0.00 0.00 0.00 178.15 180.02 1og6 h LYS 108 N -0.19 0.95 0.00 2.37 3.64 -0.85 -2.01 116.57 120.49 1og6 h LYS 108 Ca -0.33 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.92 1og6 h LYS 108 Cb 1.86 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 1og6 h LYS 108 CO 0.08 0.63 -0.61 0.66 -2.27 0.00 0.00 179.45 177.94 1og6 h SER 109 N 0.98 0.00 -0.20 4.20 4.64 -1.47 -3.05 113.55 118.65 1og6 h SER 109 Ca 0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.66 1og6 h SER 109 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1og6 h SER 109 CO -0.22 0.29 -0.23 0.00 -0.87 0.00 0.00 176.83 175.81 1og6 h ALA 110 N 1.71 0.29 0.00 5.18 0.00 -1.23 -2.31 119.26 122.90 1og6 h ALA 110 Ca -0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1og6 h ALA 110 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1og6 h ALA 110 CO 0.03 0.25 -0.28 0.93 0.00 0.00 0.00 179.25 180.18 1og6 h GLU 111 N 0.16 0.00 -0.17 0.00 5.08 -1.47 -2.27 114.58 115.91 1og6 h GLU 111 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1og6 h GLU 111 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1og6 h GLU 111 CO 0.05 0.28 -0.11 0.37 -1.00 0.00 0.00 179.01 178.60 1og6 h GLN 112 N 0.00 0.38 -0.73 2.33 5.75 -1.41 -1.91 115.11 119.51 1og6 h GLN 112 Ca -0.00 -0.18 0.07 0.00 -0.15 0.00 0.00 58.65 58.39 1og6 h GLN 112 Cb 0.57 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.07 1og6 h GLN 112 CO 0.04 0.71 0.48 0.77 -2.65 0.00 0.00 178.83 178.18 1og6 h SER 113 N 0.04 0.65 -0.76 -0.69 0.02 -1.08 0.14 113.55 111.87 1og6 h SER 113 Ca 0.03 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1og6 h SER 113 Cb 0.62 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1og6 h SER 113 CO 0.03 0.41 0.36 -0.07 -1.14 0.00 0.00 176.83 176.42 1og6 h LEU 114 N 0.73 1.00 0.49 5.07 4.07 -1.10 -0.66 115.31 124.91 1og6 h LEU 114 Ca 0.32 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 1og6 h LEU 114 Cb 0.32 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1og6 h LEU 114 CO -0.11 0.86 -0.23 0.40 -1.08 0.00 0.00 178.44 178.28 1og6 h ILE 115 N 1.08 0.29 -0.82 1.22 2.04 -0.07 -2.72 117.51 118.53 1og6 h ILE 115 Ca 0.26 -0.50 0.13 0.00 1.00 0.00 0.00 64.86 65.75 1og6 h ILE 115 Cb 0.13 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 36.55 1og6 h ILE 115 CO -0.03 0.05 0.41 0.78 0.00 0.00 0.00 178.15 179.36 1og6 h ASN 116 N -1.04 0.50 -0.01 1.72 2.35 -0.79 -1.27 115.58 117.04 1og6 h ASN 116 Ca -0.07 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1og6 h ASN 116 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1og6 h ASN 116 CO 0.11 0.23 0.00 0.18 -1.65 0.00 0.00 177.43 176.30 1og6 n LEU 117 N -4.87 0.08 -3.87 1.61 4.77 -0.26 -3.48 117.00 110.97 1og6 n LEU 117 Ca 0.15 -0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.73 1og6 n LEU 117 Cb 0.39 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1og6 n LEU 117 CO 0.22 0.02 -0.14 0.00 -1.33 0.00 0.00 177.39 176.16 1og6 n ALA 118 N -0.46 -2.50 -3.48 -1.18 0.00 -0.48 -4.71 120.51 107.70 1og6 n ALA 118 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 52.99 1og6 n ALA 118 Cb 0.01 -3.24 -0.04 0.00 0.00 0.00 0.00 19.45 16.18 1og6 n ALA 118 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1og6 s THR 119 N -3.57 0.00 -0.92 0.00 -1.32 -1.03 -4.93 115.64 103.88 1og6 s THR 119 Ca 0.42 -1.23 0.12 0.00 -1.21 0.00 0.00 61.69 59.79 1og6 s THR 119 Cb -0.18 -2.13 0.34 0.00 -1.51 0.00 0.00 72.50 69.01 1og6 s THR 119 CO 0.91 0.00 1.28 -0.90 -2.21 0.00 0.00 174.62 173.70 1og6 n ASP 120 N -0.44 3.04 -3.58 8.08 5.75 -1.26 -4.49 116.55 123.66 1og6 n ASP 120 Ca -0.03 -2.07 -0.08 0.00 -0.01 0.00 0.00 54.79 52.60 1og6 n ASP 120 Cb 0.61 -0.26 -0.04 0.00 -1.03 0.00 0.00 41.12 40.39 1og6 n ASP 120 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1og6 s HIS 121 N -1.12 -0.29 0.11 2.11 -3.43 -1.26 -4.47 115.29 106.93 1og6 s HIS 121 Ca 0.26 0.43 0.06 0.00 -0.80 0.00 0.00 55.06 55.00 1og6 s HIS 121 Cb 0.14 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.73 1og6 s HIS 121 CO 0.16 -0.31 -0.01 -0.51 -2.00 0.00 0.00 174.74 172.06 1og6 s LEU 122 N -1.41 3.38 -0.02 5.38 1.43 -0.40 -4.95 118.68 122.08 1og6 s LEU 122 Ca 0.02 -0.25 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 1og6 s LEU 122 Cb -0.01 -2.10 -0.23 0.00 0.03 0.00 0.00 46.19 43.88 1og6 s LEU 122 CO -0.02 0.16 0.74 0.44 0.23 0.00 0.00 176.35 177.90 1og6 h ASP 123 N 3.30 0.07 -3.64 2.29 3.32 -1.67 -0.54 116.42 119.55 1og6 h ASP 123 Ca -0.48 -0.13 -0.24 0.00 0.02 0.00 0.00 57.03 56.20 1og6 h ASP 123 Cb 1.17 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 40.40 1og6 h ASP 123 CO 0.58 1.11 -0.68 -0.22 -1.72 0.00 0.00 179.24 178.32 1og6 s LEU 124 N -6.34 1.48 -0.23 1.55 0.20 -1.09 -1.19 118.68 113.06 1og6 s LEU 124 Ca -0.06 0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.88 1og6 s LEU 124 Cb 0.08 0.12 0.06 0.00 -0.43 0.00 0.00 46.19 46.02 1og6 s LEU 124 CO 0.82 -0.06 -0.07 -0.22 -0.29 0.00 0.00 176.35 176.53 1og6 s LEU 125 N 0.46 2.68 -0.06 -0.68 1.98 -0.47 -2.12 118.68 120.47 1og6 s LEU 125 Ca -0.04 -1.17 -0.09 0.00 -2.89 0.00 0.00 54.13 49.95 1og6 s LEU 125 Cb -0.05 -1.25 -0.05 0.00 0.66 0.00 0.00 46.19 45.50 1og6 s LEU 125 CO -0.02 -0.21 0.24 -0.76 -1.89 0.00 0.00 176.35 173.71 1og6 s LEU 126 N 1.34 4.41 -0.89 -0.68 1.02 -0.24 -1.60 118.68 122.03 1og6 s LEU 126 Ca -0.06 0.61 -0.21 0.00 0.02 0.00 0.00 54.13 54.50 1og6 s LEU 126 Cb -0.19 -2.35 0.09 0.00 0.02 0.00 0.00 46.19 43.77 1og6 s LEU 126 CO -0.06 0.35 1.19 -0.63 0.02 0.00 0.00 176.35 177.22 1og6 s ILE 127 N -1.11 4.38 0.09 -0.59 -1.09 -0.60 -2.03 121.20 120.26 1og6 s ILE 127 Ca 0.20 -1.03 -0.06 0.00 -2.23 0.00 0.00 60.65 57.54 1og6 s ILE 127 Cb -0.13 -4.84 0.10 0.00 -1.58 0.00 0.00 42.46 36.01 1og6 s ILE 127 CO 0.09 -1.63 0.56 1.57 -1.23 0.00 0.00 174.94 174.31 1og6 n HIS 128 N 7.54 0.03 -3.87 3.97 -0.00 -0.50 -2.54 115.22 119.85 1og6 n HIS 128 Ca 0.20 0.45 -0.11 0.00 0.46 0.00 0.00 57.72 58.71 1og6 n HIS 128 Cb 0.49 -0.65 -0.10 0.00 -0.12 0.00 0.00 29.99 29.61 1og6 n HIS 128 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 1og6 s ARG 129 N -5.37 0.49 0.01 1.57 6.06 -1.25 -4.28 118.95 116.18 1og6 s ARG 129 Ca -0.05 -0.39 -0.30 0.00 -2.50 0.00 0.00 55.73 52.49 1og6 s ARG 129 Cb 0.08 0.20 -0.07 0.00 0.06 0.00 0.00 34.95 35.23 1og6 s ARG 129 CO 0.26 -0.12 1.58 -1.25 -2.50 0.00 0.00 175.30 173.28 1og6 s PRO 130 N -1.38 4.21 -0.18 5.12 0.04 -1.26 -4.94 135.00 136.62 1og6 s PRO 130 Ca -0.15 2.18 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 1og6 s PRO 130 Cb -0.07 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1og6 s PRO 130 CO 0.02 -0.73 0.03 0.34 0.04 0.00 0.00 177.00 176.70 1og6 s ASP 131 N 2.58 5.36 0.57 6.66 2.15 -1.26 -4.99 116.67 127.75 1og6 s ASP 131 Ca 0.71 0.00 0.27 0.00 0.43 0.00 0.00 52.55 53.96 1og6 s ASP 131 Cb -0.35 -1.91 1.64 0.00 -0.30 0.00 0.00 42.92 41.99 1og6 s ASP 131 CO 0.30 0.16 2.16 -0.65 -0.17 0.00 0.00 175.17 176.96 1og6 h PRO 132 N 6.81 0.00 -0.53 4.34 0.11 -2.00 -1.31 132.00 139.42 1og6 h PRO 132 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1og6 h PRO 132 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1og6 h PRO 132 CO 0.67 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.74 1og6 n LEU 133 N -3.99 4.13 -4.71 2.35 4.77 -1.26 -4.99 117.00 113.30 1og6 n LEU 133 Ca -0.00 -2.38 -0.42 0.00 -0.03 0.00 0.00 56.01 53.17 1og6 n LEU 133 Cb 0.21 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1og6 n LEU 133 CO 0.29 0.79 1.10 -0.32 -1.33 0.00 0.00 177.39 177.93 1og6 s MET 134 N -1.71 4.29 -0.56 3.23 1.75 -0.50 -4.93 119.30 120.88 1og6 s MET 134 Ca 0.43 2.13 -0.07 0.00 -1.25 0.00 0.00 55.69 56.94 1og6 s MET 134 Cb 0.28 -3.25 0.14 0.00 2.84 0.00 0.00 34.83 34.84 1og6 s MET 134 CO 0.21 -0.48 0.41 0.34 -0.65 0.00 0.00 175.02 174.85 1og6 s ASP 135 N 1.17 5.62 0.63 1.11 3.68 -1.26 -4.95 116.67 122.67 1og6 s ASP 135 Ca 0.66 -2.35 0.16 0.00 2.13 0.00 0.00 52.55 53.15 1og6 s ASP 135 Cb -0.38 -1.96 0.56 0.00 -1.45 0.00 0.00 42.92 39.69 1og6 s ASP 135 CO 0.30 -0.55 1.20 0.00 0.13 0.00 0.00 175.17 176.26 1og6 h ALA 136 N 7.83 2.51 0.13 3.66 0.00 -1.93 0.42 119.26 131.89 1og6 h ALA 136 Ca -0.09 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 1og6 h ALA 136 Cb 1.02 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1og6 h ALA 136 CO 0.77 -1.38 -1.30 -0.44 0.00 0.00 0.00 179.25 176.90 1og6 h ASP 137 N 0.00 0.44 -0.51 0.00 3.32 -1.95 -2.18 116.42 115.55 1og6 h ASP 137 Ca 0.27 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1og6 h ASP 137 Cb 2.45 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 41.83 1og6 h ASP 137 CO -0.00 1.58 0.33 -0.33 -1.72 0.00 0.00 179.24 179.10 1og6 h GLU 138 N -0.27 0.67 -0.81 3.56 5.08 -0.56 -1.89 114.58 120.36 1og6 h GLU 138 Ca -0.27 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1og6 h GLU 138 Cb 1.78 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.84 1og6 h GLU 138 CO 0.10 0.46 0.41 0.28 -1.00 0.00 0.00 179.01 179.26 1og6 h VAL 139 N 0.68 1.25 0.00 3.13 2.07 -1.45 -2.15 116.25 119.78 1og6 h VAL 139 Ca 0.18 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1og6 h VAL 139 Cb -0.06 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1og6 h VAL 139 CO -0.04 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1og6 h ALA 140 N 1.22 1.00 0.21 1.67 0.00 -0.70 -2.19 119.26 120.46 1og6 h ALA 140 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.90 1og6 h ALA 140 Cb 0.08 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.90 1og6 h ALA 140 CO -0.04 0.00 -1.27 -0.44 0.00 0.00 0.00 179.25 177.50 1og6 h ASP 141 N 0.00 0.70 -0.27 0.00 3.45 -0.71 -2.81 116.42 116.77 1og6 h ASP 141 Ca 0.00 -0.93 -0.03 0.00 0.43 0.00 0.00 57.03 56.50 1og6 h ASP 141 Cb 0.37 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1og6 h ASP 141 CO 0.00 1.61 0.06 0.00 -1.57 0.00 0.00 179.24 179.34 1og6 h ALA 142 N 0.12 0.36 -0.25 3.45 0.00 -1.24 -0.26 119.26 121.44 1og6 h ALA 142 Ca -0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1og6 h ALA 142 Cb 1.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1og6 h ALA 142 CO 0.22 0.02 0.02 0.74 0.00 0.00 0.00 179.25 180.25 1og6 h PHE 143 N 0.27 0.37 0.00 0.00 -1.00 -1.51 -1.06 116.94 114.02 1og6 h PHE 143 Ca 0.09 -0.02 -0.18 0.00 2.81 0.00 0.00 57.97 60.67 1og6 h PHE 143 Cb 0.29 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 1og6 h PHE 143 CO 0.01 0.37 -0.93 0.87 -1.61 0.00 0.00 178.31 177.03 1og6 h LYS 144 N 0.37 0.00 -0.09 1.51 1.57 -1.31 -2.10 116.57 116.53 1og6 h LYS 144 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1og6 h LYS 144 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1og6 h LYS 144 CO 0.00 0.73 -0.10 1.25 -0.57 0.00 0.00 179.45 180.76 1og6 h HIS 145 N 0.00 0.26 -0.54 -1.35 2.76 -0.60 -2.77 115.15 112.91 1og6 h HIS 145 Ca -0.04 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 57.98 1og6 h HIS 145 Cb 1.65 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.53 1og6 h HIS 145 CO 0.00 0.66 0.07 -0.07 -1.30 0.00 0.00 177.93 177.29 1og6 h LEU 146 N -0.21 0.87 -2.36 0.26 3.38 -1.28 -2.31 115.31 113.66 1og6 h LEU 146 Ca 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1og6 h LEU 146 Cb 0.62 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1og6 h LEU 146 CO 0.02 0.92 -0.03 -0.74 0.09 0.00 0.00 178.44 178.70 1og6 h HIS 147 N 0.79 0.00 0.25 1.13 2.76 -1.39 -1.89 115.15 116.79 1og6 h HIS 147 Ca 0.16 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1og6 h HIS 147 Cb 0.44 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1og6 h HIS 147 CO 0.03 0.03 -0.12 1.96 -1.30 0.00 0.00 177.93 178.53 1og6 h GLN 148 N 0.00 -0.32 0.00 5.26 4.20 -1.13 -3.19 115.11 119.93 1og6 h GLN 148 Ca -0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1og6 h GLN 148 Cb 0.09 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1og6 h GLN 148 CO 0.00 -0.12 0.32 0.77 -0.67 0.00 0.00 178.83 179.13 1og6 h SER 149 N -1.05 0.00 -0.17 1.46 0.02 -1.09 -3.44 113.55 109.28 1og6 h SER 149 Ca -0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1og6 h SER 149 Cb 0.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1og6 h SER 149 CO 0.06 0.00 -0.07 0.61 -1.14 0.00 0.00 176.83 176.29 1og6 n GLY 150 N -1.27 0.60 0.12 -3.77 0.00 -0.74 -4.87 105.19 95.25 1og6 n GLY 150 Ca -0.01 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.89 1og6 n GLY 150 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1og6 n LYS 151 N -1.88 0.57 -3.57 1.61 2.85 -1.13 -4.71 118.16 111.89 1og6 n LYS 151 Ca -0.04 -0.25 -0.11 0.00 -1.05 0.00 0.00 58.31 56.87 1og6 n LYS 151 Cb 0.24 -1.49 -0.11 0.00 -0.65 0.00 0.00 35.03 33.02 1og6 n LYS 151 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1og6 s VAL 152 N -2.60 -0.54 -0.09 0.58 1.01 -1.24 -1.28 120.40 116.24 1og6 s VAL 152 Ca 0.24 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 1og6 s VAL 152 Cb 0.19 -0.63 -0.23 0.00 0.00 0.00 0.00 36.38 35.71 1og6 s VAL 152 CO 0.52 0.02 0.93 0.03 0.00 0.00 0.00 175.10 176.60 1og6 h ARG 153 N 8.22 -0.02 -5.23 2.72 3.08 -1.25 -3.37 114.38 118.54 1og6 h ARG 153 Ca -0.16 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.52 1og6 h ARG 153 Cb 1.12 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.03 1og6 h ARG 153 CO 0.17 0.73 -0.72 -1.01 -1.07 0.00 0.00 179.97 178.08 1og6 s HIS 154 N -3.01 1.41 0.11 3.04 3.76 -0.33 -5.01 115.29 115.25 1og6 s HIS 154 Ca -0.17 -0.70 0.07 0.00 -0.15 0.00 0.00 55.06 54.11 1og6 s HIS 154 Cb -0.01 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.95 1og6 s HIS 154 CO 0.65 0.17 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.49 1og6 s PHE 155 N -3.20 1.51 0.15 1.40 0.40 -1.26 -1.37 117.98 115.63 1og6 s PHE 155 Ca 0.18 -0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 55.99 1og6 s PHE 155 Cb 0.01 -0.82 0.02 0.00 0.51 0.00 0.00 43.02 42.75 1og6 s PHE 155 CO 0.03 0.16 0.29 0.41 0.70 0.00 0.00 175.22 176.81 1og6 n GLY 156 N 0.90 1.81 2.55 4.36 0.00 -0.63 -0.30 105.19 113.89 1og6 n GLY 156 Ca -0.18 -1.18 -0.20 0.00 0.00 0.00 0.00 46.02 44.46 1og6 n GLY 156 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1og6 n VAL 157 N -0.22 0.00 -3.57 1.61 0.24 -1.09 -1.56 118.33 113.75 1og6 n VAL 157 Ca -0.03 -1.80 -0.03 0.00 -2.04 0.00 0.00 64.34 60.43 1og6 n VAL 157 Cb 0.24 0.63 -0.06 0.00 -1.47 0.00 0.00 33.84 33.18 1og6 n VAL 157 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1og6 s SER 158 N -2.91 -0.77 -0.30 -1.34 0.15 -1.05 -2.41 113.70 105.06 1og6 s SER 158 Ca 0.15 1.20 -0.00 0.00 0.70 0.00 0.00 55.95 57.99 1og6 s SER 158 Cb 0.01 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.20 1og6 s SER 158 CO 0.10 -0.23 0.04 0.59 1.20 0.00 0.00 173.24 174.94 1og6 n ASN 159 N 5.42 -2.04 -4.87 5.45 3.02 -0.66 -3.83 115.26 117.75 1og6 n ASN 159 Ca -0.09 -0.02 -0.33 0.00 -0.03 0.00 0.00 54.58 54.11 1og6 n ASN 159 Cb 0.49 -1.29 -0.05 0.00 -0.61 0.00 0.00 39.78 38.32 1og6 n ASN 159 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1og6 s PHE 160 N -2.35 3.52 0.26 3.10 2.99 -1.26 -4.46 117.98 119.78 1og6 s PHE 160 Ca 0.02 0.84 -0.04 0.00 0.00 0.00 0.00 56.93 57.74 1og6 s PHE 160 Cb -0.01 -2.21 -0.05 0.00 0.00 0.00 0.00 43.02 40.75 1og6 s PHE 160 CO 0.02 0.40 0.52 0.95 -0.00 0.00 0.00 175.22 177.11 1og6 s THR 161 N -1.59 5.06 0.58 0.64 -4.23 -1.26 -4.85 115.64 109.98 1og6 s THR 161 Ca 0.40 0.01 0.39 0.00 -1.18 0.00 0.00 61.69 61.31 1og6 s THR 161 Cb -0.13 -3.72 0.57 0.00 1.34 0.00 0.00 72.50 70.56 1og6 s THR 161 CO 0.20 -0.26 1.55 -0.65 -0.54 0.00 0.00 174.62 174.92 1og6 h PRO 162 N 1.85 0.00 0.08 3.99 0.11 -1.93 0.26 132.00 136.36 1og6 h PRO 162 Ca -0.48 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 1og6 h PRO 162 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1og6 h PRO 162 CO 0.67 0.00 -1.24 0.00 -0.21 0.00 0.00 178.00 177.22 1og6 h ALA 163 N 0.96 0.23 0.00 -0.75 0.00 -1.98 -2.46 119.26 115.26 1og6 h ALA 163 Ca 0.68 -0.96 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 1og6 h ALA 163 Cb 3.06 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 20.84 1og6 h ALA 163 CO -0.01 1.11 -1.04 1.96 0.00 0.00 0.00 179.25 181.28 1og6 h GLN 164 N 0.05 0.00 -0.23 0.00 4.20 -0.96 -1.17 115.11 117.00 1og6 h GLN 164 Ca -0.12 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1og6 h GLN 164 Cb 1.92 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.70 1og6 h GLN 164 CO 0.17 0.68 -0.17 0.35 -0.67 0.00 0.00 178.83 179.19 1og6 h PHE 165 N 0.00 0.62 -0.31 2.96 3.57 -1.13 -2.64 116.94 120.02 1og6 h PHE 165 Ca -0.07 -0.17 -0.15 0.00 3.53 0.00 0.00 57.97 61.11 1og6 h PHE 165 Cb 1.68 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 1og6 h PHE 165 CO 0.00 0.83 -0.40 0.00 -2.23 0.00 0.00 178.31 176.52 1og6 h ALA 166 N 0.69 0.72 -0.33 2.41 0.00 -1.46 -0.79 119.26 120.50 1og6 h ALA 166 Ca 0.04 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1og6 h ALA 166 Cb 0.70 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1og6 h ALA 166 CO 0.05 0.66 0.09 1.25 0.00 0.00 0.00 179.25 181.29 1og6 h LEU 167 N 0.61 0.06 0.54 0.00 5.85 -1.12 -0.96 115.31 120.27 1og6 h LEU 167 Ca 0.05 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1og6 h LEU 167 Cb 0.94 0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.03 1og6 h LEU 167 CO 0.09 0.07 -0.26 0.25 -0.34 0.00 0.00 178.44 178.25 1og6 h LEU 168 N 0.21 -0.61 -0.84 2.25 5.85 -1.40 -3.27 115.31 117.49 1og6 h LEU 168 Ca 0.15 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.04 1og6 h LEU 168 Cb 0.15 0.16 -0.15 0.00 0.37 0.00 0.00 40.66 41.19 1og6 h LEU 168 CO -0.18 -0.24 -0.27 1.67 -0.34 0.00 0.00 178.44 179.08 1og6 n GLN 169 N -5.02 -0.14 0.10 1.25 -0.06 -0.31 0.69 117.38 113.89 1og6 n GLN 169 Ca -0.09 1.31 0.20 0.00 -2.00 0.00 0.00 57.00 56.42 1og6 n GLN 169 Cb 0.28 -1.94 0.68 0.00 -4.06 0.00 0.00 30.24 25.20 1og6 n GLN 169 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1og6 h SER 170 N 0.00 0.00 0.04 1.69 4.64 -1.22 0.45 113.55 119.14 1og6 h SER 170 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1og6 h SER 170 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1og6 h SER 170 CO -0.85 0.00 -0.29 0.54 -0.87 0.00 0.00 176.83 175.36 1og6 n ARG 171 N -3.44 1.39 -3.92 4.77 5.12 0.22 -4.93 116.66 115.86 1og6 n ARG 171 Ca 0.08 -1.06 -0.36 0.00 -1.93 0.00 0.00 57.85 54.57 1og6 n ARG 171 Cb 0.73 -1.48 -0.07 0.00 -1.16 0.00 0.00 32.46 30.48 1og6 n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1og6 s LEU 172 N -2.34 4.22 0.00 0.55 1.43 0.16 -4.91 118.68 117.79 1og6 s LEU 172 Ca 0.24 0.36 0.28 0.00 -1.03 0.00 0.00 54.13 53.98 1og6 s LEU 172 Cb 0.19 -2.04 1.27 0.00 0.03 0.00 0.00 46.19 45.64 1og6 s LEU 172 CO 0.48 0.35 1.92 -0.81 0.23 0.00 0.00 176.35 178.53 1og6 n PRO 173 N 2.38 0.12 -4.17 1.29 -0.04 -1.26 -4.83 135.00 128.48 1og6 n PRO 173 Ca -0.19 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.13 1og6 n PRO 173 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 1og6 n PRO 173 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1og6 s PHE 174 N -2.87 0.72 0.13 0.54 -0.12 -1.26 -5.12 117.98 110.00 1og6 s PHE 174 Ca 0.18 -0.31 -0.35 0.00 -0.05 0.00 0.00 56.93 56.40 1og6 s PHE 174 Cb 0.19 -0.44 -0.15 0.00 -0.63 0.00 0.00 43.02 41.98 1og6 s PHE 174 CO 0.49 -0.03 1.45 2.41 -0.05 0.00 0.00 175.22 179.49 1og6 n THR 175 N 2.13 0.08 -2.16 -4.49 -1.04 -1.26 -4.91 114.28 102.64 1og6 n THR 175 Ca -0.18 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 1og6 n THR 175 Cb 0.56 -1.21 -0.03 0.00 -1.82 0.00 0.00 70.33 67.83 1og6 n THR 175 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1og6 s LEU 176 N 0.68 4.35 0.30 -4.42 1.43 -1.26 -4.74 118.68 115.02 1og6 s LEU 176 Ca 0.80 2.29 0.11 0.00 -1.03 0.00 0.00 54.13 56.30 1og6 s LEU 176 Cb -0.80 -3.58 0.46 0.00 0.03 0.00 0.00 46.19 42.30 1og6 s LEU 176 CO 0.43 -0.70 1.67 0.00 0.23 0.00 0.00 176.35 177.98 1og6 h ALA 177 N 7.25 1.09 -2.64 4.21 0.00 -1.01 -3.47 119.26 124.70 1og6 h ALA 177 Ca -0.41 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.02 1og6 h ALA 177 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1og6 h ALA 177 CO 0.88 0.69 0.29 -2.37 0.00 0.00 0.00 179.25 178.74 1og6 n THR 178 N -3.89 0.00 -2.88 0.00 5.66 -1.26 -4.24 114.28 107.67 1og6 n THR 178 Ca -0.01 -0.67 -0.10 0.00 -3.05 0.00 0.00 64.05 60.22 1og6 n THR 178 Cb 0.56 0.72 -0.00 0.00 -1.55 0.00 0.00 70.33 70.06 1og6 n THR 178 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1og6 n ASN 179 N -1.33 -2.57 -4.61 1.09 5.15 -1.25 -2.66 115.26 109.08 1og6 n ASN 179 Ca -0.05 -2.94 -0.48 0.00 -0.60 0.00 0.00 54.58 50.50 1og6 n ASN 179 Cb 0.46 1.25 -0.05 0.00 -0.53 0.00 0.00 39.78 40.91 1og6 n ASN 179 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1og6 n GLN 180 N 2.40 1.83 -4.49 1.20 7.27 -1.01 -4.36 117.38 120.22 1og6 n GLN 180 Ca 0.17 0.61 -0.24 0.00 0.07 0.00 0.00 57.00 57.61 1og6 n GLN 180 Cb 0.57 -2.68 -0.08 0.00 2.41 0.00 0.00 30.24 30.45 1og6 n GLN 180 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1og6 s VAL 181 N 5.62 0.62 -0.20 1.69 -7.23 -1.17 -1.65 120.40 118.07 1og6 s VAL 181 Ca 0.99 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 59.02 1og6 s VAL 181 Cb -0.69 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 1og6 s VAL 181 CO 0.49 0.00 0.28 -0.70 -0.31 0.00 0.00 175.10 174.86 1og6 s GLU 182 N -3.73 4.18 -0.09 4.82 2.12 -1.26 0.14 118.70 124.87 1og6 s GLU 182 Ca 0.26 0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.57 1og6 s GLU 182 Cb 0.03 -3.49 0.05 0.00 0.26 0.00 0.00 34.13 30.98 1og6 s GLU 182 CO 0.15 0.10 0.18 0.42 -0.54 0.00 0.00 175.26 175.58 1og6 s ILE 183 N 0.90 -0.16 -0.08 -3.70 1.01 -1.12 -4.76 121.20 113.28 1og6 s ILE 183 Ca 0.14 0.24 -0.32 0.00 0.00 0.00 0.00 60.65 60.72 1og6 s ILE 183 Cb -0.14 -0.31 0.12 0.00 0.01 0.00 0.00 42.46 42.15 1og6 s ILE 183 CO 0.05 0.10 1.11 -0.94 0.00 0.00 0.00 174.94 175.26 1og6 s SER 184 N 1.68 -0.19 0.67 3.58 1.04 -1.06 -3.69 113.70 115.73 1og6 s SER 184 Ca -0.04 -0.05 0.43 0.00 0.48 0.00 0.00 55.95 56.76 1og6 s SER 184 Cb -0.12 0.24 2.35 0.00 0.10 0.00 0.00 66.02 68.59 1og6 s SER 184 CO -0.07 -0.41 2.33 -0.65 0.98 0.00 0.00 173.24 175.42 1og6 h PRO 185 N 2.00 0.00 -0.35 4.02 0.11 -1.94 0.24 132.00 136.08 1og6 h PRO 185 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1og6 h PRO 185 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1og6 h PRO 185 CO 0.26 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.38 1og6 n VAL 186 N -3.08 0.45 -3.11 3.15 0.24 -1.26 -4.62 118.33 110.10 1og6 n VAL 186 Ca -0.03 -0.60 -0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1og6 n VAL 186 Cb 0.10 0.63 -0.01 0.00 -1.47 0.00 0.00 33.84 33.10 1og6 n VAL 186 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1og6 s HIS 187 N -1.55 -1.70 -0.67 6.34 5.65 0.83 -5.03 115.29 119.15 1og6 s HIS 187 Ca 0.36 0.07 0.12 0.00 0.25 0.00 0.00 55.06 55.86 1og6 s HIS 187 Cb 0.20 0.32 0.35 0.00 -1.18 0.00 0.00 32.58 32.26 1og6 s HIS 187 CO 0.28 -1.19 1.28 1.04 -0.65 0.00 0.00 174.74 175.50 1og6 n GLN 188 N 4.08 2.88 -0.06 2.88 6.02 -1.21 -2.55 117.38 129.42 1og6 n GLN 188 Ca 0.13 -2.23 0.24 0.00 -0.01 0.00 0.00 57.00 55.12 1og6 n GLN 188 Cb 0.57 -1.41 0.72 0.00 1.02 0.00 0.00 30.24 31.14 1og6 n GLN 188 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1og6 h PRO 189 N 1.83 0.00 0.00 -1.09 0.13 -1.92 0.00 132.00 130.96 1og6 h PRO 189 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1og6 h PRO 189 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1og6 h PRO 189 CO 0.06 0.00 -0.13 -0.07 -0.23 0.00 0.00 178.00 177.63 1og6 h LEU 190 N 0.00 0.00 -2.04 1.56 -0.00 -1.86 -2.43 115.31 110.54 1og6 h LEU 190 Ca 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.18 1og6 h LEU 190 Cb 1.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.03 1og6 h LEU 190 CO -0.00 0.13 -0.09 -0.07 -0.00 0.00 0.00 178.44 178.40 1og6 h LEU 191 N 0.00 0.00 0.00 1.67 4.07 -1.35 -3.10 115.31 116.60 1og6 h LEU 191 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1og6 h LEU 191 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1og6 h LEU 191 CO 0.02 0.09 -0.70 0.18 -1.08 0.00 0.00 178.44 176.94 1og6 n LEU 192 N -3.86 0.00 0.00 1.67 4.77 -1.21 -4.76 117.00 113.60 1og6 n LEU 192 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1og6 n LEU 192 Cb 0.19 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1og6 n LEU 192 CO 0.31 0.00 0.25 -0.90 -1.33 0.00 0.00 177.39 175.72 1og6 n ASP 193 N -1.31 0.00 0.00 -1.43 3.85 -0.92 -4.79 116.55 111.94 1og6 n ASP 193 Ca 0.00 -0.50 0.00 0.00 -0.71 0.00 0.00 54.79 53.58 1og6 n ASP 193 Cb 0.18 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1og6 n ASP 193 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1og6 n GLY 194 N -0.27 0.81 0.17 6.12 0.00 -1.26 -4.94 105.19 105.83 1og6 n GLY 194 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1og6 n GLY 194 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1og6 h THR 195 N 0.00 0.96 0.00 2.61 2.02 -1.87 -2.30 112.91 114.33 1og6 h THR 195 Ca 0.00 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.44 1og6 h THR 195 Cb 0.00 2.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1og6 h THR 195 CO 0.00 0.43 -1.27 0.18 0.37 0.00 0.00 175.52 175.22 1og6 n LEU 196 N -3.51 0.63 -0.06 2.58 4.77 -1.17 -3.55 117.00 116.69 1og6 n LEU 196 Ca -0.00 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1og6 n LEU 196 Cb 0.56 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1og6 n LEU 196 CO 0.38 -0.13 0.53 0.44 -1.33 0.00 0.00 177.39 177.28 1og6 h ASP 197 N 0.00 0.51 -0.58 -1.43 3.32 -1.81 -1.41 116.42 115.03 1og6 h ASP 197 Ca -0.01 -0.53 0.01 0.00 0.02 0.00 0.00 57.03 56.52 1og6 h ASP 197 Cb 1.03 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1og6 h ASP 197 CO 0.00 0.95 0.37 -0.61 -1.72 0.00 0.00 179.24 178.23 1og6 h GLN 198 N 0.10 0.72 -0.13 3.56 4.15 -1.56 -0.44 115.11 121.51 1og6 h GLN 198 Ca 0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1og6 h GLN 198 Cb 0.85 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1og6 h GLN 198 CO 0.06 0.48 0.02 -0.07 -1.93 0.00 0.00 178.83 177.39 1og6 h LEU 199 N 0.74 0.21 -0.86 -2.39 3.38 -1.60 -1.08 115.31 113.72 1og6 h LEU 199 Ca 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1og6 h LEU 199 Cb -0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1og6 h LEU 199 CO -0.07 0.42 0.51 -0.61 0.09 0.00 0.00 178.44 178.78 1og6 h GLN 200 N -0.00 1.18 -0.60 1.13 4.15 -1.10 -0.17 115.11 119.70 1og6 h GLN 200 Ca 0.04 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 1og6 h GLN 200 Cb 0.30 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1og6 h GLN 200 CO 0.00 0.84 0.26 0.37 -1.93 0.00 0.00 178.83 178.37 1og6 h GLN 201 N 1.19 0.86 -0.00 1.69 4.15 -0.88 -1.90 115.11 120.22 1og6 h GLN 201 Ca 0.31 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1og6 h GLN 201 Cb -0.03 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.51 1og6 h GLN 201 CO -0.06 0.68 -0.26 1.28 -1.93 0.00 0.00 178.83 178.55 1og6 n LEU 202 N -4.34 0.27 -1.40 -2.39 4.77 -0.43 -4.92 117.00 108.56 1og6 n LEU 202 Ca 0.05 0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1og6 n LEU 202 Cb 0.15 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1og6 n LEU 202 CO 0.38 0.07 -0.05 0.54 -1.33 0.00 0.00 177.39 177.00 1og6 n ARG 203 N -1.49 -1.72 -3.99 3.23 1.74 -0.17 -4.74 116.66 109.52 1og6 n ARG 203 Ca 0.06 0.46 -0.32 0.00 -0.77 0.00 0.00 57.85 57.29 1og6 n ARG 203 Cb 0.34 -4.42 -0.06 0.00 -1.02 0.00 0.00 32.46 27.31 1og6 n ARG 203 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1og6 s VAL 204 N -2.70 5.02 -0.13 1.55 1.01 -0.64 -4.20 120.40 120.30 1og6 s VAL 204 Ca 0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1og6 s VAL 204 Cb -0.04 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1og6 s VAL 204 CO 0.11 0.22 -0.07 -0.13 0.00 0.00 0.00 175.10 175.23 1og6 s ARG 205 N -2.18 3.44 0.03 2.72 3.00 0.89 -4.34 118.95 122.51 1og6 s ARG 205 Ca 0.29 -0.58 -0.20 0.00 0.00 0.00 0.00 55.73 55.25 1og6 s ARG 205 Cb -0.12 -2.77 -0.06 0.00 0.00 0.00 0.00 34.95 31.99 1og6 s ARG 205 CO 0.21 0.30 0.58 -1.25 0.00 0.00 0.00 175.30 175.14 1og6 s PRO 206 N 0.17 4.25 -0.75 3.54 0.04 -1.26 -4.23 135.00 136.76 1og6 s PRO 206 Ca -0.04 0.72 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 1og6 s PRO 206 Cb -0.14 -3.29 0.08 0.00 0.04 0.00 0.00 34.50 31.19 1og6 s PRO 206 CO 0.04 0.51 1.06 -1.64 0.04 0.00 0.00 177.00 177.00 1og6 s MET 207 N -0.65 3.25 -0.01 4.56 -1.94 -1.26 -1.61 119.30 121.64 1og6 s MET 207 Ca 0.30 -1.00 -0.30 0.00 -1.71 0.00 0.00 55.69 52.98 1og6 s MET 207 Cb -0.19 -4.45 -0.06 0.00 2.01 0.00 0.00 34.83 32.14 1og6 s MET 207 CO 0.18 -1.86 1.62 0.00 -0.01 0.00 0.00 175.02 174.94 1og6 s ALA 208 N 3.97 3.63 0.11 3.03 0.00 -0.99 -3.06 121.76 128.45 1og6 s ALA 208 Ca 0.27 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.26 1og6 s ALA 208 Cb -0.13 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1og6 s ALA 208 CO 0.05 -1.24 0.21 1.67 0.00 0.00 0.00 175.76 176.46 1og6 s TRP 209 N 3.37 3.42 -1.67 0.00 1.48 0.36 -2.49 118.94 123.41 1og6 s TRP 209 Ca 0.72 0.14 0.00 0.00 -1.06 0.00 0.00 56.10 55.90 1og6 s TRP 209 Cb -0.35 -1.67 0.00 0.00 -1.16 0.00 0.00 33.47 30.29 1og6 s TRP 209 CO 0.30 0.54 0.00 0.43 -4.06 0.00 0.00 176.95 174.16 1og6 n SER 210 N -0.08 -5.58 0.00 -2.66 7.64 -1.26 -2.81 113.62 108.87 1og6 n SER 210 Ca -0.07 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1og6 n SER 210 Cb 0.53 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 59.11 1og6 n SER 210 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1og6 n ARG 216 N -0.51 -0.97 -0.01 0.00 -4.01 -1.26 -4.49 116.66 105.41 1og6 n ARG 216 Ca 0.00 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.71 1og6 n ARG 216 Cb 0.19 0.00 -0.14 0.00 -3.04 0.00 0.00 32.46 29.47 1og6 n ARG 216 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 1og6 h LEU 217 N 0.00 0.05 0.04 2.89 5.85 -1.99 -2.84 115.31 119.31 1og6 h LEU 217 Ca 0.00 -0.10 -0.31 0.00 0.84 0.00 0.00 57.88 58.31 1og6 h LEU 217 Cb 0.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1og6 h LEU 217 CO 0.00 1.09 -1.74 -0.26 -0.34 0.00 0.00 178.44 177.19 1og6 h PHE 218 N 0.01 0.15 0.25 1.25 0.04 -2.03 -3.40 116.94 113.21 1og6 h PHE 218 Ca -0.28 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.37 1og6 h PHE 218 Cb 2.00 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.15 1og6 h PHE 218 CO 0.01 1.22 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.91 1og6 h ASN 219 N 0.02 -0.28 -2.16 2.17 2.35 -1.99 -3.44 115.58 112.26 1og6 h ASN 219 Ca -0.31 0.01 -0.63 0.00 -0.55 0.00 0.00 56.30 54.83 1og6 h ASN 219 Cb 2.01 0.07 0.08 0.00 0.05 0.00 0.00 38.32 40.53 1og6 h ASN 219 CO 0.09 -0.05 0.40 -0.67 -1.65 0.00 0.00 177.43 175.55 1og6 n ASP 220 N -3.76 1.83 0.07 5.81 -0.08 -1.07 -4.87 116.55 114.48 1og6 n ASP 220 Ca -0.04 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 54.49 1og6 n ASP 220 Cb 0.13 -1.28 -0.03 0.00 2.34 0.00 0.00 41.12 42.28 1og6 n ASP 220 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1og6 n ASP 221 N 2.12 0.65 0.00 1.67 8.00 -1.26 -3.70 116.55 124.04 1og6 n ASP 221 Ca 0.14 0.20 0.02 0.00 0.71 0.00 0.00 54.79 55.87 1og6 n ASP 221 Cb 0.26 0.78 0.10 0.00 -0.02 0.00 0.00 41.12 42.24 1og6 n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1og6 n TYR 222 N -2.50 0.00 -1.56 1.24 9.36 -1.26 -1.98 117.16 120.46 1og6 n TYR 222 Ca -0.01 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.89 1og6 n TYR 222 Cb 0.54 -0.47 0.06 0.00 -0.63 0.00 0.00 39.34 38.84 1og6 n TYR 222 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1og6 n PHE 223 N -1.47 3.10 -0.04 2.98 3.01 -1.24 -4.64 117.46 119.15 1og6 n PHE 223 Ca 0.01 -2.79 -0.09 0.00 1.01 0.00 0.00 57.45 55.59 1og6 n PHE 223 Cb 0.05 -1.12 -0.08 0.00 -0.01 0.00 0.00 39.48 38.32 1og6 n PHE 223 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1og6 h GLN 224 N 2.09 -0.05 -0.95 -1.08 5.75 -1.66 -2.81 115.11 116.40 1og6 h GLN 224 Ca 0.54 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 59.26 1og6 h GLN 224 Cb 0.99 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.47 1og6 h GLN 224 CO 1.35 0.51 0.62 -1.35 -2.65 0.00 0.00 178.83 177.31 1og6 h PRO 225 N -0.96 0.44 -0.31 -2.39 0.11 -1.86 0.49 132.00 127.52 1og6 h PRO 225 Ca -0.00 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 1og6 h PRO 225 Cb 0.58 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1og6 h PRO 225 CO 0.01 0.29 -0.03 1.25 -0.21 0.00 0.00 178.00 179.31 1og6 h LEU 226 N 0.45 0.57 -1.53 2.35 5.85 -1.65 -2.15 115.31 119.19 1og6 h LEU 226 Ca 0.51 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1og6 h LEU 226 Cb 1.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1og6 h LEU 226 CO -0.23 0.76 -0.24 0.03 -0.34 0.00 0.00 178.44 178.43 1og6 h ARG 227 N 0.36 0.00 0.00 1.25 3.08 0.07 -1.74 114.38 117.40 1og6 h ARG 227 Ca 0.08 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 1og6 h ARG 227 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1og6 h ARG 227 CO 0.02 0.24 -0.76 -0.44 -1.07 0.00 0.00 179.97 177.96 1og6 h ASP 228 N 0.00 0.00 0.24 7.04 3.45 -0.31 -2.47 116.42 124.37 1og6 h ASP 228 Ca -0.00 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.16 1og6 h ASP 228 Cb 0.49 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.29 1og6 h ASP 228 CO 0.03 0.76 -1.28 -0.33 -1.57 0.00 0.00 179.24 176.85 1og6 h GLU 229 N 0.00 0.55 -0.89 3.56 4.39 -0.96 -1.49 114.58 119.74 1og6 h GLU 229 Ca -0.01 -0.79 -0.01 0.00 0.34 0.00 0.00 59.36 58.90 1og6 h GLU 229 Cb 1.44 0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 30.31 1og6 h GLU 229 CO 0.10 1.36 0.53 -0.07 -1.16 0.00 0.00 179.01 179.77 1og6 h LEU 230 N 0.22 1.07 -0.70 1.33 3.38 -1.36 0.20 115.31 119.45 1og6 h LEU 230 Ca -0.19 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 1og6 h LEU 230 Cb 1.96 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1og6 h LEU 230 CO 0.24 0.82 -0.33 0.00 0.09 0.00 0.00 178.44 179.26 1og6 h ALA 231 N 1.36 0.88 0.00 1.53 0.00 -1.42 0.22 119.26 121.83 1og6 h ALA 231 Ca 0.32 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1og6 h ALA 231 Cb -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1og6 h ALA 231 CO -0.06 0.63 -0.15 0.28 0.00 0.00 0.00 179.25 179.95 1og6 h VAL 232 N 0.54 0.28 0.00 0.00 2.07 -0.46 -2.70 116.25 115.97 1og6 h VAL 232 Ca 0.06 -1.25 -0.15 0.00 0.82 0.00 0.00 66.70 66.17 1og6 h VAL 232 Cb 0.83 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1og6 h VAL 232 CO 0.07 0.15 -1.63 0.52 0.02 0.00 0.00 177.57 176.70 1og6 n VAL 233 N -3.16 0.95 -0.02 2.57 0.31 0.64 -3.32 118.33 116.29 1og6 n VAL 233 Ca 0.03 -0.67 -0.12 0.00 -0.01 0.00 0.00 64.34 63.57 1og6 n VAL 233 Cb 0.54 -0.52 -0.07 0.00 -0.91 0.00 0.00 33.84 32.88 1og6 n VAL 233 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1og6 h ALA 234 N 1.52 0.11 -0.15 3.52 0.00 -0.52 -0.01 119.26 123.73 1og6 h ALA 234 Ca -0.18 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1og6 h ALA 234 Cb 1.52 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 1og6 h ALA 234 CO 0.03 -0.26 -0.36 1.49 0.00 0.00 0.00 179.25 180.15 1og6 h GLU 235 N -0.07 -0.41 -0.44 0.00 4.57 -1.60 1.31 114.58 117.94 1og6 h GLU 235 Ca 0.03 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1og6 h GLU 235 Cb 0.25 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.86 1og6 h GLU 235 CO 0.00 -0.27 0.00 0.93 -1.18 0.00 0.00 179.01 178.49 1og6 h GLU 236 N -0.43 0.11 0.00 1.92 5.08 -1.49 -1.65 114.58 118.12 1og6 h GLU 236 Ca 0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1og6 h GLU 236 Cb 0.58 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1og6 h GLU 236 CO -0.39 0.07 -0.19 1.28 -1.00 0.00 0.00 179.01 178.78 1og6 n LEU 237 N -5.21 0.26 -2.78 1.33 4.77 -0.04 -4.96 117.00 110.38 1og6 n LEU 237 Ca 0.04 0.33 -0.04 0.00 -0.03 0.00 0.00 56.01 56.31 1og6 n LEU 237 Cb 0.23 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1og6 n LEU 237 CO 0.18 0.02 0.20 -3.20 -1.33 0.00 0.00 177.39 173.26 1og6 n ASN 238 N -1.60 -6.30 -4.65 -1.43 2.85 0.44 -4.90 115.26 99.68 1og6 n ASN 238 Ca 0.06 -0.22 -0.33 0.00 -0.11 0.00 0.00 54.58 53.98 1og6 n ASN 238 Cb 0.35 -4.35 -0.10 0.00 1.24 0.00 0.00 39.78 36.92 1og6 n ASN 238 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1og6 s ALA 239 N -3.10 3.18 0.36 5.20 0.00 -0.31 -5.01 121.76 122.08 1og6 s ALA 239 Ca 0.12 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.21 1og6 s ALA 239 Cb -0.02 -1.30 0.70 0.00 0.00 0.00 0.00 23.12 22.50 1og6 s ALA 239 CO 0.59 0.62 1.94 0.78 0.00 0.00 0.00 175.76 179.68 1og6 h GLY 240 N 4.67 0.54 -2.73 0.00 0.00 -1.96 -3.44 103.07 100.15 1og6 h GLY 240 Ca -0.49 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 46.46 1og6 h GLY 240 CO 0.55 0.26 -0.33 -1.35 0.00 0.00 0.00 176.54 175.68 1og6 s SER 241 N -6.74 0.04 0.52 0.19 1.04 -1.26 -5.03 113.70 102.47 1og6 s SER 241 Ca -0.08 -0.88 0.31 0.00 0.48 0.00 0.00 55.95 55.78 1og6 s SER 241 Cb 0.16 0.43 1.15 0.00 0.10 0.00 0.00 66.02 67.87 1og6 s SER 241 CO 0.75 -0.89 1.91 0.16 0.98 0.00 0.00 173.24 176.14 1og6 h ILE 242 N 2.54 0.05 0.00 -1.02 3.07 -1.88 -2.65 117.51 117.62 1og6 h ILE 242 Ca -0.32 -0.65 -0.08 0.00 1.55 0.00 0.00 64.86 65.36 1og6 h ILE 242 Cb 1.23 1.62 -0.01 0.00 -0.27 0.00 0.00 36.82 39.39 1og6 h ILE 242 CO 0.48 0.02 -0.37 -0.33 -1.05 0.00 0.00 178.15 176.90 1og6 h GLU 243 N 0.00 0.00 -0.25 0.16 3.07 -1.95 -1.47 114.58 114.14 1og6 h GLU 243 Ca -0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 1og6 h GLU 243 Cb 0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1og6 h GLU 243 CO 0.00 0.37 -0.30 1.96 -1.40 0.00 0.00 179.01 179.65 1og6 h GLN 244 N 0.00 0.49 -0.24 2.33 4.20 -1.78 -0.34 115.11 119.77 1og6 h GLN 244 Ca -0.00 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.44 1og6 h GLN 244 Cb 0.69 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1og6 h GLN 244 CO 0.05 0.74 -0.07 0.28 -0.67 0.00 0.00 178.83 179.16 1og6 h VAL 245 N 0.43 1.29 0.45 -0.54 2.07 -1.40 -1.52 116.25 117.03 1og6 h VAL 245 Ca 0.06 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1og6 h VAL 245 Cb 0.73 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1og6 h VAL 245 CO 0.06 0.34 -0.32 0.58 0.02 0.00 0.00 177.57 178.24 1og6 h VAL 246 N 0.22 0.33 -0.92 2.57 2.07 -1.01 0.41 116.25 119.91 1og6 h VAL 246 Ca 0.06 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.74 1og6 h VAL 246 Cb 0.55 0.33 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 1og6 h VAL 246 CO 0.03 0.00 0.52 0.78 0.02 0.00 0.00 177.57 178.92 1og6 h ASN 247 N -0.76 0.67 1.26 0.57 2.35 -1.05 0.53 115.58 119.15 1og6 h ASN 247 Ca -0.04 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1og6 h ASN 247 Cb 0.64 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1og6 h ASN 247 CO 0.01 0.28 -0.14 0.00 -1.65 0.00 0.00 177.43 175.93 1og6 h ALA 248 N 1.58 0.97 -0.07 -0.83 0.00 -0.58 0.16 119.26 120.49 1og6 h ALA 248 Ca 0.50 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1og6 h ALA 248 Cb 0.70 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1og6 h ALA 248 CO -0.35 0.18 -0.07 2.35 0.00 0.00 0.00 179.25 181.36 1og6 h TRP 249 N 0.00 0.20 -0.24 0.00 7.01 0.20 -2.82 115.95 120.29 1og6 h TRP 249 Ca -0.00 -0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.89 1og6 h TRP 249 Cb 0.81 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.82 1og6 h TRP 249 CO 0.00 0.61 -0.03 0.28 -2.79 0.00 0.00 178.44 176.51 1og6 h VAL 250 N -0.27 1.27 -0.18 2.65 2.07 -1.19 -3.11 116.25 117.49 1og6 h VAL 250 Ca 0.01 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1og6 h VAL 250 Cb 0.58 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1og6 h VAL 250 CO 0.02 0.31 0.21 0.25 0.02 0.00 0.00 177.57 178.37 1og6 h LEU 251 N 0.21 0.00 -1.81 2.57 5.85 -0.70 -2.69 115.31 118.74 1og6 h LEU 251 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1og6 h LEU 251 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1og6 h LEU 251 CO 0.02 0.00 0.00 -2.11 -0.34 0.00 0.00 178.44 176.01 1og6 n ARG 252 N -3.75 2.15 -2.33 1.25 -4.01 -1.07 -4.59 116.66 104.31 1og6 n ARG 252 Ca 0.02 -1.78 -0.39 0.00 -1.04 0.00 0.00 57.85 54.66 1og6 n ARG 252 Cb 0.33 -1.41 -0.03 0.00 -3.04 0.00 0.00 32.46 28.31 1og6 n ARG 252 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1og6 s LEU 253 N -1.14 4.38 0.40 2.89 1.43 -1.02 -4.90 118.68 120.72 1og6 s LEU 253 Ca 0.34 2.38 0.25 0.00 -1.03 0.00 0.00 54.13 56.08 1og6 s LEU 253 Cb 0.18 -3.80 1.35 0.00 0.03 0.00 0.00 46.19 43.96 1og6 s LEU 253 CO 0.25 -0.44 1.75 1.55 0.23 0.00 0.00 176.35 179.69 1og6 h PRO 254 N 3.24 0.00 0.00 1.29 0.13 -1.92 -0.28 132.00 134.46 1og6 h PRO 254 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1og6 h PRO 254 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1og6 h PRO 254 CO 0.65 0.00 -0.03 -1.13 -0.23 0.00 0.00 178.00 177.26 1og6 n SER 255 N -2.40 0.62 -2.89 1.44 3.41 -1.26 -4.95 113.62 107.59 1og6 n SER 255 Ca -0.02 0.53 -0.07 0.00 -0.26 0.00 0.00 58.87 59.06 1og6 n SER 255 Cb 0.10 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.37 1og6 n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1og6 n GLN 256 N -2.08 -2.21 -1.63 4.33 6.02 -0.12 -4.48 117.38 117.21 1og6 n GLN 256 Ca 0.06 2.02 -0.31 0.00 -0.01 0.00 0.00 57.00 58.76 1og6 n GLN 256 Cb 0.41 -5.66 0.06 0.00 1.02 0.00 0.00 30.24 26.07 1og6 n GLN 256 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1og6 s PRO 257 N -2.68 2.75 -0.39 -1.09 0.02 -1.26 -4.30 135.00 128.06 1og6 s PRO 257 Ca 0.21 0.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.00 1og6 s PRO 257 Cb -0.06 -1.98 0.11 0.00 0.02 0.00 0.00 34.50 32.59 1og6 s PRO 257 CO 0.77 -1.19 0.16 -0.51 -0.33 0.00 0.00 177.00 175.90 1og6 s LEU 258 N -5.55 5.08 0.37 -5.54 1.43 -0.63 -4.86 118.68 108.98 1og6 s LEU 258 Ca 0.58 -2.05 -0.28 0.00 -1.03 0.00 0.00 54.13 51.36 1og6 s LEU 258 Cb -0.13 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.21 1og6 s LEU 258 CO 0.54 -0.49 1.47 -2.84 0.23 0.00 0.00 176.35 175.26 1og6 s PRO 259 N 1.08 4.13 -0.31 1.29 0.02 -1.23 -2.35 135.00 137.62 1og6 s PRO 259 Ca 0.09 2.54 -0.10 0.00 0.02 0.00 0.00 61.00 63.55 1og6 s PRO 259 Cb -0.22 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 1og6 s PRO 259 CO -0.05 -0.50 0.16 0.42 -0.33 0.00 0.00 177.00 176.69 1og6 s ILE 260 N -1.12 4.64 -0.06 2.83 1.01 -1.04 -0.82 121.20 126.64 1og6 s ILE 260 Ca 0.52 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 1og6 s ILE 260 Cb -0.46 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1og6 s ILE 260 CO 0.62 0.07 1.00 -0.63 0.00 0.00 0.00 174.94 176.01 1og6 s ILE 261 N 1.62 4.80 -1.50 2.92 1.01 0.18 -4.61 121.20 125.61 1og6 s ILE 261 Ca 0.05 2.03 0.13 0.00 0.00 0.00 0.00 60.65 62.86 1og6 s ILE 261 Cb -0.17 -4.31 0.17 0.00 0.01 0.00 0.00 42.46 38.17 1og6 s ILE 261 CO 0.06 0.06 1.02 0.61 0.00 0.00 0.00 174.94 176.70 1og6 n GLY 262 N 3.03 0.64 3.78 6.18 0.00 -1.26 -0.00 105.19 117.55 1og6 n GLY 262 Ca 0.08 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1og6 n GLY 262 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1og6 s SER 263 N -1.07 7.23 0.00 1.61 0.15 -1.26 -4.81 113.70 115.55 1og6 s SER 263 Ca 0.19 1.85 0.25 0.00 0.70 0.00 0.00 55.95 58.93 1og6 s SER 263 Cb 0.12 -2.58 0.41 0.00 -1.71 0.00 0.00 66.02 62.26 1og6 s SER 263 CO 0.17 -0.14 1.35 0.61 1.20 0.00 0.00 173.24 176.43 1og6 n GLY 264 N 0.41 -0.21 3.55 9.45 0.00 -1.26 -4.81 105.19 112.33 1og6 n GLY 264 Ca 0.03 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1og6 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1og6 s LYS 265 N -2.44 3.49 0.13 1.61 1.02 -1.26 -4.91 119.74 117.38 1og6 s LYS 265 Ca 0.23 0.03 0.09 0.00 0.02 0.00 0.00 55.97 56.33 1og6 s LYS 265 Cb 0.19 -3.92 0.47 0.00 -0.52 0.00 0.00 37.83 34.05 1og6 s LYS 265 CO 0.52 -1.12 1.26 1.51 -0.92 0.00 0.00 175.35 176.60 1og6 n ILE 266 N 6.18 1.59 0.09 2.17 0.13 -1.26 -1.00 119.36 127.27 1og6 n ILE 266 Ca 0.04 0.60 -0.17 0.00 -1.10 0.00 0.00 62.75 62.11 1og6 n ILE 266 Cb 0.48 -1.60 -0.10 0.00 -0.84 0.00 0.00 39.64 37.59 1og6 n ILE 266 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1og6 h GLU 267 N 0.00 0.43 0.00 9.51 3.07 -1.98 -3.05 114.58 122.56 1og6 h GLU 267 Ca 0.00 -0.57 -0.12 0.00 -0.50 0.00 0.00 59.36 58.17 1og6 h GLU 267 Cb 0.01 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1og6 h GLU 267 CO 0.00 1.22 -0.59 0.00 -1.40 0.00 0.00 179.01 178.25 1og6 h ARG 268 N 0.19 0.00 0.27 2.33 3.08 -1.47 -2.82 114.38 115.96 1og6 h ARG 268 Ca -0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1og6 h ARG 268 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.86 1og6 h ARG 268 CO 0.20 0.59 -0.13 0.28 -1.07 0.00 0.00 179.97 179.84 1og6 h VAL 269 N 0.00 0.78 -0.91 2.04 2.07 -1.46 -1.68 116.25 117.09 1og6 h VAL 269 Ca -0.01 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.10 1og6 h VAL 269 Cb 1.34 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 32.09 1og6 h VAL 269 CO 0.08 0.11 0.55 -0.09 0.02 0.00 0.00 177.57 178.23 1og6 h ARG 270 N -0.63 0.89 -0.54 1.57 2.43 -1.57 -0.74 114.38 115.79 1og6 h ARG 270 Ca -0.04 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1og6 h ARG 270 Cb 0.45 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1og6 h ARG 270 CO 0.06 0.59 0.11 0.00 -1.51 0.00 0.00 179.97 179.22 1og6 h ALA 271 N 1.48 0.71 -0.60 2.80 0.00 -1.41 -2.06 119.26 120.18 1og6 h ALA 271 Ca 0.43 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1og6 h ALA 271 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1og6 h ALA 271 CO -0.24 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1og6 h ALA 272 N 1.00 0.86 0.00 0.00 0.00 -0.70 -2.61 119.26 117.81 1og6 h ALA 272 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1og6 h ALA 272 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1og6 h ALA 272 CO 0.01 0.67 -0.19 0.28 0.00 0.00 0.00 179.25 180.02 1og6 h VAL 273 N 0.97 1.04 -0.09 0.00 2.07 -0.93 -1.26 116.25 118.05 1og6 h VAL 273 Ca 0.17 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1og6 h VAL 273 Cb 0.55 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1og6 h VAL 273 CO 0.03 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 177.18 1og6 n GLU 274 N -4.18 1.22 0.21 1.57 1.02 -0.79 -3.42 120.64 116.27 1og6 n GLU 274 Ca -0.02 -0.34 0.14 0.00 -0.02 0.00 0.00 57.16 56.92 1og6 n GLU 274 Cb 0.26 -1.12 0.49 0.00 -0.02 0.00 0.00 31.44 31.04 1og6 n GLU 274 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1og6 h ALA 275 N 3.28 1.00 0.76 0.62 0.00 -1.22 -3.28 119.26 120.42 1og6 h ALA 275 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1og6 h ALA 275 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1og6 h ALA 275 CO 0.00 0.00 -0.36 0.93 0.00 0.00 0.00 179.25 179.82 1og6 h GLU 276 N 0.00 -0.98 -1.75 0.00 5.08 -1.77 -2.96 114.58 112.19 1og6 h GLU 276 Ca 0.00 0.07 0.54 0.00 -1.00 0.00 0.00 59.36 58.96 1og6 h GLU 276 Cb 0.63 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 30.00 1og6 h GLU 276 CO 0.00 -0.63 1.22 1.79 -1.00 0.00 0.00 179.01 180.39 1og6 h THR 277 N -1.15 0.02 -3.12 1.13 1.35 -1.85 -3.41 112.91 105.88 1og6 h THR 277 Ca -0.10 -0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.21 1og6 h THR 277 Cb 0.80 0.01 0.08 0.00 -1.73 0.00 0.00 68.15 67.32 1og6 h THR 277 CO 0.17 0.00 0.82 0.18 -0.25 0.00 0.00 175.52 176.44 1og6 n LEU 278 N -4.23 4.05 -4.04 3.87 4.77 -1.12 -4.95 117.00 115.35 1og6 n LEU 278 Ca 0.43 1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 57.22 1og6 n LEU 278 Cb 1.84 -1.55 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1og6 n LEU 278 CO 0.35 -0.00 0.22 -0.54 -1.33 0.00 0.00 177.39 176.09 1og6 s LYS 279 N -0.46 3.00 0.10 3.23 1.02 -1.26 -5.06 119.74 120.30 1og6 s LYS 279 Ca 0.65 -3.28 -0.30 0.00 0.02 0.00 0.00 55.97 53.06 1og6 s LYS 279 Cb -0.53 -3.78 -0.06 0.00 -0.52 0.00 0.00 37.83 32.94 1og6 s LYS 279 CO 0.49 -1.27 1.10 1.41 -0.92 0.00 0.00 175.35 176.16 1og6 s MET 280 N -1.35 4.54 0.32 1.68 -2.45 -1.26 -5.01 119.30 115.77 1og6 s MET 280 Ca 0.26 1.66 -0.06 0.00 -1.25 0.00 0.00 55.69 56.30 1og6 s MET 280 Cb -0.07 -3.34 -0.05 0.00 1.25 0.00 0.00 34.83 32.61 1og6 s MET 280 CO -0.13 -0.06 0.61 0.95 1.05 0.00 0.00 175.02 177.44 1og6 s THR 281 N 0.47 4.96 0.21 10.11 -4.23 -1.26 -4.96 115.64 120.94 1og6 s THR 281 Ca 0.53 0.20 -0.17 0.00 -1.18 0.00 0.00 61.69 61.07 1og6 s THR 281 Cb -0.27 -3.74 0.21 0.00 1.34 0.00 0.00 72.50 70.04 1og6 s THR 281 CO 0.31 -0.38 1.58 -0.09 -0.54 0.00 0.00 174.62 175.50 1og6 h ARG 282 N 1.54 -0.07 -0.05 3.99 2.43 -2.00 0.05 114.38 120.26 1og6 h ARG 282 Ca -0.48 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1og6 h ARG 282 Cb 1.19 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1og6 h ARG 282 CO 0.65 -0.05 0.04 1.96 -1.51 0.00 0.00 179.97 181.06 1og6 h GLN 283 N -0.08 0.00 -0.02 0.20 4.20 -1.99 -0.98 115.11 116.44 1og6 h GLN 283 Ca 0.31 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.84 1og6 h GLN 283 Cb 0.57 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1og6 h GLN 283 CO -0.80 0.00 -0.79 1.96 -0.67 0.00 0.00 178.83 178.53 1og6 h GLN 284 N 0.00 0.19 -0.40 1.46 4.20 -1.39 -1.02 115.11 118.16 1og6 h GLN 284 Ca 0.02 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1og6 h GLN 284 Cb 0.10 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1og6 h GLN 284 CO -0.00 0.89 0.11 2.35 -0.67 0.00 0.00 178.83 181.50 1og6 h TRP 285 N 0.12 0.66 0.00 2.96 7.01 -0.60 0.11 115.95 126.20 1og6 h TRP 285 Ca -0.03 -0.07 -0.06 0.00 2.11 0.00 0.00 58.89 60.83 1og6 h TRP 285 Cb 1.38 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 28.25 1og6 h TRP 285 CO 0.02 0.63 -0.29 0.74 -2.79 0.00 0.00 178.44 176.76 1og6 h PHE 286 N 0.50 0.00 -0.35 2.65 -1.00 -1.40 -1.24 116.94 116.10 1og6 h PHE 286 Ca 0.13 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.74 1og6 h PHE 286 Cb 0.29 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.85 1og6 h PHE 286 CO 0.02 0.29 -0.44 -0.09 -1.61 0.00 0.00 178.31 176.47 1og6 h ARG 287 N 0.00 0.92 -0.09 1.51 2.43 -0.65 -1.31 114.38 117.18 1og6 h ARG 287 Ca -0.00 -0.52 -0.24 0.00 -0.81 0.00 0.00 59.98 58.41 1og6 h ARG 287 Cb 0.96 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1og6 h ARG 287 CO 0.04 1.17 -0.88 0.82 -1.51 0.00 0.00 179.97 179.61 1og6 h ILE 288 N 0.72 1.29 -0.29 1.20 1.08 -0.64 -2.70 117.51 118.17 1og6 h ILE 288 Ca 0.04 -2.11 0.01 0.00 -0.39 0.00 0.00 64.86 62.42 1og6 h ILE 288 Cb 1.04 2.15 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 1og6 h ILE 288 CO 0.10 0.66 0.17 -0.09 -0.69 0.00 0.00 178.15 178.31 1og6 h ARG 289 N 0.46 0.35 -0.57 2.37 2.43 -1.18 -2.78 114.38 115.45 1og6 h ARG 289 Ca -0.08 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 1og6 h ARG 289 Cb 1.51 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 1og6 h ARG 289 CO 0.17 0.23 0.04 -0.22 -1.51 0.00 0.00 179.97 178.69 1og6 h LYS 290 N 0.36 0.98 0.00 0.20 3.64 -1.27 -1.27 116.57 119.21 1og6 h LYS 290 Ca 0.11 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1og6 h LYS 290 Cb -0.01 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1og6 h LYS 290 CO -0.05 0.96 -0.06 0.00 -2.27 0.00 0.00 179.45 178.03 1og6 h ALA 291 N 0.98 1.15 0.00 5.00 0.00 -1.39 1.31 119.26 126.31 1og6 h ALA 291 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1og6 h ALA 291 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1og6 h ALA 291 CO 0.02 0.08 -0.27 0.00 0.00 0.00 0.00 179.25 179.08 1og6 h ALA 292 N 1.94 0.03 -0.11 0.00 0.00 -1.19 -3.29 119.26 116.64 1og6 h ALA 292 Ca -0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1og6 h ALA 292 Cb 0.30 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1og6 h ALA 292 CO 0.01 0.20 -0.76 -0.07 0.00 0.00 0.00 179.25 178.62 1og6 h LEU 293 N -1.00 0.69 0.00 0.00 4.07 -1.15 -3.48 115.31 114.44 1og6 h LEU 293 Ca -0.05 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1og6 h LEU 293 Cb 0.52 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1og6 h LEU 293 CO -0.03 1.23 0.00 0.61 -1.08 0.00 0.00 178.44 179.17 1og6 n GLY 294 N 0.64 1.51 3.28 0.83 0.00 0.45 -5.05 105.19 106.84 1og6 n GLY 294 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1og6 n GLY 294 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1og6 s TYR 295 N -2.38 1.51 0.99 1.61 -0.85 -1.24 -4.96 117.35 112.03 1og6 s TYR 295 Ca 0.00 -0.57 -0.14 0.00 -0.52 0.00 0.00 57.07 55.84 1og6 s TYR 295 Cb 0.00 -0.76 0.19 0.00 0.38 0.00 0.00 41.96 41.76 1og6 s TYR 295 CO 0.00 0.21 1.15 -0.51 -1.52 0.00 0.00 175.55 174.88 1og6 s ASP 296 N -2.72 2.77 0.62 -0.18 1.01 -1.26 -4.58 116.67 112.33 1og6 s ASP 296 Ca 0.13 0.82 -0.15 0.00 0.71 0.00 0.00 52.55 54.06 1og6 s ASP 296 Cb -0.03 -1.26 -0.03 0.00 1.01 0.00 0.00 42.92 42.61 1og6 s ASP 296 CO 0.04 -3.00 1.06 0.68 0.21 0.00 0.00 175.17 174.16 1og6 s VAL 297 N -3.27 3.82 -1.20 -1.27 -7.23 -1.26 -5.10 120.40 104.89 1og6 s VAL 297 Ca 0.67 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.65 1og6 s VAL 297 Cb -0.13 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.45 1og6 s VAL 297 CO 0.54 -0.56 0.30 -2.65 -0.31 0.00 0.00 175.10 172.42