#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 0.50 -0.91 4.08 0.24 -1.06 -4.92 118.33 116.26 1og6 n VAL 2 Ca 0.00 -0.09 -0.35 0.00 -2.04 0.00 0.00 64.34 61.86 1og6 n VAL 2 Cb 0.00 -2.08 0.07 0.00 -1.47 0.00 0.00 33.84 30.36 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 6.21 -0.23 -4.09 7.34 -0.06 -1.26 -4.63 117.38 120.66 1og6 n GLN 3 Ca 0.19 -0.05 -0.28 0.00 -2.00 0.00 0.00 57.00 54.86 1og6 n GLN 3 Cb 0.36 -1.29 -0.06 0.00 -4.06 0.00 0.00 30.24 25.18 1og6 n GLN 3 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1og6 s ARG 4 N -2.57 2.78 -0.22 3.69 1.81 -1.26 -2.02 118.95 121.16 1og6 s ARG 4 Ca 0.45 -0.84 -0.05 0.00 -1.72 0.00 0.00 55.73 53.57 1og6 s ARG 4 Cb -0.14 -2.62 0.11 0.00 -0.45 0.00 0.00 34.95 31.85 1og6 s ARG 4 CO 0.75 0.51 0.41 -1.50 -0.68 0.00 0.00 175.30 174.79 1og6 s ILE 5 N -1.58 -0.65 -0.32 1.52 2.07 0.68 -4.83 121.20 118.09 1og6 s ILE 5 Ca 0.29 0.09 -0.28 0.00 -1.41 0.00 0.00 60.65 59.34 1og6 s ILE 5 Cb -0.11 -0.72 -0.02 0.00 0.13 0.00 0.00 42.46 41.74 1og6 s ILE 5 CO 0.22 0.01 1.77 -0.89 -1.91 0.00 0.00 174.94 174.14 1og6 s THR 6 N 2.60 3.51 0.39 4.00 2.01 -1.26 -1.68 115.64 125.21 1og6 s THR 6 Ca 0.04 0.52 0.08 0.00 0.31 0.00 0.00 61.69 62.63 1og6 s THR 6 Cb -0.13 -3.66 0.21 0.00 0.01 0.00 0.00 72.50 68.93 1og6 s THR 6 CO -0.14 -0.41 1.98 0.16 -0.69 0.00 0.00 174.62 175.53 1og6 h ILE 7 N 6.73 1.14 -4.26 1.82 3.07 -1.62 -3.46 117.51 120.93 1og6 h ILE 7 Ca -0.34 -0.47 -0.38 0.00 1.55 0.00 0.00 64.86 65.22 1og6 h ILE 7 Cb 1.17 0.83 -0.09 0.00 -0.27 0.00 0.00 36.82 38.45 1og6 h ILE 7 CO 1.03 0.17 -0.35 0.00 -1.05 0.00 0.00 178.15 177.95 1og6 n ALA 8 N -2.48 0.49 0.26 0.16 0.00 -1.26 0.21 120.51 117.89 1og6 n ALA 8 Ca 0.01 -1.50 -0.16 0.00 0.00 0.00 0.00 53.44 51.79 1og6 n ALA 8 Cb 0.16 1.12 -0.08 0.00 0.00 0.00 0.00 19.45 20.65 1og6 n ALA 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1og6 h PRO 9 N 0.00 -0.59 -0.10 0.00 0.11 -1.85 -3.08 132.00 126.49 1og6 h PRO 9 Ca -0.20 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1og6 h PRO 9 Cb 0.90 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1og6 h PRO 9 CO 0.31 -0.39 0.00 1.04 -0.21 0.00 0.00 178.00 178.74 1og6 n GLN 10 N -5.36 2.05 -0.34 1.05 1.13 -1.26 -5.00 117.38 109.65 1og6 n GLN 10 Ca -0.11 -1.86 -0.26 0.00 -1.94 0.00 0.00 57.00 52.82 1og6 n GLN 10 Cb 0.26 -1.42 0.25 0.00 0.11 0.00 0.00 30.24 29.44 1og6 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1og6 n GLY 11 N 1.23 -3.35 3.95 1.08 0.00 -1.17 -5.05 105.19 101.88 1og6 n GLY 11 Ca 0.14 -1.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 1og6 n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1og6 s PRO 12 N -4.53 1.18 -0.37 1.61 0.04 -1.26 -4.72 135.00 126.95 1og6 s PRO 12 Ca 0.58 -0.62 -0.05 0.00 0.04 0.00 0.00 61.00 60.95 1og6 s PRO 12 Cb -0.11 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.45 1og6 s PRO 12 CO 0.50 -1.95 0.15 -2.00 0.04 0.00 0.00 177.00 173.74 1og6 s GLU 13 N -5.57 2.39 0.49 4.56 2.12 -1.26 -1.64 118.70 119.79 1og6 s GLU 13 Ca 0.70 -1.46 0.05 0.00 0.36 0.00 0.00 54.97 54.62 1og6 s GLU 13 Cb -0.05 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.85 1og6 s GLU 13 CO 0.49 -0.85 0.68 -0.06 -0.54 0.00 0.00 175.26 174.98 1og6 s PHE 14 N 1.29 2.68 -0.08 5.30 0.08 -0.68 -4.80 117.98 121.77 1og6 s PHE 14 Ca 0.02 -0.28 -0.18 0.00 0.12 0.00 0.00 56.93 56.60 1og6 s PHE 14 Cb -0.21 -2.52 -0.05 0.00 -0.57 0.00 0.00 43.02 39.67 1og6 s PHE 14 CO -0.00 -0.69 0.49 -1.54 -0.10 0.00 0.00 175.22 173.38 1og6 s SER 15 N -4.42 6.75 0.55 1.36 1.04 -1.26 -0.23 113.70 117.50 1og6 s SER 15 Ca 0.57 0.90 0.43 0.00 0.48 0.00 0.00 55.95 58.33 1og6 s SER 15 Cb -0.10 -2.30 1.64 0.00 0.10 0.00 0.00 66.02 65.37 1og6 s SER 15 CO 0.36 0.05 1.69 -0.09 0.98 0.00 0.00 173.24 176.23 1og6 h ARG 16 N 6.30 0.00 -5.07 4.02 2.43 -1.67 -3.33 114.38 117.07 1og6 h ARG 16 Ca -0.43 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.09 1og6 h ARG 16 Cb 1.19 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 30.47 1og6 h ARG 16 CO 0.73 0.00 -0.72 -0.06 -1.51 0.00 0.00 179.97 178.41 1og6 s PHE 17 N -4.90 2.95 0.02 2.20 0.40 -1.26 -3.28 117.98 114.11 1og6 s PHE 17 Ca -0.05 -0.81 -0.08 0.00 -0.60 0.00 0.00 56.93 55.38 1og6 s PHE 17 Cb 0.25 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.67 1og6 s PHE 17 CO 0.85 -0.44 0.31 0.08 0.70 0.00 0.00 175.22 176.71 1og6 s VAL 18 N 1.22 5.24 -0.28 -0.44 1.01 -0.73 -4.53 120.40 121.89 1og6 s VAL 18 Ca 0.03 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 1og6 s VAL 18 Cb -0.14 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1og6 s VAL 18 CO -0.01 0.38 0.18 -0.32 0.00 0.00 0.00 175.10 175.34 1og6 s MET 19 N -1.68 3.95 -0.19 2.72 1.75 0.44 -0.85 119.30 125.44 1og6 s MET 19 Ca 0.28 -0.32 -0.10 0.00 -1.25 0.00 0.00 55.69 54.30 1og6 s MET 19 Cb -0.14 -3.64 -0.05 0.00 2.84 0.00 0.00 34.83 33.85 1og6 s MET 19 CO 0.15 -0.16 0.12 0.20 -0.65 0.00 0.00 175.02 174.69 1og6 s GLY 20 N 1.69 2.03 -0.82 2.11 0.00 0.53 0.34 107.32 113.21 1og6 s GLY 20 Ca 0.07 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.11 1og6 s GLY 20 CO 0.10 0.09 1.56 -1.72 0.00 0.00 0.00 173.10 173.13 1og6 n TYR 21 N 3.41 3.22 -0.01 1.90 4.02 -0.71 -4.61 117.16 124.38 1og6 n TYR 21 Ca -0.16 -2.96 -0.22 0.00 -0.01 0.00 0.00 57.90 54.55 1og6 n TYR 21 Cb 0.52 -0.90 -0.13 0.00 -0.02 0.00 0.00 39.34 38.81 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 3.52 0.39 -0.28 -0.72 7.01 -1.92 -3.35 115.95 120.61 1og6 h TRP 22 Ca 0.41 -0.28 0.00 0.00 2.11 0.00 0.00 58.89 61.13 1og6 h TRP 22 Cb 0.38 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1og6 h TRP 22 CO 1.13 1.69 0.00 0.54 -2.79 0.00 0.00 178.44 179.01 1og6 n ARG 23 N -3.75 1.75 -0.32 2.65 3.00 -1.26 -4.42 116.66 114.31 1og6 n ARG 23 Ca -0.31 -1.15 0.13 0.00 -0.01 0.00 0.00 57.85 56.51 1og6 n ARG 23 Cb 0.95 -1.31 0.26 0.00 0.00 0.00 0.00 32.46 32.36 1og6 n ARG 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1og6 n LEU 24 N 0.41 -0.13 -0.26 0.55 7.94 -1.26 0.14 117.00 124.40 1og6 n LEU 24 Ca 0.13 1.57 0.03 0.00 -1.11 0.00 0.00 56.01 56.63 1og6 n LEU 24 Cb 0.30 -0.56 0.26 0.00 0.53 0.00 0.00 43.42 43.94 1og6 n LEU 24 CO 0.10 -1.58 1.24 0.24 -1.11 0.00 0.00 177.39 176.28 1og6 h MET 25 N 0.00 0.96 0.00 1.96 2.86 -1.90 -2.28 114.93 116.54 1og6 h MET 25 Ca 0.55 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 58.07 1og6 h MET 25 Cb 1.11 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1og6 h MET 25 CO -0.87 0.64 -0.32 -0.44 1.06 0.00 0.00 176.91 176.97 1og6 h ASP 26 N 0.99 0.00 0.94 1.22 3.45 0.87 -2.82 116.42 121.07 1og6 h ASP 26 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 1og6 h ASP 26 Cb 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1og6 h ASP 26 CO -0.11 0.32 0.00 0.79 -1.57 0.00 0.00 179.24 178.67 1og6 n TRP 27 N -3.58 0.83 -3.13 4.55 8.01 -0.86 -4.95 117.44 118.31 1og6 n TRP 27 Ca -0.01 0.30 -0.12 0.00 -1.31 0.00 0.00 57.50 56.37 1og6 n TRP 27 Cb 0.45 -0.98 0.01 0.00 -2.01 0.00 0.00 31.31 28.78 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 -2.23 -6.80 -3.80 -0.99 5.03 -1.07 -5.01 115.26 100.39 1og6 n ASN 28 Ca 0.03 0.49 -0.18 0.00 0.87 0.00 0.00 54.58 55.80 1og6 n ASN 28 Cb 0.29 -2.95 -0.16 0.00 -1.02 0.00 0.00 39.78 35.93 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 -1.76 0.31 0.42 3.52 -1.94 -1.26 -5.07 119.30 113.52 1og6 s MET 29 Ca 0.14 0.10 -0.25 0.00 -1.71 0.00 0.00 55.69 53.97 1og6 s MET 29 Cb -0.02 -0.54 -0.08 0.00 2.01 0.00 0.00 34.83 36.20 1og6 s MET 29 CO 0.51 -0.16 1.17 -1.54 -0.01 0.00 0.00 175.02 174.99 1og6 s SER 30 N 1.19 6.41 0.58 3.03 1.04 -1.26 -4.64 113.70 120.04 1og6 s SER 30 Ca -0.07 2.35 0.35 0.00 0.48 0.00 0.00 55.95 59.05 1og6 s SER 30 Cb -0.13 -2.61 1.39 0.00 0.10 0.00 0.00 66.02 64.76 1og6 s SER 30 CO -0.02 -0.76 1.64 0.00 0.98 0.00 0.00 173.24 175.08 1og6 h ALA 31 N 2.46 3.00 0.27 5.32 0.00 -1.92 0.98 119.26 129.38 1og6 h ALA 31 Ca -0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1og6 h ALA 31 Cb 1.24 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1og6 h ALA 31 CO 0.62 -1.56 -0.13 -0.09 0.00 0.00 0.00 179.25 178.09 1og6 h ARG 32 N 0.00 -0.36 0.21 0.00 1.12 -1.94 -2.04 114.38 111.38 1og6 h ARG 32 Ca 0.53 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.42 1og6 h ARG 32 Cb 2.49 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 32.53 1og6 h ARG 32 CO -0.01 -0.09 -0.10 1.96 -3.11 0.00 0.00 179.97 178.62 1og6 h GLN 33 N -0.59 -0.27 -0.17 0.20 4.20 0.55 -3.20 115.11 115.83 1og6 h GLN 33 Ca -0.04 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1og6 h GLN 33 Cb 0.43 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.20 1og6 h GLN 33 CO 0.06 -0.05 -0.54 1.25 -0.67 0.00 0.00 178.83 178.88 1og6 h LEU 34 N -0.45 -1.74 -1.73 1.46 5.85 -0.97 0.61 115.31 118.33 1og6 h LEU 34 Ca -0.03 0.21 0.25 0.00 0.84 0.00 0.00 57.88 59.15 1og6 h LEU 34 Cb 0.34 0.68 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1og6 h LEU 34 CO 0.05 -0.47 0.81 0.58 -0.34 0.00 0.00 178.44 179.07 1og6 h VAL 35 N -0.56 0.26 -0.04 1.05 2.07 -1.41 0.59 116.25 118.21 1og6 h VAL 35 Ca 0.04 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1og6 h VAL 35 Cb 0.67 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1og6 h VAL 35 CO -0.46 0.00 -0.26 -1.28 0.02 0.00 0.00 177.57 175.59 1og6 h SER 36 N 0.00 0.30 -0.24 0.57 0.87 -0.89 -2.57 113.55 111.59 1og6 h SER 36 Ca 0.41 -0.68 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1og6 h SER 36 Cb 2.02 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.88 1og6 h SER 36 CO -0.00 0.93 0.13 0.15 -0.53 0.00 0.00 176.83 177.51 1og6 h PHE 37 N -0.30 0.33 -0.04 2.24 3.57 0.62 -0.74 116.94 122.63 1og6 h PHE 37 Ca -0.02 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1og6 h PHE 37 Cb 0.93 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1og6 h PHE 37 CO 0.14 0.29 0.06 0.82 -2.23 0.00 0.00 178.31 177.40 1og6 h ILE 38 N 0.27 0.34 0.00 1.41 2.04 -0.63 -1.06 117.51 119.88 1og6 h ILE 38 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1og6 h ILE 38 Cb 0.08 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1og6 h ILE 38 CO -0.01 0.00 -0.15 -0.33 0.00 0.00 0.00 178.15 177.66 1og6 h GLU 39 N 0.00 0.00 -0.83 2.37 5.08 -0.89 -3.12 114.58 117.19 1og6 h GLU 39 Ca 0.02 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.58 1og6 h GLU 39 Cb 0.13 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.24 1og6 h GLU 39 CO -0.00 0.00 0.01 0.93 -1.00 0.00 0.00 179.01 178.95 1og6 h GLU 40 N -0.89 0.08 -0.24 2.33 5.08 -0.97 -1.19 114.58 118.78 1og6 h GLU 40 Ca 0.00 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1og6 h GLU 40 Cb 0.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1og6 h GLU 40 CO 0.00 0.05 -0.47 1.12 -1.00 0.00 0.00 179.01 178.71 1og6 h HIS 41 N 0.08 0.77 -0.21 4.33 2.07 -1.36 -2.66 115.15 118.17 1og6 h HIS 41 Ca 0.47 -0.25 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 1og6 h HIS 41 Cb 0.86 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.69 1og6 h HIS 41 CO -0.45 0.98 0.00 1.47 -3.07 0.00 0.00 177.93 176.86 1og6 n LEU 42 N -4.00 1.36 0.00 6.12 -0.00 -0.53 -2.41 117.00 117.54 1og6 n LEU 42 Ca -0.03 -0.68 0.11 0.00 -0.00 0.00 0.00 56.01 55.41 1og6 n LEU 42 Cb 0.57 -0.22 -0.10 0.00 -0.00 0.00 0.00 43.42 43.67 1og6 n LEU 42 CO 0.47 0.30 -0.22 0.47 -0.00 0.00 0.00 177.39 178.41 1og6 n ASP 43 N 0.14 0.66 0.01 1.45 8.00 -0.70 -3.93 116.55 122.17 1og6 n ASP 43 Ca 0.07 -0.59 -0.07 0.00 0.71 0.00 0.00 54.79 54.91 1og6 n ASP 43 Cb 0.24 1.22 -0.13 0.00 -0.02 0.00 0.00 41.12 42.43 1og6 n ASP 43 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1og6 h LEU 44 N 0.00 0.00 0.00 0.64 3.38 -1.47 -3.48 115.31 114.39 1og6 h LEU 44 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1og6 h LEU 44 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1og6 h LEU 44 CO 0.00 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1og6 n GLY 45 N 1.48 0.84 3.56 0.83 0.00 -1.23 -2.56 105.19 108.10 1og6 n GLY 45 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.73 3.73 -0.03 1.61 1.01 -1.16 -4.59 120.40 120.25 1og6 s VAL 46 Ca 0.00 -0.21 0.17 0.00 0.00 0.00 0.00 61.98 61.94 1og6 s VAL 46 Cb 0.00 -4.77 -0.26 0.00 0.00 0.00 0.00 36.38 31.36 1og6 s VAL 46 CO 0.00 -1.68 0.35 0.35 0.00 0.00 0.00 175.10 174.12 1og6 n THR 47 N 6.87 0.07 -2.92 3.92 -2.24 -1.26 -3.49 114.28 115.22 1og6 n THR 47 Ca 0.22 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1og6 n THR 47 Cb 0.50 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.12 4.93 -0.07 4.28 2.01 -1.26 -1.48 115.64 120.94 1og6 s THR 48 Ca -0.06 1.62 0.04 0.00 0.31 0.00 0.00 61.69 63.59 1og6 s THR 48 Cb 0.10 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1og6 s THR 48 CO 0.70 0.12 -0.19 0.68 -0.69 0.00 0.00 174.62 175.23 1og6 s VAL 49 N 1.58 2.58 -0.12 3.82 -7.23 0.21 -0.42 120.40 120.82 1og6 s VAL 49 Ca 0.40 -0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 59.59 1og6 s VAL 49 Cb -0.17 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 1og6 s VAL 49 CO 0.16 0.57 0.22 -0.62 -0.31 0.00 0.00 175.10 175.12 1og6 s ASP 50 N -0.25 6.44 0.31 4.85 2.15 0.15 -1.20 116.67 129.13 1og6 s ASP 50 Ca -0.00 0.52 -0.01 0.00 0.43 0.00 0.00 52.55 53.49 1og6 s ASP 50 Cb -0.13 -2.13 -0.01 0.00 -0.30 0.00 0.00 42.92 40.34 1og6 s ASP 50 CO 0.03 0.28 0.37 -1.00 -0.17 0.00 0.00 175.17 174.68 1og6 s HIS 51 N -0.44 1.20 0.10 -5.34 3.76 0.18 -1.74 115.29 113.01 1og6 s HIS 51 Ca 0.16 -1.36 -0.25 0.00 -0.15 0.00 0.00 55.06 53.46 1og6 s HIS 51 Cb -0.13 -0.30 0.08 0.00 1.11 0.00 0.00 32.58 33.34 1og6 s HIS 51 CO 0.04 -0.98 0.74 0.00 -0.85 0.00 0.00 174.74 173.70 1og6 s ALA 52 N -3.42 -1.68 0.00 -1.40 0.00 -1.26 -3.29 121.76 110.72 1og6 s ALA 52 Ca 0.34 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1og6 s ALA 52 Cb 0.01 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1og6 s ALA 52 CO 0.20 -0.76 0.74 -3.47 0.00 0.00 0.00 175.76 172.47 1og6 n ASP 53 N -0.33 0.00 0.09 0.00 2.03 -0.60 -3.21 116.55 114.53 1og6 n ASP 53 Ca -0.13 0.74 0.10 0.00 0.52 0.00 0.00 54.79 56.02 1og6 n ASP 53 Cb 0.63 -0.24 0.42 0.00 -0.72 0.00 0.00 41.12 41.22 1og6 n ASP 53 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1og6 n ILE 54 N -1.76 0.94 -1.68 5.18 -5.35 -1.26 -4.46 119.36 110.97 1og6 n ILE 54 Ca 0.00 0.28 -0.56 0.00 -0.27 0.00 0.00 62.75 62.20 1og6 n ILE 54 Cb 0.00 -1.16 -0.07 0.00 -1.74 0.00 0.00 39.64 36.67 1og6 n ILE 54 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1og6 n TYR 55 N -1.98 1.94 -2.17 4.28 4.02 -1.20 -2.14 117.16 119.91 1og6 n TYR 55 Ca 0.02 0.53 -0.10 0.00 -0.01 0.00 0.00 57.90 58.34 1og6 n TYR 55 Cb 0.19 -2.44 -0.01 0.00 -0.02 0.00 0.00 39.34 37.06 1og6 n TYR 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1og6 n GLY 56 N 3.79 -0.02 2.34 2.72 0.00 -1.26 -1.83 105.19 110.92 1og6 n GLY 56 Ca 0.24 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.03 0.18 2.28 -0.02 0.00 -0.98 -2.62 105.19 103.01 1og6 n GLY 57 Ca -0.12 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.76 -0.44 -0.05 1.61 4.01 -0.91 -4.90 117.16 112.72 1og6 n TYR 58 Ca -0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.65 1og6 n TYR 58 Cb 0.55 -2.72 -0.07 0.00 -0.31 0.00 0.00 39.34 36.79 1og6 n TYR 58 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1og6 n GLN 59 N -2.36 1.91 -0.27 -0.72 6.02 -0.97 -4.72 117.38 116.27 1og6 n GLN 59 Ca -0.15 0.01 0.05 0.00 -0.01 0.00 0.00 57.00 56.91 1og6 n GLN 59 Cb 0.56 -1.24 0.19 0.00 1.02 0.00 0.00 30.24 30.77 1og6 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1og6 h GLU 61 N 0.55 -0.62 -0.44 0.00 5.08 -1.85 -2.00 114.58 115.30 1og6 h GLU 61 Ca 0.42 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.90 1og6 h GLU 61 Cb 0.57 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1og6 h GLU 61 CO -0.35 -0.37 0.01 0.00 -1.00 0.00 0.00 179.01 177.30 1og6 h ALA 62 N -0.25 0.42 -0.97 3.43 0.00 -1.63 -0.11 119.26 120.15 1og6 h ALA 62 Ca -0.07 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1og6 h ALA 62 Cb 0.54 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1og6 h ALA 62 CO 0.11 -0.38 0.61 0.00 0.00 0.00 0.00 179.25 179.58 1og6 h ALA 63 N 1.39 1.38 -0.04 0.00 0.00 -0.77 -1.74 119.26 119.49 1og6 h ALA 63 Ca 0.22 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1og6 h ALA 63 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1og6 h ALA 63 CO -0.36 0.32 -0.60 0.35 0.00 0.00 0.00 179.25 178.96 1og6 h PHE 64 N 1.05 0.15 0.00 0.00 3.57 -0.49 -3.00 116.94 118.23 1og6 h PHE 64 Ca 0.44 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1og6 h PHE 64 Cb 0.29 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1og6 h PHE 64 CO -0.01 0.69 0.00 0.78 -2.23 0.00 0.00 178.31 177.53 1og6 h GLY 65 N 1.62 0.00 2.00 2.40 0.00 -0.13 -2.06 103.07 106.91 1og6 h GLY 65 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1og6 h GLY 65 CO 0.08 0.00 -0.60 0.83 0.00 0.00 0.00 176.54 176.85 1og6 h GLU 66 N 0.00 0.00 -0.07 4.80 4.39 -1.36 -2.76 114.58 119.58 1og6 h GLU 66 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1og6 h GLU 66 Cb 0.40 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1og6 h GLU 66 CO 0.00 0.60 -0.37 0.00 -1.16 0.00 0.00 179.01 178.08 1og6 h ALA 67 N 1.40 0.14 0.00 3.43 0.00 -1.49 -2.98 119.26 119.76 1og6 h ALA 67 Ca -0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1og6 h ALA 67 Cb 1.32 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1og6 h ALA 67 CO 0.08 0.23 -0.26 -0.07 0.00 0.00 0.00 179.25 179.23 1og6 h LEU 68 N -0.11 0.00 -0.31 0.00 3.38 -1.54 -1.70 115.31 115.03 1og6 h LEU 68 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1og6 h LEU 68 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1og6 h LEU 68 CO 0.08 0.26 -0.44 0.11 0.09 0.00 0.00 178.44 178.54 1og6 h LYS 69 N 0.00 0.84 -0.23 1.13 1.57 -1.48 0.50 116.57 118.90 1og6 h LYS 69 Ca -0.00 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1og6 h LYS 69 Cb 0.51 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1og6 h LYS 69 CO 0.03 1.13 0.00 1.47 -0.57 0.00 0.00 179.45 181.52 1og6 n LEU 70 N -4.09 2.17 -2.92 2.94 -0.00 -1.13 -4.09 117.00 109.88 1og6 n LEU 70 Ca -0.04 -0.91 -0.13 0.00 -0.00 0.00 0.00 56.01 54.93 1og6 n LEU 70 Cb 0.57 -0.14 0.04 0.00 -0.00 0.00 0.00 43.42 43.88 1og6 n LEU 70 CO 0.48 0.46 0.09 0.00 -0.00 0.00 0.00 177.39 178.43 1og6 n ALA 71 N 0.66 0.29 0.35 1.47 0.00 -0.65 -4.99 120.51 117.63 1og6 n ALA 71 Ca 0.17 -2.23 0.04 0.00 0.00 0.00 0.00 53.44 51.43 1og6 n ALA 71 Cb 0.41 -1.08 0.21 0.00 0.00 0.00 0.00 19.45 18.99 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 0.53 0.05 0.00 0.00 -0.04 0.16 -2.50 135.00 133.19 1og6 n PRO 72 Ca 0.14 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1og6 n PRO 72 Cb 0.67 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.37 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 -1.42 0.00 -0.09 0.54 1.44 -1.26 -3.92 115.22 110.51 1og6 n HIS 73 Ca 0.03 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.57 1og6 n HIS 73 Cb 0.09 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.10 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 0.00 -0.67 2.39 3.38 -1.82 -3.41 115.31 115.19 1og6 h LEU 74 Ca 0.00 -0.61 0.10 0.00 0.09 0.00 0.00 57.88 57.46 1og6 h LEU 74 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 1og6 h LEU 74 CO 0.00 1.23 -0.26 -1.14 0.09 0.00 0.00 178.44 178.36 1og6 n ARG 75 N -4.52 -0.16 0.28 1.13 3.00 -1.25 0.98 116.66 116.12 1og6 n ARG 75 Ca -0.22 1.02 0.18 0.00 -0.00 0.00 0.00 57.85 58.84 1og6 n ARG 75 Cb 0.56 -1.52 0.97 0.00 0.00 0.00 0.00 32.46 32.46 1og6 n ARG 75 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1og6 h GLU 76 N 0.00 0.00 -0.10 -0.14 3.07 -1.85 -1.94 114.58 113.63 1og6 h GLU 76 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1og6 h GLU 76 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1og6 h GLU 76 CO -0.66 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 177.49 1og6 n ARG 77 N -3.49 1.40 -4.13 2.33 1.74 0.28 -4.92 116.66 109.86 1og6 n ARG 77 Ca -0.01 -0.60 -0.11 0.00 -0.77 0.00 0.00 57.85 56.35 1og6 n ARG 77 Cb 0.20 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.87 1.31 -0.12 5.56 0.23 -0.73 -4.75 119.30 118.93 1og6 s MET 78 Ca 0.28 -1.50 0.02 0.00 -1.03 0.00 0.00 55.69 53.46 1og6 s MET 78 Cb 0.14 0.34 -0.00 0.00 -1.53 0.00 0.00 34.83 33.77 1og6 s MET 78 CO 0.22 -0.47 -0.19 -1.21 -2.03 0.00 0.00 175.02 171.34 1og6 s GLU 79 N -4.11 3.18 -0.19 3.16 8.01 -0.55 -4.98 118.70 123.23 1og6 s GLU 79 Ca 0.33 -0.80 -0.08 0.00 0.01 0.00 0.00 54.97 54.44 1og6 s GLU 79 Cb 0.05 -2.45 -0.04 0.00 -4.31 0.00 0.00 34.13 27.37 1og6 s GLU 79 CO 0.11 0.17 0.08 0.42 0.01 0.00 0.00 175.26 176.04 1og6 s ILE 80 N 0.41 4.88 -0.07 -1.63 1.01 -1.26 -0.62 121.20 123.92 1og6 s ILE 80 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.56 1og6 s ILE 80 Cb -0.17 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 1og6 s ILE 80 CO 0.07 0.45 -0.22 -0.69 0.00 0.00 0.00 174.94 174.54 1og6 s VAL 81 N 0.45 2.33 0.23 2.92 1.01 -0.34 -1.78 120.40 125.21 1og6 s VAL 81 Ca 0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 1og6 s VAL 81 Cb -0.12 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1og6 s VAL 81 CO 0.00 0.57 0.36 -0.55 0.00 0.00 0.00 175.10 175.48 1og6 s SER 82 N -0.15 -0.01 0.39 3.32 0.15 0.11 0.51 113.70 118.02 1og6 s SER 82 Ca -0.03 -1.05 0.05 0.00 0.70 0.00 0.00 55.95 55.62 1og6 s SER 82 Cb -0.14 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1og6 s SER 82 CO 0.04 -1.03 0.20 -0.54 1.20 0.00 0.00 173.24 173.11 1og6 s LYS 83 N -4.05 1.89 -0.21 5.44 1.02 -1.21 0.27 119.74 122.89 1og6 s LYS 83 Ca 0.27 -2.14 -0.30 0.00 0.02 0.00 0.00 55.97 53.81 1og6 s LYS 83 Cb 0.02 -0.20 0.16 0.00 -0.52 0.00 0.00 37.83 37.28 1og6 s LYS 83 CO 0.09 -0.58 1.17 0.00 -0.92 0.00 0.00 175.35 175.11 1og6 n GLY 85 N 0.51 -0.21 3.31 0.00 0.00 -1.26 -1.44 105.19 106.09 1og6 n GLY 85 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.69 1.85 -0.32 -0.61 1.01 -1.26 -2.40 121.20 118.78 1og6 s ILE 86 Ca 0.00 -1.52 0.03 0.00 0.00 0.00 0.00 60.65 59.16 1og6 s ILE 86 Cb 0.00 -1.65 0.09 0.00 0.01 0.00 0.00 42.46 40.91 1og6 s ILE 86 CO 0.00 0.04 0.04 0.00 0.00 0.00 0.00 174.94 175.02 1og6 s ALA 87 N -1.06 2.57 0.61 9.38 0.00 -0.35 -4.76 121.76 128.16 1og6 s ALA 87 Ca 0.09 -2.25 -0.12 0.00 0.00 0.00 0.00 51.96 49.68 1og6 s ALA 87 Cb -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1og6 s ALA 87 CO 0.04 -1.61 1.02 0.99 0.00 0.00 0.00 175.76 176.20 1og6 s THR 88 N 1.07 4.64 -1.38 0.00 2.01 -1.26 -2.54 115.64 118.18 1og6 s THR 88 Ca 0.08 0.93 0.05 0.00 0.31 0.00 0.00 61.69 63.06 1og6 s THR 88 Cb -0.19 -3.82 0.20 0.00 0.01 0.00 0.00 72.50 68.70 1og6 s THR 88 CO -0.11 -1.05 0.98 0.35 -0.69 0.00 0.00 174.62 174.10 1og6 n THR 89 N -2.56 0.51 1.21 -0.82 -2.24 -1.26 -3.54 114.28 105.58 1og6 n THR 89 Ca 0.06 -0.32 0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1og6 n THR 89 Cb 0.54 -0.17 0.61 0.00 -2.10 0.00 0.00 70.33 69.21 1og6 n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1og6 n ALA 90 N 0.12 2.23 -2.34 6.98 0.00 -1.26 -4.62 120.51 121.62 1og6 n ALA 90 Ca 0.07 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1og6 n ALA 90 Cb 0.34 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.27 1og6 n ALA 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1og6 s ARG 91 N -2.33 1.94 0.35 0.00 0.52 -1.23 -5.04 118.95 113.16 1og6 s ARG 91 Ca 0.27 -0.97 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 1og6 s ARG 91 Cb 0.15 -1.96 0.65 0.00 0.52 0.00 0.00 34.95 34.31 1og6 s ARG 91 CO 0.31 0.53 1.99 1.05 0.02 0.00 0.00 175.30 179.19 1og6 h GLU 92 N 5.26 0.77 -0.07 3.54 4.11 -1.92 -2.95 114.58 123.32 1og6 h GLU 92 Ca -0.44 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 58.95 1og6 h GLU 92 Cb 1.13 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1og6 h GLU 92 CO 0.46 0.54 -0.07 0.93 0.07 0.00 0.00 179.01 180.94 1og6 h GLU 93 N 0.78 -0.09 -5.95 1.06 3.07 -1.95 -3.36 114.58 108.14 1og6 h GLU 93 Ca 0.20 0.01 -0.45 0.00 -0.50 0.00 0.00 59.36 58.62 1og6 h GLU 93 Cb -0.03 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 1og6 h GLU 93 CO -0.04 -0.06 1.12 -0.80 -1.40 0.00 0.00 179.01 177.83 1og6 s ASN 94 N -5.12 5.75 0.00 1.42 0.01 -1.12 -4.78 114.94 111.11 1og6 s ASN 94 Ca -0.14 -0.82 0.26 0.00 -0.71 0.00 0.00 52.86 51.45 1og6 s ASN 94 Cb 0.08 -2.56 1.34 0.00 0.41 0.00 0.00 41.25 40.53 1og6 s ASN 94 CO 0.67 -2.16 1.88 1.33 -1.51 0.00 0.00 177.10 177.31 1og6 n VAL 95 N 7.30 0.15 -3.69 1.60 0.24 -1.26 -4.43 118.33 118.23 1og6 n VAL 95 Ca 0.32 0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 62.52 1og6 n VAL 95 Cb 0.49 -0.61 -0.07 0.00 -1.47 0.00 0.00 33.84 32.18 1og6 n VAL 95 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1og6 s ILE 96 N -2.50 0.05 -0.05 1.34 2.07 -1.26 -5.06 121.20 115.79 1og6 s ILE 96 Ca 0.26 -0.43 -0.30 0.00 -1.41 0.00 0.00 60.65 58.78 1og6 s ILE 96 Cb 0.17 -0.82 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 1og6 s ILE 96 CO 0.38 -0.23 1.24 -0.83 -1.91 0.00 0.00 174.94 173.59 1og6 s GLY 97 N -1.63 2.05 0.00 1.50 0.00 -1.26 -4.74 107.32 103.24 1og6 s GLY 97 Ca -0.09 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1og6 s GLY 97 CO 0.02 2.27 0.00 -2.39 0.00 0.00 0.00 173.10 173.00 1og6 n HIS 98 N 5.25 -0.05 -4.27 1.90 1.44 -1.05 -5.04 115.22 113.40 1og6 n HIS 98 Ca 0.11 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.60 1og6 n HIS 98 Cb 0.46 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.45 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 -2.61 1.67 -0.40 -1.40 2.02 -1.26 -1.21 117.35 114.15 1og6 s TYR 99 Ca 0.00 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.30 1og6 s TYR 99 Cb 0.00 -0.89 0.20 0.00 -0.40 0.00 0.00 41.96 40.87 1og6 s TYR 99 CO 0.00 0.20 0.41 -0.89 -1.57 0.00 0.00 175.55 173.70 1og6 n ILE 100 N 0.87 -1.02 -0.01 2.71 5.41 -1.01 -4.84 119.36 121.46 1og6 n ILE 100 Ca -0.18 -3.64 -0.06 0.00 1.00 0.00 0.00 62.75 59.87 1og6 n ILE 100 Cb 0.55 -1.77 0.13 0.00 -0.71 0.00 0.00 39.64 37.84 1og6 n ILE 100 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1og6 n THR 101 N 2.31 1.77 -2.22 1.39 -2.24 -1.26 -4.49 114.28 109.53 1og6 n THR 101 Ca 0.27 -0.82 -0.41 0.00 -2.27 0.00 0.00 64.05 60.81 1og6 n THR 101 Cb 0.50 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1og6 n THR 101 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1og6 s ASP 102 N -0.21 6.90 0.12 3.42 2.15 -1.26 -4.53 116.67 123.26 1og6 s ASP 102 Ca 0.27 2.40 -0.23 0.00 0.43 0.00 0.00 52.55 55.41 1og6 s ASP 102 Cb 0.22 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 40.18 1og6 s ASP 102 CO 0.06 -0.52 1.40 -0.09 -0.17 0.00 0.00 175.17 175.85 1og6 h ARG 103 N 5.37 -0.01 -0.12 4.34 1.12 -1.92 -0.43 114.38 122.73 1og6 h ARG 103 Ca -0.45 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.42 1og6 h ARG 103 Cb 1.21 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.17 1og6 h ARG 103 CO 0.77 -0.01 0.04 -0.44 -3.11 0.00 0.00 179.97 177.22 1og6 h ASP 104 N -0.01 0.15 -0.35 -3.80 5.19 -1.92 -2.83 116.42 112.84 1og6 h ASP 104 Ca 0.12 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.45 1og6 h ASP 104 Cb 0.31 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1og6 h ASP 104 CO -0.69 0.15 -0.04 -0.74 -3.12 0.00 0.00 179.24 174.80 1og6 h HIS 105 N 0.17 0.73 0.61 4.55 2.76 -1.42 -1.94 115.15 120.61 1og6 h HIS 105 Ca 0.04 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.05 1og6 h HIS 105 Cb 0.05 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.83 1og6 h HIS 105 CO 0.00 0.79 -0.38 0.82 -1.30 0.00 0.00 177.93 177.86 1og6 h ILE 106 N 0.45 0.00 -0.30 6.26 2.04 -1.17 0.16 117.51 124.95 1og6 h ILE 106 Ca 0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1og6 h ILE 106 Cb 0.53 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1og6 h ILE 106 CO 0.03 0.00 0.53 0.40 0.00 0.00 0.00 178.15 179.11 1og6 h ILE 107 N -0.93 0.18 0.01 -0.67 2.04 -1.57 0.52 117.51 117.09 1og6 h ILE 107 Ca -0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1og6 h ILE 107 Cb 0.74 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1og6 h ILE 107 CO 0.08 0.00 -0.00 0.50 0.00 0.00 0.00 178.15 178.72 1og6 h LYS 108 N 0.00 -0.01 -0.44 2.37 3.64 -0.45 -3.12 116.57 118.56 1og6 h LYS 108 Ca 0.14 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1og6 h LYS 108 Cb 1.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1og6 h LYS 108 CO -0.00 0.81 0.04 0.77 -2.27 0.00 0.00 179.45 178.80 1og6 h SER 109 N -0.87 0.65 0.21 4.20 0.02 0.27 -2.53 113.55 115.49 1og6 h SER 109 Ca -0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1og6 h SER 109 Cb 0.82 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1og6 h SER 109 CO 0.00 0.69 -0.10 0.00 -1.14 0.00 0.00 176.83 176.28 1og6 h ALA 110 N 1.39 -0.28 0.00 3.77 0.00 -0.62 -2.16 119.26 121.36 1og6 h ALA 110 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1og6 h ALA 110 Cb 0.35 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1og6 h ALA 110 CO 0.01 -0.51 -0.01 0.93 0.00 0.00 0.00 179.25 179.67 1og6 h GLU 111 N -0.58 0.00 0.07 0.00 5.08 -1.52 -1.37 114.58 116.26 1og6 h GLU 111 Ca -0.03 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.05 1og6 h GLU 111 Cb 0.43 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.70 1og6 h GLU 111 CO 0.05 0.01 -1.15 0.37 -1.00 0.00 0.00 179.01 177.29 1og6 h GLN 112 N 0.00 0.65 -0.57 2.33 5.75 -1.32 -2.77 115.11 119.19 1og6 h GLN 112 Ca -0.00 -0.80 -0.00 0.00 -0.15 0.00 0.00 58.65 57.70 1og6 h GLN 112 Cb 0.25 0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 1og6 h GLN 112 CO 0.00 1.36 0.35 0.77 -2.65 0.00 0.00 178.83 178.66 1og6 h SER 113 N 0.31 0.68 -0.81 -0.69 0.02 -0.60 0.45 113.55 112.91 1og6 h SER 113 Ca -0.16 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1og6 h SER 113 Cb 1.82 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 64.13 1og6 h SER 113 CO 0.22 0.53 0.50 -0.07 -1.14 0.00 0.00 176.83 176.88 1og6 h LEU 114 N 0.77 0.81 -0.29 5.07 -0.00 -1.42 -0.56 115.31 119.69 1og6 h LEU 114 Ca 0.20 0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 58.04 1og6 h LEU 114 Cb -0.02 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.46 1og6 h LEU 114 CO -0.04 0.54 -0.04 0.40 -0.00 0.00 0.00 178.44 179.30 1og6 h ILE 115 N 0.95 1.27 -0.47 1.22 2.04 -0.92 -1.36 117.51 120.25 1og6 h ILE 115 Ca 0.34 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.06 1og6 h ILE 115 Cb 0.09 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1og6 h ILE 115 CO -0.14 0.33 -0.13 0.78 0.00 0.00 0.00 178.15 178.99 1og6 h ASN 116 N 0.30 0.92 -0.02 1.72 2.35 0.14 -2.86 115.58 118.14 1og6 h ASN 116 Ca 0.08 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1og6 h ASN 116 Cb 0.50 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1og6 h ASN 116 CO 0.02 1.08 0.00 0.18 -1.65 0.00 0.00 177.43 177.06 1og6 n LEU 117 N -4.22 0.35 -3.92 1.61 4.77 -0.24 -3.47 117.00 111.88 1og6 n LEU 117 Ca -0.00 -0.13 -0.28 0.00 -0.03 0.00 0.00 56.01 55.57 1og6 n LEU 117 Cb 0.40 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1og6 n LEU 117 CO 0.45 0.07 -0.02 0.00 -1.33 0.00 0.00 177.39 176.55 1og6 n ALA 118 N -0.65 -1.60 -2.49 -1.18 0.00 -0.95 -4.47 120.51 109.17 1og6 n ALA 118 Ca 0.19 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.40 1og6 n ALA 118 Cb 0.15 -3.13 -0.12 0.00 0.00 0.00 0.00 19.45 16.35 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 -3.52 1.73 -1.33 0.00 -1.32 -0.55 -4.87 115.64 105.78 1og6 s THR 119 Ca 0.39 -1.78 0.26 0.00 -1.21 0.00 0.00 61.69 59.35 1og6 s THR 119 Cb -0.20 -1.72 0.13 0.00 -1.51 0.00 0.00 72.50 69.20 1og6 s THR 119 CO 0.85 -0.25 1.49 -0.90 -2.21 0.00 0.00 174.62 173.61 1og6 n ASP 120 N 0.57 0.71 -3.51 8.08 5.75 -1.26 -4.45 116.55 122.44 1og6 n ASP 120 Ca -0.15 -0.52 -0.10 0.00 -0.01 0.00 0.00 54.79 54.01 1og6 n ASP 120 Cb 0.56 0.19 -0.02 0.00 -1.03 0.00 0.00 41.12 40.82 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 -2.78 -0.41 0.16 2.11 -3.43 -1.26 -4.58 115.29 105.10 1og6 s HIS 121 Ca 0.17 0.20 0.08 0.00 -0.80 0.00 0.00 55.06 54.72 1og6 s HIS 121 Cb 0.18 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.86 1og6 s HIS 121 CO 0.62 -0.76 -0.10 -0.51 -2.00 0.00 0.00 174.74 171.99 1og6 s LEU 122 N -2.67 2.96 -0.09 5.38 1.43 0.13 -4.94 118.68 120.88 1og6 s LEU 122 Ca 0.04 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 1og6 s LEU 122 Cb -0.01 -1.69 -0.24 0.00 0.03 0.00 0.00 46.19 44.28 1og6 s LEU 122 CO -0.09 0.13 0.48 0.47 0.23 0.00 0.00 176.35 177.57 1og6 n ASP 123 N 0.27 1.42 -3.76 2.29 8.00 -0.73 -0.76 116.55 123.28 1og6 n ASP 123 Ca -0.12 0.29 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 1og6 n ASP 123 Cb 0.54 -0.38 -0.15 0.00 -0.02 0.00 0.00 41.12 41.11 1og6 n ASP 123 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1og6 s LEU 124 N -6.49 0.87 -0.14 0.64 0.20 -0.83 -0.66 118.68 112.27 1og6 s LEU 124 Ca -0.14 0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.87 1og6 s LEU 124 Cb 0.07 0.14 0.00 0.00 -0.43 0.00 0.00 46.19 45.97 1og6 s LEU 124 CO 0.79 -0.14 -0.20 -0.22 -0.29 0.00 0.00 176.35 176.29 1og6 s LEU 125 N 1.16 2.26 -0.12 -0.68 0.20 -0.93 -0.71 118.68 119.86 1og6 s LEU 125 Ca -0.09 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 54.21 1og6 s LEU 125 Cb -0.12 -1.49 -0.01 0.00 -0.43 0.00 0.00 46.19 44.14 1og6 s LEU 125 CO -0.04 0.10 -0.17 -0.76 -0.29 0.00 0.00 176.35 175.19 1og6 s LEU 126 N 0.71 2.52 -0.59 -0.68 1.02 0.14 -0.97 118.68 120.83 1og6 s LEU 126 Ca -0.09 -0.40 -0.27 0.00 0.02 0.00 0.00 54.13 53.40 1og6 s LEU 126 Cb -0.16 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.49 1og6 s LEU 126 CO 0.01 0.17 1.82 -0.63 0.02 0.00 0.00 176.35 177.74 1og6 s ILE 127 N 0.32 3.39 0.19 -0.59 -1.09 -0.55 -1.62 121.20 121.25 1og6 s ILE 127 Ca -0.13 0.26 -0.09 0.00 -2.23 0.00 0.00 60.65 58.45 1og6 s ILE 127 Cb -0.16 -3.96 0.26 0.00 -1.58 0.00 0.00 42.46 37.02 1og6 s ILE 127 CO 0.07 -0.90 1.14 1.57 -1.23 0.00 0.00 174.94 175.59 1og6 n HIS 128 N 12.31 0.15 -3.75 3.97 -0.00 -0.52 -2.31 115.22 125.06 1og6 n HIS 128 Ca 0.20 0.90 -0.13 0.00 0.46 0.00 0.00 57.72 59.14 1og6 n HIS 128 Cb 0.51 -0.85 -0.09 0.00 -0.12 0.00 0.00 29.99 29.44 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 -5.82 0.65 0.00 1.57 6.06 -1.25 -4.35 118.95 115.82 1og6 s ARG 129 Ca -0.11 -0.09 -0.30 0.00 -2.50 0.00 0.00 55.73 52.74 1og6 s ARG 129 Cb 0.18 0.29 -0.06 0.00 0.06 0.00 0.00 34.95 35.41 1og6 s ARG 129 CO 0.55 -0.17 1.58 -1.25 -2.50 0.00 0.00 175.30 173.50 1og6 s PRO 130 N -1.13 4.22 -0.16 5.12 0.04 -1.26 -4.95 135.00 136.88 1og6 s PRO 130 Ca -0.12 2.17 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 1og6 s PRO 130 Cb -0.05 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.73 1og6 s PRO 130 CO 0.04 -0.73 0.02 0.34 0.04 0.00 0.00 177.00 176.71 1og6 s ASP 131 N 2.58 5.28 0.49 6.66 2.15 -1.26 -4.99 116.67 127.58 1og6 s ASP 131 Ca 0.71 0.02 0.17 0.00 0.43 0.00 0.00 52.55 53.87 1og6 s ASP 131 Cb -0.35 -1.83 1.19 0.00 -0.30 0.00 0.00 42.92 41.63 1og6 s ASP 131 CO 0.29 0.21 2.06 -0.65 -0.17 0.00 0.00 175.17 176.91 1og6 h PRO 132 N 6.44 0.17 -0.72 4.34 0.11 -2.00 -0.88 132.00 139.45 1og6 h PRO 132 Ca -0.37 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 1og6 h PRO 132 Cb 1.18 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1og6 h PRO 132 CO 0.65 0.11 0.16 1.28 -0.21 0.00 0.00 178.00 179.99 1og6 n LEU 133 N -4.47 5.63 -4.73 2.35 4.77 -1.26 -4.97 117.00 114.31 1og6 n LEU 133 Ca 0.04 -2.90 -0.41 0.00 -0.03 0.00 0.00 56.01 52.71 1og6 n LEU 133 Cb 0.29 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 1og6 n LEU 133 CO 0.35 0.70 0.70 -0.32 -1.33 0.00 0.00 177.39 177.49 1og6 s MET 134 N -2.72 4.69 -0.37 3.23 1.75 -0.34 -4.94 119.30 120.61 1og6 s MET 134 Ca 0.50 1.53 -0.01 0.00 -1.25 0.00 0.00 55.69 56.46 1og6 s MET 134 Cb 0.40 -3.34 0.10 0.00 2.84 0.00 0.00 34.83 34.82 1og6 s MET 134 CO 0.13 0.21 0.12 0.34 -0.65 0.00 0.00 175.02 175.17 1og6 s ASP 135 N -0.15 5.05 0.28 1.11 3.68 -1.26 -4.99 116.67 120.39 1og6 s ASP 135 Ca 0.47 -1.92 0.07 0.00 2.13 0.00 0.00 52.55 53.31 1og6 s ASP 135 Cb -0.25 -1.75 0.82 0.00 -1.45 0.00 0.00 42.92 40.29 1og6 s ASP 135 CO 0.31 -0.44 1.34 0.00 0.13 0.00 0.00 175.17 176.51 1og6 n ALA 136 N 4.51 0.59 -0.18 3.66 0.00 -1.26 0.24 120.51 128.07 1og6 n ALA 136 Ca -0.03 0.90 -0.07 0.00 0.00 0.00 0.00 53.44 54.24 1og6 n ALA 136 Cb 0.42 -0.74 0.08 0.00 0.00 0.00 0.00 19.45 19.21 1og6 n ALA 136 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1og6 h ASP 137 N 0.00 0.94 -0.54 0.00 3.32 -1.95 -0.71 116.42 117.48 1og6 h ASP 137 Ca 0.59 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1og6 h ASP 137 Cb 1.35 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1og6 h ASP 137 CO -0.75 0.99 0.06 -0.33 -1.72 0.00 0.00 179.24 177.49 1og6 h GLU 138 N 0.90 0.92 -0.27 3.56 5.08 -0.57 -2.23 114.58 121.96 1og6 h GLU 138 Ca 0.17 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 1og6 h GLU 138 Cb 0.50 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1og6 h GLU 138 CO 0.02 0.90 -0.44 0.28 -1.00 0.00 0.00 179.01 178.77 1og6 h VAL 139 N 0.80 1.30 -0.62 3.13 2.07 -1.32 -2.59 116.25 119.02 1og6 h VAL 139 Ca 0.16 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 1og6 h VAL 139 Cb 0.45 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1og6 h VAL 139 CO 0.02 0.52 0.21 0.00 0.02 0.00 0.00 177.57 178.34 1og6 h ALA 140 N 0.97 1.21 -0.30 1.67 0.00 -0.96 -2.06 119.26 119.78 1og6 h ALA 140 Ca 0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1og6 h ALA 140 Cb 0.98 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1og6 h ALA 140 CO 0.09 0.56 -0.46 -0.44 0.00 0.00 0.00 179.25 179.01 1og6 h ASP 141 N 0.90 0.92 -0.07 0.00 3.32 -1.30 -0.82 116.42 119.37 1og6 h ASP 141 Ca 0.21 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1og6 h ASP 141 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1og6 h ASP 141 CO -0.01 1.25 0.00 0.00 -1.72 0.00 0.00 179.24 178.76 1og6 h ALA 142 N 0.69 1.72 -0.03 3.45 0.00 -1.27 -2.14 119.26 121.69 1og6 h ALA 142 Ca 0.03 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1og6 h ALA 142 Cb 1.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1og6 h ALA 142 CO 0.11 0.21 -0.69 0.74 0.00 0.00 0.00 179.25 179.62 1og6 h PHE 143 N 0.21 0.75 -0.49 0.00 -1.00 -1.05 -2.34 116.94 113.03 1og6 h PHE 143 Ca 0.05 -0.39 -0.00 0.00 2.81 0.00 0.00 57.97 60.44 1og6 h PHE 143 Cb 0.15 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 1og6 h PHE 143 CO 0.00 1.20 0.30 0.87 -1.61 0.00 0.00 178.31 179.07 1og6 h LYS 144 N 0.09 0.65 0.11 1.51 1.79 -0.87 -1.89 116.57 117.96 1og6 h LYS 144 Ca -0.08 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1og6 h LYS 144 Cb 1.37 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1og6 h LYS 144 CO 0.14 0.45 -0.05 1.25 -1.08 0.00 0.00 179.45 180.16 1og6 h HIS 145 N 0.66 -0.14 -0.66 -1.35 2.76 -1.38 -2.02 115.15 113.02 1og6 h HIS 145 Ca 0.18 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.53 1og6 h HIS 145 Cb -0.03 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 1og6 h HIS 145 CO 0.00 -0.09 0.77 -0.07 -1.30 0.00 0.00 177.93 177.25 1og6 h LEU 146 N -0.21 0.00 0.04 0.26 3.38 -1.38 -0.40 115.31 117.00 1og6 h LEU 146 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1og6 h LEU 146 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1og6 h LEU 146 CO 0.02 0.00 -0.02 -0.74 0.09 0.00 0.00 178.44 177.80 1og6 h HIS 147 N 0.00 -0.05 0.00 1.13 2.76 -1.31 -2.57 115.15 115.11 1og6 h HIS 147 Ca 0.31 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1og6 h HIS 147 Cb 1.85 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.83 1og6 h HIS 147 CO 0.00 0.59 0.00 1.04 -1.30 0.00 0.00 177.93 178.26 1og6 n GLN 148 N -4.74 0.80 0.00 5.26 6.02 -0.19 -1.16 117.38 123.36 1og6 n GLN 148 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1og6 n GLN 148 Cb 0.32 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1og6 n GLN 148 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1og6 n SER 149 N 0.27 1.20 0.00 1.08 7.64 -1.01 -4.99 113.62 117.81 1og6 n SER 149 Ca 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1og6 n SER 149 Cb 0.27 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1og6 n SER 149 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1og6 n GLY 150 N 1.20 0.55 0.18 0.23 0.00 -0.31 -4.87 105.19 102.18 1og6 n GLY 150 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1og6 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1og6 h LYS 151 N 1.50 0.00 -3.55 1.61 1.57 -1.70 -3.43 116.57 112.57 1og6 h LYS 151 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1og6 h LYS 151 Cb 0.13 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.07 1og6 h LYS 151 CO 0.00 0.35 -0.75 0.08 -0.57 0.00 0.00 179.45 178.56 1og6 s VAL 152 N -3.35 0.10 -0.07 0.50 1.01 -1.04 0.22 120.40 117.76 1og6 s VAL 152 Ca 0.02 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1og6 s VAL 152 Cb 0.09 -0.27 -0.23 0.00 0.00 0.00 0.00 36.38 35.97 1og6 s VAL 152 CO 0.69 0.18 1.03 0.03 0.00 0.00 0.00 175.10 177.03 1og6 h ARG 153 N 7.96 0.06 -4.86 2.72 2.47 -1.07 -3.39 114.38 118.27 1og6 h ARG 153 Ca -0.26 -0.06 -0.31 0.00 -1.26 0.00 0.00 59.98 58.09 1og6 h ARG 153 Cb 1.13 0.02 -0.15 0.00 -1.65 0.00 0.00 29.97 29.31 1og6 h ARG 153 CO 0.30 0.80 -0.66 -1.01 0.56 0.00 0.00 179.97 179.96 1og6 s HIS 154 N -3.23 1.30 0.10 3.04 3.76 0.17 -5.02 115.29 115.41 1og6 s HIS 154 Ca -0.17 -1.02 0.06 0.00 -0.15 0.00 0.00 55.06 53.77 1og6 s HIS 154 Cb -0.00 -0.75 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 1og6 s HIS 154 CO 0.70 -0.20 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.19 1og6 s PHE 155 N -3.63 1.34 0.35 1.40 0.40 -1.26 -2.19 117.98 114.38 1og6 s PHE 155 Ca 0.26 -0.52 -0.18 0.00 -0.60 0.00 0.00 56.93 55.90 1og6 s PHE 155 Cb 0.06 -0.72 0.05 0.00 0.51 0.00 0.00 43.02 42.92 1og6 s PHE 155 CO 0.06 0.11 0.78 0.20 0.70 0.00 0.00 175.22 177.07 1og6 s GLY 156 N -2.17 0.23 0.49 4.36 0.00 -0.14 -0.83 107.32 109.25 1og6 s GLY 156 Ca 0.05 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1og6 s GLY 156 CO 0.03 -0.15 0.02 -1.34 0.00 0.00 0.00 173.10 171.66 1og6 s VAL 157 N -2.75 1.14 -0.16 1.40 -7.23 -0.99 -1.48 120.40 110.32 1og6 s VAL 157 Ca 0.14 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1og6 s VAL 157 Cb -0.05 -2.25 0.06 0.00 0.56 0.00 0.00 36.38 34.70 1og6 s VAL 157 CO 0.10 0.00 0.36 -0.55 -0.31 0.00 0.00 175.10 174.70 1og6 s SER 158 N -3.82 -0.29 -1.07 4.85 0.15 -0.98 -2.32 113.70 110.23 1og6 s SER 158 Ca 0.11 0.81 -0.03 0.00 0.70 0.00 0.00 55.95 57.54 1og6 s SER 158 Cb 0.02 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 1og6 s SER 158 CO 0.06 -0.20 0.38 0.59 1.20 0.00 0.00 173.24 175.26 1og6 n ASN 159 N 4.67 -4.62 -4.83 5.45 3.02 -0.94 -3.94 115.26 114.07 1og6 n ASN 159 Ca -0.18 -0.18 -0.38 0.00 -0.03 0.00 0.00 54.58 53.81 1og6 n ASN 159 Cb 0.53 -3.51 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 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 -2.95 3.74 0.73 3.10 2.99 -1.26 -4.48 117.98 119.86 1og6 s PHE 160 Ca 0.19 1.06 -0.11 0.00 0.00 0.00 0.00 56.93 58.07 1og6 s PHE 160 Cb -0.08 -2.34 0.03 0.00 0.00 0.00 0.00 43.02 40.63 1og6 s PHE 160 CO 0.23 0.62 1.07 0.99 -0.00 0.00 0.00 175.22 178.14 1og6 s THR 161 N -1.10 3.69 0.46 0.64 2.01 -1.26 -4.75 115.64 115.32 1og6 s THR 161 Ca 0.25 0.55 0.12 0.00 0.31 0.00 0.00 61.69 62.92 1og6 s THR 161 Cb -0.17 -3.21 0.24 0.00 0.01 0.00 0.00 72.50 69.37 1og6 s THR 161 CO 0.15 -0.72 2.07 -0.65 -0.69 0.00 0.00 174.62 174.78 1og6 h PRO 162 N -0.90 0.22 -0.13 4.92 0.11 -1.92 0.52 132.00 134.81 1og6 h PRO 162 Ca -0.44 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 1og6 h PRO 162 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1og6 h PRO 162 CO 0.55 0.20 -0.45 0.00 -0.21 0.00 0.00 178.00 178.09 1og6 h ALA 163 N 1.84 0.99 0.10 -0.75 0.00 -1.99 -1.00 119.26 118.46 1og6 h ALA 163 Ca 0.06 -0.45 -0.27 0.00 0.00 0.00 0.00 54.91 54.25 1og6 h ALA 163 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1og6 h ALA 163 CO -0.00 0.63 -1.24 1.96 0.00 0.00 0.00 179.25 180.59 1og6 h GLN 164 N 0.25 0.22 -0.45 0.00 4.20 -1.74 -1.98 115.11 115.61 1og6 h GLN 164 Ca 0.02 -0.38 -0.08 0.00 0.06 0.00 0.00 58.65 58.27 1og6 h GLN 164 Cb 0.90 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 1og6 h GLN 164 CO 0.07 1.16 -0.03 0.35 -0.67 0.00 0.00 178.83 179.71 1og6 h PHE 165 N 0.06 0.90 -0.40 2.96 3.57 -0.83 -2.87 116.94 120.34 1og6 h PHE 165 Ca -0.13 -0.17 -0.14 0.00 3.53 0.00 0.00 57.97 61.06 1og6 h PHE 165 Cb 1.94 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 1og6 h PHE 165 CO 0.05 0.88 -0.31 0.00 -2.23 0.00 0.00 178.31 176.71 1og6 h ALA 166 N 0.90 0.57 -0.13 2.41 0.00 -1.23 -2.27 119.26 119.52 1og6 h ALA 166 Ca 0.12 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1og6 h ALA 166 Cb 0.55 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1og6 h ALA 166 CO 0.03 0.62 -0.31 1.25 0.00 0.00 0.00 179.25 180.83 1og6 h LEU 167 N 0.72 -0.97 -1.16 0.00 5.85 -1.26 -1.93 115.31 116.56 1og6 h LEU 167 Ca 0.07 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 1og6 h LEU 167 Cb 0.89 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1og6 h LEU 167 CO 0.08 -0.35 -0.40 0.25 -0.34 0.00 0.00 178.44 177.67 1og6 h LEU 168 N -0.39 0.04 -1.40 2.25 5.85 -1.53 -2.93 115.31 117.20 1og6 h LEU 168 Ca 0.10 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1og6 h LEU 168 Cb 0.54 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1og6 h LEU 168 CO -0.35 0.44 -0.26 -0.61 -0.34 0.00 0.00 178.44 177.32 1og6 h GLN 169 N 0.03 0.00 0.00 1.25 5.75 -0.78 -2.32 115.11 119.04 1og6 h GLN 169 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1og6 h GLN 169 Cb 0.73 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1og6 h GLN 169 CO 0.05 0.26 0.00 0.66 -2.65 0.00 0.00 178.83 177.15 1og6 h SER 170 N 0.00 0.00 -0.07 -0.69 4.64 -1.17 -2.68 113.55 113.58 1og6 h SER 170 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1og6 h SER 170 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1og6 h SER 170 CO 0.03 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 1og6 n ARG 171 N -2.61 2.26 -4.88 4.77 3.00 -0.88 -4.97 116.66 113.37 1og6 n ARG 171 Ca 0.02 -1.85 -0.31 0.00 -0.01 0.00 0.00 57.85 55.70 1og6 n ARG 171 Cb 0.29 -1.47 -0.14 0.00 0.00 0.00 0.00 32.46 31.15 1og6 n ARG 171 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1og6 s LEU 172 N -1.93 2.40 0.07 0.55 1.43 -1.01 -4.83 118.68 115.36 1og6 s LEU 172 Ca 0.31 -0.45 0.27 0.00 -1.03 0.00 0.00 54.13 53.23 1og6 s LEU 172 Cb 0.20 -1.43 0.86 0.00 0.03 0.00 0.00 46.19 45.85 1og6 s LEU 172 CO 0.31 0.28 1.70 -0.81 0.23 0.00 0.00 176.35 178.06 1og6 n PRO 173 N 1.88 0.11 -4.37 1.29 -0.04 -1.26 -4.86 135.00 127.75 1og6 n PRO 173 Ca -0.16 0.07 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 1og6 n PRO 173 Cb 0.52 -1.61 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 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 -3.05 2.07 -0.03 0.54 -0.12 -1.26 -5.11 117.98 111.02 1og6 s PHE 174 Ca 0.11 -0.40 -0.30 0.00 -0.05 0.00 0.00 56.93 56.30 1og6 s PHE 174 Cb 0.16 -1.14 -0.05 0.00 -0.63 0.00 0.00 43.02 41.37 1og6 s PHE 174 CO 0.61 0.27 1.36 0.99 -0.05 0.00 0.00 175.22 178.40 1og6 s THR 175 N -1.08 3.87 -0.24 -4.49 2.01 -1.26 -4.93 115.64 109.52 1og6 s THR 175 Ca 0.10 1.21 -0.36 0.00 0.31 0.00 0.00 61.69 62.95 1og6 s THR 175 Cb -0.10 -3.78 -0.13 0.00 0.01 0.00 0.00 72.50 68.50 1og6 s THR 175 CO 0.05 -0.02 1.94 0.18 -0.69 0.00 0.00 174.62 176.08 1og6 n LEU 176 N 5.56 2.69 0.18 4.42 4.77 -1.26 -4.77 117.00 128.58 1og6 n LEU 176 Ca 0.13 0.82 0.14 0.00 -0.03 0.00 0.00 56.01 57.07 1og6 n LEU 176 Cb 0.44 -1.26 0.72 0.00 -2.33 0.00 0.00 43.42 40.99 1og6 n LEU 176 CO 0.58 -0.40 1.13 0.00 -1.33 0.00 0.00 177.39 177.36 1og6 h ALA 177 N 9.68 2.05 -2.32 -1.18 0.00 -1.34 -3.47 119.26 122.69 1og6 h ALA 177 Ca -0.41 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.66 1og6 h ALA 177 Cb 1.30 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1og6 h ALA 177 CO 0.98 -0.25 0.54 -2.37 0.00 0.00 0.00 179.25 178.15 1og6 n THR 178 N -4.26 0.00 -3.07 0.00 5.66 -1.26 -4.04 114.28 107.31 1og6 n THR 178 Ca 0.02 -0.41 -0.14 0.00 -3.05 0.00 0.00 64.05 60.47 1og6 n THR 178 Cb 0.29 0.62 -0.04 0.00 -1.55 0.00 0.00 70.33 69.64 1og6 n THR 178 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1og6 s ASN 179 N -3.10 -0.15 -0.40 1.09 2.47 -1.25 -2.36 114.94 111.24 1og6 s ASN 179 Ca 0.20 -2.21 -0.29 0.00 0.42 0.00 0.00 52.86 50.98 1og6 s ASN 179 Cb -0.02 0.90 -0.08 0.00 -1.45 0.00 0.00 41.25 40.59 1og6 s ASN 179 CO 0.04 -0.12 2.33 1.67 -3.72 0.00 0.00 177.10 177.30 1og6 n GLN 180 N 3.05 1.30 -4.53 0.43 7.27 -0.98 -4.31 117.38 119.62 1og6 n GLN 180 Ca 0.22 0.24 -0.25 0.00 0.07 0.00 0.00 57.00 57.28 1og6 n GLN 180 Cb 0.52 -3.05 -0.11 0.00 2.41 0.00 0.00 30.24 30.02 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 9.68 1.86 -0.17 1.69 -7.23 -0.63 -2.21 120.40 123.39 1og6 s VAL 181 Ca 1.04 -2.09 -0.19 0.00 -1.81 0.00 0.00 61.98 58.93 1og6 s VAL 181 Cb -0.44 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 1og6 s VAL 181 CO 0.35 -0.13 0.55 -0.70 -0.31 0.00 0.00 175.10 174.87 1og6 s GLU 182 N -3.71 4.25 -0.04 4.82 2.12 -1.26 -0.96 118.70 123.92 1og6 s GLU 182 Ca 0.33 0.52 -0.02 0.00 0.36 0.00 0.00 54.97 56.16 1og6 s GLU 182 Cb 0.06 -3.52 0.03 0.00 0.26 0.00 0.00 34.13 30.96 1og6 s GLU 182 CO 0.16 -0.08 0.04 0.42 -0.54 0.00 0.00 175.26 175.26 1og6 s ILE 183 N 1.38 0.01 0.02 -3.70 1.01 -1.20 -4.81 121.20 113.91 1og6 s ILE 183 Ca 0.27 0.33 -0.27 0.00 0.00 0.00 0.00 60.65 60.97 1og6 s ILE 183 Cb -0.16 -0.23 0.09 0.00 0.01 0.00 0.00 42.46 42.18 1og6 s ILE 183 CO 0.11 0.19 0.79 -0.94 0.00 0.00 0.00 174.94 175.08 1og6 s SER 184 N 1.96 -0.46 0.58 3.58 1.04 -1.11 -4.20 113.70 115.09 1og6 s SER 184 Ca 0.03 0.13 0.29 0.00 0.48 0.00 0.00 55.95 56.88 1og6 s SER 184 Cb -0.12 0.46 1.44 0.00 0.10 0.00 0.00 66.02 67.89 1og6 s SER 184 CO -0.03 -0.69 1.84 -0.65 0.98 0.00 0.00 173.24 174.69 1og6 h PRO 185 N 2.18 0.00 0.00 4.02 0.11 -1.94 0.23 132.00 136.61 1og6 h PRO 185 Ca -0.26 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 1og6 h PRO 185 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1og6 h PRO 185 CO 0.34 0.00 -0.70 -0.39 -0.21 0.00 0.00 178.00 177.04 1og6 h VAL 186 N 0.00 0.23 -3.11 3.15 -1.51 -1.90 -3.42 116.25 109.69 1og6 h VAL 186 Ca 0.28 -1.38 -0.61 0.00 -1.23 0.00 0.00 66.70 63.77 1og6 h VAL 186 Cb 1.45 1.89 -0.40 0.00 -2.13 0.00 0.00 31.29 32.10 1og6 h VAL 186 CO -0.00 0.13 -0.73 -2.28 -1.23 0.00 0.00 177.57 173.46 1og6 s HIS 187 N -3.18 2.17 -0.23 5.19 5.65 0.82 -4.98 115.29 120.73 1og6 s HIS 187 Ca 0.02 -2.41 0.13 0.00 0.25 0.00 0.00 55.06 53.05 1og6 s HIS 187 Cb 0.08 -2.02 0.46 0.00 -1.18 0.00 0.00 32.58 29.91 1og6 s HIS 187 CO 0.75 -0.81 1.35 1.04 -0.65 0.00 0.00 174.74 176.42 1og6 n GLN 188 N 3.81 1.90 -0.08 2.88 6.02 -1.24 -2.75 117.38 127.91 1og6 n GLN 188 Ca 0.06 -3.05 -0.14 0.00 -0.01 0.00 0.00 57.00 53.86 1og6 n GLN 188 Cb 0.36 -1.73 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 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 0.99 0.88 -0.01 -1.09 0.13 -1.93 -3.01 132.00 127.96 1og6 h PRO 189 Ca 0.10 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1og6 h PRO 189 Cb 1.37 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.56 1og6 h PRO 189 CO 0.21 1.18 0.19 -0.07 -0.23 0.00 0.00 178.00 179.28 1og6 h LEU 190 N 0.68 0.00 -1.17 1.56 3.38 -1.87 -0.77 115.31 117.12 1og6 h LEU 190 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1og6 h LEU 190 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1og6 h LEU 190 CO 0.12 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.58 1og6 h LEU 191 N 0.00 0.00 -0.48 1.67 4.07 -1.89 -3.03 115.31 115.65 1og6 h LEU 191 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1og6 h LEU 191 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1og6 h LEU 191 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 1og6 n LEU 192 N -2.53 0.08 -0.48 1.67 -0.00 -0.32 -4.75 117.00 110.66 1og6 n LEU 192 Ca 0.01 -0.08 0.14 0.00 -0.00 0.00 0.00 56.01 56.08 1og6 n LEU 192 Cb 0.21 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 44.15 1og6 n LEU 192 CO 0.20 0.02 0.86 -0.90 -0.00 0.00 0.00 177.39 177.58 1og6 n ASP 193 N -0.01 1.51 0.00 1.45 3.85 -1.03 -4.91 116.55 117.41 1og6 n ASP 193 Ca 0.00 -1.52 0.00 0.00 -0.71 0.00 0.00 54.79 52.56 1og6 n ASP 193 Cb 0.34 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 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 1.17 0.14 0.24 6.12 0.00 -1.26 -4.95 105.19 106.65 1og6 n GLY 194 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 0.61 0.00 2.61 2.02 -1.91 -1.20 112.91 115.03 1og6 h THR 195 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1og6 h THR 195 Cb 0.00 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1og6 h THR 195 CO 0.00 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.10 1og6 n LEU 196 N -5.29 0.75 0.14 2.58 4.77 -1.15 -2.02 117.00 116.78 1og6 n LEU 196 Ca -0.11 0.65 -0.23 0.00 -0.03 0.00 0.00 56.01 56.30 1og6 n LEU 196 Cb 0.25 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 1og6 n LEU 196 CO 0.35 -0.47 -0.19 0.44 -1.33 0.00 0.00 177.39 176.19 1og6 h ASP 197 N 0.00 0.75 -0.41 -1.43 3.32 -1.76 -2.27 116.42 114.62 1og6 h ASP 197 Ca 0.00 -0.80 -0.11 0.00 0.02 0.00 0.00 57.03 56.14 1og6 h ASP 197 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1og6 h ASP 197 CO 0.00 1.62 -0.19 -0.61 -1.72 0.00 0.00 179.24 178.35 1og6 h GLN 198 N 0.13 0.85 -0.43 3.56 4.15 -1.08 -1.19 115.11 121.11 1og6 h GLN 198 Ca -0.23 -0.37 -0.07 0.00 0.77 0.00 0.00 58.65 58.76 1og6 h GLN 198 Cb 2.12 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.76 1og6 h GLN 198 CO 0.26 1.00 -0.00 -0.07 -1.93 0.00 0.00 178.83 178.09 1og6 h LEU 199 N 0.67 0.66 -0.17 -2.39 3.38 -1.46 -1.16 115.31 114.84 1og6 h LEU 199 Ca 0.09 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1og6 h LEU 199 Cb 0.74 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1og6 h LEU 199 CO 0.06 0.73 -0.58 -0.61 0.09 0.00 0.00 178.44 178.14 1og6 h GLN 200 N 0.65 0.69 -0.67 1.13 4.15 -1.28 -0.20 115.11 119.57 1og6 h GLN 200 Ca 0.13 -0.52 0.08 0.00 0.77 0.00 0.00 58.65 59.11 1og6 h GLN 200 Cb 0.41 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 1og6 h GLN 200 CO 0.02 1.13 0.35 0.37 -1.93 0.00 0.00 178.83 178.77 1og6 h GLN 201 N 0.38 0.60 -0.01 1.69 4.15 -0.87 -1.19 115.11 119.86 1og6 h GLN 201 Ca -0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1og6 h GLN 201 Cb 1.20 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1og6 h GLN 201 CO 0.12 0.40 -0.06 1.28 -1.93 0.00 0.00 178.83 178.64 1og6 n LEU 202 N -4.84 0.69 -3.29 -2.39 4.77 -0.47 -4.92 117.00 106.55 1og6 n LEU 202 Ca 0.09 -0.16 -0.21 0.00 -0.03 0.00 0.00 56.01 55.70 1og6 n LEU 202 Cb 0.22 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1og6 n LEU 202 CO 0.27 0.12 0.21 0.54 -1.33 0.00 0.00 177.39 177.19 1og6 n ARG 203 N -0.61 -7.08 -4.30 3.23 1.74 -0.45 -4.73 116.66 104.47 1og6 n ARG 203 Ca 0.18 0.75 -0.34 0.00 -0.77 0.00 0.00 57.85 57.68 1og6 n ARG 203 Cb 0.26 -5.57 -0.11 0.00 -1.02 0.00 0.00 32.46 26.02 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 -3.29 4.17 -0.31 1.55 1.01 -0.13 -4.22 120.40 119.18 1og6 s VAL 204 Ca 0.46 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 1og6 s VAL 204 Cb -0.20 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1og6 s VAL 204 CO 0.66 0.50 0.48 -0.13 0.00 0.00 0.00 175.10 176.61 1og6 s ARG 205 N 0.21 3.83 -0.09 2.72 3.00 0.13 -4.47 118.95 124.28 1og6 s ARG 205 Ca -0.00 0.02 -0.28 0.00 0.00 0.00 0.00 55.73 55.46 1og6 s ARG 205 Cb -0.13 -3.73 -0.02 0.00 0.00 0.00 0.00 34.95 31.07 1og6 s ARG 205 CO 0.02 -0.48 0.95 -1.25 0.00 0.00 0.00 175.30 174.53 1og6 s PRO 206 N 2.30 4.43 -0.09 3.54 0.04 -1.26 -4.44 135.00 139.52 1og6 s PRO 206 Ca 0.19 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1og6 s PRO 206 Cb -0.16 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 1og6 s PRO 206 CO 0.11 -0.23 1.05 -1.64 0.04 0.00 0.00 177.00 176.33 1og6 s MET 207 N 1.72 4.41 -0.25 4.56 -1.94 -1.26 -2.04 119.30 124.50 1og6 s MET 207 Ca 0.47 1.46 -0.12 0.00 -1.71 0.00 0.00 55.69 55.79 1og6 s MET 207 Cb -0.18 -3.54 -0.05 0.00 2.01 0.00 0.00 34.83 33.07 1og6 s MET 207 CO 0.19 -0.34 0.22 0.00 -0.01 0.00 0.00 175.02 175.08 1og6 s ALA 208 N 2.02 3.57 0.18 3.03 0.00 -0.99 -1.61 121.76 127.96 1og6 s ALA 208 Ca 0.50 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1og6 s ALA 208 Cb -0.20 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 1og6 s ALA 208 CO 0.19 -0.39 0.24 1.67 0.00 0.00 0.00 175.76 177.47 1og6 s TRP 209 N 1.45 3.32 -1.37 0.00 1.48 -0.13 -2.16 118.94 121.53 1og6 s TRP 209 Ca 0.09 0.02 -0.02 0.00 -1.06 0.00 0.00 56.10 55.14 1og6 s TRP 209 Cb -0.15 -1.57 0.01 0.00 -1.16 0.00 0.00 33.47 30.61 1og6 s TRP 209 CO 0.08 0.51 0.64 0.43 -4.06 0.00 0.00 176.95 174.55 1og6 n SER 210 N -0.69 -1.32 0.29 -2.66 7.64 -1.26 -3.25 113.62 112.37 1og6 n SER 210 Ca -0.08 -0.88 0.16 0.00 1.01 0.00 0.00 58.87 59.08 1og6 n SER 210 Cb 0.55 -3.70 0.92 0.00 -1.01 0.00 0.00 64.21 60.97 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 LEU 212 N -3.81 6.53 -2.85 0.00 4.77 -1.26 -4.56 117.00 115.81 1og6 n LEU 212 Ca -0.03 -3.76 -0.15 0.00 -0.03 0.00 0.00 56.01 52.05 1og6 n LEU 212 Cb 0.10 -0.83 -0.01 0.00 -2.33 0.00 0.00 43.42 40.36 1og6 n LEU 212 CO 0.27 1.16 -0.08 0.61 -1.33 0.00 0.00 177.39 178.02 1og6 n GLY 213 N -1.11 -0.49 2.21 -0.72 0.00 0.71 0.12 105.19 105.92 1og6 n GLY 213 Ca 0.57 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1og6 n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1og6 n GLY 214 N -0.89 0.42 0.00 -0.02 0.00 -1.25 -2.90 105.19 100.56 1og6 n GLY 214 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1og6 n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1og6 n GLY 215 N -2.28 0.72 0.71 -0.02 0.00 0.33 -4.93 105.19 99.73 1og6 n GLY 215 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1og6 n GLY 215 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1og6 n ARG 216 N -1.68 1.22 0.01 1.61 1.85 -1.14 -3.22 116.66 115.31 1og6 n ARG 216 Ca 0.00 -0.21 -0.15 0.00 -1.00 0.00 0.00 57.85 56.50 1og6 n ARG 216 Cb 0.00 -1.44 -0.14 0.00 -1.05 0.00 0.00 32.46 29.83 1og6 n ARG 216 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1og6 h LEU 217 N 0.45 0.22 0.00 2.89 5.85 -1.81 -2.71 115.31 120.21 1og6 h LEU 217 Ca 0.01 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1og6 h LEU 217 Cb 0.73 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1og6 h LEU 217 CO 0.04 1.39 -1.04 0.49 -0.34 0.00 0.00 178.44 178.98 1og6 n PHE 218 N -3.29 0.19 -0.10 1.25 3.01 -1.20 -4.55 117.46 112.77 1og6 n PHE 218 Ca -0.21 0.05 -0.21 0.00 1.01 0.00 0.00 57.45 58.08 1og6 n PHE 218 Cb 1.05 -0.36 -0.08 0.00 -0.01 0.00 0.00 39.48 40.08 1og6 n PHE 218 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1og6 n ASN 219 N -1.87 1.60 -4.66 4.37 3.02 -1.25 -4.97 115.26 111.50 1og6 n ASN 219 Ca 0.02 0.21 -0.49 0.00 -0.03 0.00 0.00 54.58 54.29 1og6 n ASN 219 Cb 0.42 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.96 1og6 n ASN 219 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1og6 n ASP 220 N -3.83 2.88 -0.16 6.41 -0.08 -1.02 -4.84 116.55 115.91 1og6 n ASP 220 Ca -0.41 1.06 0.03 0.00 -1.51 0.00 0.00 54.79 53.96 1og6 n ASP 220 Cb 0.80 -1.34 0.15 0.00 2.34 0.00 0.00 41.12 43.07 1og6 n ASP 220 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1og6 n ASP 221 N 4.40 0.47 -1.31 1.67 5.75 -1.26 -3.34 116.55 122.94 1og6 n ASP 221 Ca 0.20 -1.88 0.10 0.00 -0.01 0.00 0.00 54.79 53.20 1og6 n ASP 221 Cb 0.26 -0.05 0.31 0.00 -1.03 0.00 0.00 41.12 40.60 1og6 n ASP 221 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1og6 n TYR 222 N -0.30 1.06 -1.38 2.11 4.02 -1.26 -4.33 117.16 117.09 1og6 n TYR 222 Ca 0.06 -0.55 0.08 0.00 -0.01 0.00 0.00 57.90 57.47 1og6 n TYR 222 Cb 0.09 -0.09 0.14 0.00 -0.02 0.00 0.00 39.34 39.46 1og6 n TYR 222 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1og6 n PHE 223 N 1.24 0.00 -0.14 -0.72 0.99 -1.21 -4.78 117.46 112.83 1og6 n PHE 223 Ca 0.23 -1.01 -0.04 0.00 -0.00 0.00 0.00 57.45 56.63 1og6 n PHE 223 Cb 0.69 -0.17 0.15 0.00 -1.00 0.00 0.00 39.48 39.16 1og6 n PHE 223 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1og6 h GLN 224 N 0.32 0.86 -0.40 -1.08 1.08 -1.82 -0.86 115.11 113.22 1og6 h GLN 224 Ca -0.01 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 1og6 h GLN 224 Cb 1.08 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 1og6 h GLN 224 CO 0.00 0.81 0.12 -1.35 -0.95 0.00 0.00 178.83 177.47 1og6 h PRO 225 N 0.82 0.58 -0.00 1.46 0.11 -1.86 0.53 132.00 133.64 1og6 h PRO 225 Ca 0.17 -0.09 -0.19 0.00 0.11 0.00 0.00 66.00 66.00 1og6 h PRO 225 Cb 0.38 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1og6 h PRO 225 CO 0.01 0.52 -0.84 1.25 -0.21 0.00 0.00 178.00 178.73 1og6 h LEU 226 N 0.58 0.19 0.00 2.35 5.85 -1.49 -2.15 115.31 120.64 1og6 h LEU 226 Ca 0.14 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1og6 h LEU 226 Cb 0.19 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1og6 h LEU 226 CO -0.01 0.94 -0.51 0.03 -0.34 0.00 0.00 178.44 178.55 1og6 h ARG 227 N 0.08 0.00 -0.02 1.25 3.08 -0.72 -1.89 114.38 116.16 1og6 h ARG 227 Ca -0.03 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 1og6 h ARG 227 Cb 1.45 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.51 1og6 h ARG 227 CO 0.12 0.33 -0.61 -0.44 -1.07 0.00 0.00 179.97 178.30 1og6 h ASP 228 N 0.00 0.57 -0.27 7.04 3.45 -0.88 -2.00 116.42 124.34 1og6 h ASP 228 Ca -0.02 -0.73 -0.03 0.00 0.43 0.00 0.00 57.03 56.68 1og6 h ASP 228 Cb 1.29 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 1og6 h ASP 228 CO 0.04 1.23 0.06 -0.08 -1.57 0.00 0.00 179.24 178.92 1og6 h GLU 229 N -0.03 0.44 -0.71 3.56 4.57 -1.43 -1.98 114.58 119.01 1og6 h GLU 229 Ca -0.07 -0.11 0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1og6 h GLU 229 Cb 1.30 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.78 1og6 h GLU 229 CO 0.12 0.55 0.41 -0.07 -1.18 0.00 0.00 179.01 178.84 1og6 h LEU 230 N 0.27 0.62 -0.83 1.64 3.38 -1.39 -0.80 115.31 118.19 1og6 h LEU 230 Ca 0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1og6 h LEU 230 Cb 0.31 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1og6 h LEU 230 CO 0.00 0.40 0.53 0.00 0.09 0.00 0.00 178.44 179.46 1og6 h ALA 231 N 1.36 1.06 0.87 1.53 0.00 -1.07 0.24 119.26 123.24 1og6 h ALA 231 Ca 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1og6 h ALA 231 Cb 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1og6 h ALA 231 CO -0.18 0.49 -0.44 0.28 0.00 0.00 0.00 179.25 179.40 1og6 h VAL 232 N 1.13 0.00 -0.93 0.00 2.07 -0.55 -2.55 116.25 115.42 1og6 h VAL 232 Ca 0.30 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.98 1og6 h VAL 232 Cb -0.09 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.60 1og6 h VAL 232 CO -0.06 0.00 0.59 0.58 0.02 0.00 0.00 177.57 178.70 1og6 h VAL 233 N -1.19 0.80 -0.94 2.57 2.07 -1.02 0.38 116.25 118.92 1og6 h VAL 233 Ca -0.12 -0.24 0.17 0.00 0.82 0.00 0.00 66.70 67.32 1og6 h VAL 233 Cb 0.92 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 1og6 h VAL 233 CO 0.18 0.13 0.60 0.00 0.02 0.00 0.00 177.57 178.50 1og6 h ALA 234 N 1.60 1.84 -0.05 1.67 0.00 -0.12 0.27 119.26 124.46 1og6 h ALA 234 Ca 0.48 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.24 1og6 h ALA 234 Cb 0.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1og6 h ALA 234 CO -0.24 -0.13 -0.76 1.49 0.00 0.00 0.00 179.25 179.61 1og6 h GLU 235 N 0.68 0.32 -0.03 0.00 4.81 -0.58 0.22 114.58 120.01 1og6 h GLU 235 Ca 0.50 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1og6 h GLU 235 Cb 0.86 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1og6 h GLU 235 CO -0.26 0.93 -0.56 0.93 -0.73 0.00 0.00 179.01 179.33 1og6 h GLU 236 N 0.21 0.08 0.00 1.92 5.08 -0.29 -2.99 114.58 118.60 1og6 h GLU 236 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1og6 h GLU 236 Cb 1.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1og6 h GLU 236 CO 0.12 0.62 -0.97 1.28 -1.00 0.00 0.00 179.01 179.07 1og6 n LEU 237 N -3.89 0.68 -1.47 1.33 4.77 0.33 -4.96 117.00 113.79 1og6 n LEU 237 Ca -0.02 -0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 1og6 n LEU 237 Cb 0.57 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1og6 n LEU 237 CO 0.42 0.12 -0.10 0.59 -1.33 0.00 0.00 177.39 177.10 1og6 n ASN 238 N -1.74 -3.84 -4.81 -1.43 5.03 0.09 -4.91 115.26 103.66 1og6 n ASN 238 Ca 0.03 -0.06 -0.30 0.00 0.87 0.00 0.00 54.58 55.12 1og6 n ASN 238 Cb 0.39 -2.95 0.09 0.00 -1.02 0.00 0.00 39.78 36.29 1og6 n ASN 238 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1og6 s ALA 239 N -2.68 2.28 -0.07 5.41 0.00 0.56 -5.00 121.76 122.26 1og6 s ALA 239 Ca 0.06 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.85 1og6 s ALA 239 Cb -0.02 -3.10 -0.24 0.00 0.00 0.00 0.00 23.12 19.76 1og6 s ALA 239 CO 0.07 -1.70 0.54 0.41 0.00 0.00 0.00 175.76 175.08 1og6 n GLY 240 N -2.17 -0.85 3.12 0.00 0.00 -1.26 -4.78 105.19 99.24 1og6 n GLY 240 Ca 0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1og6 n GLY 240 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1og6 s SER 241 N -6.37 0.11 0.52 1.61 1.04 -1.26 -5.01 113.70 104.34 1og6 s SER 241 Ca -0.11 -0.40 0.18 0.00 0.48 0.00 0.00 55.95 56.11 1og6 s SER 241 Cb 0.07 0.23 1.31 0.00 0.10 0.00 0.00 66.02 67.73 1og6 s SER 241 CO 0.81 -0.46 2.12 0.16 0.98 0.00 0.00 173.24 176.84 1og6 h ILE 242 N 3.86 0.93 -0.83 -1.02 3.07 -1.93 0.22 117.51 121.81 1og6 h ILE 242 Ca -0.32 0.00 0.07 0.00 1.55 0.00 0.00 64.86 66.16 1og6 h ILE 242 Cb 1.19 0.95 -0.05 0.00 -0.27 0.00 0.00 36.82 38.63 1og6 h ILE 242 CO 0.46 0.00 0.54 -0.33 -1.05 0.00 0.00 178.15 177.78 1og6 h GLU 243 N 0.00 0.87 -0.12 0.16 5.08 -1.97 0.12 114.58 118.73 1og6 h GLU 243 Ca 0.05 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1og6 h GLU 243 Cb 0.21 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1og6 h GLU 243 CO -0.00 0.58 -0.54 1.96 -1.00 0.00 0.00 179.01 180.01 1og6 h GLN 244 N 0.90 0.33 -0.33 2.33 4.20 -1.33 0.83 115.11 122.05 1og6 h GLN 244 Ca 0.36 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1og6 h GLN 244 Cb 0.26 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1og6 h GLN 244 CO -0.13 0.79 -0.19 0.28 -0.67 0.00 0.00 178.83 178.90 1og6 h VAL 245 N 0.26 1.26 0.09 -0.54 2.07 -0.84 -2.21 116.25 116.34 1og6 h VAL 245 Ca 0.01 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1og6 h VAL 245 Cb 1.03 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1og6 h VAL 245 CO 0.09 0.40 -0.04 0.58 0.02 0.00 0.00 177.57 178.61 1og6 h VAL 246 N 0.54 1.15 0.00 2.57 2.07 -0.76 0.36 116.25 122.18 1og6 h VAL 246 Ca 0.09 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1og6 h VAL 246 Cb 0.63 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1og6 h VAL 246 CO 0.04 0.29 0.05 0.59 0.02 0.00 0.00 177.57 178.56 1og6 n ASN 247 N -4.87 0.00 -0.10 0.57 5.03 0.25 -1.01 115.26 115.13 1og6 n ASN 247 Ca -0.08 0.33 -0.14 0.00 0.87 0.00 0.00 54.58 55.56 1og6 n ASN 247 Cb 0.28 -0.33 -0.10 0.00 -1.02 0.00 0.00 39.78 38.61 1og6 n ASN 247 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1og6 n ALA 248 N -1.32 1.55 -0.34 5.41 0.00 -0.84 -2.84 120.51 122.14 1og6 n ALA 248 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 53.44 52.61 1og6 n ALA 248 Cb 0.05 0.02 0.22 0.00 0.00 0.00 0.00 19.45 19.73 1og6 n ALA 248 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1og6 h TRP 249 N 0.00 1.02 -0.03 0.00 7.01 0.83 -0.42 115.95 124.36 1og6 h TRP 249 Ca -0.46 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.52 1og6 h TRP 249 Cb 1.72 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 28.47 1og6 h TRP 249 CO 0.02 0.39 -0.18 0.28 -2.79 0.00 0.00 178.44 176.16 1og6 h VAL 250 N 0.89 1.48 -0.57 2.65 2.07 -1.36 -3.28 116.25 118.15 1og6 h VAL 250 Ca 0.47 -1.69 0.16 0.00 0.82 0.00 0.00 66.70 66.46 1og6 h VAL 250 Cb 0.48 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1og6 h VAL 250 CO -0.27 0.47 0.45 0.25 0.02 0.00 0.00 177.57 178.48 1og6 h LEU 251 N -0.40 0.00 -2.42 2.57 5.85 -1.11 -2.66 115.31 117.14 1og6 h LEU 251 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1og6 h LEU 251 Cb 0.86 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1og6 h LEU 251 CO 0.04 0.00 0.00 -2.11 -0.34 0.00 0.00 178.44 176.03 1og6 n ARG 252 N -4.15 2.95 -2.38 1.25 1.85 -0.27 -4.63 116.66 111.27 1og6 n ARG 252 Ca 0.11 -2.19 -0.37 0.00 -1.00 0.00 0.00 57.85 54.40 1og6 n ARG 252 Cb 0.68 -1.68 -0.02 0.00 -1.05 0.00 0.00 32.46 30.38 1og6 n ARG 252 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1og6 s LEU 253 N -1.41 4.12 0.65 2.89 1.43 -1.00 -4.92 118.68 120.43 1og6 s LEU 253 Ca 0.40 2.21 0.43 0.00 -1.03 0.00 0.00 54.13 56.13 1og6 s LEU 253 Cb 0.24 -4.15 2.32 0.00 0.03 0.00 0.00 46.19 44.63 1og6 s LEU 253 CO 0.21 -0.67 2.34 1.55 0.23 0.00 0.00 176.35 180.01 1og6 h PRO 254 N 2.41 0.00 0.00 1.29 0.13 -1.92 -0.84 132.00 133.07 1og6 h PRO 254 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1og6 h PRO 254 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1og6 h PRO 254 CO 0.62 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.26 1og6 n SER 255 N -3.16 0.00 -3.17 1.44 3.41 -1.26 -4.94 113.62 105.93 1og6 n SER 255 Ca -0.03 0.46 -0.04 0.00 -0.26 0.00 0.00 58.87 59.00 1og6 n SER 255 Cb 0.08 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.49 -1.39 -1.95 4.33 6.02 -0.32 -4.51 117.38 118.08 1og6 n GLN 256 Ca 0.07 1.40 -0.33 0.00 -0.01 0.00 0.00 57.00 58.13 1og6 n GLN 256 Cb 0.30 -5.19 0.03 0.00 1.02 0.00 0.00 30.24 26.39 1og6 n GLN 256 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1og6 s PRO 257 N -3.29 3.09 -0.58 -1.09 0.04 -1.26 -4.49 135.00 127.42 1og6 s PRO 257 Ca 0.01 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 1og6 s PRO 257 Cb -0.00 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.70 1og6 s PRO 257 CO 0.77 -1.01 0.47 -0.51 0.04 0.00 0.00 177.00 176.76 1og6 s LEU 258 N -4.56 5.88 0.21 -3.56 1.43 -0.86 -4.81 118.68 112.40 1og6 s LEU 258 Ca 0.66 -2.25 -0.32 0.00 -1.03 0.00 0.00 54.13 51.20 1og6 s LEU 258 Cb -0.19 -2.04 -0.12 0.00 0.03 0.00 0.00 46.19 43.86 1og6 s LEU 258 CO 0.37 -0.62 1.67 -0.81 0.23 0.00 0.00 176.35 177.19 1og6 n PRO 259 N 4.47 2.61 -3.48 1.29 -0.04 -1.20 -2.35 135.00 136.30 1og6 n PRO 259 Ca -0.01 0.94 -0.39 0.00 -0.04 0.00 0.00 63.50 64.01 1og6 n PRO 259 Cb 0.41 -2.76 -0.10 0.00 -0.04 0.00 0.00 33.50 31.02 1og6 n PRO 259 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1og6 s ILE 260 N 0.96 5.23 0.03 0.52 1.01 -0.92 -1.78 121.20 126.25 1og6 s ILE 260 Ca 0.75 0.40 -0.27 0.00 0.00 0.00 0.00 60.65 61.53 1og6 s ILE 260 Cb -0.55 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1og6 s ILE 260 CO 0.36 0.20 0.84 -0.63 0.00 0.00 0.00 174.94 175.71 1og6 s ILE 261 N 1.90 4.77 -0.73 2.92 1.01 -0.03 -4.63 121.20 126.41 1og6 s ILE 261 Ca 0.12 1.78 0.06 0.00 0.00 0.00 0.00 60.65 62.61 1og6 s ILE 261 Cb -0.16 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.16 1og6 s ILE 261 CO 0.10 0.29 0.63 0.61 0.00 0.00 0.00 174.94 176.57 1og6 n GLY 262 N 2.60 -0.60 3.77 6.18 0.00 -1.26 -0.35 105.19 115.53 1og6 n GLY 262 Ca 0.01 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.71 6.40 0.00 1.61 0.15 -1.26 -4.79 113.70 115.10 1og6 s SER 263 Ca 0.07 2.31 0.23 0.00 0.70 0.00 0.00 55.95 59.26 1og6 s SER 263 Cb 0.05 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 62.20 1og6 s SER 263 CO 0.11 -0.76 1.41 0.61 1.20 0.00 0.00 173.24 175.81 1og6 n GLY 264 N 0.53 1.38 3.46 9.45 0.00 -1.26 -4.84 105.19 113.92 1og6 n GLY 264 Ca 0.05 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.63 3.50 0.57 1.61 1.02 -1.26 -4.98 119.74 118.57 1og6 s LYS 265 Ca 0.36 -0.61 0.26 0.00 0.02 0.00 0.00 55.97 56.01 1og6 s LYS 265 Cb 0.22 -3.52 1.58 0.00 -0.52 0.00 0.00 37.83 35.58 1og6 s LYS 265 CO 0.31 -0.33 2.11 0.97 -0.92 0.00 0.00 175.35 177.49 1og6 h ILE 266 N 5.59 0.59 -0.02 2.17 6.09 -1.98 -1.08 117.51 128.88 1og6 h ILE 266 Ca -0.34 0.00 -0.17 0.00 -1.37 0.00 0.00 64.86 62.98 1og6 h ILE 266 Cb 1.16 0.86 -0.01 0.00 0.47 0.00 0.00 36.82 39.30 1og6 h ILE 266 CO 0.60 0.00 -0.74 1.05 -3.07 0.00 0.00 178.15 175.98 1og6 h GLU 267 N 0.00 0.15 0.00 2.19 9.09 -1.99 -0.07 114.58 123.95 1og6 h GLU 267 Ca 0.09 -0.13 -0.09 0.00 0.05 0.00 0.00 59.36 59.27 1og6 h GLU 267 Cb 0.44 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1og6 h GLU 267 CO -0.00 0.82 -0.44 0.00 0.05 0.00 0.00 179.01 179.44 1og6 h ARG 268 N 0.10 0.00 0.00 1.06 3.08 -1.64 -2.37 114.38 114.60 1og6 h ARG 268 Ca -0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1og6 h ARG 268 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 1og6 h ARG 268 CO 0.11 0.44 -0.65 0.28 -1.07 0.00 0.00 179.97 179.08 1og6 h VAL 269 N 0.00 1.14 0.12 2.04 2.07 -1.06 -2.97 116.25 117.59 1og6 h VAL 269 Ca -0.00 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 64.95 1og6 h VAL 269 Cb 1.13 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1og6 h VAL 269 CO 0.06 0.64 -0.06 0.03 0.02 0.00 0.00 177.57 178.26 1og6 h ARG 270 N 0.00 -0.16 -0.16 1.57 3.08 -0.55 -3.25 114.38 114.92 1og6 h ARG 270 Ca -0.01 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1og6 h ARG 270 Cb 1.48 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.50 1og6 h ARG 270 CO 0.09 0.20 -0.26 0.00 -1.07 0.00 0.00 179.97 178.93 1og6 h ALA 271 N 0.26 -0.24 -1.49 0.04 0.00 -1.49 -3.18 119.26 113.16 1og6 h ALA 271 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1og6 h ALA 271 Cb 0.43 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1og6 h ALA 271 CO 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 178.56 1og6 n ALA 272 N -2.77 0.00 -0.35 0.00 0.00 -1.12 -0.38 120.51 115.88 1og6 n ALA 272 Ca -0.02 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.75 1og6 n ALA 272 Cb 0.30 0.31 0.51 0.00 0.00 0.00 0.00 19.45 20.57 1og6 n ALA 272 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1og6 n VAL 273 N -1.77 0.00 0.15 0.00 0.24 -1.20 0.95 118.33 116.70 1og6 n VAL 273 Ca 0.00 1.18 0.01 0.00 -2.04 0.00 0.00 64.34 63.49 1og6 n VAL 273 Cb 0.00 -2.06 0.31 0.00 -1.47 0.00 0.00 33.84 30.61 1og6 n VAL 273 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1og6 h GLU 274 N 0.00 0.10 -0.14 7.34 3.07 -0.77 -2.61 114.58 121.57 1og6 h GLU 274 Ca 0.58 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.44 1og6 h GLU 274 Cb 2.87 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.77 1og6 h GLU 274 CO -0.01 0.47 0.33 0.00 -1.40 0.00 0.00 179.01 178.40 1og6 h ALA 275 N 1.53 1.60 0.00 3.43 0.00 0.56 0.26 119.26 126.64 1og6 h ALA 275 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1og6 h ALA 275 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1og6 h ALA 275 CO 0.05 -0.40 -0.23 1.49 0.00 0.00 0.00 179.25 180.16 1og6 h GLU 276 N 0.00 0.00 0.00 0.00 4.81 -1.63 -2.47 114.58 115.29 1og6 h GLU 276 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1og6 h GLU 276 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1og6 h GLU 276 CO -0.00 0.23 -0.26 1.79 -0.73 0.00 0.00 179.01 180.04 1og6 h THR 277 N 0.00 0.00 -3.99 0.32 1.35 -0.68 -3.46 112.91 106.44 1og6 h THR 277 Ca -0.00 -0.59 -0.49 0.00 -0.55 0.00 0.00 66.41 64.78 1og6 h THR 277 Cb 0.45 1.43 0.04 0.00 -1.73 0.00 0.00 68.15 68.33 1og6 h THR 277 CO 0.03 0.00 0.43 -0.76 -0.25 0.00 0.00 175.52 174.97 1og6 s LEU 278 N -4.72 4.05 -0.32 3.87 1.43 -0.93 -5.02 118.68 117.04 1og6 s LEU 278 Ca 0.08 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.33 1og6 s LEU 278 Cb 0.11 -4.26 0.09 0.00 0.03 0.00 0.00 46.19 42.17 1og6 s LEU 278 CO 0.66 -0.68 0.03 -0.54 0.23 0.00 0.00 176.35 176.04 1og6 s LYS 279 N -2.67 1.48 -0.07 1.70 1.02 -1.26 -5.05 119.74 114.89 1og6 s LYS 279 Ca 0.61 -1.61 -0.18 0.00 0.02 0.00 0.00 55.97 54.81 1og6 s LYS 279 Cb -0.24 -2.93 -0.05 0.00 -0.52 0.00 0.00 37.83 34.09 1og6 s LYS 279 CO 0.29 -0.87 0.50 1.41 -0.92 0.00 0.00 175.35 175.76 1og6 s MET 280 N 1.08 4.28 0.73 1.68 -2.45 -1.26 -4.99 119.30 118.36 1og6 s MET 280 Ca 0.07 0.52 -0.11 0.00 -1.25 0.00 0.00 55.69 54.91 1og6 s MET 280 Cb -0.19 -3.38 0.03 0.00 1.25 0.00 0.00 34.83 32.54 1og6 s MET 280 CO -0.10 0.28 1.10 0.95 1.05 0.00 0.00 175.02 178.31 1og6 s THR 281 N 0.19 3.31 0.13 10.11 -4.23 -1.26 -4.91 115.64 118.98 1og6 s THR 281 Ca 0.27 0.42 -0.14 0.00 -1.18 0.00 0.00 61.69 61.06 1og6 s THR 281 Cb -0.16 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.30 1og6 s THR 281 CO 0.13 -0.55 1.62 0.03 -0.54 0.00 0.00 174.62 175.30 1og6 h ARG 282 N -0.75 0.72 0.00 3.99 3.08 -1.99 -0.87 114.38 118.55 1og6 h ARG 282 Ca -0.45 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1og6 h ARG 282 Cb 1.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1og6 h ARG 282 CO 0.63 0.75 0.00 0.94 -1.07 0.00 0.00 179.97 181.22 1og6 n GLN 283 N -4.49 0.16 -0.00 0.04 7.27 -1.26 -1.01 117.38 118.10 1og6 n GLN 283 Ca 0.00 0.40 -0.11 0.00 0.07 0.00 0.00 57.00 57.37 1og6 n GLN 283 Cb 0.24 -1.81 -0.14 0.00 2.41 0.00 0.00 30.24 30.94 1og6 n GLN 283 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1og6 h GLN 284 N 0.00 0.06 -0.08 3.69 4.15 -1.83 -2.84 115.11 118.25 1og6 h GLN 284 Ca 0.00 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 1og6 h GLN 284 Cb 0.34 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1og6 h GLN 284 CO 0.00 0.70 -0.07 2.35 -1.93 0.00 0.00 178.83 179.88 1og6 h TRP 285 N 0.02 0.23 0.00 3.99 7.01 0.31 -2.57 115.95 124.94 1og6 h TRP 285 Ca -0.26 -0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.62 1og6 h TRP 285 Cb 1.99 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.99 1og6 h TRP 285 CO 0.02 0.60 -0.23 0.74 -2.79 0.00 0.00 178.44 176.77 1og6 h PHE 286 N -0.21 0.00 -0.11 2.65 -1.00 -1.20 -1.98 116.94 115.09 1og6 h PHE 286 Ca 0.02 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.64 1og6 h PHE 286 Cb 0.56 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 1og6 h PHE 286 CO 0.08 0.23 -0.59 -0.09 -1.61 0.00 0.00 178.31 176.34 1og6 h ARG 287 N 0.00 0.37 0.00 1.51 2.43 -1.43 -1.20 114.38 116.06 1og6 h ARG 287 Ca -0.00 -0.24 -0.19 0.00 -0.81 0.00 0.00 59.98 58.73 1og6 h ARG 287 Cb 0.77 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1og6 h ARG 287 CO 0.03 0.85 -1.05 0.82 -1.51 0.00 0.00 179.97 179.10 1og6 h ILE 288 N 0.28 1.20 -0.15 1.20 2.04 -1.20 -2.75 117.51 118.12 1og6 h ILE 288 Ca -0.00 -2.82 -0.07 0.00 1.00 0.00 0.00 64.86 62.97 1og6 h ILE 288 Cb 1.10 2.56 -0.00 0.00 -0.74 0.00 0.00 36.82 39.75 1og6 h ILE 288 CO 0.10 0.68 -0.18 -0.09 0.00 0.00 0.00 178.15 178.66 1og6 h ARG 289 N 0.00 0.39 0.34 2.37 2.43 -1.25 -2.68 114.38 115.99 1og6 h ARG 289 Ca -0.08 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 1og6 h ARG 289 Cb 1.69 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.26 1og6 h ARG 289 CO 0.09 0.78 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.93 1og6 h LYS 290 N 0.02 -0.48 -0.57 0.20 1.63 -1.30 -1.49 116.57 114.57 1og6 h LYS 290 Ca 0.02 0.03 0.15 0.00 -0.85 0.00 0.00 60.65 60.00 1og6 h LYS 290 Cb 0.72 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.43 1og6 h LYS 290 CO 0.04 -0.32 0.40 0.00 -3.45 0.00 0.00 179.45 176.13 1og6 h ALA 291 N 0.15 2.42 0.00 5.00 0.00 -1.53 0.15 119.26 125.45 1og6 h ALA 291 Ca -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1og6 h ALA 291 Cb 0.40 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1og6 h ALA 291 CO 0.06 -0.57 -0.62 0.00 0.00 0.00 0.00 179.25 178.11 1og6 h ALA 292 N 1.72 0.73 0.00 0.00 0.00 -1.10 -3.26 119.26 117.34 1og6 h ALA 292 Ca 0.27 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 1og6 h ALA 292 Cb 0.97 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1og6 h ALA 292 CO -0.03 0.23 -2.17 1.28 0.00 0.00 0.00 179.25 178.56 1og6 n LEU 293 N -2.95 1.82 0.00 0.00 4.32 -0.36 -4.90 117.00 114.93 1og6 n LEU 293 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1og6 n LEU 293 Cb 0.61 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1og6 n LEU 293 CO 0.38 0.53 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 1og6 n GLY 294 N 1.87 1.06 3.21 -0.72 0.00 0.39 -5.09 105.19 105.90 1og6 n GLY 294 Ca -0.40 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.02 1.17 0.34 1.61 -0.85 -1.26 -5.06 117.35 111.27 1og6 s TYR 295 Ca 0.00 -1.33 0.01 0.00 -0.52 0.00 0.00 57.07 55.23 1og6 s TYR 295 Cb 0.00 -0.60 -0.03 0.00 0.38 0.00 0.00 41.96 41.71 1og6 s TYR 295 CO 0.00 -0.57 0.53 -0.51 -1.52 0.00 0.00 175.55 173.48 1og6 s ASP 296 N -3.17 6.30 0.72 -0.18 1.01 -1.26 -4.58 116.67 115.52 1og6 s ASP 296 Ca 0.37 0.42 -0.16 0.00 0.71 0.00 0.00 52.55 53.89 1og6 s ASP 296 Cb 0.07 -2.02 -0.01 0.00 1.01 0.00 0.00 42.92 41.97 1og6 s ASP 296 CO 0.11 -0.27 0.80 1.33 0.21 0.00 0.00 175.17 177.35 1og6 n VAL 297 N -1.73 2.35 0.00 -1.27 0.24 -1.26 -5.14 118.33 111.52 1og6 n VAL 297 Ca -0.05 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1og6 n VAL 297 Cb 0.56 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 1og6 n VAL 297 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04