#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias s VAL 2 N 0.00 2.28 -0.39 2.03 1.01 -0.15 -4.87 120.40 120.32 3ias s VAL 2 Ca 0.00 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.30 3ias s VAL 2 Cb 0.00 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3ias s VAL 2 CO 0.00 0.28 0.68 -0.60 0.00 0.00 0.00 175.10 175.46 3ias s ARG 3 N -1.52 3.57 -0.08 2.72 6.06 -1.26 -1.79 118.95 126.66 3ias s ARG 3 Ca 0.13 -0.01 0.00 0.00 -2.50 0.00 0.00 55.73 53.35 3ias s ARG 3 Cb -0.10 -3.85 0.02 0.00 0.06 0.00 0.00 34.95 31.08 3ias s ARG 3 CO 0.04 -0.86 -0.07 0.08 -2.50 0.00 0.00 175.30 171.99 3ias s VAL 4 N 2.87 0.81 -0.29 7.11 1.01 -0.35 0.12 120.40 131.68 3ias s VAL 4 Ca 0.26 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 3ias s VAL 4 Cb -0.14 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3ias s VAL 4 CO 0.17 0.31 0.30 -0.75 0.00 0.00 0.00 175.10 175.13 3ias s LYS 5 N 1.30 3.90 0.00 2.72 2.20 -0.38 0.50 119.74 129.98 3ias s LYS 5 Ca -0.04 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 3ias s LYS 5 Cb -0.14 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 3ias s LYS 5 CO -0.03 -0.29 0.01 0.28 -0.36 0.00 0.00 175.35 174.97 3ias n VAL 6 N 5.12 0.00 -0.01 4.02 0.31 0.04 -1.75 118.33 126.05 3ias n VAL 6 Ca -0.11 0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 64.28 3ias n VAL 6 Cb 0.51 -0.23 -0.01 0.00 -0.91 0.00 0.00 33.84 33.19 3ias n VAL 6 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ias n ASN 7 N -0.10 1.32 0.00 4.52 3.02 -1.26 -2.88 115.26 119.87 3ias n ASN 7 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 3ias n ASN 7 Cb 0.00 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3ias n ASN 7 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ias n ASP 8 N -3.76 0.35 -4.83 6.41 5.68 -1.26 -5.00 116.55 114.14 3ias n ASP 8 Ca -0.05 -0.74 -0.34 0.00 -0.50 0.00 0.00 54.79 53.16 3ias n ASP 8 Cb 0.19 0.20 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 3ias n ASP 8 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3ias s ARG 9 N -0.20 3.25 -0.09 0.11 3.52 -1.26 -5.10 118.95 119.18 3ias s ARG 9 Ca 0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 3ias s ARG 9 Cb 0.00 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 3ias s ARG 9 CO 0.00 0.70 -0.07 0.42 -0.81 0.00 0.00 175.30 175.54 3ias s ILE 10 N -1.14 3.70 -0.02 4.11 1.01 -1.26 -0.78 121.20 126.81 3ias s ILE 10 Ca 0.21 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 3ias s ILE 10 Cb -0.12 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.83 3ias s ILE 10 CO 0.11 0.58 0.03 -0.69 0.00 0.00 0.00 174.94 174.97 3ias s VAL 11 N -0.55 -0.02 0.47 2.92 1.01 0.18 -4.97 120.40 119.45 3ias s VAL 11 Ca 0.08 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 3ias s VAL 11 Cb -0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 36.38 36.11 3ias s VAL 11 CO 0.02 0.03 1.04 -1.61 0.00 0.00 0.00 175.10 174.58 3ias s GLU 12 N 0.34 3.85 -0.29 2.72 0.41 -1.25 -1.21 118.70 123.26 3ias s GLU 12 Ca -0.03 1.39 -0.19 0.00 -0.41 0.00 0.00 54.97 55.72 3ias s GLU 12 Cb -0.04 -2.16 0.16 0.00 -1.78 0.00 0.00 34.13 30.32 3ias s GLU 12 CO -0.01 -0.40 1.12 0.54 -0.49 0.00 0.00 175.26 176.03 3ias s VAL 13 N -1.93 0.00 0.93 2.63 0.11 -0.74 -4.91 120.40 116.49 3ias s VAL 13 Ca 0.66 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.56 3ias s VAL 13 Cb -0.17 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.61 3ias s VAL 13 CO 0.21 0.00 -0.20 -0.81 -3.33 0.00 0.00 175.10 170.97 3ias n PRO 14 N 2.91 -0.08 -0.08 1.54 -0.04 -1.26 -0.97 135.00 137.02 3ias n PRO 14 Ca -0.16 -0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 3ias n PRO 14 Cb 0.57 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 3ias n PRO 14 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3ias h PRO 15 N -1.09 0.39 -1.47 0.54 0.13 -1.93 -3.19 132.00 125.38 3ias h PRO 15 Ca -0.44 -0.04 -0.43 0.00 -0.87 0.00 0.00 66.00 64.23 3ias h PRO 15 Cb 1.31 -0.08 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 3ias h PRO 15 CO 0.30 0.30 0.53 0.41 -0.23 0.00 0.00 178.00 179.31 3ias n GLY 16 N -1.05 4.54 3.87 1.56 0.00 -1.26 -4.50 105.19 108.35 3ias n GLY 16 Ca -0.02 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3ias n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ias s THR 17 N -2.89 4.90 0.12 2.61 2.01 -1.20 -4.49 115.64 116.69 3ias s THR 17 Ca 0.41 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.70 3ias s THR 17 Cb 0.32 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 69.12 3ias s THR 17 CO -0.03 -0.00 1.10 -0.55 -0.69 0.00 0.00 174.62 174.45 3ias s SER 18 N -2.20 7.24 0.45 3.53 0.15 -1.26 -1.64 113.70 119.97 3ias s SER 18 Ca 0.45 1.99 0.20 0.00 0.70 0.00 0.00 55.95 59.30 3ias s SER 18 Cb -0.12 -2.59 1.17 0.00 -1.71 0.00 0.00 66.02 62.76 3ias s SER 18 CO 0.20 -0.29 1.89 0.58 1.20 0.00 0.00 173.24 176.83 3ias h VAL 19 N 4.11 0.70 0.26 4.45 2.07 -0.97 0.30 116.25 127.16 3ias h VAL 19 Ca -0.43 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3ias h VAL 19 Cb 1.21 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3ias h VAL 19 CO 0.75 0.06 -0.14 -0.03 0.02 0.00 0.00 177.57 178.23 3ias h MET 20 N 0.31 -0.35 -0.66 1.57 1.85 0.38 -1.41 114.93 116.62 3ias h MET 20 Ca 0.42 0.02 0.19 0.00 -0.61 0.00 0.00 59.70 59.72 3ias h MET 20 Cb 1.15 0.08 -0.03 0.00 0.43 0.00 0.00 31.60 33.23 3ias h MET 20 CO -0.12 -0.23 0.53 -0.44 -0.40 0.00 0.00 176.91 176.25 3ias h ASP 21 N -0.36 0.00 0.45 1.39 5.19 -1.58 0.25 116.42 121.76 3ias h ASP 21 Ca -0.03 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 3ias h ASP 21 Cb 0.28 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 3ias h ASP 21 CO 0.05 0.00 -0.30 0.00 -3.12 0.00 0.00 179.24 175.87 3ias h ALA 22 N 1.56 -1.10 -0.57 3.45 0.00 -0.19 0.04 119.26 122.45 3ias h ALA 22 Ca 0.31 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3ias h ALA 22 Cb 1.37 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 19.48 3ias h ALA 22 CO -0.00 -1.08 -0.37 0.28 0.00 0.00 0.00 179.25 178.07 3ias h VAL 23 N -0.71 0.14 -0.46 0.00 2.07 0.56 -0.22 116.25 117.65 3ias h VAL 23 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3ias h VAL 23 Cb 0.57 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3ias h VAL 23 CO 0.05 0.00 0.18 -0.26 0.02 0.00 0.00 177.57 177.55 3ias h PHE 24 N -0.20 0.65 -0.59 1.57 0.04 -1.18 -1.55 116.94 115.67 3ias h PHE 24 Ca 0.21 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 3ias h PHE 24 Cb 0.56 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 3ias h PHE 24 CO -0.65 0.51 0.14 1.25 -0.60 0.00 0.00 178.31 178.96 3ias h HIS 25 N 0.65 1.00 0.00 -0.55 2.76 0.53 -0.01 115.15 119.53 3ias h HIS 25 Ca 0.16 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3ias h HIS 25 Cb 0.14 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.82 3ias h HIS 25 CO 0.01 0.85 0.00 0.00 -1.30 0.00 0.00 177.93 177.49 3ias h ALA 26 N 1.03 1.00 -0.53 5.26 0.00 -0.42 -3.43 119.26 122.17 3ias h ALA 26 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ias h ALA 26 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ias h ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3ias n GLY 27 N -0.57 0.89 0.00 0.00 0.00 -0.02 -5.01 105.19 100.49 3ias n GLY 27 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3ias n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ias n TYR 28 N -1.01 0.00 -3.58 1.61 4.02 -0.65 -5.01 117.16 112.54 3ias n TYR 28 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 3ias n TYR 28 Cb 0.23 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.50 3ias n TYR 28 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 3ias s ASP 29 N 0.59 -0.30 -0.22 7.72 -4.77 -1.26 -4.65 116.67 113.78 3ias s ASP 29 Ca 0.00 0.26 -0.27 0.00 -3.30 0.00 0.00 52.55 49.24 3ias s ASP 29 Cb 0.00 0.26 0.10 0.00 -1.09 0.00 0.00 42.92 42.20 3ias s ASP 29 CO 0.00 -0.33 0.90 0.54 0.70 0.00 0.00 175.17 176.98 3ias s VAL 30 N -1.51 0.00 0.05 2.11 0.11 -1.26 -5.00 120.40 114.89 3ias s VAL 30 Ca 0.02 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 58.74 3ias s VAL 30 Cb -0.01 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.73 3ias s VAL 30 CO -0.02 0.00 1.82 -2.65 -3.33 0.00 0.00 175.10 170.92 3ias n PRO 31 N 1.84 2.48 -3.87 1.54 -0.02 -1.26 -4.90 135.00 130.80 3ias n PRO 31 Ca -0.13 0.90 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 3ias n PRO 31 Cb 0.56 -2.77 -0.16 0.00 -0.02 0.00 0.00 33.50 31.12 3ias n PRO 31 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ias s LEU 32 N 3.06 2.01 0.00 2.45 1.98 -1.26 -1.99 118.68 124.93 3ias s LEU 32 Ca 0.86 -0.98 0.00 0.00 -2.89 0.00 0.00 54.13 51.11 3ias s LEU 32 Cb -0.58 -0.97 0.00 0.00 0.66 0.00 0.00 46.19 45.30 3ias s LEU 32 CO 0.43 -0.25 0.00 0.49 -1.89 0.00 0.00 176.35 175.13 3ias n PHE 33 N 4.81 0.00 -0.05 5.38 3.01 -1.26 -4.92 117.46 124.44 3ias n PHE 33 Ca -0.11 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.32 3ias n PHE 33 Cb 0.46 0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.83 3ias n PHE 33 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ias s SER 35 N -4.30 4.73 -0.18 0.00 0.01 -1.26 -4.52 113.70 108.18 3ias s SER 35 Ca -0.06 1.80 -0.28 0.00 1.31 0.00 0.00 55.95 58.73 3ias s SER 35 Cb 0.05 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.84 3ias s SER 35 CO 0.51 -1.88 0.76 -0.70 0.41 0.00 0.00 173.24 172.34 3ias s GLU 36 N -4.85 0.87 -0.31 12.44 2.56 -1.21 -5.05 118.70 123.15 3ias s GLU 36 Ca 0.61 0.62 -0.40 0.00 0.00 0.00 0.00 54.97 55.80 3ias s GLU 36 Cb -0.17 0.42 -0.15 0.00 2.00 0.00 0.00 34.13 36.22 3ias s GLU 36 CO 0.54 -0.19 1.82 1.63 -0.56 0.00 0.00 175.26 178.50 3ias n LYS 37 N 1.84 1.04 -0.82 4.30 5.02 -1.25 -1.45 118.16 126.84 3ias n LYS 37 Ca -0.15 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3ias n LYS 37 Cb 0.56 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 3ias n LYS 37 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3ias n HIS 38 N 5.98 0.00 -4.51 2.13 8.25 -1.26 -5.03 115.22 120.78 3ias n HIS 38 Ca 0.30 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.46 3ias n HIS 38 Cb 0.12 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.11 3ias n HIS 38 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ias s LEU 39 N 0.00 2.55 -0.08 2.41 1.43 -0.53 -4.97 118.68 119.50 3ias s LEU 39 Ca 0.00 -0.54 -0.36 0.00 -1.03 0.00 0.00 54.13 52.20 3ias s LEU 39 Cb 0.00 -1.46 -0.14 0.00 0.03 0.00 0.00 46.19 44.62 3ias s LEU 39 CO 0.00 0.22 1.71 -1.54 0.23 0.00 0.00 176.35 176.97 3ias n SER 40 N 1.19 2.83 -4.76 2.29 3.41 -1.26 -4.39 113.62 112.93 3ias n SER 40 Ca -0.16 1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 59.08 3ias n SER 40 Cb 0.52 -1.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 3ias n SER 40 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3ias s PRO 41 N 2.87 4.40 0.03 4.33 0.04 -1.25 -4.83 135.00 140.59 3ias s PRO 41 Ca 0.91 2.12 0.01 0.00 0.04 0.00 0.00 61.00 64.08 3ias s PRO 41 Cb -0.84 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 3ias s PRO 41 CO 0.53 -0.16 -0.05 0.42 0.04 0.00 0.00 177.00 177.78 3ias s ILE 42 N -0.75 0.32 -1.25 0.56 1.09 -1.26 -4.77 121.20 115.13 3ias s ILE 42 Ca 0.51 -0.96 -0.13 0.00 -1.10 0.00 0.00 60.65 58.96 3ias s ILE 42 Cb -0.38 -0.42 0.15 0.00 -1.06 0.00 0.00 42.46 40.75 3ias s ILE 42 CO 0.47 -0.43 1.61 0.61 -0.10 0.00 0.00 174.94 177.10 3ias n GLY 43 N 1.58 3.65 0.00 6.18 0.00 -1.26 -4.68 105.19 110.66 3ias n GLY 43 Ca -0.23 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.84 3ias n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 44 N 5.59 0.00 0.03 4.61 0.00 -1.26 -4.58 120.51 124.90 3ias n ALA 44 Ca 0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.70 3ias n ALA 44 Cb 0.41 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.03 3ias n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias n ARG 46 N -4.05 -0.27 0.04 0.00 1.74 -1.26 -4.99 116.66 107.87 3ias n ARG 46 Ca -0.01 0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 56.89 3ias n ARG 46 Cb 0.48 -2.88 -0.14 0.00 -1.02 0.00 0.00 32.46 28.89 3ias n ARG 46 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3ias h MET 47 N -0.08 0.30 -1.84 5.56 2.86 -1.92 -3.39 114.93 116.42 3ias h MET 47 Ca -0.02 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 3ias h MET 47 Cb 1.02 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3ias h MET 47 CO 0.02 1.22 0.00 0.00 1.06 0.00 0.00 176.91 179.21 3ias s LEU 49 N 0.00 3.92 0.32 0.00 1.43 -1.25 -0.87 118.68 122.22 3ias s LEU 49 Ca 0.00 2.39 -0.01 0.00 -1.03 0.00 0.00 54.13 55.47 3ias s LEU 49 Cb 0.00 -4.32 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 3ias s LEU 49 CO 0.00 -1.14 0.41 0.68 0.23 0.00 0.00 176.35 176.53 3ias s VAL 50 N -1.53 0.00 0.12 -1.59 -7.23 -0.53 -4.85 120.40 104.79 3ias s VAL 50 Ca 0.67 -1.69 0.07 0.00 -1.81 0.00 0.00 61.98 59.23 3ias s VAL 50 Cb -0.30 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 3ias s VAL 50 CO 0.36 0.00 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.50 3ias s ARG 51 N -3.28 2.28 -0.01 4.82 3.52 -0.95 -1.00 118.95 124.32 3ias s ARG 51 Ca 0.32 -1.02 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 3ias s ARG 51 Cb 0.01 -2.36 0.01 0.00 -1.56 0.00 0.00 34.95 31.04 3ias s ARG 51 CO 0.20 0.50 -0.02 0.42 -0.81 0.00 0.00 175.30 175.59 3ias s ILE 52 N -1.38 0.20 0.12 4.11 1.01 -1.26 -1.95 121.20 122.05 3ias s ILE 52 Ca 0.24 -0.05 0.11 0.00 0.00 0.00 0.00 60.65 60.95 3ias s ILE 52 Cb -0.11 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 3ias s ILE 52 CO 0.16 0.09 -0.27 -0.83 0.00 0.00 0.00 174.94 174.09 3ias s GLY 53 N 0.32 1.57 -0.44 6.18 0.00 -0.40 -0.28 107.32 114.26 3ias s GLY 53 Ca -0.03 -1.45 0.07 0.00 0.00 0.00 0.00 44.72 43.31 3ias s GLY 53 CO -0.01 -1.43 1.01 -0.10 0.00 0.00 0.00 173.10 172.58 3ias n LEU 54 N 0.98 -1.66 0.22 0.66 7.94 -0.92 -1.74 117.00 122.48 3ias n LEU 54 Ca -0.18 -3.98 0.00 0.00 -1.11 0.00 0.00 56.01 50.74 3ias n LEU 54 Cb 0.53 0.88 0.00 0.00 0.53 0.00 0.00 43.42 45.36 3ias n LEU 54 CO 0.23 2.12 0.00 -0.81 -1.11 0.00 0.00 177.39 177.82 3ias n PRO 55 N 0.44 0.00 -2.38 1.96 -0.04 -1.26 -4.82 135.00 128.91 3ias n PRO 55 Ca 0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 3ias n PRO 55 Cb 0.68 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.12 3ias n PRO 55 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ias s ILE 73 N -2.00 3.91 -0.16 0.52 1.01 -1.26 -5.05 121.20 118.18 3ias s ILE 73 Ca 0.00 0.91 -0.00 0.00 0.00 0.00 0.00 60.65 61.56 3ias s ILE 73 Cb 0.00 -4.27 0.04 0.00 0.01 0.00 0.00 42.46 38.23 3ias s ILE 73 CO 0.00 -0.84 -0.07 -1.10 0.00 0.00 0.00 174.94 172.93 3ias s GLN 74 N 4.98 1.57 -0.31 2.79 -0.21 -1.26 -5.12 119.66 122.10 3ias s GLN 74 Ca 0.59 -0.49 -0.28 0.00 0.02 0.00 0.00 55.36 55.20 3ias s GLN 74 Cb -0.13 -1.96 0.01 0.00 1.00 0.00 0.00 33.01 31.94 3ias s GLN 74 CO 0.32 -0.38 1.02 -1.58 -2.12 0.00 0.00 175.29 172.54 3ias s TRP 75 N 1.62 3.17 0.47 0.91 0.23 -1.26 -2.17 118.94 121.90 3ias s TRP 75 Ca 0.02 1.13 -0.22 0.00 -2.03 0.00 0.00 56.10 55.00 3ias s TRP 75 Cb -0.15 -3.58 -0.09 0.00 0.03 0.00 0.00 33.47 29.68 3ias s TRP 75 CO -0.08 -0.71 0.92 1.04 0.96 0.00 0.00 176.95 179.07 3ias n GLN 76 N 6.71 1.12 -0.03 4.98 1.13 0.61 -4.91 117.38 126.99 3ias n GLN 76 Ca 0.10 0.41 -0.14 0.00 -1.94 0.00 0.00 57.00 55.43 3ias n GLN 76 Cb 0.47 -1.99 -0.09 0.00 0.11 0.00 0.00 30.24 28.74 3ias n GLN 76 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3ias h PRO 77 N 1.16 0.23 -6.16 -1.09 0.11 -1.95 -3.45 132.00 120.86 3ias h PRO 77 Ca -0.45 -0.17 -0.66 0.00 0.11 0.00 0.00 66.00 64.83 3ias h PRO 77 Cb 1.35 0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.36 3ias h PRO 77 CO 0.54 0.79 -0.64 -1.59 -0.21 0.00 0.00 178.00 176.90 3ias s LYS 78 N -3.77 2.79 0.69 1.05 -2.85 -1.26 -5.10 119.74 111.30 3ias s LYS 78 Ca -0.15 -0.62 -0.16 0.00 -1.00 0.00 0.00 55.97 54.04 3ias s LYS 78 Cb 0.03 -2.67 0.02 0.00 -2.06 0.00 0.00 37.83 33.14 3ias s LYS 78 CO 0.74 0.62 1.23 -0.51 0.10 0.00 0.00 175.35 177.53 3ias s LEU 79 N -1.64 3.42 0.21 2.77 1.43 -1.26 -4.83 118.68 118.78 3ias s LEU 79 Ca 0.20 2.42 0.09 0.00 -1.03 0.00 0.00 54.13 55.82 3ias s LEU 79 Cb -0.12 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.46 3ias s LEU 79 CO 0.11 -2.12 -0.09 0.00 0.23 0.00 0.00 176.35 174.48 3ias s ALA 80 N -1.80 2.95 -0.82 4.21 0.00 -0.17 -4.89 121.76 121.24 3ias s ALA 80 Ca 0.77 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.95 3ias s ALA 80 Cb -0.31 -0.68 0.07 0.00 0.00 0.00 0.00 23.12 22.20 3ias s ALA 80 CO 0.42 0.41 1.18 0.00 0.00 0.00 0.00 175.76 177.78 3ias s ALA 81 N -1.89 3.00 0.38 0.00 0.00 -1.26 -1.45 121.76 120.54 3ias s ALA 81 Ca 0.26 -2.06 0.18 0.00 0.00 0.00 0.00 51.96 50.34 3ias s ALA 81 Cb -0.08 -4.15 0.96 0.00 0.00 0.00 0.00 23.12 19.85 3ias s ALA 81 CO 0.16 -3.13 1.48 0.66 0.00 0.00 0.00 175.76 174.93 3ias h SER 82 N 9.55 0.00 0.70 0.00 4.64 -1.34 0.11 113.55 127.21 3ias h SER 82 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3ias h SER 82 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3ias h SER 82 CO 1.24 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 176.85 3ias n VAL 84 N -1.57 0.00 -3.49 0.00 0.24 0.34 -4.80 118.33 109.05 3ias n VAL 84 Ca 0.06 -0.26 -0.37 0.00 -2.04 0.00 0.00 64.34 61.73 3ias n VAL 84 Cb 0.35 1.43 -0.07 0.00 -1.47 0.00 0.00 33.84 34.08 3ias n VAL 84 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3ias s THR 85 N -0.06 5.27 0.51 3.34 2.01 -0.95 -5.03 115.64 120.74 3ias s THR 85 Ca 0.00 0.65 -0.14 0.00 0.31 0.00 0.00 61.69 62.51 3ias s THR 85 Cb 0.00 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 3ias s THR 85 CO 0.00 0.38 0.95 0.00 -0.69 0.00 0.00 174.62 175.26 3ias s ALA 86 N 0.43 3.14 0.35 7.40 0.00 -1.26 -1.18 121.76 130.64 3ias s ALA 86 Ca 0.19 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 3ias s ALA 86 Cb -0.14 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 3ias s ALA 86 CO 0.06 -0.30 0.97 0.14 0.00 0.00 0.00 175.76 176.63 3ias s VAL 87 N -2.70 4.10 0.18 0.00 -7.23 -0.65 -4.71 120.40 109.39 3ias s VAL 87 Ca 0.56 1.66 0.08 0.00 -1.81 0.00 0.00 61.98 62.47 3ias s VAL 87 Cb -0.10 -3.88 -0.04 0.00 0.56 0.00 0.00 36.38 32.91 3ias s VAL 87 CO 0.37 0.06 -0.16 0.00 -0.31 0.00 0.00 175.10 175.06 3ias s ALA 88 N -1.68 1.97 0.25 1.32 0.00 -1.26 -4.81 121.76 117.55 3ias s ALA 88 Ca 0.53 -1.57 -0.31 0.00 0.00 0.00 0.00 51.96 50.61 3ias s ALA 88 Cb -0.19 -0.12 -0.11 0.00 0.00 0.00 0.00 23.12 22.70 3ias s ALA 88 CO 0.24 0.13 1.61 0.34 0.00 0.00 0.00 175.76 178.08 3ias s ASP 89 N -3.02 6.42 -0.81 0.00 -1.08 -1.26 -3.20 116.67 113.72 3ias s ASP 89 Ca 0.19 2.87 -0.01 0.00 -0.52 0.00 0.00 52.55 55.08 3ias s ASP 89 Cb -0.03 -2.62 -0.01 0.00 -1.46 0.00 0.00 42.92 38.80 3ias s ASP 89 CO 0.06 -0.90 0.68 0.61 0.52 0.00 0.00 175.17 176.14 3ias n GLY 90 N 2.82 -0.21 3.40 2.66 0.00 0.12 -4.96 105.19 109.01 3ias n GLY 90 Ca 0.11 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3ias n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ias s MET 91 N -4.71 3.46 -0.13 1.61 0.00 -1.19 -4.33 119.30 114.01 3ias s MET 91 Ca 0.07 -0.64 -0.12 0.00 0.00 0.00 0.00 55.69 55.00 3ias s MET 91 Cb -0.01 -2.72 -0.05 0.00 0.00 0.00 0.00 34.83 32.06 3ias s MET 91 CO 0.51 0.20 0.27 0.08 0.00 0.00 0.00 175.02 176.08 3ias s VAL 92 N 0.40 5.30 -0.37 10.11 1.01 -0.71 -1.25 120.40 134.89 3ias s VAL 92 Ca -0.09 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3ias s VAL 92 Cb -0.15 -3.59 0.11 0.00 0.00 0.00 0.00 36.38 32.75 3ias s VAL 92 CO 0.05 0.47 0.13 -0.69 0.00 0.00 0.00 175.10 175.06 3ias s VAL 93 N -0.12 1.55 -0.22 2.92 1.01 -0.72 -1.27 120.40 123.56 3ias s VAL 93 Ca 0.17 -2.10 -0.29 0.00 0.00 0.00 0.00 61.98 59.75 3ias s VAL 93 Cb -0.13 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.12 3ias s VAL 93 CO 0.05 -0.72 1.05 -0.62 0.00 0.00 0.00 175.10 174.87 3ias s ASP 94 N 0.95 7.10 -0.15 3.32 2.15 -0.82 -4.11 116.67 125.11 3ias s ASP 94 Ca 0.13 1.41 0.18 0.00 0.43 0.00 0.00 52.55 54.70 3ias s ASP 94 Cb -0.20 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.23 3ias s ASP 94 CO -0.12 -0.66 1.22 0.35 -0.17 0.00 0.00 175.17 175.78 3ias n THR 95 N 5.26 2.00 0.00 1.71 -2.24 -1.26 -2.23 114.28 117.52 3ias n THR 95 Ca 0.12 -2.23 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 3ias n THR 95 Cb 0.46 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3ias n THR 95 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ias n LEU 96 N -1.22 0.00 -4.34 3.22 4.32 -1.26 -4.87 117.00 112.85 3ias n LEU 96 Ca 0.18 -0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.74 3ias n LEU 96 Cb 0.70 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.50 3ias n LEU 96 CO 0.04 0.00 -0.31 -1.20 -1.22 0.00 0.00 177.39 174.70 3ias n SER 97 N -0.68 -2.39 -0.20 -1.43 7.64 -1.26 -4.60 113.62 110.70 3ias n SER 97 Ca 0.00 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.72 3ias n SER 97 Cb 0.00 -0.94 0.11 0.00 -1.01 0.00 0.00 64.21 62.37 3ias n SER 97 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ias h ASP 98 N 0.43 0.16 -1.00 6.43 3.32 -1.99 -0.40 116.42 123.38 3ias h ASP 98 Ca -0.37 0.09 0.22 0.00 0.02 0.00 0.00 57.03 56.98 3ias h ASP 98 Cb 1.44 0.08 -0.11 0.00 0.22 0.00 0.00 39.33 40.96 3ias h ASP 98 CO 0.48 0.10 0.62 0.58 -1.72 0.00 0.00 179.24 179.30 3ias h VAL 99 N 0.36 0.62 0.18 -1.35 2.07 -1.99 0.22 116.25 116.36 3ias h VAL 99 Ca 0.31 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3ias h VAL 99 Cb 0.40 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3ias h VAL 99 CO -0.33 0.11 -0.09 0.58 0.02 0.00 0.00 177.57 177.87 3ias h VAL 100 N 0.61 0.77 -0.21 2.57 2.07 -1.44 -2.94 116.25 117.68 3ias h VAL 100 Ca 0.59 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 67.09 3ias h VAL 100 Cb 1.13 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3ias h VAL 100 CO -0.37 0.20 -0.13 0.03 0.02 0.00 0.00 177.57 177.31 3ias h ARG 101 N -0.88 -0.11 -1.04 1.57 3.08 -0.59 0.63 114.38 117.04 3ias h ARG 101 Ca -0.02 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.30 3ias h ARG 101 Cb 0.51 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.49 3ias h ARG 101 CO 0.04 -0.08 0.67 1.49 -1.07 0.00 0.00 179.97 181.02 3ias h GLU 102 N -0.12 0.39 -0.02 0.04 4.81 -0.69 0.17 114.58 119.15 3ias h GLU 102 Ca 0.12 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 3ias h GLU 102 Cb 0.30 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.60 3ias h GLU 102 CO -0.29 0.26 -0.54 0.00 -0.73 0.00 0.00 179.01 177.71 3ias h ALA 103 N 1.62 0.10 -0.56 2.92 0.00 -0.74 -2.37 119.26 120.24 3ias h ALA 103 Ca 0.60 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ias h ALA 103 Cb 1.50 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3ias h ALA 103 CO -0.30 0.33 0.24 1.96 0.00 0.00 0.00 179.25 181.47 3ias h GLN 104 N -0.09 0.82 -0.40 0.00 4.20 0.14 -0.58 115.11 119.19 3ias h GLN 104 Ca -0.06 -0.14 0.08 0.00 0.06 0.00 0.00 58.65 58.59 3ias h GLN 104 Cb 1.24 -0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.78 3ias h GLN 104 CO 0.11 0.69 -0.33 0.00 -0.67 0.00 0.00 178.83 178.63 3ias h ALA 105 N 1.08 -0.20 -0.38 3.87 0.00 -0.74 0.15 119.26 123.05 3ias h ALA 105 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ias h ALA 105 Cb 0.17 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3ias h ALA 105 CO -0.02 -0.73 0.24 0.78 0.00 0.00 0.00 179.25 179.52 3ias h GLY 106 N -0.26 0.54 1.01 0.00 0.00 -1.03 -1.32 103.07 102.01 3ias h GLY 106 Ca 0.17 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3ias h GLY 106 CO -0.54 0.21 0.60 1.98 0.00 0.00 0.00 176.54 178.78 3ias h MET 107 N 0.51 1.20 -0.56 4.80 -1.53 0.01 0.12 114.93 119.48 3ias h MET 107 Ca 0.14 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.32 3ias h MET 107 Cb -0.03 -0.27 -0.03 0.00 -0.55 0.00 0.00 31.60 30.72 3ias h MET 107 CO -0.03 0.79 0.34 0.28 0.14 0.00 0.00 176.91 178.44 3ias h VAL 108 N 1.23 1.16 -0.94 -5.77 2.07 -0.56 -1.47 116.25 111.98 3ias h VAL 108 Ca 0.33 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.62 3ias h VAL 108 Cb -0.14 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 29.94 3ias h VAL 108 CO -0.07 0.17 0.57 -0.08 0.02 0.00 0.00 177.57 178.17 3ias h GLU 109 N 0.75 0.87 -0.39 1.57 4.81 0.32 -1.29 114.58 121.23 3ias h GLU 109 Ca 0.20 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3ias h GLU 109 Cb -0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3ias h GLU 109 CO -0.04 0.58 -0.13 0.74 -0.73 0.00 0.00 179.01 179.43 3ias h PHE 110 N 0.90 0.87 -0.95 0.92 0.04 -0.40 -1.42 116.94 116.91 3ias h PHE 110 Ca 0.46 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 3ias h PHE 110 Cb 0.47 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 3ias h PHE 110 CO -0.03 0.92 0.58 1.15 -0.60 0.00 0.00 178.31 180.33 3ias h THR 111 N 0.57 1.26 0.00 -1.55 2.02 -0.37 -2.50 112.91 112.34 3ias h THR 111 Ca 0.09 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3ias h THR 111 Cb 0.66 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3ias h THR 111 CO 0.04 0.27 0.00 -0.07 0.37 0.00 0.00 175.52 176.13 3ias h LEU 112 N 1.30 0.00 -0.95 2.58 3.38 -1.14 -3.37 115.31 117.11 3ias h LEU 112 Ca 0.34 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.61 3ias h LEU 112 Cb -0.08 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.51 3ias h LEU 112 CO -0.07 0.00 0.29 0.25 0.09 0.00 0.00 178.44 179.00 3ias h LEU 113 N 0.00 0.01 -1.88 1.67 5.85 -0.78 -2.51 115.31 117.68 3ias h LEU 113 Ca 0.00 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3ias h LEU 113 Cb 0.89 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3ias h LEU 113 CO 0.00 -0.26 0.00 0.59 -0.34 0.00 0.00 178.44 178.43 3ias n ASN 114 N -5.28 2.03 -4.65 1.25 3.02 -1.26 -4.87 115.26 105.50 3ias n ASN 114 Ca 0.27 -1.57 -0.30 0.00 -0.03 0.00 0.00 54.58 52.95 3ias n ASN 114 Cb 0.87 -0.06 0.17 0.00 -0.61 0.00 0.00 39.78 40.15 3ias n ASN 114 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ias s HIS 115 N -0.79 1.88 -1.66 3.10 2.46 -0.95 -3.91 115.29 115.43 3ias s HIS 115 Ca 0.12 1.42 0.24 0.00 0.47 0.00 0.00 55.06 57.31 3ias s HIS 115 Cb 0.07 -3.19 0.35 0.00 -0.13 0.00 0.00 32.58 29.69 3ias s HIS 115 CO 0.11 -2.86 1.31 -0.35 -2.47 0.00 0.00 174.74 170.48 3ias n PRO 116 N -4.23 0.75 -2.72 2.88 -0.04 -1.26 -4.88 135.00 125.51 3ias n PRO 116 Ca 0.08 -0.54 -0.08 0.00 -0.04 0.00 0.00 63.50 62.92 3ias n PRO 116 Cb 0.54 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.55 3ias n PRO 116 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ias n LEU 117 N -0.65 -2.79 -0.04 1.53 4.77 -1.26 -4.98 117.00 113.57 3ias n LEU 117 Ca 0.09 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3ias n LEU 117 Cb 0.38 -1.61 -0.13 0.00 -2.33 0.00 0.00 43.42 39.74 3ias n LEU 117 CO 0.30 0.20 -0.87 0.47 -1.33 0.00 0.00 177.39 176.15 3ias n ASP 118 N -1.45 0.96 0.00 -1.43 8.00 -1.26 -4.86 116.55 116.51 3ias n ASP 118 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3ias n ASP 118 Cb 0.56 1.35 0.00 0.00 -0.02 0.00 0.00 41.12 43.01 3ias n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ias h PRO 120 N 0.00 0.57 0.00 0.00 0.13 -1.99 0.26 132.00 130.97 3ias h PRO 120 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3ias h PRO 120 Cb 0.00 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.00 3ias h PRO 120 CO 0.00 0.38 -0.97 -2.37 -0.23 0.00 0.00 178.00 174.81 3ias n THR 121 N -4.76 0.42 -2.45 1.56 5.66 0.44 -4.92 114.28 110.24 3ias n THR 121 Ca 0.25 -0.41 -0.42 0.00 -3.05 0.00 0.00 64.05 60.41 3ias n THR 121 Cb 0.71 -0.15 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 3ias n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ias n ASP 123 N 4.52 0.00 0.00 0.00 2.03 -1.26 -2.25 116.55 119.59 3ias n ASP 123 Ca 0.10 -0.07 0.14 0.00 0.52 0.00 0.00 54.79 55.48 3ias n ASP 123 Cb 0.47 -0.18 0.69 0.00 -0.72 0.00 0.00 41.12 41.37 3ias n ASP 123 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3ias n LYS 124 N -1.18 0.33 0.00 -0.67 0.00 -1.26 -4.79 118.16 110.58 3ias n LYS 124 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.40 3ias n LYS 124 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.61 3ias n LYS 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ias n GLY 125 N 1.16 0.78 1.38 3.14 0.00 -0.95 -2.03 105.19 108.66 3ias n GLY 125 Ca 0.12 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 3ias n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 126 N 0.00 2.77 2.27 -0.02 0.00 -1.26 -3.99 105.19 104.96 3ias n GLY 126 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 3ias n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 127 N -0.04 4.78 -3.78 4.61 0.00 -0.86 -4.99 120.51 120.23 3ias n ALA 127 Ca 0.19 -3.87 -0.33 0.00 0.00 0.00 0.00 53.44 49.44 3ias n ALA 127 Cb 0.87 -0.46 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 3ias n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias h GLU 129 N 7.49 0.00 -0.01 0.00 5.08 -1.55 -2.81 114.58 122.78 3ias h GLU 129 Ca -0.36 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3ias h GLU 129 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ias h GLU 129 CO 0.58 0.08 -0.11 1.25 -1.00 0.00 0.00 179.01 179.81 3ias h LEU 130 N 0.00 0.12 0.17 1.33 5.85 -1.95 -2.72 115.31 118.10 3ias h LEU 130 Ca -0.00 -0.73 -0.00 0.00 0.84 0.00 0.00 57.88 57.99 3ias h LEU 130 Cb 0.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3ias h LEU 130 CO 0.01 0.83 -0.22 1.56 -0.34 0.00 0.00 178.44 180.27 3ias h GLN 131 N -0.58 -0.39 -0.54 1.25 4.20 -1.86 -0.16 115.11 117.02 3ias h GLN 131 Ca -0.01 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.79 3ias h GLN 131 Cb 0.83 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.61 3ias h GLN 131 CO 0.02 -0.26 -0.56 -0.44 -0.67 0.00 0.00 178.83 176.92 3ias h ASP 132 N -0.41 -1.91 -0.59 1.46 5.19 -1.60 0.52 116.42 119.09 3ias h ASP 132 Ca -0.02 0.26 0.07 0.00 -0.62 0.00 0.00 57.03 56.72 3ias h ASP 132 Cb 0.36 0.80 -0.03 0.00 0.18 0.00 0.00 39.33 40.64 3ias h ASP 132 CO -0.05 -0.37 0.39 0.03 -3.12 0.00 0.00 179.24 176.12 3ias h ARG 133 N -0.31 0.51 -0.05 3.56 -0.00 -1.50 0.80 114.38 117.39 3ias h ARG 133 Ca 0.10 -0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.57 3ias h ARG 133 Cb 0.56 -0.12 -0.03 0.00 0.00 0.00 0.00 29.97 30.38 3ias h ARG 133 CO -0.67 0.34 -0.11 1.15 0.00 0.00 0.00 179.97 180.68 3ias h THR 134 N 0.53 0.72 -0.29 2.04 2.02 0.19 0.34 112.91 118.46 3ias h THR 134 Ca 0.26 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.34 3ias h THR 134 Cb 0.33 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3ias h THR 134 CO -0.07 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.20 3ias h VAL 135 N -0.16 1.30 0.32 3.16 2.07 -0.58 0.36 116.25 122.73 3ias h VAL 135 Ca 0.06 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3ias h VAL 135 Cb 0.24 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3ias h VAL 135 CO -0.14 0.42 -0.22 -0.33 0.02 0.00 0.00 177.57 177.32 3ias h GLU 136 N 0.38 -0.51 0.00 1.57 5.08 0.86 -3.38 114.58 118.58 3ias h GLU 136 Ca 0.06 0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3ias h GLU 136 Cb 0.74 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3ias h GLU 136 CO 0.05 -0.34 -1.54 0.66 -1.00 0.00 0.00 179.01 176.84 3ias n TYR 137 N -5.35 0.00 -0.31 4.33 4.02 0.09 -5.06 117.16 114.88 3ias n TYR 137 Ca -0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.50 3ias n TYR 137 Cb 0.26 -0.37 0.28 0.00 -0.02 0.00 0.00 39.34 39.49 3ias n TYR 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ias n GLY 138 N 2.36 -3.37 2.94 2.72 0.00 0.12 -4.45 105.19 105.50 3ias n GLY 138 Ca -0.11 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.38 3ias n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ias n LEU 139 N -5.28 -6.03 -4.73 0.99 4.77 -1.26 -4.91 117.00 100.55 3ias n LEU 139 Ca 0.10 0.94 -0.41 0.00 -0.03 0.00 0.00 56.01 56.61 3ias n LEU 139 Cb 0.57 -2.57 -0.04 0.00 -2.33 0.00 0.00 43.42 39.05 3ias n LEU 139 CO 0.44 -2.37 0.73 -0.47 -1.33 0.00 0.00 177.39 174.39 3ias s TYR 140 N -1.40 3.70 -0.41 -1.77 5.04 -1.26 -4.99 117.35 116.26 3ias s TYR 140 Ca 0.02 1.68 -0.22 0.00 -2.44 0.00 0.00 57.07 56.11 3ias s TYR 140 Cb -0.00 -3.16 0.02 0.00 0.35 0.00 0.00 41.96 39.16 3ias s TYR 140 CO 0.46 -0.20 0.70 -2.00 -1.34 0.00 0.00 175.55 173.16 3ias s GLU 141 N 0.07 3.48 0.18 4.97 2.12 -1.26 -5.04 118.70 123.22 3ias s GLU 141 Ca 0.49 -0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.68 3ias s GLU 141 Cb -0.26 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.19 3ias s GLU 141 CO 0.31 -0.95 0.41 -1.59 -0.54 0.00 0.00 175.26 172.91 3ias s LYS 142 N 2.96 3.60 -0.30 4.30 -2.85 -1.26 -5.09 119.74 121.11 3ias s LYS 142 Ca 0.26 -0.13 0.01 0.00 -1.00 0.00 0.00 55.97 55.12 3ias s LYS 142 Cb -0.13 -2.81 0.19 0.00 -2.06 0.00 0.00 37.83 33.02 3ias s LYS 142 CO 0.19 0.40 0.63 0.71 0.10 0.00 0.00 175.35 177.38 3ias s TYR 143 N -1.79 -1.64 0.00 1.78 4.12 -1.26 -5.27 117.35 113.29 3ias s TYR 143 Ca 0.41 1.34 0.00 0.00 0.02 0.00 0.00 57.07 58.84 3ias s TYR 143 Cb -0.12 0.42 0.00 0.00 -1.52 0.00 0.00 41.96 40.75 3ias s TYR 143 CO 0.26 -0.93 0.00 0.39 0.02 0.00 0.00 175.55 175.30 3ias n GLU 150 N 5.42 0.00 -1.50 -0.62 4.71 -1.26 -5.27 120.64 122.11 3ias n GLU 150 Ca 0.02 0.00 -0.51 0.00 -0.01 0.00 0.00 57.16 56.66 3ias n GLU 150 Cb 0.53 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.89 3ias n GLU 150 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3ias n LEU 151 N 0.00 2.34 -4.74 -4.62 4.77 -1.26 -4.90 117.00 108.59 3ias n LEU 151 Ca 0.00 0.52 -0.36 0.00 -0.03 0.00 0.00 56.01 56.14 3ias n LEU 151 Cb 0.00 -1.27 0.06 0.00 -2.33 0.00 0.00 43.42 39.88 3ias n LEU 151 CO 0.00 -0.63 0.85 -2.16 -1.33 0.00 0.00 177.39 174.12 3ias s PRO 152 N 5.76 2.57 -0.24 3.23 0.04 -1.26 -5.00 135.00 140.10 3ias s PRO 152 Ca 1.06 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 63.96 3ias s PRO 152 Cb -0.84 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 31.85 3ias s PRO 152 CO 0.50 -1.53 -0.05 0.08 0.04 0.00 0.00 177.00 176.04 3ias s VAL 153 N -1.66 2.98 0.17 -0.36 1.01 -1.26 -4.98 120.40 116.31 3ias s VAL 153 Ca 0.78 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3ias s VAL 153 Cb -0.32 -2.48 -0.15 0.00 0.00 0.00 0.00 36.38 33.42 3ias s VAL 153 CO 0.39 0.24 1.38 1.88 0.00 0.00 0.00 175.10 178.99 3ias h TYR 154 N 8.04 0.19 -3.00 5.22 0.05 -2.05 -3.45 116.97 121.97 3ias h TYR 154 Ca -0.34 -0.11 -0.20 0.00 0.05 0.00 0.00 58.73 58.12 3ias h TYR 154 Cb 1.12 -0.02 -0.31 0.00 1.01 0.00 0.00 36.73 38.53 3ias h TYR 154 CO 0.58 0.94 -0.50 -0.08 -1.05 0.00 0.00 178.16 178.05 3ias s THR 155 N -3.12 -0.12 -0.13 -2.88 -1.32 -1.26 -5.03 115.64 101.78 3ias s THR 155 Ca -0.02 0.18 0.10 0.00 -1.21 0.00 0.00 61.69 60.75 3ias s THR 155 Cb 0.10 -0.39 -0.23 0.00 -1.51 0.00 0.00 72.50 70.47 3ias s THR 155 CO 0.82 0.08 0.34 0.54 -2.21 0.00 0.00 174.62 174.18 3ias n ARG 156 N 4.49 0.67 -2.46 7.08 5.12 -1.26 -4.86 116.66 125.44 3ias n ARG 156 Ca -0.21 0.18 -0.42 0.00 -1.93 0.00 0.00 57.85 55.48 3ias n ARG 156 Cb 0.52 -1.67 -0.03 0.00 -1.16 0.00 0.00 32.46 30.13 3ias n ARG 156 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3ias s PHE 157 N -2.55 2.41 -0.46 -1.55 5.36 -1.26 -4.92 117.98 115.01 3ias s PHE 157 Ca -0.12 0.45 0.04 0.00 -0.96 0.00 0.00 56.93 56.33 3ias s PHE 157 Cb 0.07 -4.44 0.52 0.00 -0.34 0.00 0.00 43.02 38.84 3ias s PHE 157 CO 0.79 -1.84 1.73 -0.85 -1.46 0.00 0.00 175.22 173.60 3ias n GLU 158 N 8.56 2.50 -4.02 10.12 0.28 -1.26 -5.00 120.64 131.83 3ias n GLU 158 Ca 0.11 -3.33 -0.27 0.00 -0.16 0.00 0.00 57.16 53.51 3ias n GLU 158 Cb 0.49 -2.14 -0.02 0.00 1.43 0.00 0.00 31.44 31.20 3ias n GLU 158 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3ias s PHE 159 N -3.51 1.79 0.02 -1.84 0.40 -1.26 -5.07 117.98 108.51 3ias s PHE 159 Ca 0.56 -0.82 -0.30 0.00 -0.60 0.00 0.00 56.93 55.76 3ias s PHE 159 Cb 0.46 -1.89 -0.06 0.00 0.51 0.00 0.00 43.02 42.04 3ias s PHE 159 CO 0.03 -0.30 1.45 0.99 0.70 0.00 0.00 175.22 178.09 3ias s THR 160 N -2.76 3.56 0.93 0.64 2.01 -1.26 -4.99 115.64 113.77 3ias s THR 160 Ca 0.31 0.97 -0.12 0.00 0.31 0.00 0.00 61.69 63.16 3ias s THR 160 Cb -0.01 -3.62 0.15 0.00 0.01 0.00 0.00 72.50 69.02 3ias s THR 160 CO 0.19 -0.00 1.09 -0.13 -0.69 0.00 0.00 174.62 175.08 3ias s ARG 161 N 2.42 1.01 -0.26 4.92 0.52 -1.26 -4.95 118.95 121.35 3ias s ARG 161 Ca 0.66 0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 56.36 3ias s ARG 161 Cb -0.33 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.36 3ias s ARG 161 CO 0.28 -2.40 1.17 0.50 0.02 0.00 0.00 175.30 174.87 3ias s ARG 162 N -4.91 4.10 -0.15 3.54 3.52 -1.25 -5.01 118.95 118.78 3ias s ARG 162 Ca 0.64 1.31 -0.02 0.00 -0.13 0.00 0.00 55.73 57.52 3ias s ARG 162 Cb -0.18 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.42 3ias s ARG 162 CO 0.57 -0.87 -0.07 -1.01 -0.81 0.00 0.00 175.30 173.11 3ias s HIS 163 N 3.73 2.95 0.00 5.12 3.76 -1.26 -4.93 115.29 124.66 3ias s HIS 163 Ca 0.50 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 3ias s HIS 163 Cb -0.16 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3ias s HIS 163 CO 0.16 -0.10 0.00 1.33 -0.85 0.00 0.00 174.74 175.27 3ias n VAL 164 N 3.53 0.00 -1.53 -0.90 0.24 -1.26 -5.11 118.33 113.30 3ias n VAL 164 Ca -0.18 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.78 3ias n VAL 164 Cb 0.53 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.98 3ias n VAL 164 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ias s ASP 165 N 1.13 4.39 -0.11 -1.34 2.15 -1.26 -4.90 116.67 116.73 3ias s ASP 165 Ca 0.00 2.34 -0.25 0.00 0.43 0.00 0.00 52.55 55.07 3ias s ASP 165 Cb 0.00 -2.59 0.06 0.00 -0.30 0.00 0.00 42.92 40.09 3ias s ASP 165 CO 0.00 -2.13 0.61 -0.75 -0.17 0.00 0.00 175.17 172.73 3ias s LYS 166 N -3.84 0.89 -1.30 4.34 2.20 -1.26 -3.33 119.74 117.43 3ias s LYS 166 Ca 0.74 0.41 -0.23 0.00 -0.36 0.00 0.00 55.97 56.53 3ias s LYS 166 Cb -0.29 0.42 0.03 0.00 -1.51 0.00 0.00 37.83 36.48 3ias s LYS 166 CO 0.43 -0.22 0.51 -2.39 -0.36 0.00 0.00 175.35 173.32 3ias n HIS 167 N 1.61 -1.41 -4.02 4.03 1.44 -1.23 -4.95 115.22 110.67 3ias n HIS 167 Ca -0.18 0.27 -0.31 0.00 -2.01 0.00 0.00 57.72 55.49 3ias n HIS 167 Cb 0.56 -2.90 -0.15 0.00 0.12 0.00 0.00 29.99 27.62 3ias n HIS 167 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3ias s HIS 168 N -3.76 3.30 0.10 -1.40 5.04 -0.64 -4.93 115.29 113.01 3ias s HIS 168 Ca 0.34 -2.50 -0.31 0.00 -1.54 0.00 0.00 55.06 51.05 3ias s HIS 168 Cb -0.18 -2.26 -0.09 0.00 0.04 0.00 0.00 32.58 30.09 3ias s HIS 168 CO 0.97 -0.89 1.65 -1.25 -2.34 0.00 0.00 174.74 172.87 3ias s PRO 169 N 1.08 4.19 0.07 2.88 0.04 -1.26 -2.38 135.00 139.62 3ias s PRO 169 Ca -0.00 2.37 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 3ias s PRO 169 Cb -0.19 -3.48 -0.27 0.00 0.04 0.00 0.00 34.50 30.60 3ias s PRO 169 CO -0.07 -0.71 1.11 -0.07 0.04 0.00 0.00 177.00 177.30 3ias h LEU 170 N 8.09 0.32 0.00 -3.56 3.38 -1.42 -3.47 115.31 118.66 3ias h LEU 170 Ca -0.43 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.08 3ias h LEU 170 Cb 1.20 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3ias h LEU 170 CO 0.93 1.29 -0.09 -1.54 0.09 0.00 0.00 178.44 179.12 3ias n SER 171 N -3.47 -0.25 0.00 -0.43 3.41 -1.16 -4.55 113.62 107.17 3ias n SER 171 Ca -0.08 -1.52 0.09 0.00 -0.26 0.00 0.00 58.87 57.09 3ias n SER 171 Cb 1.01 0.51 0.41 0.00 -0.26 0.00 0.00 64.21 65.88 3ias n SER 171 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3ias n PRO 172 N -0.15 0.11 -0.01 4.33 -0.04 -1.26 -3.88 135.00 134.09 3ias n PRO 172 Ca 0.01 0.16 0.02 0.00 -0.04 0.00 0.00 63.50 63.65 3ias n PRO 172 Cb 0.15 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 3ias n PRO 172 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ias n PHE 173 N -1.41 0.00 -4.79 0.54 0.99 -1.26 -4.57 117.46 106.97 3ias n PHE 173 Ca 0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.21 3ias n PHE 173 Cb 0.18 -0.24 -0.17 0.00 -1.00 0.00 0.00 39.48 38.25 3ias n PHE 173 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3ias s VAL 174 N -2.47 1.77 -0.19 -4.37 1.01 -1.25 -1.17 120.40 113.74 3ias s VAL 174 Ca -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3ias s VAL 174 Cb 0.04 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3ias s VAL 174 CO 0.34 0.50 -0.06 -0.51 0.00 0.00 0.00 175.10 175.36 3ias s ILE 175 N 0.68 3.39 -0.20 2.22 2.07 -0.51 -1.00 121.20 127.85 3ias s ILE 175 Ca -0.12 -0.51 -0.08 0.00 -1.41 0.00 0.00 60.65 58.53 3ias s ILE 175 Cb -0.16 -2.51 -0.04 0.00 0.13 0.00 0.00 42.46 39.88 3ias s ILE 175 CO 0.03 0.46 0.09 -0.22 -1.91 0.00 0.00 174.94 173.39 3ias s LEU 176 N 1.05 3.89 -0.49 8.50 2.96 -1.00 -2.04 118.68 131.55 3ias s LEU 176 Ca 0.01 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3ias s LEU 176 Cb -0.15 -2.01 0.13 0.00 0.50 0.00 0.00 46.19 44.66 3ias s LEU 176 CO -0.00 0.13 0.27 -0.62 -1.32 0.00 0.00 176.35 174.80 3ias s ASP 177 N 0.65 5.05 0.23 3.68 -1.08 0.22 -1.61 116.67 123.81 3ias s ASP 177 Ca 0.05 -2.46 -0.06 0.00 -0.52 0.00 0.00 52.55 49.56 3ias s ASP 177 Cb -0.13 -1.78 0.34 0.00 -1.46 0.00 0.00 42.92 39.89 3ias s ASP 177 CO 0.01 -0.42 1.81 0.03 0.52 0.00 0.00 175.17 177.12 3ias h ARG 178 N 7.43 0.74 -0.80 4.34 3.08 -1.85 -2.96 114.38 124.35 3ias h ARG 178 Ca -0.07 -0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.10 3ias h ARG 178 Cb 0.99 -0.17 -0.11 0.00 0.08 0.00 0.00 29.97 30.77 3ias h ARG 178 CO 0.68 0.49 0.30 1.49 -1.07 0.00 0.00 179.97 181.85 3ias h GLU 179 N 0.76 0.38 0.24 0.04 4.81 -1.90 -2.86 114.58 116.04 3ias h GLU 179 Ca 0.36 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 3ias h GLU 179 Cb 0.30 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3ias h GLU 179 CO -0.23 0.25 -0.12 0.00 -0.73 0.00 0.00 179.01 178.19 3ias h ARG 180 N 0.39 -0.31 -1.89 1.92 3.08 -1.88 -3.41 114.38 112.28 3ias h ARG 180 Ca 0.46 0.02 -0.23 0.00 0.07 0.00 0.00 59.98 60.31 3ias h ARG 180 Cb 0.78 0.07 0.03 0.00 0.08 0.00 0.00 29.97 30.93 3ias h ARG 180 CO -0.47 -0.05 -0.10 0.00 -1.07 0.00 0.00 179.97 178.28 3ias n ILE 182 N 0.18 0.11 -3.02 0.00 -5.35 -1.26 -5.00 119.36 105.02 3ias n ILE 182 Ca 0.06 -0.56 -0.12 0.00 -0.27 0.00 0.00 62.75 61.86 3ias n ILE 182 Cb 0.06 1.13 0.04 0.00 -1.74 0.00 0.00 39.64 39.12 3ias n ILE 182 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3ias n HIS 183 N 0.54 -1.41 -1.49 4.28 8.25 -1.26 -5.02 115.22 119.10 3ias n HIS 183 Ca 0.06 0.49 -0.29 0.00 -0.26 0.00 0.00 57.72 57.73 3ias n HIS 183 Cb 0.26 -3.00 0.14 0.00 1.12 0.00 0.00 29.99 28.51 3ias n HIS 183 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ias n LYS 185 N -3.81 2.65 -0.35 0.00 4.81 -1.26 -4.77 118.16 115.42 3ias n LYS 185 Ca 0.06 -2.33 -0.12 0.00 -0.87 0.00 0.00 58.31 55.06 3ias n LYS 185 Cb 0.59 -1.44 -0.10 0.00 0.02 0.00 0.00 35.03 34.10 3ias n LYS 185 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ias h ARG 186 N 3.42 -0.09 0.71 1.64 3.08 -1.92 -0.45 114.38 120.77 3ias h ARG 186 Ca 0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3ias h ARG 186 Cb 0.87 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.95 3ias h ARG 186 CO 0.00 -0.06 -0.34 0.00 -1.07 0.00 0.00 179.97 178.50 3ias h VAL 188 N -1.08 1.02 -0.26 0.00 -1.51 -1.80 -1.61 116.25 111.01 3ias h VAL 188 Ca -0.10 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3ias h VAL 188 Cb 0.76 0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 3ias h VAL 188 CO 0.16 0.15 0.17 -0.09 -1.23 0.00 0.00 177.57 176.74 3ias h ARG 189 N 0.84 0.34 -0.31 5.19 2.43 -1.01 -2.56 114.38 119.32 3ias h ARG 189 Ca 0.33 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.55 3ias h ARG 189 Cb 0.16 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 3ias h ARG 189 CO -0.17 0.23 -0.10 -0.92 -1.51 0.00 0.00 179.97 177.50 3ias h TYR 190 N 0.35 -0.24 -0.31 2.20 3.20 -0.02 -2.38 116.97 119.78 3ias h TYR 190 Ca 0.10 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.06 3ias h TYR 190 Cb -0.04 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 3ias h TYR 190 CO -0.06 -0.17 -0.05 0.74 -1.64 0.00 0.00 178.16 176.99 3ias h PHE 191 N -0.04 -0.11 0.00 -3.82 0.04 -0.91 0.28 116.94 112.39 3ias h PHE 191 Ca 0.15 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 3ias h PHE 191 Cb 0.27 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 3ias h PHE 191 CO -0.31 -0.10 -0.20 1.05 -0.60 0.00 0.00 178.31 178.14 3ias h GLU 192 N 0.03 0.00 0.00 1.51 -0.00 -1.41 -0.06 114.58 114.66 3ias h GLU 192 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.51 3ias h GLU 192 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.97 3ias h GLU 192 CO -0.29 0.20 -0.28 0.39 -0.00 0.00 0.00 179.01 179.03 3ias n GLU 193 N -3.46 0.19 0.05 1.06 1.02 -0.46 -4.11 120.64 114.93 3ias n GLU 193 Ca -0.00 0.25 -0.02 0.00 -0.02 0.00 0.00 57.16 57.36 3ias n GLU 193 Cb 0.38 -1.02 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 3ias n GLU 193 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ias h VAL 194 N -0.40 0.00 -0.05 2.62 2.07 -0.68 -3.36 116.25 116.44 3ias h VAL 194 Ca 0.00 -0.08 -0.20 0.00 0.82 0.00 0.00 66.70 67.24 3ias h VAL 194 Cb 0.28 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3ias h VAL 194 CO 0.00 0.00 -0.81 1.55 0.02 0.00 0.00 177.57 178.33 3ias h PRO 195 N -0.22 0.43 0.00 1.57 0.13 -1.69 -3.44 132.00 128.78 3ias h PRO 195 Ca -0.01 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3ias h PRO 195 Cb 0.11 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.33 3ias h PRO 195 CO 0.02 1.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 3ias n GLY 196 N 0.72 0.79 2.88 1.56 0.00 -0.11 -5.01 105.19 106.02 3ias n GLY 196 Ca -0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 3ias n GLY 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ias s ASP 197 N -2.49 4.12 -0.90 1.61 1.01 -0.74 -4.91 116.67 114.37 3ias s ASP 197 Ca 0.00 -2.91 -0.25 0.00 0.71 0.00 0.00 52.55 50.10 3ias s ASP 197 Cb 0.00 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.42 3ias s ASP 197 CO 0.00 -0.24 1.93 -1.61 0.21 0.00 0.00 175.17 175.46 3ias s GLU 198 N -0.12 2.58 -0.28 8.23 2.02 -1.26 -4.62 118.70 125.24 3ias s GLU 198 Ca 0.17 -0.30 0.12 0.00 0.02 0.00 0.00 54.97 54.98 3ias s GLU 198 Cb -0.25 -5.06 0.47 0.00 0.10 0.00 0.00 34.13 29.39 3ias s GLU 198 CO -0.00 -3.35 1.17 1.33 0.02 0.00 0.00 175.26 174.43 3ias n VAL 199 N 7.85 2.16 0.00 2.63 0.24 -1.26 -4.97 118.33 124.97 3ias n VAL 199 Ca 0.40 -3.84 0.00 0.00 -2.04 0.00 0.00 64.34 58.86 3ias n VAL 199 Cb 0.47 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 3ias n VAL 199 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3ias n LEU 200 N -0.67 0.00 0.00 1.34 7.94 -1.26 -4.76 117.00 119.59 3ias n LEU 200 Ca 0.33 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 3ias n LEU 200 Cb 0.92 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.87 3ias n LEU 200 CO 0.30 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.91 3ias n ASP 201 N 0.00 0.00 -4.73 1.96 -0.08 -0.99 -4.72 116.55 107.98 3ias n ASP 201 Ca 0.00 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.92 3ias n ASP 201 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 3ias n ASP 201 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3ias s PHE 202 N -1.98 2.07 0.00 -0.67 0.08 -1.25 -2.40 117.98 113.82 3ias s PHE 202 Ca 0.00 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.56 3ias s PHE 202 Cb 0.00 -3.65 0.00 0.00 -0.57 0.00 0.00 43.02 38.80 3ias s PHE 202 CO 0.00 -2.85 0.00 -0.89 -0.10 0.00 0.00 175.22 171.38 3ias n ILE 203 N -2.08 0.00 0.00 0.64 2.08 0.94 -4.86 119.36 116.08 3ias n ILE 203 Ca 0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.46 3ias n ILE 203 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 3ias n ILE 203 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3ias n GLU 204 N 0.00 1.91 -4.39 0.38 1.02 -1.26 -4.83 120.64 113.47 3ias n GLU 204 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 3ias n GLU 204 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 3ias n GLU 204 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3ias s ARG 205 N 0.00 1.68 3.25 3.49 1.70 -1.26 -4.45 118.95 123.36 3ias s ARG 205 Ca 0.00 -1.97 0.00 0.00 -0.47 0.00 0.00 55.73 53.29 3ias s ARG 205 Cb 0.00 -0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.10 3ias s ARG 205 CO 0.00 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 3ias n GLY 206 N -0.67 0.12 0.00 3.88 0.00 -1.26 -2.62 105.19 104.65 3ias n GLY 206 Ca -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.10 3ias n GLY 206 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ias n VAL 207 N 0.00 1.85 0.69 1.61 0.24 -1.26 -2.42 118.33 119.04 3ias n VAL 207 Ca 0.00 0.46 0.11 0.00 -2.04 0.00 0.00 64.34 62.87 3ias n VAL 207 Cb 0.00 -1.43 -0.07 0.00 -1.47 0.00 0.00 33.84 30.87 3ias n VAL 207 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3ias n HIS 208 N -1.49 0.07 -0.91 6.34 8.25 -1.08 -4.99 115.22 121.41 3ias n HIS 208 Ca 0.00 0.02 -0.33 0.00 -0.26 0.00 0.00 57.72 57.15 3ias n HIS 208 Cb 0.02 -0.23 0.13 0.00 1.12 0.00 0.00 29.99 31.03 3ias n HIS 208 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3ias n THR 209 N -1.77 0.77 -3.81 1.59 -2.24 -1.01 -4.65 114.28 103.16 3ias n THR 209 Ca 0.02 -0.18 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 3ias n THR 209 Cb 0.41 -0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 67.76 3ias n THR 209 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3ias s PHE 210 N -2.31 -0.15 -0.04 4.78 -0.12 -1.26 -4.90 117.98 113.98 3ias s PHE 210 Ca 0.64 -0.23 -0.22 0.00 -0.05 0.00 0.00 56.93 57.08 3ias s PHE 210 Cb -0.26 0.68 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 3ias s PHE 210 CO 0.60 -1.03 0.64 0.42 -0.05 0.00 0.00 175.22 175.80 3ias s ILE 211 N -3.58 4.98 0.27 -4.49 -1.09 -1.26 -0.04 121.20 115.99 3ias s ILE 211 Ca 0.12 1.34 -0.09 0.00 -2.23 0.00 0.00 60.65 59.78 3ias s ILE 211 Cb -0.04 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 3ias s ILE 211 CO 0.05 0.33 0.44 -0.83 -1.23 0.00 0.00 174.94 173.70 3ias s GLY 212 N 0.32 0.87 0.17 6.18 0.00 -1.01 -4.94 107.32 108.91 3ias s GLY 212 Ca 0.34 -1.13 -0.10 0.00 0.00 0.00 0.00 44.72 43.83 3ias s GLY 212 CO 0.17 -0.80 0.31 -1.08 0.00 0.00 0.00 173.10 171.70 3ias s THR 213 N -3.75 0.06 0.00 0.90 -1.32 -1.26 -2.36 115.64 107.92 3ias s THR 213 Ca 0.26 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 3ias s THR 213 Cb 0.00 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.19 3ias s THR 213 CO 0.12 -0.29 0.05 0.23 -2.21 0.00 0.00 174.62 172.52 3ias n MET 214 N -0.22 0.44 -3.51 7.08 2.81 -1.26 -4.92 117.12 117.53 3ias n MET 214 Ca -0.08 -0.05 -0.41 0.00 -1.81 0.00 0.00 57.70 55.35 3ias n MET 214 Cb 0.63 -0.38 -0.05 0.00 -0.71 0.00 0.00 33.22 32.71 3ias n MET 214 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ias s ASP 215 N -0.08 6.20 0.23 7.83 1.11 -1.26 -5.00 116.67 125.69 3ias s ASP 215 Ca 0.00 -3.07 -0.08 0.00 0.18 0.00 0.00 52.55 49.58 3ias s ASP 215 Cb 0.00 -2.04 0.23 0.00 1.07 0.00 0.00 42.92 42.18 3ias s ASP 215 CO 0.00 -0.39 1.88 -0.26 1.18 0.00 0.00 175.17 177.58 3ias h PHE 216 N 7.05 1.01 0.00 4.23 -1.00 -1.92 -2.61 116.94 123.69 3ias h PHE 216 Ca 0.09 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.89 3ias h PHE 216 Cb 0.95 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 40.17 3ias h PHE 216 CO 0.84 0.59 0.00 0.41 -1.61 0.00 0.00 178.31 178.54 3ias n GLY 217 N -1.33 -0.96 3.22 -1.45 0.00 -1.26 -4.53 105.19 98.89 3ias n GLY 217 Ca 0.10 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3ias n GLY 217 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ias n LEU 218 N -1.41 -5.77 -0.02 0.99 7.99 -0.98 -4.73 117.00 113.07 3ias n LEU 218 Ca 0.05 -0.46 -0.00 0.00 -0.01 0.00 0.00 56.01 55.59 3ias n LEU 218 Cb 0.16 -3.12 -0.00 0.00 -0.11 0.00 0.00 43.42 40.35 3ias n LEU 218 CO 0.14 -0.42 0.50 -0.65 -1.51 0.00 0.00 177.39 175.45 3ias h PRO 219 N -0.41 -0.00 -6.14 3.23 0.11 -1.90 -3.46 132.00 123.43 3ias h PRO 219 Ca -0.34 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.15 3ias h PRO 219 Cb 1.18 0.00 0.15 0.00 0.11 0.00 0.00 31.00 32.43 3ias h PRO 219 CO 0.38 -0.00 -0.66 -1.13 -0.21 0.00 0.00 178.00 176.38 3ias n SER 220 N -3.08 -1.79 -0.64 -2.05 3.41 -1.26 -4.77 113.62 103.44 3ias n SER 220 Ca 0.00 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 3ias n SER 220 Cb 0.01 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 3ias n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ias n GLY 221 N 2.05 1.64 2.82 5.00 0.00 -1.26 -3.56 105.19 111.88 3ias n GLY 221 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 3ias n GLY 221 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ias n PHE 222 N 0.15 1.01 0.04 1.61 3.72 -1.26 -2.35 117.46 120.37 3ias n PHE 222 Ca 0.00 -2.13 -0.07 0.00 -0.05 0.00 0.00 57.45 55.20 3ias n PHE 222 Cb 0.32 -0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.64 3ias n PHE 222 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ias h SER 223 N 2.51 0.00 0.00 4.37 4.64 -1.89 -3.34 113.55 119.84 3ias h SER 223 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3ias h SER 223 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ias h SER 223 CO 0.16 0.99 0.27 1.23 -0.87 0.00 0.00 176.83 178.61 3ias h GLY 224 N 3.15 0.00 1.78 -0.77 0.00 -1.90 -2.37 103.07 102.96 3ias h GLY 224 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 3ias h GLY 224 CO 0.11 0.00 -0.55 3.43 0.00 0.00 0.00 176.54 179.54 3ias h ASN 225 N 0.00 0.26 -0.13 0.19 2.35 -1.80 -2.84 115.58 113.62 3ias h ASN 225 Ca 0.00 -0.14 0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3ias h ASN 225 Cb 0.53 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3ias h ASN 225 CO 0.00 0.75 0.11 0.16 -1.65 0.00 0.00 177.43 176.81 3ias h ILE 226 N 0.18 0.70 -0.09 2.81 3.07 -1.71 0.36 117.51 122.84 3ias h ILE 226 Ca 0.00 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.36 3ias h ILE 226 Cb 1.02 0.92 -0.01 0.00 -0.27 0.00 0.00 36.82 38.48 3ias h ILE 226 CO 0.08 0.00 -0.18 0.74 -1.05 0.00 0.00 178.15 177.74 3ias h THR 227 N 0.00 1.18 -0.00 0.16 2.02 -1.70 -1.83 112.91 112.75 3ias h THR 227 Ca 0.06 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3ias h THR 227 Cb 0.28 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3ias h THR 227 CO -0.00 0.25 -0.39 0.47 0.37 0.00 0.00 175.52 176.21 3ias n ASP 228 N -4.26 0.49 -0.11 4.18 8.00 0.12 -4.26 116.55 120.71 3ias n ASP 228 Ca -0.01 -0.24 -0.19 0.00 0.71 0.00 0.00 54.79 55.06 3ias n ASP 228 Cb 0.28 0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.42 3ias n ASP 228 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3ias n ILE 229 N -1.39 1.27 -1.43 0.53 5.41 -0.97 -4.96 119.36 117.84 3ias n ILE 229 Ca 0.07 -0.43 -0.57 0.00 1.00 0.00 0.00 62.75 62.82 3ias n ILE 229 Cb 0.33 -1.48 -0.09 0.00 -0.71 0.00 0.00 39.64 37.69 3ias n ILE 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ias h PRO 231 N 9.66 0.00 0.00 0.00 0.13 -1.91 -3.44 132.00 136.43 3ias h PRO 231 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3ias h PRO 231 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3ias h PRO 231 CO 1.04 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 180.14 3ias n VAL 232 N -3.89 0.00 -0.67 1.56 0.24 -1.26 -1.32 118.33 113.00 3ias n VAL 232 Ca 0.08 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.45 3ias n VAL 232 Cb 0.61 0.00 0.37 0.00 -1.47 0.00 0.00 33.84 33.35 3ias n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ias n GLY 233 N 3.45 2.77 0.25 7.63 0.00 -1.26 -4.45 105.19 113.59 3ias n GLY 233 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 3ias n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 234 N 3.94 -0.56 -2.07 4.61 0.00 -1.91 -3.41 119.26 119.86 3ias h ALA 234 Ca 0.00 -0.16 -0.67 0.00 0.00 0.00 0.00 54.91 54.08 3ias h ALA 234 Cb 1.72 0.22 -0.16 0.00 0.00 0.00 0.00 17.79 19.56 3ias h ALA 234 CO 0.38 -0.55 0.15 -0.51 0.00 0.00 0.00 179.25 178.72 3ias s LEU 235 N -9.23 4.71 0.05 0.00 1.43 -1.26 0.70 118.68 115.08 3ias s LEU 235 Ca -0.11 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 3ias s LEU 235 Cb 0.01 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3ias s LEU 235 CO 0.35 -0.92 -0.20 -0.76 0.23 0.00 0.00 176.35 175.06 3ias s LEU 236 N 2.88 2.19 -0.44 1.79 1.43 -0.87 -4.49 118.68 121.18 3ias s LEU 236 Ca 0.19 -0.54 -0.27 0.00 -1.03 0.00 0.00 54.13 52.48 3ias s LEU 236 Cb -0.17 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 3ias s LEU 236 CO 0.15 0.12 1.93 -0.62 0.23 0.00 0.00 176.35 178.16 3ias s ASP 237 N -1.29 5.45 0.39 2.29 -1.08 -1.26 -1.42 116.67 119.76 3ias s ASP 237 Ca 0.06 1.00 0.21 0.00 -0.52 0.00 0.00 52.55 53.30 3ias s ASP 237 Cb -0.09 -2.52 0.66 0.00 -1.46 0.00 0.00 42.92 39.51 3ias s ASP 237 CO 0.02 -2.11 1.71 0.25 0.52 0.00 0.00 175.17 175.56 3ias h LEU 238 N 15.51 0.00 -2.00 -1.34 5.85 -1.46 -2.76 115.31 129.11 3ias h LEU 238 Ca -0.30 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.45 3ias h LEU 238 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3ias h LEU 238 CO 1.11 0.31 0.09 0.00 -0.34 0.00 0.00 178.44 179.61 3ias h THR 239 N 0.00 0.94 -0.55 1.05 1.03 -1.81 -2.34 112.91 111.23 3ias h THR 239 Ca -0.00 -0.00 -0.40 0.00 -0.01 0.00 0.00 66.41 65.99 3ias h THR 239 Cb 0.93 0.93 -0.35 0.00 -1.07 0.00 0.00 68.15 68.59 3ias h THR 239 CO 0.04 0.00 -0.82 0.00 -0.01 0.00 0.00 175.52 174.73 3ias n ALA 240 N -2.56 4.36 -1.92 0.00 0.00 -1.05 -4.96 120.51 114.38 3ias n ALA 240 Ca 0.00 -3.51 -0.41 0.00 0.00 0.00 0.00 53.44 49.52 3ias n ALA 240 Cb 0.21 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 3ias n ALA 240 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ias s ARG 241 N -3.44 4.42 -1.09 0.00 3.52 -0.88 -4.04 118.95 117.43 3ias s ARG 241 Ca 0.45 2.05 -0.19 0.00 -0.13 0.00 0.00 55.73 57.91 3ias s ARG 241 Cb 0.39 -3.17 -0.00 0.00 -1.56 0.00 0.00 34.95 30.61 3ias s ARG 241 CO 0.00 -0.17 0.76 1.19 -0.81 0.00 0.00 175.30 176.27 3ias n PHE 242 N 1.99 -1.93 0.01 5.12 3.01 -1.26 -4.92 117.46 119.48 3ias n PHE 242 Ca 0.04 0.48 -0.01 0.00 1.01 0.00 0.00 57.45 58.96 3ias n PHE 242 Cb 0.43 -3.33 -0.00 0.00 -0.01 0.00 0.00 39.48 36.57 3ias n PHE 242 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3ias n ARG 243 N -3.98 0.08 -4.13 -1.08 5.12 -1.26 -5.10 116.66 106.31 3ias n ARG 243 Ca -0.11 0.03 -0.09 0.00 -1.93 0.00 0.00 57.85 55.76 3ias n ARG 243 Cb 0.59 -0.54 -0.10 0.00 -1.16 0.00 0.00 32.46 31.25 3ias n ARG 243 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ias s ALA 244 N -2.21 0.75 0.59 7.54 0.00 -1.26 -5.15 121.76 122.02 3ias s ALA 244 Ca -0.05 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 3ias s ALA 244 Cb 0.01 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3ias s ALA 244 CO 0.07 -0.43 1.04 1.03 0.00 0.00 0.00 175.76 177.47 3ias s ARG 245 N -3.99 3.42 0.59 0.00 1.81 -1.26 -4.96 118.95 114.57 3ias s ARG 245 Ca 0.17 1.06 0.35 0.00 -1.72 0.00 0.00 55.73 55.59 3ias s ARG 245 Cb 0.08 -2.05 1.87 0.00 -0.45 0.00 0.00 34.95 34.39 3ias s ARG 245 CO -0.03 -0.71 2.21 -0.91 -0.68 0.00 0.00 175.30 175.18 3ias h ASN 246 N 0.28 0.00 0.51 0.23 2.35 -1.90 -1.38 115.58 115.68 3ias h ASN 246 Ca -0.46 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.00 3ias h ASN 246 Cb 1.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 3ias h ASN 246 CO 0.59 0.04 -1.54 4.11 -1.65 0.00 0.00 177.43 178.97 3ias h TRP 247 N 0.00 0.28 0.00 1.19 0.09 -1.94 -3.31 115.95 112.26 3ias h TRP 247 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 58.89 58.78 3ias h TRP 247 Cb 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.39 3ias h TRP 247 CO 0.00 1.27 0.14 0.93 0.09 0.00 0.00 178.44 180.87 3ias h GLU 248 N 0.04 0.00 -7.09 0.12 5.08 -1.63 -3.43 114.58 107.67 3ias h GLU 248 Ca -0.24 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.68 3ias h GLU 248 Cb 1.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 3ias h GLU 248 CO 0.13 0.00 0.35 -1.64 -1.00 0.00 0.00 179.01 176.85 3ias s MET 249 N -3.84 4.14 -0.47 2.33 -1.94 -1.20 -4.87 119.30 113.45 3ias s MET 249 Ca -0.03 1.10 -0.14 0.00 -1.71 0.00 0.00 55.69 54.91 3ias s MET 249 Cb 0.08 -2.17 0.09 0.00 2.01 0.00 0.00 34.83 34.85 3ias s MET 249 CO 0.27 -0.10 0.38 -2.00 -0.01 0.00 0.00 175.02 173.56 3ias s GLU 250 N -3.37 2.87 0.17 2.03 2.12 -0.20 -4.90 118.70 117.42 3ias s GLU 250 Ca 0.62 -1.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 3ias s GLU 250 Cb -0.10 -4.08 -0.07 0.00 0.26 0.00 0.00 34.13 30.14 3ias s GLU 250 CO 0.17 -1.08 1.06 -1.21 -0.54 0.00 0.00 175.26 173.66 3ias s GLU 251 N 1.57 4.64 -0.35 4.30 2.02 -1.26 -1.77 118.70 127.85 3ias s GLU 251 Ca 0.04 1.65 -0.00 0.00 0.02 0.00 0.00 54.97 56.67 3ias s GLU 251 Cb -0.25 -3.30 0.12 0.00 0.10 0.00 0.00 34.13 30.80 3ias s GLU 251 CO 0.05 0.15 0.16 0.99 0.02 0.00 0.00 175.26 176.62 3ias s THR 252 N -0.30 0.68 0.18 3.63 2.01 -0.31 -4.93 115.64 116.60 3ias s THR 252 Ca 0.48 -1.64 -0.31 0.00 0.31 0.00 0.00 61.69 60.53 3ias s THR 252 Cb -0.28 -1.50 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 3ias s THR 252 CO 0.34 -0.81 1.41 -2.16 -0.69 0.00 0.00 174.62 172.71 3ias s PRO 253 N 1.27 4.31 0.00 4.92 0.04 -1.26 -1.78 135.00 142.49 3ias s PRO 253 Ca 0.13 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3ias s PRO 253 Cb -0.20 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.16 3ias s PRO 253 CO -0.15 -0.41 0.00 -2.37 0.04 0.00 0.00 177.00 174.11 3ias n THR 254 N 3.19 0.00 -4.68 1.26 5.66 -0.26 -4.23 114.28 115.21 3ias n THR 254 Ca 0.09 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.84 3ias n THR 254 Cb 0.41 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.03 3ias n THR 254 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3ias s THR 255 N -2.90 1.25 -0.01 1.09 2.01 -1.25 -1.77 115.64 114.06 3ias s THR 255 Ca 0.00 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 3ias s THR 255 Cb 0.00 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 3ias s THR 255 CO 0.00 0.37 1.27 0.00 -0.69 0.00 0.00 174.62 175.57 3ias n ALA 257 N 4.92 4.55 0.11 0.00 0.00 -1.26 -3.94 120.51 124.89 3ias n ALA 257 Ca 0.11 -3.58 -0.02 0.00 0.00 0.00 0.00 53.44 49.95 3ias n ALA 257 Cb 0.45 -0.40 0.03 0.00 0.00 0.00 0.00 19.45 19.53 3ias n ALA 257 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ias h LEU 258 N 1.70 0.00 -8.59 0.00 3.38 -1.97 -3.44 115.31 106.39 3ias h LEU 258 Ca 0.24 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.94 3ias h LEU 258 Cb 1.34 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.97 3ias h LEU 258 CO 0.50 0.73 -0.38 0.00 0.09 0.00 0.00 178.44 179.38 3ias h PRO 260 N 2.30 0.00 0.00 0.00 0.11 -1.80 -3.25 132.00 129.36 3ias h PRO 260 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ias h PRO 260 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ias h PRO 260 CO 0.42 0.07 0.00 1.33 -0.21 0.00 0.00 178.00 179.61 3ias n VAL 261 N -3.26 0.79 -4.07 3.15 0.24 -1.26 -1.97 118.33 111.94 3ias n VAL 261 Ca -0.01 0.15 -0.40 0.00 -2.04 0.00 0.00 64.34 62.04 3ias n VAL 261 Cb 0.27 -1.09 -0.00 0.00 -1.47 0.00 0.00 33.84 31.55 3ias n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ias n GLY 262 N 0.19 -0.67 3.49 7.63 0.00 -1.23 -4.72 105.19 109.88 3ias n GLY 262 Ca 0.02 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 3ias n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s GLY 264 N -2.28 2.01 0.33 0.00 0.00 -1.26 -2.33 107.32 103.78 3ias s GLY 264 Ca 0.63 -0.52 0.07 0.00 0.00 0.00 0.00 44.72 44.90 3ias s GLY 264 CO 0.64 1.03 -0.05 -0.26 0.00 0.00 0.00 173.10 174.46 3ias s ILE 265 N 1.73 1.86 -0.05 0.90 -4.36 -0.73 -0.36 121.20 120.19 3ias s ILE 265 Ca 0.21 -2.12 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 3ias s ILE 265 Cb -0.15 -2.66 -0.00 0.00 1.25 0.00 0.00 42.46 40.90 3ias s ILE 265 CO 0.09 -0.18 -0.18 -0.89 0.24 0.00 0.00 174.94 174.02 3ias s THR 266 N -2.85 1.53 -0.22 8.37 2.01 -0.66 -1.10 115.64 122.72 3ias s THR 266 Ca 0.32 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 3ias s THR 266 Cb 0.05 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 3ias s THR 266 CO 0.15 0.44 -0.03 0.00 -0.69 0.00 0.00 174.62 174.49 3ias s ALA 267 N 0.14 2.87 -0.15 7.40 0.00 -0.73 -1.95 121.76 129.35 3ias s ALA 267 Ca -0.07 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.55 3ias s ALA 267 Cb -0.13 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 3ias s ALA 267 CO 0.03 -0.39 0.59 -0.51 0.00 0.00 0.00 175.76 175.48 3ias s ASP 268 N 1.41 6.74 0.00 0.00 1.01 -0.52 -1.16 116.67 124.16 3ias s ASP 268 Ca 0.05 0.89 0.00 0.00 0.71 0.00 0.00 52.55 54.20 3ias s ASP 268 Cb -0.14 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 3ias s ASP 268 CO -0.02 -0.15 -0.01 0.42 0.21 0.00 0.00 175.17 175.62 3ias s THR 269 N 1.26 0.07 -0.06 -1.27 -4.23 -0.73 -2.01 115.64 108.67 3ias s THR 269 Ca 0.29 -0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.58 3ias s THR 269 Cb -0.16 -0.10 0.04 0.00 1.34 0.00 0.00 72.50 73.62 3ias s THR 269 CO 0.12 -0.08 0.11 -0.60 -0.54 0.00 0.00 174.62 173.63 3ias s ARG 270 N -0.29 -0.01 -1.32 3.99 3.52 -0.97 -1.03 118.95 122.84 3ias s ARG 270 Ca -0.03 0.45 -0.07 0.00 -0.13 0.00 0.00 55.73 55.95 3ias s ARG 270 Cb -0.02 -0.36 0.01 0.00 -1.56 0.00 0.00 34.95 33.02 3ias s ARG 270 CO -0.00 -0.29 1.13 0.43 -0.81 0.00 0.00 175.30 175.76 3ias n SER 271 N 5.13 -5.17 0.00 -2.12 7.64 -1.26 -3.17 113.62 114.67 3ias n SER 271 Ca -0.08 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.24 3ias n SER 271 Cb 0.50 -5.04 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 3ias n SER 271 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ias n GLY 272 N -1.77 0.62 3.40 0.23 0.00 -1.24 -4.99 105.19 101.44 3ias n GLY 272 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3ias n GLY 272 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ias s GLU 273 N -0.15 1.78 -0.37 1.61 -1.05 -1.19 -1.05 118.70 118.27 3ias s GLU 273 Ca 0.00 -1.14 -0.22 0.00 -0.15 0.00 0.00 54.97 53.46 3ias s GLU 273 Cb 0.00 -2.03 0.01 0.00 -0.44 0.00 0.00 34.13 31.67 3ias s GLU 273 CO 0.00 0.50 0.72 -1.17 0.95 0.00 0.00 175.26 176.26 3ias s LEU 274 N -1.58 4.21 -0.22 1.83 2.96 -1.26 -2.29 118.68 122.32 3ias s LEU 274 Ca 0.14 0.20 -0.21 0.00 -0.22 0.00 0.00 54.13 54.04 3ias s LEU 274 Cb -0.10 -2.91 -0.18 0.00 0.50 0.00 0.00 46.19 43.49 3ias s LEU 274 CO 0.05 -0.70 0.14 0.18 -1.32 0.00 0.00 176.35 174.70 3ias n LEU 275 N 6.29 1.87 -3.70 -0.68 7.99 -0.85 -4.88 117.00 123.04 3ias n LEU 275 Ca 0.01 0.41 -0.12 0.00 -0.01 0.00 0.00 56.01 56.30 3ias n LEU 275 Cb 0.48 -0.95 -0.07 0.00 -0.11 0.00 0.00 43.42 42.78 3ias n LEU 275 CO 0.52 0.31 0.11 -0.60 -1.51 0.00 0.00 177.39 176.22 3ias s ARG 276 N -2.38 0.88 0.03 3.23 3.52 -1.20 -4.29 118.95 118.74 3ias s ARG 276 Ca -0.30 -0.41 0.08 0.00 -0.13 0.00 0.00 55.73 54.96 3ias s ARG 276 Cb 0.07 0.39 -0.02 0.00 -1.56 0.00 0.00 34.95 33.82 3ias s ARG 276 CO 0.58 -0.29 -0.22 0.42 -0.81 0.00 0.00 175.30 174.97 3ias s ILE 277 N -2.48 1.78 0.16 4.11 -1.09 -1.26 -1.44 121.20 120.97 3ias s ILE 277 Ca -0.05 -1.19 -0.01 0.00 -2.23 0.00 0.00 60.65 57.17 3ias s ILE 277 Cb -0.01 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.31 3ias s ILE 277 CO -0.03 0.29 0.08 -0.13 -1.23 0.00 0.00 174.94 173.93 3ias s ARG 278 N -1.07 1.04 0.45 2.79 0.52 -0.82 -4.96 118.95 116.89 3ias s ARG 278 Ca 0.09 -1.51 -0.22 0.00 -0.52 0.00 0.00 55.73 53.56 3ias s ARG 278 Cb -0.09 0.23 -0.09 0.00 0.52 0.00 0.00 34.95 35.52 3ias s ARG 278 CO 0.01 -0.30 1.05 0.00 0.02 0.00 0.00 175.30 176.08 3ias s ALA 279 N -4.07 2.97 -0.10 2.13 0.00 -1.26 -1.65 121.76 119.78 3ias s ALA 279 Ca 0.30 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.93 3ias s ALA 279 Cb 0.07 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.94 3ias s ALA 279 CO 0.06 -0.28 -0.15 0.50 0.00 0.00 0.00 175.76 175.89 3ias s ARG 280 N -2.88 2.18 -0.06 0.00 3.52 0.52 -4.54 118.95 117.69 3ias s ARG 280 Ca 0.63 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 3ias s ARG 280 Cb -0.19 -1.83 -0.05 0.00 -1.56 0.00 0.00 34.95 31.31 3ias s ARG 280 CO 0.24 -0.04 1.65 -2.00 -0.81 0.00 0.00 175.30 174.33 3ias s GLU 281 N 0.91 4.17 -0.42 5.12 2.12 -1.26 -4.38 118.70 124.96 3ias s GLU 281 Ca -0.08 2.17 0.07 0.00 0.36 0.00 0.00 54.97 57.49 3ias s GLU 281 Cb -0.15 -3.98 0.25 0.00 0.26 0.00 0.00 34.13 30.51 3ias s GLU 281 CO -0.00 -0.85 0.64 1.55 -0.54 0.00 0.00 175.26 176.06 3ias n VAL 282 N 5.50 -0.47 0.11 3.70 3.14 -0.83 -5.03 118.33 124.45 3ias n VAL 282 Ca 0.17 -3.25 0.20 0.00 -2.96 0.00 0.00 64.34 58.50 3ias n VAL 282 Cb 0.43 -0.84 0.75 0.00 -1.06 0.00 0.00 33.84 33.12 3ias n VAL 282 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 3ias h PRO 283 N 3.96 0.00 -0.59 1.45 0.13 -1.70 -1.63 132.00 133.62 3ias h PRO 283 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3ias h PRO 283 Cb 0.93 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 3ias h PRO 283 CO 0.42 0.00 0.37 0.93 -0.23 0.00 0.00 178.00 179.49 3ias h GLU 284 N 0.00 0.78 0.00 0.86 4.39 -1.95 -3.43 114.58 115.23 3ias h GLU 284 Ca 0.18 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3ias h GLU 284 Cb 1.03 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3ias h GLU 284 CO -0.00 0.54 0.00 1.55 -1.16 0.00 0.00 179.01 179.94 3ias n VAL 285 N -4.66 0.00 -2.44 3.13 3.14 -0.61 -4.49 118.33 112.40 3ias n VAL 285 Ca 0.04 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.02 3ias n VAL 285 Cb 0.03 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.78 3ias n VAL 285 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3ias s ASN 286 N -0.78 7.11 0.00 6.55 4.22 -1.25 -4.97 114.94 125.83 3ias s ASN 286 Ca 0.00 2.29 0.00 0.00 -2.14 0.00 0.00 52.86 53.01 3ias s ASN 286 Cb 0.00 -2.62 0.00 0.00 1.28 0.00 0.00 41.25 39.91 3ias s ASN 286 CO 0.00 -0.25 0.04 -0.62 -2.04 0.00 0.00 177.10 174.23 3ias n GLU 287 N 0.94 0.00 -0.30 3.55 1.02 -1.26 -3.86 120.64 120.73 3ias n GLU 287 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 3ias n GLU 287 Cb 0.45 -0.39 0.04 0.00 -0.02 0.00 0.00 31.44 31.52 3ias n GLU 287 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3ias n ILE 288 N -0.33 0.54 -4.12 -3.67 -5.35 -1.26 -1.97 119.36 103.21 3ias n ILE 288 Ca 0.00 -0.64 -0.23 0.00 -0.27 0.00 0.00 62.75 61.61 3ias n ILE 288 Cb 0.00 0.37 -0.05 0.00 -1.74 0.00 0.00 39.64 38.22 3ias n ILE 288 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 3ias s TRP 289 N -0.80 3.10 -0.15 4.28 0.23 -1.26 -4.76 118.94 119.58 3ias s TRP 289 Ca 0.08 -0.09 -0.09 0.00 -2.03 0.00 0.00 56.10 53.97 3ias s TRP 289 Cb 0.07 -1.42 0.05 0.00 0.03 0.00 0.00 33.47 32.21 3ias s TRP 289 CO 0.01 0.53 0.36 0.42 0.96 0.00 0.00 176.95 179.22 3ias s ILE 290 N -2.04 -0.02 0.80 2.03 -1.09 -1.26 -4.87 121.20 114.74 3ias s ILE 290 Ca 0.32 0.09 -0.10 0.00 -2.23 0.00 0.00 60.65 58.73 3ias s ILE 290 Cb -0.08 -0.53 0.07 0.00 -1.58 0.00 0.00 42.46 40.34 3ias s ILE 290 CO 0.24 0.04 1.10 0.00 -1.23 0.00 0.00 174.94 175.09 3ias h ASP 292 N -1.27 0.82 -0.97 0.00 3.32 -1.83 -2.52 116.42 113.97 3ias h ASP 292 Ca -0.43 -0.06 0.09 0.00 0.02 0.00 0.00 57.03 56.65 3ias h ASP 292 Cb 1.24 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 3ias h ASP 292 CO 0.49 0.64 0.62 0.00 -1.72 0.00 0.00 179.24 179.27 3ias h ALA 293 N 1.21 1.52 -0.00 3.45 0.00 -1.92 0.90 119.26 124.41 3ias h ALA 293 Ca 0.24 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3ias h ALA 293 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3ias h ALA 293 CO -0.05 0.29 -0.57 0.78 0.00 0.00 0.00 179.25 179.70 3ias h GLY 294 N 1.03 0.02 0.02 0.00 0.00 -1.84 -2.62 103.07 99.67 3ias h GLY 294 Ca 0.45 -0.02 -0.26 0.00 0.00 0.00 0.00 47.33 47.50 3ias h GLY 294 CO -0.20 0.02 -2.26 -2.13 0.00 0.00 0.00 176.54 171.96 3ias n ARG 295 N -3.86 0.68 0.00 4.80 0.63 -0.39 -4.49 116.66 114.03 3ias n ARG 295 Ca -0.01 -0.06 0.06 0.00 -0.92 0.00 0.00 57.85 56.91 3ias n ARG 295 Cb 0.58 -1.53 -0.06 0.00 0.45 0.00 0.00 32.46 31.90 3ias n ARG 295 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3ias n PHE 296 N -2.61 0.00 -2.59 -0.14 3.72 0.30 -4.38 117.46 111.76 3ias n PHE 296 Ca -0.24 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.74 3ias n PHE 296 Cb 0.98 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.53 3ias n PHE 296 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ias n GLY 297 N 1.24 5.32 0.00 1.37 0.00 -0.99 -4.12 105.19 108.01 3ias n GLY 297 Ca 0.03 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.64 3ias n GLY 297 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ias n HIS 298 N 1.67 0.00 -0.26 1.61 1.44 -1.26 -4.80 115.22 113.62 3ias n HIS 298 Ca 0.40 -0.10 -0.03 0.00 -2.01 0.00 0.00 57.72 55.98 3ias n HIS 298 Cb 0.31 -0.01 0.14 0.00 0.12 0.00 0.00 29.99 30.55 3ias n HIS 298 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3ias h GLU 299 N 0.00 1.10 0.08 -1.40 4.39 -1.87 -3.27 114.58 113.61 3ias h GLU 299 Ca 0.00 -0.14 -0.26 0.00 0.34 0.00 0.00 59.36 59.29 3ias h GLU 299 Cb 0.80 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3ias h GLU 299 CO 0.00 0.83 -1.13 0.11 -1.16 0.00 0.00 179.01 177.66 3ias h TRP 300 N 1.10 0.67 0.01 4.33 5.08 -1.87 -3.35 115.95 121.92 3ias h TRP 300 Ca 0.27 -0.42 0.03 0.00 1.08 0.00 0.00 58.89 59.85 3ias h TRP 300 Cb 0.08 -0.05 -0.05 0.00 -3.00 0.00 0.00 29.16 26.14 3ias h TRP 300 CO 0.01 1.28 -0.31 0.00 -1.28 0.00 0.00 178.44 178.14 3ias h ALA 301 N 0.57 -0.45 -0.01 0.11 0.00 -1.91 -2.82 119.26 114.75 3ias h ALA 301 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ias h ALA 301 Cb 1.81 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.14 3ias h ALA 301 CO 0.20 -0.82 -0.08 -0.40 0.00 0.00 0.00 179.25 178.14 3ias n ASP 302 N -5.41 0.84 0.00 0.00 5.68 -1.26 -4.78 116.55 111.62 3ias n ASP 302 Ca -0.05 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 3ias n ASP 302 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3ias n ASP 302 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 3ias n GLN 303 N -0.53 0.00 -2.24 0.11 -0.06 -1.06 -4.90 117.38 108.69 3ias n GLN 303 Ca 0.17 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.75 3ias n GLN 303 Cb 0.29 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.44 3ias n GLN 303 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 3ias s ASN 304 N -1.00 6.90 -0.10 1.69 0.01 -1.26 -4.99 114.94 116.19 3ias s ASN 304 Ca 0.00 2.24 -0.30 0.00 -0.71 0.00 0.00 52.86 54.09 3ias s ASN 304 Cb 0.00 -2.58 0.08 0.00 0.41 0.00 0.00 41.25 39.16 3ias s ASN 304 CO 0.00 -0.60 0.75 -0.60 -1.51 0.00 0.00 177.10 175.15 3ias s ARG 305 N 1.06 0.93 -0.28 -0.60 3.52 -1.26 -4.90 118.95 117.43 3ias s ARG 305 Ca 0.63 0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 56.25 3ias s ARG 305 Cb -0.35 0.44 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 3ias s ARG 305 CO 0.30 -0.27 1.13 -1.17 -0.81 0.00 0.00 175.30 174.48 3ias s LEU 306 N -0.99 3.99 0.00 -0.88 2.96 -0.53 -4.93 118.68 118.30 3ias s LEU 306 Ca -0.08 1.23 0.10 0.00 -0.22 0.00 0.00 54.13 55.16 3ias s LEU 306 Cb -0.01 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.04 3ias s LEU 306 CO 0.07 -0.86 0.46 0.29 -1.32 0.00 0.00 176.35 174.99 3ias n LYS 307 N 6.80 3.46 -3.79 1.98 5.02 -1.26 -4.68 118.16 125.68 3ias n LYS 307 Ca 0.13 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 3ias n LYS 307 Cb 0.46 -1.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.33 3ias n LYS 307 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ias s THR 308 N -1.95 -0.03 0.32 -0.18 -4.23 -1.26 -1.23 115.64 107.07 3ias s THR 308 Ca 0.04 0.13 -0.28 0.00 -1.18 0.00 0.00 61.69 60.40 3ias s THR 308 Cb 0.08 -0.14 -0.13 0.00 1.34 0.00 0.00 72.50 73.65 3ias s THR 308 CO 0.42 0.05 1.26 -0.81 -0.54 0.00 0.00 174.62 175.00 3ias n PRO 309 N 3.79 2.00 -4.63 3.99 -0.04 -1.26 -4.74 135.00 134.10 3ias n PRO 309 Ca -0.22 0.70 -0.32 0.00 -0.04 0.00 0.00 63.50 63.62 3ias n PRO 309 Cb 0.54 -2.26 -0.12 0.00 -0.04 0.00 0.00 33.50 31.62 3ias n PRO 309 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ias s LEU 310 N -0.65 2.88 0.03 1.53 1.43 0.15 -1.19 118.68 122.86 3ias s LEU 310 Ca 0.58 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3ias s LEU 310 Cb -0.60 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 3ias s LEU 310 CO 0.60 0.29 -0.07 0.54 0.23 0.00 0.00 176.35 177.94 3ias s VAL 311 N -0.91 0.47 -0.07 -1.59 0.11 -0.93 -1.11 120.40 116.37 3ias s VAL 311 Ca 0.15 -0.96 -0.29 0.00 -2.93 0.00 0.00 61.98 57.95 3ias s VAL 311 Cb -0.11 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 3ias s VAL 311 CO 0.05 -0.35 0.96 -0.60 -3.33 0.00 0.00 175.10 171.83 3ias s ARG 312 N -1.41 4.47 0.00 1.54 3.52 -1.04 -1.69 118.95 124.34 3ias s ARG 312 Ca -0.10 1.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 3ias s ARG 312 Cb -0.09 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 3ias s ARG 312 CO 0.00 -0.18 0.00 1.17 -0.81 0.00 0.00 175.30 175.48 3ias n LYS 313 N 4.49 0.00 -3.23 5.12 3.00 -0.72 -4.90 118.16 121.92 3ias n LYS 313 Ca 0.06 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.98 3ias n LYS 313 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.51 3ias n LYS 313 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3ias n GLU 314 N -0.94 3.69 -1.55 1.64 -0.58 -1.26 -4.74 120.64 116.89 3ias n GLU 314 Ca 0.00 -4.56 -0.16 0.00 -0.42 0.00 0.00 57.16 52.02 3ias n GLU 314 Cb 0.00 -2.45 -0.07 0.00 -0.57 0.00 0.00 31.44 28.35 3ias n GLU 314 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ias n GLY 315 N 1.57 1.40 3.25 0.62 0.00 -1.26 -4.91 105.19 105.85 3ias n GLY 315 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 3ias n GLY 315 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ias s ARG 316 N -3.53 0.77 0.11 1.61 1.70 -1.26 -5.08 118.95 113.27 3ias s ARG 316 Ca 0.00 -0.39 -0.18 0.00 -0.47 0.00 0.00 55.73 54.69 3ias s ARG 316 Cb 0.00 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.64 3ias s ARG 316 CO 0.00 -0.24 0.59 -0.51 -1.08 0.00 0.00 175.30 174.06 3ias s LEU 317 N -1.80 4.46 0.02 -1.89 2.01 -1.26 -1.76 118.68 118.46 3ias s LEU 317 Ca -0.08 1.25 0.01 0.00 0.01 0.00 0.00 54.13 55.31 3ias s LEU 317 Cb -0.02 -3.09 -0.02 0.00 0.01 0.00 0.00 46.19 43.07 3ias s LEU 317 CO -0.01 0.20 -0.04 -0.69 1.01 0.00 0.00 176.35 176.83 3ias s VAL 318 N -1.25 0.22 0.39 -1.59 1.01 -0.68 -4.94 120.40 113.55 3ias s VAL 318 Ca 0.33 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 3ias s VAL 318 Cb -0.18 -0.31 -0.12 0.00 0.00 0.00 0.00 36.38 35.76 3ias s VAL 318 CO 0.20 -0.36 0.78 -0.62 0.00 0.00 0.00 175.10 175.10 3ias n GLU 319 N 1.87 0.93 -3.66 2.72 1.02 -1.26 -2.19 120.64 120.06 3ias n GLU 319 Ca -0.21 0.33 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 3ias n GLU 319 Cb 0.56 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 30.17 3ias n GLU 319 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ias s ALA 320 N -1.32 -1.28 0.71 0.62 0.00 -0.34 -4.82 121.76 115.34 3ias s ALA 320 Ca 0.63 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 53.54 3ias s ALA 320 Cb -0.62 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.21 3ias s ALA 320 CO 0.58 -0.29 1.11 0.99 0.00 0.00 0.00 175.76 178.14 3ias s THR 321 N -0.65 3.22 0.52 0.00 2.01 -1.26 -4.05 115.64 115.43 3ias s THR 321 Ca -0.07 0.49 0.18 0.00 0.31 0.00 0.00 61.69 62.60 3ias s THR 321 Cb -0.03 -2.99 0.30 0.00 0.01 0.00 0.00 72.50 69.80 3ias s THR 321 CO 0.05 -0.43 2.11 -0.50 -0.69 0.00 0.00 174.62 175.16 3ias h TRP 322 N -0.51 0.00 0.70 4.92 4.06 -1.96 0.14 115.95 123.30 3ias h TRP 322 Ca -0.45 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.46 3ias h TRP 322 Cb 1.24 -0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.41 3ias h TRP 322 CO 0.56 0.00 -0.35 0.93 -3.56 0.00 0.00 178.44 176.02 3ias h GLU 323 N 0.00 -0.92 -0.25 0.49 4.39 -2.00 -1.05 114.58 115.25 3ias h GLU 323 Ca 0.07 0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.88 3ias h GLU 323 Cb 0.26 0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 3ias h GLU 323 CO -0.00 -0.61 -0.07 0.93 -1.16 0.00 0.00 179.01 178.10 3ias h GLU 324 N -0.95 -0.00 -0.36 2.33 5.08 -1.64 -2.79 114.58 116.25 3ias h GLU 324 Ca -0.09 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3ias h GLU 324 Cb 0.74 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 3ias h GLU 324 CO 0.15 -0.00 0.07 0.00 -1.00 0.00 0.00 179.01 178.23 3ias h ALA 325 N 1.25 0.38 -0.84 3.43 0.00 -0.73 -1.67 119.26 121.08 3ias h ALA 325 Ca 0.12 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3ias h ALA 325 Cb 0.19 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3ias h ALA 325 CO -0.26 -0.33 0.54 0.35 0.00 0.00 0.00 179.25 179.55 3ias h PHE 326 N 0.19 0.90 -0.07 0.00 3.57 -0.93 0.48 116.94 121.08 3ias h PHE 326 Ca 0.17 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3ias h PHE 326 Cb 0.19 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3ias h PHE 326 CO -0.19 0.44 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.18 3ias h LEU 327 N 0.86 0.20 -2.12 0.59 3.38 -1.18 -1.09 115.31 115.94 3ias h LEU 327 Ca 0.37 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ias h LEU 327 Cb 0.33 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3ias h LEU 327 CO -0.14 0.67 -0.04 0.00 0.09 0.00 0.00 178.44 179.01 3ias h ALA 328 N 0.54 1.72 -0.02 1.53 0.00 -0.68 -1.21 119.26 121.13 3ias h ALA 328 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ias h ALA 328 Cb 0.62 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ias h ALA 328 CO 0.02 0.05 -0.01 1.25 0.00 0.00 0.00 179.25 180.56 3ias h LEU 329 N 0.00 0.05 -0.98 0.00 5.85 0.07 -2.97 115.31 117.33 3ias h LEU 329 Ca -0.00 -0.41 0.17 0.00 0.84 0.00 0.00 57.88 58.48 3ias h LEU 329 Cb 0.08 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 3ias h LEU 329 CO 0.00 0.45 0.59 0.11 -0.34 0.00 0.00 178.44 179.25 3ias h LYS 330 N -0.35 0.76 0.17 1.25 1.57 -0.27 -3.05 116.57 116.64 3ias h LYS 330 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3ias h LYS 330 Cb 0.43 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3ias h LYS 330 CO 0.00 0.50 -0.08 1.49 -0.57 0.00 0.00 179.45 180.80 3ias h GLU 331 N 0.78 -0.22 0.00 3.15 4.57 -1.18 0.36 114.58 122.05 3ias h GLU 331 Ca 0.55 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.74 3ias h GLU 331 Cb 0.80 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 3ias h GLU 331 CO -0.36 0.02 0.00 0.41 -1.18 0.00 0.00 179.01 177.90 3ias n GLY 332 N -0.61 -0.55 0.00 1.92 0.00 -1.13 -2.94 105.19 101.87 3ias n GLY 332 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3ias n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ias n LEU 333 N -1.29 0.44 0.07 0.99 4.77 -1.00 -4.71 117.00 116.26 3ias n LEU 333 Ca 0.04 -0.60 -0.11 0.00 -0.03 0.00 0.00 56.01 55.30 3ias n LEU 333 Cb 0.06 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3ias n LEU 333 CO 0.06 0.11 0.78 0.50 -1.33 0.00 0.00 177.39 177.51 3ias h LYS 334 N 0.00 -0.23 -4.86 3.23 3.64 -0.81 -3.14 116.57 114.39 3ias h LYS 334 Ca 0.00 0.02 -0.72 0.00 -1.27 0.00 0.00 60.65 58.68 3ias h LYS 334 Cb 0.07 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 31.82 3ias h LYS 334 CO 0.00 -0.16 2.02 0.39 -2.27 0.00 0.00 179.45 179.43 3ias n GLU 335 N -5.26 3.27 -3.66 1.90 1.02 -1.26 -4.90 120.64 111.75 3ias n GLU 335 Ca -0.06 -3.42 -0.08 0.00 -0.02 0.00 0.00 57.16 53.58 3ias n GLU 335 Cb 0.18 -3.22 -0.08 0.00 -0.02 0.00 0.00 31.44 28.29 3ias n GLU 335 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ias s ALA 336 N 2.57 -1.53 -0.10 0.62 0.00 -1.19 -5.08 121.76 117.05 3ias s ALA 336 Ca 0.47 2.04 -0.22 0.00 0.00 0.00 0.00 51.96 54.25 3ias s ALA 336 Cb 0.04 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3ias s ALA 336 CO 0.02 -0.36 0.65 -0.98 0.00 0.00 0.00 175.76 175.08 3ias s ARG 337 N 1.61 4.38 0.00 0.00 3.03 -1.26 -4.96 118.95 121.76 3ias s ARG 337 Ca -0.09 0.75 0.00 0.00 2.03 0.00 0.00 55.73 58.42 3ias s ARG 337 Cb -0.07 -3.47 0.00 0.00 -1.03 0.00 0.00 34.95 30.38 3ias s ARG 337 CO -0.17 0.03 0.24 0.41 -1.13 0.00 0.00 175.30 174.68 3ias n GLY 338 N 3.25 0.00 0.01 3.88 0.00 -1.26 -1.09 105.19 109.98 3ias n GLY 338 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3ias n GLY 338 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ias n GLU 339 N -0.70 0.55 -0.01 1.61 0.00 -1.22 -3.78 120.64 117.09 3ias n GLU 339 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 57.16 57.14 3ias n GLU 339 Cb 0.00 -1.42 0.64 0.00 0.00 0.00 0.00 31.44 30.67 3ias n GLU 339 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ias n GLU 340 N -2.12 1.37 -2.52 5.31 -0.58 -0.25 -4.43 120.64 117.42 3ias n GLU 340 Ca -0.04 -0.54 -0.41 0.00 -0.42 0.00 0.00 57.16 55.76 3ias n GLU 340 Cb 0.47 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.85 3ias n GLU 340 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ias s VAL 341 N -1.97 3.85 -0.10 2.62 1.01 -1.25 -1.90 120.40 122.66 3ias s VAL 341 Ca 0.39 1.62 0.04 0.00 0.00 0.00 0.00 61.98 64.02 3ias s VAL 341 Cb 0.20 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3ias s VAL 341 CO 0.32 0.29 -0.23 -0.83 0.00 0.00 0.00 175.10 174.64 3ias s GLY 342 N -0.17 1.32 -0.16 4.51 0.00 0.28 -4.58 107.32 108.51 3ias s GLY 342 Ca 0.49 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 44.25 3ias s GLY 342 CO 0.35 -0.28 -0.19 1.08 0.00 0.00 0.00 173.10 174.07 3ias s LEU 343 N 0.41 2.24 -0.25 0.66 1.43 -1.01 0.62 118.68 122.78 3ias s LEU 343 Ca -0.17 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 3ias s LEU 343 Cb -0.18 -1.50 0.08 0.00 0.03 0.00 0.00 46.19 44.62 3ias s LEU 343 CO 0.07 0.04 0.06 -0.31 0.23 0.00 0.00 176.35 176.45 3ias s TYR 344 N 1.04 1.32 0.75 0.29 4.12 -0.00 -0.96 117.35 123.90 3ias s TYR 344 Ca -0.01 -1.25 -0.09 0.00 0.02 0.00 0.00 57.07 55.74 3ias s TYR 344 Cb -0.14 -1.31 0.07 0.00 -1.52 0.00 0.00 41.96 39.05 3ias s TYR 344 CO -0.06 -0.74 1.08 -0.51 0.02 0.00 0.00 175.55 175.35 3ias s LEU 345 N 1.75 2.70 0.45 -1.29 1.43 -0.74 -0.31 118.68 122.67 3ias s LEU 345 Ca 0.03 0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 53.68 3ias s LEU 345 Cb -0.17 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 3ias s LEU 345 CO -0.16 -1.71 0.78 0.00 0.23 0.00 0.00 176.35 175.49 3ias s ALA 346 N -3.38 3.38 0.55 4.21 0.00 -1.26 -0.51 121.76 124.74 3ias s ALA 346 Ca 0.61 -0.36 0.27 0.00 0.00 0.00 0.00 51.96 52.47 3ias s ALA 346 Cb -0.11 -2.64 1.45 0.00 0.00 0.00 0.00 23.12 21.82 3ias s ALA 346 CO 0.47 -0.20 1.97 1.12 0.00 0.00 0.00 175.76 179.12 3ias h HIS 347 N 0.69 0.00 -1.10 0.00 2.07 -1.90 -1.40 115.15 113.51 3ias h HIS 347 Ca -0.47 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.41 3ias h HIS 347 Cb 1.20 0.00 -0.34 0.00 2.57 0.00 0.00 27.41 30.83 3ias h HIS 347 CO 0.60 0.00 0.22 -0.40 -3.07 0.00 0.00 177.93 175.28 3ias n ASP 348 N -4.17 6.55 -4.74 3.10 5.68 -1.26 -1.07 116.55 120.64 3ias n ASP 348 Ca 0.10 -3.78 -0.41 0.00 -0.50 0.00 0.00 54.79 50.20 3ias n ASP 348 Cb 0.63 -0.74 -0.04 0.00 -1.14 0.00 0.00 41.12 39.83 3ias n ASP 348 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ias s ALA 349 N -3.76 3.32 1.18 2.12 0.00 -0.53 -4.94 121.76 119.15 3ias s ALA 349 Ca 0.57 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 3ias s ALA 349 Cb 0.46 -3.31 0.29 0.00 0.00 0.00 0.00 23.12 20.56 3ias s ALA 349 CO -0.06 -0.10 1.02 0.95 0.00 0.00 0.00 175.76 177.57 3ias s THR 350 N -0.25 2.00 0.32 0.00 -4.23 -1.26 -4.79 115.64 107.43 3ias s THR 350 Ca 0.48 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.06 3ias s THR 350 Cb -0.27 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.57 3ias s THR 350 CO 0.33 -0.00 1.75 0.25 -0.54 0.00 0.00 174.62 176.40 3ias h LEU 351 N -2.68 0.22 -0.02 4.79 5.85 -1.02 -2.37 115.31 120.08 3ias h LEU 351 Ca -0.63 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 57.99 3ias h LEU 351 Cb 1.34 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3ias h LEU 351 CO 0.51 0.57 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.79 3ias h GLU 352 N 0.19 0.08 -0.12 1.25 3.07 -1.91 -1.87 114.58 115.27 3ias h GLU 352 Ca 0.02 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.86 3ias h GLU 352 Cb 0.73 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 3ias h GLU 352 CO 0.06 0.67 0.14 0.93 -1.40 0.00 0.00 179.01 179.40 3ias h GLU 353 N -0.49 0.00 0.16 2.33 5.08 -1.89 0.70 114.58 120.47 3ias h GLU 353 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3ias h GLU 353 Cb 0.67 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 3ias h GLU 353 CO 0.01 0.00 -1.35 0.78 -1.00 0.00 0.00 179.01 177.45 3ias h GLY 354 N 0.00 0.39 1.01 -3.84 0.00 -1.38 -2.89 103.07 96.36 3ias h GLY 354 Ca 0.06 -1.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.34 3ias h GLY 354 CO -0.00 0.88 0.20 -2.00 0.00 0.00 0.00 176.54 175.62 3ias h LEU 355 N -0.16 0.90 0.56 3.11 5.85 -0.47 -1.47 115.31 123.63 3ias h LEU 355 Ca -0.27 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 3ias h LEU 355 Cb 1.87 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 42.67 3ias h LEU 355 CO 0.14 0.86 -0.27 0.25 -0.34 0.00 0.00 178.44 179.09 3ias h LEU 356 N 0.89 -0.64 -2.41 2.25 5.85 -1.03 -2.66 115.31 117.57 3ias h LEU 356 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3ias h LEU 356 Cb 0.28 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3ias h LEU 356 CO -0.01 -0.44 0.05 0.00 -0.34 0.00 0.00 178.44 177.70 3ias h ALA 357 N -0.33 1.04 0.27 1.25 0.00 -1.42 -0.88 119.26 119.19 3ias h ALA 357 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ias h ALA 357 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ias h ALA 357 CO 0.13 -0.04 -0.13 1.03 0.00 0.00 0.00 179.25 180.24 3ias h SER 358 N 0.00 -0.30 -0.56 0.00 0.87 -0.96 -3.08 113.55 109.52 3ias h SER 358 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3ias h SER 358 Cb 0.09 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 3ias h SER 358 CO 0.00 0.14 0.36 -0.33 -0.53 0.00 0.00 176.83 176.47 3ias h GLU 359 N -1.06 0.74 0.00 2.24 4.39 -1.13 -0.76 114.58 119.00 3ias h GLU 359 Ca -0.04 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3ias h GLU 359 Cb 0.27 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3ias h GLU 359 CO 0.06 0.50 -0.15 1.25 -1.16 0.00 0.00 179.01 179.50 3ias h LEU 360 N 0.76 0.00 -0.11 1.33 5.85 -1.29 -0.32 115.31 121.54 3ias h LEU 360 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3ias h LEU 360 Cb -0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3ias h LEU 360 CO -0.04 0.15 -0.72 0.00 -0.34 0.00 0.00 178.44 177.50 3ias n ALA 361 N -2.40 4.09 -0.01 1.25 0.00 -0.57 -2.56 120.51 120.32 3ias n ALA 361 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.92 3ias n ALA 361 Cb 0.24 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 3ias n ALA 361 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ias h LYS 362 N 0.26 -0.05 0.38 0.00 3.64 0.25 -2.76 116.57 118.29 3ias h LYS 362 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3ias h LYS 362 Cb 0.52 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3ias h LYS 362 CO 0.00 -0.04 -0.25 0.00 -2.27 0.00 0.00 179.45 176.89 3ias h ALA 363 N -1.41 -0.61 -0.54 5.00 0.00 -1.32 -3.15 119.26 117.24 3ias h ALA 363 Ca -0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 54.38 3ias h ALA 363 Cb 0.04 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3ias h ALA 363 CO 0.01 -0.86 1.35 -0.11 0.00 0.00 0.00 179.25 179.64 3ias n LEU 364 N -5.38 3.51 -4.52 0.00 7.94 -1.06 -4.88 117.00 112.61 3ias n LEU 364 Ca -0.10 -3.34 -0.28 0.00 -1.11 0.00 0.00 56.01 51.17 3ias n LEU 364 Cb 0.28 -1.73 -0.14 0.00 0.53 0.00 0.00 43.42 42.36 3ias n LEU 364 CO 0.33 -1.37 1.94 0.29 -1.11 0.00 0.00 177.39 177.47 3ias n LYS 365 N 8.27 0.31 -4.09 1.96 5.02 -1.19 -4.40 118.16 124.04 3ias n LYS 365 Ca 0.46 -0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.45 3ias n LYS 365 Cb 0.46 -2.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.21 3ias n LYS 365 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3ias s THR 366 N 7.96 0.54 -0.19 -0.18 -1.32 -1.04 -3.42 115.64 117.99 3ias s THR 366 Ca 1.19 -1.31 0.08 0.00 -1.21 0.00 0.00 61.69 60.44 3ias s THR 366 Cb -0.70 -0.89 -0.22 0.00 -1.51 0.00 0.00 72.50 69.19 3ias s THR 366 CO 0.39 -0.53 0.07 -0.81 -2.21 0.00 0.00 174.62 171.53 3ias n PRO 367 N 1.05 0.68 -3.23 7.08 -0.04 -1.26 -4.84 135.00 134.44 3ias n PRO 367 Ca -0.20 0.13 -0.46 0.00 -0.04 0.00 0.00 63.50 62.93 3ias n PRO 367 Cb 0.56 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 3ias n PRO 367 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3ias s HIS 368 N -2.53 3.64 -0.09 0.54 -3.43 -1.26 0.02 115.29 112.18 3ias s HIS 368 Ca -0.21 -1.90 0.02 0.00 -0.80 0.00 0.00 55.06 52.17 3ias s HIS 368 Cb 0.07 -3.94 0.01 0.00 -1.43 0.00 0.00 32.58 27.30 3ias s HIS 368 CO 0.73 -1.11 -0.15 -0.48 -2.00 0.00 0.00 174.74 171.73 3ias s LEU 369 N 0.69 1.72 0.23 5.38 2.34 -1.26 -2.42 118.68 125.37 3ias s LEU 369 Ca 0.23 -0.39 -0.02 0.00 0.06 0.00 0.00 54.13 54.01 3ias s LEU 369 Cb -0.09 -1.02 -0.03 0.00 -0.56 0.00 0.00 46.19 44.49 3ias s LEU 369 CO -0.09 0.04 0.21 -0.62 -1.06 0.00 0.00 176.35 174.83 3ias s ASP 370 N 0.79 0.33 0.04 1.48 2.15 -0.14 -1.51 116.67 119.82 3ias s ASP 370 Ca -0.11 -1.37 0.07 0.00 0.43 0.00 0.00 52.55 51.56 3ias s ASP 370 Cb -0.16 0.44 -0.02 0.00 -0.30 0.00 0.00 42.92 42.88 3ias s ASP 370 CO 0.02 -0.93 -0.19 0.72 -0.17 0.00 0.00 175.17 174.62 3ias s PHE 371 N -4.01 1.70 0.14 -5.34 -0.71 -1.22 -1.78 117.98 106.76 3ias s PHE 371 Ca 0.37 -0.37 -0.14 0.00 -1.04 0.00 0.00 56.93 55.75 3ias s PHE 371 Cb 0.05 -1.01 0.10 0.00 -1.21 0.00 0.00 43.02 40.95 3ias s PHE 371 CO 0.14 0.08 1.02 0.94 -1.34 0.00 0.00 175.22 176.06 3ias n GLN 372 N 1.85 -0.19 -0.11 1.99 7.27 0.33 -1.07 117.38 127.45 3ias n GLN 372 Ca -0.17 1.01 0.10 0.00 0.07 0.00 0.00 57.00 58.00 3ias n GLN 372 Cb 0.54 -1.49 0.32 0.00 2.41 0.00 0.00 30.24 32.02 3ias n GLN 372 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ias n GLY 373 N -1.27 0.48 3.70 1.69 0.00 -1.26 -4.90 105.19 103.62 3ias n GLY 373 Ca 0.05 -0.44 -0.65 0.00 0.00 0.00 0.00 46.02 44.98 3ias n GLY 373 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ias n ARG 374 N 0.46 0.12 -2.89 1.61 0.63 -0.23 -4.34 116.66 112.02 3ias n ARG 374 Ca 0.16 0.04 -0.40 0.00 -0.92 0.00 0.00 57.85 56.73 3ias n ARG 374 Cb 0.35 -1.56 -0.05 0.00 0.45 0.00 0.00 32.46 31.64 3ias n ARG 374 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3ias s THR 375 N 2.47 4.43 0.35 5.15 -4.23 -1.26 -4.94 115.64 117.61 3ias s THR 375 Ca 1.02 1.83 0.12 0.00 -1.18 0.00 0.00 61.69 63.47 3ias s THR 375 Cb -1.41 -4.20 0.34 0.00 1.34 0.00 0.00 72.50 68.56 3ias s THR 375 CO 0.76 0.44 1.80 0.00 -0.54 0.00 0.00 174.62 177.07 3ias h ALA 376 N 4.87 1.93 -2.97 3.99 0.00 -1.80 -3.31 119.26 121.96 3ias h ALA 376 Ca -0.45 0.06 -0.70 0.00 0.00 0.00 0.00 54.91 53.81 3ias h ALA 376 Cb 1.21 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 18.67 3ias h ALA 376 CO 0.69 -0.28 -0.55 0.00 0.00 0.00 0.00 179.25 179.11 3ias s ALA 377 N -5.66 3.17 -0.02 0.00 0.00 -0.82 -3.29 121.76 115.14 3ias s ALA 377 Ca -0.10 -1.87 -0.36 0.00 0.00 0.00 0.00 51.96 49.63 3ias s ALA 377 Cb 0.24 -2.45 -0.15 0.00 0.00 0.00 0.00 23.12 20.76 3ias s ALA 377 CO 0.80 -1.45 1.61 -2.30 0.00 0.00 0.00 175.76 174.42 3ias n PRO 378 N 4.88 1.61 0.31 0.00 -0.02 -1.25 -4.85 135.00 135.68 3ias n PRO 378 Ca -0.11 0.59 0.18 0.00 -2.02 0.00 0.00 63.50 62.13 3ias n PRO 378 Cb 0.44 -2.31 0.99 0.00 -0.02 0.00 0.00 33.50 32.60 3ias n PRO 378 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ias h ALA 379 N 6.53 1.23 0.00 3.55 0.00 -1.93 -0.06 119.26 128.58 3ias h ALA 379 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ias h ALA 379 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ias h ALA 379 CO 0.89 0.03 0.00 0.43 0.00 0.00 0.00 179.25 180.59 3ias n SER 380 N -3.45 0.59 -0.05 0.00 7.64 -1.26 -2.49 113.62 114.60 3ias n SER 380 Ca -0.02 0.71 -0.12 0.00 1.01 0.00 0.00 58.87 60.44 3ias n SER 380 Cb 0.12 -0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 62.43 3ias n SER 380 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3ias h LEU 381 N 0.00 -1.46 -9.96 -3.43 -0.00 -1.11 -3.22 115.31 96.12 3ias h LEU 381 Ca 0.00 0.18 -0.48 0.00 -0.00 0.00 0.00 57.88 57.59 3ias h LEU 381 Cb 0.18 0.58 -0.02 0.00 -0.00 0.00 0.00 40.66 41.40 3ias h LEU 381 CO 0.00 -0.37 0.24 -0.36 -0.00 0.00 0.00 178.44 177.94 3ias s PHE 382 N -5.19 3.49 -0.19 1.13 0.40 -1.04 -4.65 117.98 111.93 3ias s PHE 382 Ca -0.12 1.51 -0.29 0.00 -0.60 0.00 0.00 56.93 57.43 3ias s PHE 382 Cb 0.06 -2.75 -0.02 0.00 0.51 0.00 0.00 43.02 40.82 3ias s PHE 382 CO 0.50 0.11 1.49 -1.25 0.70 0.00 0.00 175.22 176.77 3ias s PRO 383 N -2.60 3.98 0.23 0.24 0.04 -1.26 -4.92 135.00 130.70 3ias s PRO 383 Ca 0.53 1.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 3ias s PRO 383 Cb -0.13 -3.94 -0.15 0.00 0.04 0.00 0.00 34.50 30.32 3ias s PRO 383 CO 0.18 -1.06 1.18 -2.30 0.04 0.00 0.00 177.00 175.04 3ias n PRO 384 N 7.28 1.46 -4.46 0.56 -0.02 -1.26 -1.59 135.00 136.97 3ias n PRO 384 Ca 0.17 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 3ias n PRO 384 Cb 0.45 -2.01 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 3ias n PRO 384 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ias s ALA 385 N -0.46 2.84 0.61 3.55 0.00 -0.96 -4.69 121.76 122.65 3ias s ALA 385 Ca 0.67 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 3ias s ALA 385 Cb -0.75 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 3ias s ALA 385 CO 0.54 0.13 1.17 0.45 0.00 0.00 0.00 175.76 178.05 3ias s SER 386 N 0.52 5.22 0.53 0.00 0.15 -1.26 -4.57 113.70 114.29 3ias s SER 386 Ca -0.05 2.25 0.30 0.00 0.70 0.00 0.00 55.95 59.15 3ias s SER 386 Cb -0.15 -2.58 1.39 0.00 -1.71 0.00 0.00 66.02 62.97 3ias s SER 386 CO 0.03 -1.56 2.01 -0.07 1.20 0.00 0.00 173.24 174.85 3ias h LEU 387 N 0.68 0.00 0.22 3.45 4.07 -1.94 -2.19 115.31 119.61 3ias h LEU 387 Ca -0.49 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.46 3ias h LEU 387 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 3ias h LEU 387 CO 0.55 0.10 -0.11 -0.08 -1.08 0.00 0.00 178.44 177.82 3ias h GLU 388 N 0.00 -0.28 -0.66 1.13 4.57 -1.91 -3.10 114.58 114.32 3ias h GLU 388 Ca -0.00 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 3ias h GLU 388 Cb 0.47 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.05 3ias h GLU 388 CO 0.01 -0.13 0.30 -0.44 -1.18 0.00 0.00 179.01 177.57 3ias h ASP 389 N -0.37 0.36 -0.97 1.04 3.32 -1.78 -2.06 116.42 115.95 3ias h ASP 389 Ca -0.03 0.07 0.24 0.00 0.02 0.00 0.00 57.03 57.33 3ias h ASP 389 Cb 0.29 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.78 3ias h ASP 389 CO 0.05 0.21 0.65 0.25 -1.72 0.00 0.00 179.24 178.67 3ias h LEU 390 N 0.52 0.37 -0.27 1.55 5.85 -1.36 0.91 115.31 122.88 3ias h LEU 390 Ca 0.33 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.95 3ias h LEU 390 Cb 0.37 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3ias h LEU 390 CO -0.28 0.11 -0.71 -0.07 -0.34 0.00 0.00 178.44 177.16 3ias h LEU 391 N 0.35 0.00 -1.62 2.25 3.38 -1.39 -3.26 115.31 115.02 3ias h LEU 391 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3ias h LEU 391 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3ias h LEU 391 CO -0.20 0.71 -0.13 0.00 0.09 0.00 0.00 178.44 178.91 3ias n GLN 392 N -3.42 1.98 -1.18 1.13 6.02 0.09 -4.83 117.38 117.18 3ias n GLN 392 Ca 0.00 -1.62 -0.29 0.00 -0.01 0.00 0.00 57.00 55.08 3ias n GLN 392 Cb 0.77 -1.47 0.19 0.00 1.02 0.00 0.00 30.24 30.75 3ias n GLN 392 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ias s ALA 393 N -2.13 0.89 -0.34 -1.58 0.00 0.08 -5.00 121.76 113.68 3ias s ALA 393 Ca 0.26 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.73 3ias s ALA 393 Cb 0.20 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 3ias s ALA 393 CO 0.38 -3.01 0.35 -0.25 0.00 0.00 0.00 175.76 173.22 3ias n ASP 394 N -4.31 0.64 -3.51 0.00 8.00 -0.92 -4.98 116.55 111.47 3ias n ASP 394 Ca 0.07 -0.82 -0.17 0.00 0.71 0.00 0.00 54.79 54.58 3ias n ASP 394 Cb 0.58 0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 42.25 3ias n ASP 394 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3ias s PHE 395 N -1.01 -0.63 -0.26 1.24 5.36 -1.26 -4.88 117.98 116.55 3ias s PHE 395 Ca 0.03 0.99 0.01 0.00 -0.96 0.00 0.00 56.93 57.00 3ias s PHE 395 Cb 0.03 0.43 0.07 0.00 -0.34 0.00 0.00 43.02 43.22 3ias s PHE 395 CO 0.13 -0.63 -0.01 0.00 -1.46 0.00 0.00 175.22 173.25 3ias s ALA 396 N -1.54 1.98 -0.44 11.12 0.00 -0.50 -1.58 121.76 130.81 3ias s ALA 396 Ca -0.09 -1.55 -0.16 0.00 0.00 0.00 0.00 51.96 50.16 3ias s ALA 396 Cb -0.00 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.62 3ias s ALA 396 CO 0.06 -1.34 0.39 -1.17 0.00 0.00 0.00 175.76 173.70 3ias s LEU 397 N 1.38 5.14 -0.12 0.00 2.96 -0.99 -0.04 118.68 127.01 3ias s LEU 397 Ca -0.01 -0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 52.96 3ias s LEU 397 Cb -0.19 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 3ias s LEU 397 CO -0.10 -0.58 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.61 3ias s VAL 398 N 1.90 3.71 -0.53 1.68 1.01 0.17 -1.02 120.40 127.32 3ias s VAL 398 Ca 0.08 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3ias s VAL 398 Cb -0.20 -2.58 0.17 0.00 0.00 0.00 0.00 36.38 33.77 3ias s VAL 398 CO 0.11 0.53 0.39 -0.76 0.00 0.00 0.00 175.10 175.37 3ias s LEU 399 N -0.03 2.92 0.00 3.92 1.02 -0.31 -0.34 118.68 125.86 3ias s LEU 399 Ca 0.00 -3.33 0.00 0.00 0.02 0.00 0.00 54.13 50.82 3ias s LEU 399 Cb -0.13 -0.98 0.00 0.00 0.02 0.00 0.00 46.19 45.09 3ias s LEU 399 CO 0.03 -0.15 0.00 0.61 0.02 0.00 0.00 176.35 176.86 3ias n GLY 400 N 2.58 3.08 3.29 -3.19 0.00 -0.33 -2.60 105.19 108.01 3ias n GLY 400 Ca 0.23 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 3ias n GLY 400 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ias s ASP 401 N 0.00 6.01 0.35 1.61 2.15 -1.26 -4.76 116.67 120.76 3ias s ASP 401 Ca 0.00 -1.75 0.07 0.00 0.43 0.00 0.00 52.55 51.30 3ias s ASP 401 Cb 0.00 -2.14 0.75 0.00 -0.30 0.00 0.00 42.92 41.24 3ias s ASP 401 CO 0.00 -0.77 1.89 -0.65 -0.17 0.00 0.00 175.17 175.48 3ias h PRO 402 N 8.72 0.74 0.00 4.34 0.11 -1.96 -1.12 132.00 142.83 3ias h PRO 402 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3ias h PRO 402 Cb 1.09 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3ias h PRO 402 CO 0.95 0.49 0.11 2.41 -0.21 0.00 0.00 178.00 181.75 3ias n THR 403 N -4.53 0.87 -0.02 -1.15 -1.04 -1.26 -1.77 114.28 105.37 3ias n THR 403 Ca 0.15 0.75 -0.04 0.00 -2.04 0.00 0.00 64.05 62.87 3ias n THR 403 Cb 0.38 -1.75 -0.01 0.00 -1.82 0.00 0.00 70.33 67.13 3ias n THR 403 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ias n GLU 404 N -2.20 0.08 -0.10 -2.82 -0.58 -0.71 -4.50 120.64 109.81 3ias n GLU 404 Ca -0.01 0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.64 3ias n GLU 404 Cb 0.14 -0.67 -0.04 0.00 -0.57 0.00 0.00 31.44 30.30 3ias n GLU 404 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3ias h GLU 405 N -0.13 0.60 -1.84 3.49 5.08 -1.17 -3.30 114.58 117.31 3ias h GLU 405 Ca -0.10 -0.26 -0.48 0.00 -1.00 0.00 0.00 59.36 57.53 3ias h GLU 405 Cb 1.09 -0.02 -0.33 0.00 0.50 0.00 0.00 28.75 29.99 3ias h GLU 405 CO -0.06 0.83 -0.90 0.00 -1.00 0.00 0.00 179.01 177.88 3ias n ALA 406 N -2.43 1.63 -0.13 3.43 0.00 -0.73 -4.69 120.51 117.60 3ias n ALA 406 Ca -0.03 -2.71 -0.03 0.00 0.00 0.00 0.00 53.44 50.66 3ias n ALA 406 Cb 0.36 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 3ias n ALA 406 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ias n PRO 407 N 2.35 -0.13 -0.08 0.00 -0.02 -1.01 -1.14 135.00 134.97 3ias n PRO 407 Ca 0.24 1.05 0.25 0.00 -2.02 0.00 0.00 63.50 63.02 3ias n PRO 407 Cb 0.52 -1.56 0.61 0.00 -0.02 0.00 0.00 33.50 33.05 3ias n PRO 407 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ias h ILE 408 N 0.00 0.19 -0.69 4.25 5.03 -1.94 0.28 117.51 124.63 3ias h ILE 408 Ca 0.05 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.89 3ias h ILE 408 Cb 0.12 0.33 -0.07 0.00 -3.03 0.00 0.00 36.82 34.17 3ias h ILE 408 CO -0.28 0.00 0.32 -0.07 -0.68 0.00 0.00 178.15 177.44 3ias h LEU 409 N 0.00 0.39 -0.75 1.44 3.38 -1.43 -0.76 115.31 117.58 3ias h LEU 409 Ca 0.36 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.54 3ias h LEU 409 Cb 2.02 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 42.64 3ias h LEU 409 CO -0.00 0.22 -0.23 -0.74 0.09 0.00 0.00 178.44 177.78 3ias h HIS 410 N 0.54 -0.54 -0.02 1.13 2.76 -0.59 0.15 115.15 118.58 3ias h HIS 410 Ca 0.34 0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.51 3ias h HIS 410 Cb 0.39 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 3ias h HIS 410 CO -0.13 -0.34 -0.34 -0.07 -1.30 0.00 0.00 177.93 175.75 3ias h LEU 411 N -0.03 0.03 -0.04 0.26 3.38 -1.28 -0.30 115.31 117.33 3ias h LEU 411 Ca 0.34 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 58.06 3ias h LEU 411 Cb 0.56 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ias h LEU 411 CO -0.78 0.37 -1.08 0.03 0.09 0.00 0.00 178.44 177.07 3ias h ARG 412 N 0.03 0.29 0.00 1.13 2.47 -0.71 -2.93 114.38 114.66 3ias h ARG 412 Ca 0.00 -0.39 -0.03 0.00 -1.26 0.00 0.00 59.98 58.30 3ias h ARG 412 Cb 0.61 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 3ias h ARG 412 CO 0.04 1.13 -0.13 -0.07 0.56 0.00 0.00 179.97 181.51 3ias h LEU 413 N 0.12 0.00 -0.29 3.04 3.38 -0.22 0.10 115.31 121.44 3ias h LEU 413 Ca -0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3ias h LEU 413 Cb 1.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 3ias h LEU 413 CO 0.18 0.13 -0.30 -1.28 0.09 0.00 0.00 178.44 177.25 3ias h SER 414 N 0.00 0.77 0.52 -0.43 0.87 -0.93 0.83 113.55 115.18 3ias h SER 414 Ca -0.00 -0.48 -0.05 0.00 -1.23 0.00 0.00 61.79 60.03 3ias h SER 414 Cb 0.47 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3ias h SER 414 CO 0.02 1.09 -0.25 -0.33 -0.53 0.00 0.00 176.83 176.83 3ias h GLU 415 N 0.46 0.00 -0.04 2.24 5.08 -1.22 -3.06 114.58 118.04 3ias h GLU 415 Ca 0.04 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 3ias h GLU 415 Cb 0.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.13 3ias h GLU 415 CO 0.07 0.25 -0.50 0.35 -1.00 0.00 0.00 179.01 178.18 3ias h PHE 416 N 0.00 0.58 0.00 4.33 3.57 -0.38 -1.93 116.94 123.12 3ias h PHE 416 Ca -0.00 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3ias h PHE 416 Cb 0.58 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3ias h PHE 416 CO 0.00 1.08 0.00 0.28 -2.23 0.00 0.00 178.31 177.44 3ias n VAL 417 N -4.28 0.76 -0.01 1.41 0.31 0.25 -1.39 118.33 115.38 3ias n VAL 417 Ca -0.09 0.19 0.09 0.00 -0.01 0.00 0.00 64.34 64.52 3ias n VAL 417 Cb 0.61 -0.93 0.20 0.00 -0.91 0.00 0.00 33.84 32.82 3ias n VAL 417 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3ias n ARG 418 N -1.40 2.45 -1.74 5.55 1.74 -1.16 -2.14 116.66 119.96 3ias n ARG 418 Ca 0.05 -2.18 -0.20 0.00 -0.77 0.00 0.00 57.85 54.75 3ias n ARG 418 Cb 0.15 -1.41 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 3ias n ARG 418 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3ias n ASP 419 N 1.12 -5.50 -4.79 0.55 9.92 -0.49 -4.96 116.55 112.40 3ias n ASP 419 Ca 0.17 0.40 -0.35 0.00 -0.53 0.00 0.00 54.79 54.48 3ias n ASP 419 Cb 0.51 -4.72 -0.04 0.00 -0.64 0.00 0.00 41.12 36.23 3ias n ASP 419 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3ias s LEU 420 N -4.83 3.96 -0.00 0.64 1.43 -0.73 -5.05 118.68 114.10 3ias s LEU 420 Ca 0.00 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 3ias s LEU 420 Cb 0.00 -4.43 -0.00 0.00 0.03 0.00 0.00 46.19 41.79 3ias s LEU 420 CO 0.00 -0.63 -0.02 -0.54 0.23 0.00 0.00 176.35 175.39 3ias s LYS 421 N -2.97 0.19 -0.41 1.70 1.02 -1.26 -4.70 119.74 113.31 3ias s LYS 421 Ca 0.63 -0.09 -0.37 0.00 0.02 0.00 0.00 55.97 56.16 3ias s LYS 421 Cb -0.17 -0.17 -0.16 0.00 -0.52 0.00 0.00 37.83 36.80 3ias s LYS 421 CO 0.22 0.05 1.59 -2.30 -0.92 0.00 0.00 175.35 173.98 3ias n PRO 422 N 3.00 0.00 -0.91 -1.68 -0.02 -1.26 -4.88 135.00 129.25 3ias n PRO 422 Ca -0.13 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.03 3ias n PRO 422 Cb 0.59 -1.24 0.15 0.00 -0.02 0.00 0.00 33.50 32.98 3ias n PRO 422 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ias s PRO 423 N 3.97 1.34 0.37 0.52 0.04 -1.26 -4.96 135.00 135.02 3ias s PRO 423 Ca 0.94 1.63 -0.27 0.00 0.04 0.00 0.00 61.00 63.33 3ias s PRO 423 Cb -1.24 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.45 3ias s PRO 423 CO 0.60 -2.41 1.35 -1.01 0.04 0.00 0.00 177.00 175.57 3ias s HIS 424 N -2.44 2.83 0.02 0.56 3.76 -1.26 -5.00 115.29 113.76 3ias s HIS 424 Ca 0.69 1.35 -0.22 0.00 -0.15 0.00 0.00 55.06 56.73 3ias s HIS 424 Cb -0.25 -3.77 -0.06 0.00 1.11 0.00 0.00 32.58 29.61 3ias s HIS 424 CO 0.54 -2.26 0.64 1.03 -0.85 0.00 0.00 174.74 173.84 3ias s ARG 425 N -2.06 4.36 0.51 1.40 0.52 -1.26 -4.57 118.95 117.85 3ias s ARG 425 Ca 0.53 0.84 0.05 0.00 -0.52 0.00 0.00 55.73 56.63 3ias s ARG 425 Cb -0.41 -3.33 0.05 0.00 0.52 0.00 0.00 34.95 31.78 3ias s ARG 425 CO 0.54 0.39 0.39 0.66 0.02 0.00 0.00 175.30 177.30 3ias n TYR 426 N 2.58 -0.68 0.25 -0.53 4.02 -1.17 -4.93 117.16 116.70 3ias n TYR 426 Ca -0.06 -2.17 0.16 0.00 -0.01 0.00 0.00 57.90 55.83 3ias n TYR 426 Cb 0.51 -0.42 0.88 0.00 -0.02 0.00 0.00 39.34 40.28 3ias n TYR 426 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 3ias h ASN 427 N 0.60 0.00 -0.14 7.72 4.21 -1.92 -0.27 115.58 125.78 3ias h ASN 427 Ca -0.32 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.18 3ias h ASN 427 Cb 1.19 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.38 3ias h ASN 427 CO 0.51 0.00 -0.01 0.00 -1.29 0.00 0.00 177.43 176.64 3ias n HIS 428 N -2.64 0.52 -4.14 1.19 1.44 -1.26 -5.03 115.22 105.30 3ias n HIS 428 Ca -0.02 -0.96 0.00 0.00 -2.01 0.00 0.00 57.72 54.73 3ias n HIS 428 Cb 0.07 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 29.93 3ias n HIS 428 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3ias n GLY 429 N -0.95 -0.53 3.65 -1.39 0.00 -0.11 -4.82 105.19 101.03 3ias n GLY 429 Ca 0.19 -1.11 -0.63 0.00 0.00 0.00 0.00 46.02 44.47 3ias n GLY 429 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ias n THR 430 N 0.00 0.03 -2.33 2.61 -1.04 -1.26 -3.04 114.28 109.25 3ias n THR 430 Ca 0.00 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.62 3ias n THR 430 Cb 0.00 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.06 3ias n THR 430 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3ias s PRO 431 N 1.80 4.09 -0.06 -2.82 0.04 -1.26 -4.97 135.00 131.82 3ias s PRO 431 Ca 0.98 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 63.56 3ias s PRO 431 Cb -1.33 -2.68 -0.21 0.00 0.04 0.00 0.00 34.50 30.31 3ias s PRO 431 CO 0.69 -0.27 1.05 0.74 0.04 0.00 0.00 177.00 179.24 3ias h PHE 432 N 2.68 -0.03 -3.56 0.56 -1.00 -1.89 -3.39 116.94 110.30 3ias h PHE 432 Ca -0.49 -0.00 -0.65 0.00 2.81 0.00 0.00 57.97 59.64 3ias h PHE 432 Cb 1.23 0.01 -0.40 0.00 3.61 0.00 0.00 35.95 40.40 3ias h PHE 432 CO 0.56 0.59 -0.69 0.00 -1.61 0.00 0.00 178.31 177.16 3ias s ALA 433 N -3.56 3.04 -0.47 2.45 0.00 -1.26 -3.35 121.76 118.61 3ias s ALA 433 Ca -0.16 -2.81 -0.24 0.00 0.00 0.00 0.00 51.96 48.75 3ias s ALA 433 Cb 0.00 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 21.11 3ias s ALA 433 CO 0.64 -1.82 0.85 0.34 0.00 0.00 0.00 175.76 175.77 3ias s ASP 434 N 0.45 6.42 0.40 0.00 -1.08 -1.26 -4.14 116.67 117.46 3ias s ASP 434 Ca 0.13 -0.10 0.29 0.00 -0.52 0.00 0.00 52.55 52.35 3ias s ASP 434 Cb -0.22 -2.41 1.31 0.00 -1.46 0.00 0.00 42.92 40.14 3ias s ASP 434 CO -0.05 -1.00 1.86 -0.07 0.52 0.00 0.00 175.17 176.43 3ias h LEU 435 N 10.38 0.00 -0.93 -1.34 -0.00 -1.91 -2.04 115.31 119.47 3ias h LEU 435 Ca -0.25 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.74 3ias h LEU 435 Cb 1.08 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.66 3ias h LEU 435 CO 1.00 0.00 0.57 -0.61 -0.00 0.00 0.00 178.44 179.39 3ias h GLN 436 N 0.00 0.88 -5.84 1.13 4.15 -1.90 -3.38 115.11 110.15 3ias h GLN 436 Ca 0.00 -0.05 -0.62 0.00 0.77 0.00 0.00 58.65 58.74 3ias h GLN 436 Cb 0.29 -0.20 -0.12 0.00 0.21 0.00 0.00 27.48 27.65 3ias h GLN 436 CO 0.00 0.58 0.39 0.42 -1.93 0.00 0.00 178.83 178.30 3ias s ILE 437 N -5.99 4.62 0.06 2.39 1.01 -0.77 -5.04 121.20 117.49 3ias s ILE 437 Ca -0.12 0.49 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 3ias s ILE 437 Cb 0.21 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3ias s ILE 437 CO 0.80 -0.73 0.22 -0.54 0.00 0.00 0.00 174.94 174.69 3ias s LYS 438 N 3.36 3.45 0.39 2.79 -0.14 -1.26 -3.96 119.74 124.38 3ias s LYS 438 Ca 0.31 -0.41 -0.26 0.00 -1.36 0.00 0.00 55.97 54.25 3ias s LYS 438 Cb -0.12 -3.03 -0.09 0.00 -1.68 0.00 0.00 37.83 32.91 3ias s LYS 438 CO 0.23 0.60 1.23 -2.00 -0.76 0.00 0.00 175.35 174.65 3ias s GLU 439 N -2.48 4.08 -1.13 1.68 2.12 -1.26 -3.74 118.70 117.98 3ias s GLU 439 Ca 0.35 1.99 -0.07 0.00 0.36 0.00 0.00 54.97 57.61 3ias s GLU 439 Cb -0.13 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 3ias s GLU 439 CO 0.27 -0.35 0.89 -2.13 -0.54 0.00 0.00 175.26 173.40 3ias n ARG 440 N 0.22 -3.24 -1.59 4.30 3.00 -1.26 -4.96 116.66 113.13 3ias n ARG 440 Ca 0.03 0.76 -0.30 0.00 -0.00 0.00 0.00 57.85 58.35 3ias n ARG 440 Cb 0.45 -5.47 0.08 0.00 0.00 0.00 0.00 32.46 27.51 3ias n ARG 440 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3ias s MET 441 N -5.04 2.38 -0.06 -0.14 -1.94 -1.24 -5.04 119.30 108.22 3ias s MET 441 Ca 0.32 0.70 -0.23 0.00 -1.71 0.00 0.00 55.69 54.77 3ias s MET 441 Cb -0.06 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.79 3ias s MET 441 CO 0.77 -1.43 0.69 -1.25 -0.01 0.00 0.00 175.02 173.79 3ias s PRO 442 N -5.14 4.43 -0.28 2.03 0.04 -1.26 -5.06 135.00 129.75 3ias s PRO 442 Ca 0.60 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 3ias s PRO 442 Cb -0.14 -3.43 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 3ias s PRO 442 CO 0.54 0.11 0.21 1.03 0.04 0.00 0.00 177.00 178.92 3ias s ARG 443 N 0.66 3.95 -0.01 4.56 0.52 -1.26 -4.71 118.95 122.66 3ias s ARG 443 Ca 0.37 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.98 3ias s ARG 443 Cb -0.18 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 3ias s ARG 443 CO 0.18 -0.19 1.08 1.03 0.02 0.00 0.00 175.30 177.42 3ias s ARG 444 N 1.78 4.47 0.00 3.54 0.52 -0.91 -4.93 118.95 123.43 3ias s ARG 444 Ca 0.08 1.56 0.25 0.00 -0.52 0.00 0.00 55.73 57.09 3ias s ARG 444 Cb -0.16 -3.45 0.49 0.00 0.52 0.00 0.00 34.95 32.35 3ias s ARG 444 CO 0.11 -0.21 1.43 0.25 0.02 0.00 0.00 175.30 176.90 3ias n THR 445 N 4.11 0.06 1.14 0.02 -2.24 -1.26 -4.03 114.28 112.08 3ias n THR 445 Ca 0.08 -0.45 0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3ias n THR 445 Cb 0.49 1.10 0.33 0.00 -2.10 0.00 0.00 70.33 70.15 3ias n THR 445 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ias n ASP 446 N 0.97 2.23 -0.98 3.42 5.75 -1.26 -1.16 116.55 125.52 3ias n ASP 446 Ca 0.16 -1.75 0.12 0.00 -0.01 0.00 0.00 54.79 53.31 3ias n ASP 446 Cb 0.52 -0.06 0.17 0.00 -1.03 0.00 0.00 41.12 40.72 3ias n ASP 446 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3ias n LYS 447 N 0.72 2.33 -3.68 0.11 4.81 -1.26 -4.97 118.16 116.23 3ias n LYS 447 Ca 0.17 -1.95 -0.15 0.00 -0.87 0.00 0.00 58.31 55.51 3ias n LYS 447 Cb 0.45 -1.48 -0.08 0.00 0.02 0.00 0.00 35.03 33.95 3ias n LYS 447 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3ias s MET 448 N -1.85 0.80 -0.05 1.64 0.00 -1.26 -1.42 119.30 117.17 3ias s MET 448 Ca 0.32 -0.02 0.01 0.00 0.00 0.00 0.00 55.69 56.00 3ias s MET 448 Cb 0.21 0.37 0.02 0.00 0.00 0.00 0.00 34.83 35.43 3ias s MET 448 CO 0.31 -0.23 -0.05 0.00 0.00 0.00 0.00 175.02 175.04 3ias s ALA 449 N -1.25 0.79 -0.21 4.11 0.00 0.95 -3.84 121.76 122.32 3ias s ALA 449 Ca -0.12 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3ias s ALA 449 Cb -0.03 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.62 3ias s ALA 449 CO 0.06 -0.07 -0.12 -1.17 0.00 0.00 0.00 175.76 174.46 3ias s LEU 450 N 1.05 2.50 -0.21 0.00 1.98 -0.70 0.46 118.68 123.75 3ias s LEU 450 Ca -0.09 -0.96 0.00 0.00 -2.89 0.00 0.00 54.13 50.20 3ias s LEU 450 Cb -0.14 -1.34 0.02 0.00 0.66 0.00 0.00 46.19 45.40 3ias s LEU 450 CO -0.01 -0.13 -0.14 -0.36 -1.89 0.00 0.00 176.35 173.82 3ias s PHE 451 N 1.32 2.93 0.04 5.38 0.08 0.53 -2.24 117.98 126.01 3ias s PHE 451 Ca -0.02 -1.63 -0.22 0.00 0.12 0.00 0.00 56.93 55.18 3ias s PHE 451 Cb -0.16 -1.97 0.05 0.00 -0.57 0.00 0.00 43.02 40.36 3ias s PHE 451 CO -0.08 -0.77 0.51 0.00 -0.10 0.00 0.00 175.22 174.77 3ias s ALA 452 N 1.29 -1.28 -1.52 5.36 0.00 -1.14 -1.19 121.76 123.28 3ias s ALA 452 Ca 0.02 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3ias s ALA 452 Cb -0.15 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3ias s ALA 452 CO -0.09 -0.48 0.18 -0.35 0.00 0.00 0.00 175.76 175.02 3ias n PRO 453 N 0.48 0.00 -3.86 0.00 -0.04 -1.26 -3.01 135.00 127.31 3ias n PRO 453 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 3ias n PRO 453 Cb 0.60 -1.23 0.01 0.00 -0.04 0.00 0.00 33.50 32.84 3ias n PRO 453 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3ias s TYR 454 N -1.63 0.26 -1.00 0.54 -0.85 -1.26 -4.65 117.35 108.75 3ias s TYR 454 Ca 0.00 -0.85 -0.24 0.00 -0.52 0.00 0.00 57.07 55.46 3ias s TYR 454 Cb 0.00 0.67 -0.07 0.00 0.38 0.00 0.00 41.96 42.94 3ias s TYR 454 CO 0.00 -1.48 1.96 0.50 -1.52 0.00 0.00 175.55 175.02 3ias s ARG 455 N -2.55 2.47 0.73 -3.49 6.06 -1.26 -4.77 118.95 116.14 3ias s ARG 455 Ca 0.18 -0.58 -0.14 0.00 -2.50 0.00 0.00 55.73 52.69 3ias s ARG 455 Cb -0.04 -5.12 0.04 0.00 0.06 0.00 0.00 34.95 29.89 3ias s ARG 455 CO 0.13 -3.68 1.16 0.00 -2.50 0.00 0.00 175.30 170.41 3ias s ALA 456 N 10.74 2.16 0.17 6.12 0.00 -1.26 -4.94 121.76 134.74 3ias s ALA 456 Ca 0.70 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 3ias s ALA 456 Cb -0.05 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.73 3ias s ALA 456 CO 0.05 -1.79 1.69 -1.35 0.00 0.00 0.00 175.76 174.37 3ias h PRO 457 N -0.45 0.88 -0.44 0.00 0.11 -1.99 -2.80 132.00 127.32 3ias h PRO 457 Ca -0.46 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.46 3ias h PRO 457 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ias h PRO 457 CO 0.50 0.80 0.00 1.28 -0.21 0.00 0.00 178.00 180.37 3ias n LEU 458 N -4.43 0.71 0.10 2.35 4.32 -1.26 -2.87 117.00 115.92 3ias n LEU 458 Ca 0.03 -0.36 0.12 0.00 -0.02 0.00 0.00 56.01 55.79 3ias n LEU 458 Cb 0.20 -0.23 0.45 0.00 -1.62 0.00 0.00 43.42 42.22 3ias n LEU 458 CO 0.40 0.15 0.87 0.80 -1.22 0.00 0.00 177.39 178.39 3ias n MET 459 N -0.19 0.20 -0.02 3.23 1.56 -1.06 -3.28 117.12 117.56 3ias n MET 459 Ca 0.02 0.27 -0.09 0.00 -0.27 0.00 0.00 57.70 57.62 3ias n MET 459 Cb 0.16 -1.78 0.06 0.00 2.15 0.00 0.00 33.22 33.80 3ias n MET 459 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 3ias h LYS 460 N 0.00 0.63 -0.61 2.12 1.63 -1.75 -2.90 116.57 115.69 3ias h LYS 460 Ca 0.00 -0.36 -0.11 0.00 -0.85 0.00 0.00 60.65 59.33 3ias h LYS 460 Cb 0.55 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.14 3ias h LYS 460 CO 0.00 0.97 0.13 0.91 -3.45 0.00 0.00 179.45 178.01 3ias n TRP 461 N -4.00 2.10 -4.01 1.91 8.01 -1.21 -4.83 117.44 115.41 3ias n TRP 461 Ca -0.03 -1.01 -0.31 0.00 -1.31 0.00 0.00 57.50 54.84 3ias n TRP 461 Cb 0.57 -0.58 -0.15 0.00 -2.01 0.00 0.00 31.31 29.14 3ias n TRP 461 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3ias s ALA 462 N -2.91 2.45 0.05 6.99 0.00 -1.10 -4.45 121.76 122.79 3ias s ALA 462 Ca 0.53 -1.86 -0.32 0.00 0.00 0.00 0.00 51.96 50.31 3ias s ALA 462 Cb 0.42 -1.65 -0.18 0.00 0.00 0.00 0.00 23.12 21.71 3ias s ALA 462 CO 0.13 -1.35 1.46 0.00 0.00 0.00 0.00 175.76 176.01 3ias h ALA 463 N 7.79 -1.29 -1.88 0.00 0.00 -1.24 -3.38 119.26 119.25 3ias h ALA 463 Ca -0.15 -0.25 -0.57 0.00 0.00 0.00 0.00 54.91 53.94 3ias h ALA 463 Cb 1.04 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 3ias h ALA 463 CO 0.46 -1.21 1.02 0.42 0.00 0.00 0.00 179.25 179.94 3ias s ILE 464 N -5.50 4.02 -0.28 0.00 -1.09 -1.26 -4.97 121.20 112.13 3ias s ILE 464 Ca -0.17 1.10 -0.22 0.00 -2.23 0.00 0.00 60.65 59.14 3ias s ILE 464 Cb 0.02 -4.17 0.09 0.00 -1.58 0.00 0.00 42.46 36.82 3ias s ILE 464 CO 0.51 -0.60 0.80 -1.38 -1.23 0.00 0.00 174.94 173.03 3ias s HIS 465 N 4.87 -0.78 0.01 3.97 -3.43 -1.26 -1.72 115.29 116.94 3ias s HIS 465 Ca 0.59 1.76 -0.16 0.00 -0.80 0.00 0.00 55.06 56.45 3ias s HIS 465 Cb -0.15 0.40 0.03 0.00 -1.43 0.00 0.00 32.58 31.42 3ias s HIS 465 CO 0.28 -0.38 0.34 -2.00 -2.00 0.00 0.00 174.74 170.97 3ias s GLU 466 N 0.80 0.76 -0.15 -0.38 2.12 -0.95 -4.98 118.70 115.91 3ias s GLU 466 Ca -0.03 -0.28 -0.18 0.00 0.36 0.00 0.00 54.97 54.84 3ias s GLU 466 Cb -0.05 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 3ias s GLU 466 CO -0.08 -0.23 0.48 0.08 -0.54 0.00 0.00 175.26 174.98 3ias s VAL 467 N -1.81 5.17 0.21 3.70 1.01 -1.26 -2.89 120.40 124.53 3ias s VAL 467 Ca -0.10 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.82 3ias s VAL 467 Cb -0.03 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3ias s VAL 467 CO 0.02 0.28 0.06 0.00 0.00 0.00 0.00 175.10 175.46 3ias n HIS 468 N 4.03 -0.17 -3.89 5.22 1.44 -1.17 -4.99 115.22 115.70 3ias n HIS 468 Ca -0.07 -0.97 -0.22 0.00 -2.01 0.00 0.00 57.72 54.46 3ias n HIS 468 Cb 0.51 -0.15 -0.04 0.00 0.12 0.00 0.00 29.99 30.43 3ias n HIS 468 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3ias s ARG 469 N -2.80 2.68 0.60 -1.40 1.70 -1.26 -4.26 118.95 114.22 3ias s ARG 469 Ca 0.05 -1.31 -0.18 0.00 -0.47 0.00 0.00 55.73 53.82 3ias s ARG 469 Cb -0.00 -2.43 -0.14 0.00 -0.57 0.00 0.00 34.95 31.80 3ias s ARG 469 CO 0.03 0.13 -0.13 -2.30 -1.08 0.00 0.00 175.30 171.96 3ias n PRO 470 N -1.31 0.07 -3.10 3.89 -0.02 -1.26 -3.20 135.00 130.06 3ias n PRO 470 Ca -0.03 0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 3ias n PRO 470 Cb 0.60 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 3ias n PRO 470 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ias n GLY 471 N 2.53 -0.54 0.00 -1.23 0.00 -1.26 -4.78 105.19 99.91 3ias n GLY 471 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3ias n GLY 471 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ias n GLU 472 N -1.48 0.00 0.25 1.61 2.13 -1.19 -4.79 120.64 117.16 3ias n GLU 472 Ca -0.13 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.77 3ias n GLU 472 Cb 0.29 -0.41 0.62 0.00 0.27 0.00 0.00 31.44 32.21 3ias n GLU 472 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3ias h GLU 473 N 0.00 0.00 -0.97 5.31 9.09 -1.86 -2.65 114.58 123.50 3ias h GLU 473 Ca 0.00 0.00 0.24 0.00 0.05 0.00 0.00 59.36 59.65 3ias h GLU 473 Cb 0.44 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.42 3ias h GLU 473 CO 0.00 0.13 0.54 0.07 0.05 0.00 0.00 179.01 179.79 3ias h ARG 474 N 0.00 0.52 0.16 1.06 0.11 -1.94 0.50 114.38 114.79 3ias h ARG 474 Ca -0.00 -0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.75 3ias h ARG 474 Cb 0.26 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.23 3ias h ARG 474 CO 0.02 0.34 -1.34 0.93 0.10 0.00 0.00 179.97 180.02 3ias h GLU 475 N 0.53 0.34 -0.34 0.08 5.08 -1.86 -2.33 114.58 116.07 3ias h GLU 475 Ca 0.62 -0.57 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3ias h GLU 475 Cb 1.17 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 3ias h GLU 475 CO -0.49 1.27 -0.02 0.82 -1.00 0.00 0.00 179.01 179.59 3ias h ILE 476 N 0.09 1.26 -0.90 3.13 5.03 -1.31 -0.06 117.51 124.76 3ias h ILE 476 Ca -0.18 -1.01 0.00 0.00 -0.12 0.00 0.00 64.86 63.56 3ias h ILE 476 Cb 2.03 1.24 -0.04 0.00 -3.03 0.00 0.00 36.82 37.01 3ias h ILE 476 CO 0.22 0.33 0.57 -0.07 -0.68 0.00 0.00 178.15 178.52 3ias h LEU 477 N 0.42 1.06 0.67 1.44 4.07 -0.11 -0.69 115.31 122.16 3ias h LEU 477 Ca 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 3ias h LEU 477 Cb 0.48 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 3ias h LEU 477 CO 0.02 0.79 -0.45 0.25 -1.08 0.00 0.00 178.44 177.97 3ias h LEU 478 N 1.23 -1.16 -0.71 1.67 6.46 -1.22 -2.54 115.31 119.04 3ias h LEU 478 Ca 0.33 0.07 0.15 0.00 -0.12 0.00 0.00 57.88 58.31 3ias h LEU 478 Cb -0.10 0.35 -0.13 0.00 -0.73 0.00 0.00 40.66 40.05 3ias h LEU 478 CO -0.07 -0.68 -0.06 0.00 -0.62 0.00 0.00 178.44 177.02 3ias h ALA 479 N -0.89 0.64 -0.69 1.25 0.00 -0.67 -0.40 119.26 118.50 3ias h ALA 479 Ca -0.08 0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3ias h ALA 479 Cb 0.87 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 3ias h ALA 479 CO 0.06 -0.42 0.31 -0.07 0.00 0.00 0.00 179.25 179.13 3ias h LEU 480 N 0.07 0.36 -0.78 0.00 3.38 -1.00 -1.32 115.31 116.02 3ias h LEU 480 Ca 0.37 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.55 3ias h LEU 480 Cb 0.61 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 3ias h LEU 480 CO -0.66 0.20 0.37 -0.07 0.09 0.00 0.00 178.44 178.37 3ias h LEU 481 N 0.52 0.41 0.00 1.67 3.38 -0.64 -3.46 115.31 117.19 3ias h LEU 481 Ca 0.35 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3ias h LEU 481 Cb 0.42 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3ias h LEU 481 CO -0.30 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.01 3ias n GLY 482 N -1.32 1.19 1.30 0.83 0.00 -0.50 -5.04 105.19 101.66 3ias n GLY 482 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3ias n GLY 482 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ias n ASP 483 N 0.00 3.85 -2.95 1.61 8.00 -1.24 -5.00 116.55 120.82 3ias n ASP 483 Ca 0.00 -2.00 -0.08 0.00 0.71 0.00 0.00 54.79 53.42 3ias n ASP 483 Cb 0.00 -0.44 0.02 0.00 -0.02 0.00 0.00 41.12 40.68 3ias n ASP 483 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ias s LYS 484 N -1.08 2.19 -0.19 -1.24 -0.14 -1.26 -4.94 119.74 113.08 3ias s LYS 484 Ca 0.47 -1.41 -0.03 0.00 -1.36 0.00 0.00 55.97 53.64 3ias s LYS 484 Cb 0.25 0.61 -0.01 0.00 -1.68 0.00 0.00 37.83 37.00 3ias s LYS 484 CO 0.33 -1.03 -0.06 -2.00 -0.76 0.00 0.00 175.35 171.83 3ias s GLU 485 N -2.31 3.45 0.03 1.68 2.12 -1.26 -4.77 118.70 117.65 3ias s GLU 485 Ca 0.16 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.88 3ias s GLU 485 Cb -0.05 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.43 3ias s GLU 485 CO 0.11 -0.01 0.01 0.41 -0.54 0.00 0.00 175.26 175.25 3ias n GLY 486 N 4.24 3.34 3.36 -1.50 0.00 -1.26 -5.01 105.19 108.37 3ias n GLY 486 Ca -0.18 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.37 3ias n GLY 486 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ias n SER 487 N -1.73 -2.45 -0.15 1.61 3.41 -1.26 -4.71 113.62 108.33 3ias n SER 487 Ca -0.00 -0.33 -0.05 0.00 -0.26 0.00 0.00 58.87 58.23 3ias n SER 487 Cb 0.03 -1.13 0.04 0.00 -0.26 0.00 0.00 64.21 62.89 3ias n SER 487 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ias h GLU 488 N -2.81 0.42 -0.11 4.33 5.08 -2.00 -1.77 114.58 117.72 3ias h GLU 488 Ca -0.57 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.81 3ias h GLU 488 Cb 1.32 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 3ias h GLU 488 CO 0.42 0.28 -0.37 0.52 -1.00 0.00 0.00 179.01 178.86 3ias h MET 489 N 0.43 -0.44 -0.71 2.33 2.86 -1.94 0.31 114.93 117.77 3ias h MET 489 Ca 0.21 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.99 3ias h MET 489 Cb 0.14 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3ias h MET 489 CO -0.17 -0.29 0.47 0.28 1.06 0.00 0.00 176.91 178.26 3ias h VAL 490 N -0.46 0.89 0.08 -2.22 2.07 -1.84 0.46 116.25 115.23 3ias h VAL 490 Ca 0.08 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3ias h VAL 490 Cb 0.59 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3ias h VAL 490 CO -0.36 0.10 -0.04 0.00 0.02 0.00 0.00 177.57 177.29 3ias h ALA 491 N 1.65 -0.10 0.00 1.67 0.00 0.26 0.24 119.26 122.97 3ias h ALA 491 Ca 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ias h ALA 491 Cb 0.59 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3ias h ALA 491 CO -0.11 -0.42 -0.03 0.87 0.00 0.00 0.00 179.25 179.55 3ias h LYS 492 N -0.38 0.00 -0.07 0.00 1.57 0.16 -0.46 116.57 117.39 3ias h LYS 492 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 3ias h LYS 492 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 3ias h LYS 492 CO 0.02 0.03 -0.56 0.00 -0.57 0.00 0.00 179.45 178.37 3ias h ALA 493 N 1.97 0.17 0.70 3.86 0.00 -0.53 -1.82 119.26 123.61 3ias h ALA 493 Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 3ias h ALA 493 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ias h ALA 493 CO 0.00 0.40 -0.41 -0.22 0.00 0.00 0.00 179.25 179.03 3ias h LYS 494 N 0.09 -0.99 -0.07 0.00 3.64 0.50 -0.12 116.57 119.61 3ias h LYS 494 Ca -0.05 0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3ias h LYS 494 Cb 1.22 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 33.27 3ias h LYS 494 CO 0.11 -0.66 0.09 1.49 -2.27 0.00 0.00 179.45 178.21 3ias h GLU 495 N -1.03 0.00 0.28 1.90 4.81 -1.20 0.42 114.58 119.76 3ias h GLU 495 Ca -0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3ias h GLU 495 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3ias h GLU 495 CO 0.11 0.00 -0.13 0.00 -0.73 0.00 0.00 179.01 178.25 3ias h ALA 496 N 1.89 -0.37 -0.48 2.92 0.00 -1.04 -1.88 119.26 120.30 3ias h ALA 496 Ca 0.03 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.91 3ias h ALA 496 Cb 0.21 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ias h ALA 496 CO -0.00 -0.40 0.34 2.35 0.00 0.00 0.00 179.25 181.54 3ias h TRP 497 N -0.98 0.00 0.47 0.00 2.91 0.19 0.14 115.95 118.67 3ias h TRP 497 Ca -0.04 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.96 3ias h TRP 497 Cb 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 3ias h TRP 497 CO 0.04 0.00 -0.22 0.93 -1.03 0.00 0.00 178.44 178.16 3ias h GLU 498 N 0.00 -0.60 0.00 2.65 4.39 -0.22 -2.94 114.58 117.86 3ias h GLU 498 Ca 0.23 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3ias h GLU 498 Cb 0.91 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3ias h GLU 498 CO -0.00 -0.40 0.00 1.63 -1.16 0.00 0.00 179.01 179.07 3ias n LYS 499 N -4.39 0.31 -2.17 2.33 5.02 -0.71 -4.70 118.16 113.85 3ias n LYS 499 Ca -0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 3ias n LYS 499 Cb 0.25 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3ias n LYS 499 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ias s ALA 500 N -2.00 3.62 -0.09 7.82 0.00 0.44 -4.95 121.76 126.60 3ias s ALA 500 Ca 0.14 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 3ias s ALA 500 Cb 0.06 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3ias s ALA 500 CO 0.11 -1.16 0.09 0.87 0.00 0.00 0.00 175.76 175.67 3ias h LYS 501 N 8.57 -0.07 -2.02 0.00 6.56 -1.87 -3.43 116.57 124.31 3ias h LYS 501 Ca -0.36 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 58.67 3ias h LYS 501 Cb 1.16 0.01 -0.39 0.00 -0.57 0.00 0.00 32.23 32.45 3ias h LYS 501 CO 0.94 -0.03 -1.09 0.09 -2.06 0.00 0.00 179.45 177.30 3ias n ASN 502 N -4.82 0.26 -4.18 0.86 3.02 -1.26 -4.99 115.26 104.15 3ias n ASN 502 Ca -0.01 -2.70 -0.29 0.00 -0.03 0.00 0.00 54.58 51.55 3ias n ASN 502 Cb 0.03 -0.64 0.18 0.00 -0.61 0.00 0.00 39.78 38.75 3ias n ASN 502 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ias s PRO 503 N -1.18 0.73 -0.01 3.52 0.04 -1.26 -2.17 135.00 134.67 3ias s PRO 503 Ca 0.35 -0.59 -0.00 0.00 0.04 0.00 0.00 61.00 60.79 3ias s PRO 503 Cb 0.16 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.79 3ias s PRO 503 CO -0.11 -2.30 0.03 0.08 0.04 0.00 0.00 177.00 174.73 3ias s VAL 504 N -3.77 -0.02 -0.23 -0.36 1.01 -0.61 -4.25 120.40 112.16 3ias s VAL 504 Ca 0.74 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 3ias s VAL 504 Cb -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 3ias s VAL 504 CO 0.52 0.03 0.22 -0.22 0.00 0.00 0.00 175.10 175.64 3ias s LEU 505 N 0.38 4.12 -0.16 3.92 2.96 -0.78 -2.34 118.68 126.78 3ias s LEU 505 Ca -0.03 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3ias s LEU 505 Cb -0.04 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 3ias s LEU 505 CO -0.01 0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.34 3ias s ILE 506 N 1.13 3.42 0.01 6.68 1.01 -0.19 -1.04 121.20 132.22 3ias s ILE 506 Ca 0.10 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 3ias s ILE 506 Cb -0.14 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.85 3ias s ILE 506 CO 0.05 0.48 0.20 -1.48 0.00 0.00 0.00 174.94 174.20 3ias s LEU 507 N 0.68 1.29 0.00 2.97 0.05 -1.07 -1.16 118.68 121.44 3ias s LEU 507 Ca -0.04 -0.15 0.00 0.00 0.05 0.00 0.00 54.13 53.99 3ias s LEU 507 Cb -0.15 0.93 0.00 0.00 -2.05 0.00 0.00 46.19 44.92 3ias s LEU 507 CO 0.02 -0.44 0.00 0.61 -0.55 0.00 0.00 176.35 176.00 3ias n GLY 508 N 1.22 1.74 0.00 -3.48 0.00 -1.07 -1.64 105.19 101.95 3ias n GLY 508 Ca -0.22 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3ias n GLY 508 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 509 N -3.00 -0.00 -0.35 4.61 0.00 -1.26 -2.17 120.51 118.34 3ias n ALA 509 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3ias n ALA 509 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ias n ALA 509 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ias h GLY 510 N 0.00 -0.17 0.67 0.00 0.00 -1.90 0.93 103.07 102.60 3ias h GLY 510 Ca 0.00 0.57 0.06 0.00 0.00 0.00 0.00 47.33 47.96 3ias h GLY 510 CO 0.00 -0.15 0.35 -2.08 0.00 0.00 0.00 176.54 174.65 3ias h VAL 511 N -0.05 0.96 -0.00 4.60 2.07 -1.84 -1.94 116.25 120.05 3ias h VAL 511 Ca 0.28 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3ias h VAL 511 Cb 0.56 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3ias h VAL 511 CO -0.91 0.12 -0.16 -0.11 0.02 0.00 0.00 177.57 176.53 3ias n LEU 512 N -4.81 0.41 -0.17 2.57 7.94 -0.38 -2.39 117.00 120.17 3ias n LEU 512 Ca 0.08 0.08 0.07 0.00 -1.11 0.00 0.00 56.01 55.13 3ias n LEU 512 Cb 0.17 -0.25 -0.04 0.00 0.53 0.00 0.00 43.42 43.84 3ias n LEU 512 CO 0.29 0.08 0.11 1.67 -1.11 0.00 0.00 177.39 178.43 3ias n GLN 513 N -1.12 2.11 -4.03 1.96 -0.06 0.18 -1.94 117.38 114.48 3ias n GLN 513 Ca 0.12 -0.39 -0.31 0.00 -2.00 0.00 0.00 57.00 54.41 3ias n GLN 513 Cb 0.30 -1.19 -0.16 0.00 -4.06 0.00 0.00 30.24 25.13 3ias n GLN 513 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3ias s ASP 514 N -2.01 3.47 0.25 1.69 -1.08 -0.92 -4.57 116.67 113.49 3ias s ASP 514 Ca 0.09 -0.90 -0.04 0.00 -0.52 0.00 0.00 52.55 51.17 3ias s ASP 514 Cb 0.11 -1.32 0.51 0.00 -1.46 0.00 0.00 42.92 40.76 3ias s ASP 514 CO 0.46 -0.12 1.66 0.74 0.52 0.00 0.00 175.17 178.42 3ias h THR 515 N 6.36 0.40 0.00 1.71 2.02 -1.90 -1.29 112.91 120.21 3ias h THR 515 Ca -0.30 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3ias h THR 515 Cb 1.10 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3ias h THR 515 CO 0.50 0.03 0.00 0.52 0.37 0.00 0.00 175.52 176.95 3ias n VAL 516 N -5.25 0.00 0.05 3.16 0.31 -1.26 -0.88 118.33 114.46 3ias n VAL 516 Ca 0.16 1.17 -0.13 0.00 -0.01 0.00 0.00 64.34 65.53 3ias n VAL 516 Cb 0.52 -1.81 -0.06 0.00 -0.91 0.00 0.00 33.84 31.57 3ias n VAL 516 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ias h ALA 517 N -1.75 -0.63 -0.94 3.52 0.00 -1.79 -2.03 119.26 115.64 3ias h ALA 517 Ca 0.00 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.09 3ias h ALA 517 Cb 0.00 0.73 -0.18 0.00 0.00 0.00 0.00 17.79 18.35 3ias h ALA 517 CO 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 179.25 178.20 3ias h ALA 518 N 0.03 0.85 0.30 0.00 0.00 -0.86 0.47 119.26 120.04 3ias h ALA 518 Ca 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3ias h ALA 518 Cb 0.64 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ias h ALA 518 CO -0.33 -0.46 -0.21 1.49 0.00 0.00 0.00 179.25 179.74 3ias h GLU 519 N 0.01 -0.49 -0.95 0.00 4.57 -0.31 -1.96 114.58 115.46 3ias h GLU 519 Ca 0.50 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.78 3ias h GLU 519 Cb 0.90 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.54 3ias h GLU 519 CO -0.92 -0.32 0.61 0.00 -1.18 0.00 0.00 179.01 177.20 3ias h ARG 520 N -0.51 1.05 -0.01 1.92 3.08 0.05 -1.42 114.38 118.54 3ias h ARG 520 Ca -0.03 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3ias h ARG 520 Cb 0.43 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3ias h ARG 520 CO 0.01 0.69 -0.09 0.00 -1.07 0.00 0.00 179.97 179.51 3ias h ALA 521 N 1.49 -0.09 -0.87 0.04 0.00 0.01 -0.44 119.26 119.39 3ias h ALA 521 Ca 0.41 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.41 3ias h ALA 521 Cb 0.20 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3ias h ALA 521 CO -0.16 -0.58 0.53 -0.09 0.00 0.00 0.00 179.25 178.95 3ias h ARG 522 N -0.16 0.90 0.02 0.00 2.43 -0.52 -1.70 114.38 115.35 3ias h ARG 522 Ca 0.04 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ias h ARG 522 Cb 0.21 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3ias h ARG 522 CO -0.11 0.59 -0.01 1.25 -1.51 0.00 0.00 179.97 180.19 3ias h LEU 523 N 0.92 -0.02 -1.70 3.80 6.46 -0.73 0.23 115.31 124.27 3ias h LEU 523 Ca 0.40 -0.12 0.15 0.00 -0.12 0.00 0.00 57.88 58.19 3ias h LEU 523 Cb 0.27 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 3ias h LEU 523 CO -0.21 0.10 0.47 0.25 -0.62 0.00 0.00 178.44 178.43 3ias h LEU 524 N -0.15 0.28 -0.02 2.25 5.85 -0.55 -0.28 115.31 122.68 3ias h LEU 524 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ias h LEU 524 Cb 0.14 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3ias h LEU 524 CO 0.00 0.15 -0.54 0.00 -0.34 0.00 0.00 178.44 177.71 3ias n ALA 525 N -2.56 3.66 -0.09 1.25 0.00 -0.69 -2.91 120.51 119.17 3ias n ALA 525 Ca 0.13 -0.38 -0.21 0.00 0.00 0.00 0.00 53.44 52.98 3ias n ALA 525 Cb 0.55 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 3ias n ALA 525 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ias h GLU 526 N 0.05 0.04 0.01 0.00 5.08 0.65 -3.17 114.58 117.25 3ias h GLU 526 Ca 0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3ias h GLU 526 Cb 0.50 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3ias h GLU 526 CO 0.00 1.03 -0.28 0.00 -1.00 0.00 0.00 179.01 178.76 3ias h ARG 527 N -0.87 -0.42 -5.99 2.33 3.08 -1.27 -3.35 114.38 107.90 3ias h ARG 527 Ca -0.33 0.03 -0.57 0.00 0.07 0.00 0.00 59.98 59.19 3ias h ARG 527 Cb 1.37 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.46 3ias h ARG 527 CO -0.15 -0.28 0.15 0.21 -1.07 0.00 0.00 179.97 178.83 3ias s LYS 528 N -6.04 4.40 -0.54 0.04 2.20 -1.15 -4.95 119.74 113.70 3ias s LYS 528 Ca -0.15 0.89 -0.11 0.00 -0.36 0.00 0.00 55.97 56.24 3ias s LYS 528 Cb 0.09 -3.48 -0.10 0.00 -1.51 0.00 0.00 37.83 32.83 3ias s LYS 528 CO 0.66 -0.03 1.73 0.41 -0.36 0.00 0.00 175.35 177.75 3ias n GLY 529 N 3.23 2.32 3.39 5.54 0.00 -1.26 -4.53 105.19 113.88 3ias n GLY 529 Ca -0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 3ias n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s ALA 530 N 4.60 2.37 0.39 4.61 0.00 -1.20 -4.94 121.76 127.58 3ias s ALA 530 Ca 0.37 -1.51 0.05 0.00 0.00 0.00 0.00 51.96 50.87 3ias s ALA 530 Cb 0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3ias s ALA 530 CO 0.05 0.48 0.55 0.15 0.00 0.00 0.00 175.76 176.99 3ias s LYS 531 N -2.27 3.03 0.06 0.00 1.02 -1.26 -4.74 119.74 115.58 3ias s LYS 531 Ca 0.16 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.27 3ias s LYS 531 Cb -0.09 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3ias s LYS 531 CO 0.07 -0.10 -0.10 0.08 -0.92 0.00 0.00 175.35 174.37 3ias s VAL 532 N -2.32 0.78 -0.41 3.17 1.01 -0.62 -1.86 120.40 120.15 3ias s VAL 532 Ca 0.48 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 3ias s VAL 532 Cb -0.10 -0.84 0.09 0.00 0.00 0.00 0.00 36.38 35.53 3ias s VAL 532 CO 0.33 -0.34 0.22 -0.76 0.00 0.00 0.00 175.10 174.55 3ias s LEU 533 N -1.71 5.12 -0.69 3.92 1.43 -0.21 -2.26 118.68 124.29 3ias s LEU 533 Ca -0.06 -1.74 -0.27 0.00 -1.03 0.00 0.00 54.13 51.03 3ias s LEU 533 Cb -0.09 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.24 3ias s LEU 533 CO 0.01 -0.53 1.48 0.00 0.23 0.00 0.00 176.35 177.54 3ias s ALA 534 N 1.28 2.55 -0.45 4.21 0.00 -1.26 -2.61 121.76 125.48 3ias s ALA 534 Ca 0.04 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 3ias s ALA 534 Cb -0.23 -4.27 -0.20 0.00 0.00 0.00 0.00 23.12 18.42 3ias s ALA 534 CO -0.01 -3.50 3.21 -1.33 0.00 0.00 0.00 175.76 174.13 3ias n MET 535 N 9.30 2.31 -1.44 0.00 2.81 -0.65 -4.83 117.12 124.62 3ias n MET 535 Ca 0.09 -1.26 -0.41 0.00 -1.81 0.00 0.00 57.70 54.31 3ias n MET 535 Cb 0.50 -2.19 0.01 0.00 -0.71 0.00 0.00 33.22 30.83 3ias n MET 535 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3ias n THR 536 N 2.89 1.76 1.61 2.03 -2.24 -1.26 -4.50 114.28 114.56 3ias n THR 536 Ca 0.50 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 3ias n THR 536 Cb 0.66 -0.55 0.61 0.00 -2.10 0.00 0.00 70.33 68.95 3ias n THR 536 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3ias n PRO 537 N 0.50 1.51 -4.05 -0.78 -0.05 -1.26 -4.57 135.00 126.31 3ias n PRO 537 Ca 0.11 -0.74 -0.35 0.00 -0.05 0.00 0.00 63.50 62.47 3ias n PRO 537 Cb 0.42 -1.48 -0.12 0.00 -0.05 0.00 0.00 33.50 32.27 3ias n PRO 537 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ias s ALA 538 N -1.99 3.05 0.08 0.55 0.00 -1.26 -4.35 121.76 117.83 3ias s ALA 538 Ca 0.40 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 3ias s ALA 538 Cb 0.21 -1.79 -0.16 0.00 0.00 0.00 0.00 23.12 21.38 3ias s ALA 538 CO 0.34 -0.17 1.66 0.00 0.00 0.00 0.00 175.76 177.59 3ias h ALA 539 N 7.53 -0.55 -0.99 0.00 0.00 -1.83 -2.52 119.26 120.89 3ias h ALA 539 Ca -0.36 -0.11 -0.63 0.00 0.00 0.00 0.00 54.91 53.81 3ias h ALA 539 Cb 1.18 0.26 -0.30 0.00 0.00 0.00 0.00 17.79 18.93 3ias h ALA 539 CO 0.61 -0.82 0.79 -1.71 0.00 0.00 0.00 179.25 178.12 3ias n ASN 540 N -5.35 6.60 0.30 0.00 5.15 -0.23 -4.08 115.26 117.65 3ias n ASN 540 Ca -0.10 -3.74 -0.17 0.00 -0.60 0.00 0.00 54.58 49.96 3ias n ASN 540 Cb 0.25 -0.93 -0.09 0.00 -0.53 0.00 0.00 39.78 38.49 3ias n ASN 540 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ias h ALA 541 N 1.73 -0.93 0.00 5.20 0.00 -1.64 0.11 119.26 123.73 3ias h ALA 541 Ca 0.61 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 3ias h ALA 541 Cb 1.37 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 3ias h ALA 541 CO 1.45 -1.05 -0.00 -0.09 0.00 0.00 0.00 179.25 179.56 3ias h ARG 542 N -0.89 0.00 0.12 0.00 9.65 -1.85 -1.33 114.38 120.09 3ias h ARG 542 Ca -0.06 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.53 3ias h ARG 542 Cb 0.75 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.33 3ias h ARG 542 CO 0.00 0.00 -1.50 0.78 2.80 0.00 0.00 179.97 182.06 3ias h GLY 543 N 0.10 0.29 2.00 2.80 0.00 -1.55 -3.17 103.07 103.54 3ias h GLY 543 Ca -0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.49 3ias h GLY 543 CO 0.00 0.66 -0.41 1.41 0.00 0.00 0.00 176.54 178.20 3ias h LEU 544 N -0.24 0.00 -0.81 3.11 3.38 -0.60 -2.73 115.31 117.41 3ias h LEU 544 Ca -0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3ias h LEU 544 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 3ias h LEU 544 CO 0.07 0.41 -0.38 -0.33 0.09 0.00 0.00 178.44 178.30 3ias h GLU 545 N 0.00 0.43 0.00 1.13 5.08 -1.39 -2.20 114.58 117.63 3ias h GLU 545 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3ias h GLU 545 Cb 0.80 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3ias h GLU 545 CO 0.05 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.81 3ias h ALA 546 N 1.23 1.00 0.00 3.43 0.00 -1.45 -2.90 119.26 120.57 3ias h ALA 546 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ias h ALA 546 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ias h ALA 546 CO 0.07 0.00 -1.23 -1.33 0.00 0.00 0.00 179.25 176.76 3ias n MET 547 N -2.48 0.25 -1.99 0.00 2.81 -0.95 -4.99 117.12 109.77 3ias n MET 547 Ca 0.02 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3ias n MET 547 Cb 0.27 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 3ias n MET 547 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ias n GLY 548 N 1.44 0.86 1.78 3.03 0.00 -0.95 -4.80 105.19 106.55 3ias n GLY 548 Ca 0.02 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 3ias n GLY 548 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ias n VAL 549 N -2.57 2.53 -4.25 1.61 0.31 -0.87 -4.86 118.33 110.24 3ias n VAL 549 Ca 0.00 -1.37 -0.35 0.00 -0.01 0.00 0.00 64.34 62.61 3ias n VAL 549 Cb 0.43 -1.25 -0.09 0.00 -0.91 0.00 0.00 33.84 32.02 3ias n VAL 549 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ias s LEU 550 N -1.54 3.75 0.82 7.52 1.02 -1.25 -3.42 118.68 125.58 3ias s LEU 550 Ca 0.26 0.19 -0.14 0.00 0.02 0.00 0.00 54.13 54.47 3ias s LEU 550 Cb 0.21 -1.88 0.05 0.00 0.02 0.00 0.00 46.19 44.59 3ias s LEU 550 CO 0.01 0.36 0.90 -0.81 0.02 0.00 0.00 176.35 176.83 3ias n PRO 551 N 2.30 0.09 0.00 1.29 -0.04 -0.57 -4.69 135.00 133.38 3ias n PRO 551 Ca -0.19 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 3ias n PRO 551 Cb 0.54 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 3ias n PRO 551 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ias n GLY 552 N 0.96 1.74 0.06 0.55 0.00 0.10 -4.97 105.19 103.63 3ias n GLY 552 Ca 0.11 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3ias n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 553 N -1.14 0.04 -2.34 4.61 0.00 -1.96 -3.36 119.26 115.11 3ias h ALA 553 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ias h ALA 553 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ias h ALA 553 CO 0.00 -0.31 0.00 1.17 0.00 0.00 0.00 179.25 180.11 3ias n LYS 554 N -4.92 0.00 0.00 0.00 3.00 -1.26 -4.97 118.16 110.01 3ias n LYS 554 Ca -0.07 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 3ias n LYS 554 Cb 0.17 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 34.09 3ias n LYS 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ias n GLY 555 N -1.00 -0.93 1.04 3.14 0.00 -1.26 -5.10 105.19 101.09 3ias n GLY 555 Ca 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 3ias n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 556 N 0.00 0.13 -2.66 4.61 0.00 -1.26 -4.82 120.51 116.51 3ias n ALA 556 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 3ias n ALA 556 Cb 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 18.79 3ias n ALA 556 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ias n SER 557 N 2.87 0.39 0.31 0.00 3.41 -1.25 -4.54 113.62 114.81 3ias n SER 557 Ca 0.20 -1.30 0.21 0.00 -0.26 0.00 0.00 58.87 57.71 3ias n SER 557 Cb 0.01 -0.12 1.01 0.00 -0.26 0.00 0.00 64.21 64.85 3ias n SER 557 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3ias h TRP 558 N -0.21 0.00 -0.01 7.33 5.08 -1.91 -2.10 115.95 124.13 3ias h TRP 558 Ca -0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.90 3ias h TRP 558 Cb 0.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.44 3ias h TRP 558 CO 0.00 0.00 -0.12 -0.40 -1.28 0.00 0.00 178.44 176.64 3ias n ASP 559 N -3.09 1.24 -4.55 0.11 5.75 -1.26 -4.63 116.55 110.12 3ias n ASP 559 Ca -0.02 -1.12 -0.42 0.00 -0.01 0.00 0.00 54.79 53.23 3ias n ASP 559 Cb 0.17 0.34 -0.08 0.00 -1.03 0.00 0.00 41.12 40.52 3ias n ASP 559 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ias s GLU 560 N -1.03 3.54 -1.18 0.11 2.02 -0.79 -4.56 118.70 116.81 3ias s GLU 560 Ca 0.07 -0.20 -0.22 0.00 0.02 0.00 0.00 54.97 54.65 3ias s GLU 560 Cb 0.07 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 3ias s GLU 560 CO 0.17 -0.73 1.86 -1.25 0.02 0.00 0.00 175.26 175.33 3ias s PRO 561 N 2.49 2.96 -0.01 0.39 0.04 -1.26 -3.86 135.00 135.75 3ias s PRO 561 Ca 0.20 -1.29 -0.02 0.00 0.04 0.00 0.00 61.00 59.93 3ias s PRO 561 Cb -0.15 -5.31 -0.01 0.00 0.04 0.00 0.00 34.50 29.07 3ias s PRO 561 CO 0.14 -3.36 -0.03 0.41 0.04 0.00 0.00 177.00 174.20 3ias n GLY 562 N 5.87 -0.30 3.24 0.56 0.00 -1.26 -5.01 105.19 108.29 3ias n GLY 562 Ca 0.45 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 3ias n GLY 562 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 563 N -2.74 -4.39 -0.04 4.61 0.00 -1.26 -5.00 120.51 111.69 3ias n ALA 563 Ca -0.01 -1.31 -0.05 0.00 0.00 0.00 0.00 53.44 52.06 3ias n ALA 563 Cb 0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.04 3ias n ALA 563 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ias n LEU 564 N -1.03 2.68 -4.09 0.00 7.94 -1.07 -4.78 117.00 116.65 3ias n LEU 564 Ca 0.00 -0.04 -0.32 0.00 -1.11 0.00 0.00 56.01 54.54 3ias n LEU 564 Cb 0.64 -0.23 -0.15 0.00 0.53 0.00 0.00 43.42 44.20 3ias n LEU 564 CO 0.51 0.58 -0.48 -0.31 -1.11 0.00 0.00 177.39 176.58 3ias s TYR 565 N -2.16 3.09 0.05 1.96 2.02 -0.80 -0.95 117.35 120.57 3ias s TYR 565 Ca -0.10 -2.08 0.03 0.00 -0.37 0.00 0.00 57.07 54.55 3ias s TYR 565 Cb 0.03 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 3ias s TYR 565 CO 0.19 -0.85 -0.09 0.00 -1.57 0.00 0.00 175.55 173.23 3ias s ALA 566 N 1.17 0.68 -0.17 3.71 0.00 -0.84 0.10 121.76 126.41 3ias s ALA 566 Ca -0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 3ias s ALA 566 Cb -0.17 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3ias s ALA 566 CO -0.08 0.01 0.11 -0.47 0.00 0.00 0.00 175.76 175.33 3ias s TYR 567 N -1.40 3.42 -0.05 0.00 5.04 0.20 -1.84 117.35 122.73 3ias s TYR 567 Ca -0.08 0.33 0.06 0.00 -2.44 0.00 0.00 57.07 54.94 3ias s TYR 567 Cb -0.10 -2.07 -0.02 0.00 0.35 0.00 0.00 41.96 40.13 3ias s TYR 567 CO 0.01 0.40 -0.24 0.71 -1.34 0.00 0.00 175.55 175.08 3ias s TYR 568 N -0.07 2.44 -0.55 4.97 2.02 0.10 -0.82 117.35 125.44 3ias s TYR 568 Ca 0.09 -0.56 0.16 0.00 -0.37 0.00 0.00 57.07 56.39 3ias s TYR 568 Cb -0.12 -1.57 0.61 0.00 -0.40 0.00 0.00 41.96 40.48 3ias s TYR 568 CO 0.00 -0.11 1.53 0.41 -1.57 0.00 0.00 175.55 175.81 3ias n GLY 569 N 2.72 3.29 3.60 0.71 0.00 0.58 0.21 105.19 116.30 3ias n GLY 569 Ca -0.17 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.00 3ias n GLY 569 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ias s PHE 570 N -2.29 -0.04 -0.35 1.61 -0.71 -1.26 -4.17 117.98 110.76 3ias s PHE 570 Ca 0.45 -0.04 -0.26 0.00 -1.04 0.00 0.00 56.93 56.04 3ias s PHE 570 Cb 0.32 0.53 0.01 0.00 -1.21 0.00 0.00 43.02 42.68 3ias s PHE 570 CO 0.16 -0.21 0.92 0.08 -1.34 0.00 0.00 175.22 174.83 3ias s VAL 571 N -2.33 4.61 0.93 -2.49 1.01 -1.26 -4.92 120.40 115.95 3ias s VAL 571 Ca 0.14 1.25 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 3ias s VAL 571 Cb 0.05 -4.31 0.21 0.00 0.00 0.00 0.00 36.38 32.33 3ias s VAL 571 CO -0.05 -0.48 1.27 -2.84 0.00 0.00 0.00 175.10 173.00 3ias s PRO 572 N 3.41 0.65 0.39 2.72 0.02 -1.26 -5.02 135.00 135.90 3ias s PRO 572 Ca 0.38 -0.71 -0.28 0.00 0.02 0.00 0.00 61.00 60.41 3ias s PRO 572 Cb -0.12 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.34 3ias s PRO 572 CO 0.17 -2.33 1.45 -1.25 -0.33 0.00 0.00 177.00 174.71 3ias s PRO 573 N -5.76 4.06 0.50 5.54 0.04 -1.26 -4.88 135.00 133.24 3ias s PRO 573 Ca 0.74 2.49 0.25 0.00 0.04 0.00 0.00 61.00 64.52 3ias s PRO 573 Cb -0.03 -2.92 1.33 0.00 0.04 0.00 0.00 34.50 32.92 3ias s PRO 573 CO 0.52 -0.54 1.94 1.49 0.04 0.00 0.00 177.00 180.44 3ias h GLU 574 N 2.91 0.11 -0.21 4.56 4.81 -1.87 -1.38 114.58 123.52 3ias h GLU 574 Ca -0.51 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 3ias h GLU 574 Cb 1.24 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3ias h GLU 574 CO 0.64 0.07 0.07 1.49 -0.73 0.00 0.00 179.01 180.56 3ias h GLU 575 N 0.12 0.28 0.00 1.92 4.57 -1.90 -2.70 114.58 116.88 3ias h GLU 575 Ca 0.34 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.37 3ias h GLU 575 Cb 1.19 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 3ias h GLU 575 CO -0.04 0.25 -0.58 0.00 -1.18 0.00 0.00 179.01 177.46 3ias h ALA 576 N 1.80 0.70 0.06 2.92 0.00 -1.49 -3.36 119.26 119.89 3ias h ALA 576 Ca 0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ias h ALA 576 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ias h ALA 576 CO -0.01 0.72 -0.03 -0.07 0.00 0.00 0.00 179.25 179.87 3ias h LEU 577 N 0.00 -0.07 -6.57 0.00 -0.00 -1.56 -3.43 115.31 103.69 3ias h LEU 577 Ca -0.01 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 57.23 3ias h LEU 577 Cb 1.32 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 3ias h LEU 577 CO 0.07 0.07 0.57 1.17 -0.00 0.00 0.00 178.44 180.32 3ias n LYS 578 N -2.86 0.00 0.00 1.13 4.81 -1.10 -2.18 118.16 117.96 3ias n LYS 578 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 3ias n LYS 578 Cb 0.03 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3ias n LYS 578 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ias n GLY 579 N 3.27 2.32 1.85 3.14 0.00 -1.26 -4.99 105.19 109.52 3ias n GLY 579 Ca 0.25 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 3ias n GLY 579 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ias n LYS 580 N 0.00 0.00 -0.01 1.61 5.02 -0.93 -4.92 118.16 118.94 3ias n LYS 580 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3ias n LYS 580 Cb 0.00 -0.56 -0.12 0.00 -0.02 0.00 0.00 35.03 34.33 3ias n LYS 580 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ias h ARG 581 N 0.16 0.22 -3.76 1.97 3.08 -1.37 -3.46 114.38 111.22 3ias h ARG 581 Ca -0.21 -0.28 -0.34 0.00 0.07 0.00 0.00 59.98 59.22 3ias h ARG 581 Cb 0.81 0.09 -0.34 0.00 0.08 0.00 0.00 29.97 30.62 3ias h ARG 581 CO 0.26 1.04 -0.75 0.12 -1.07 0.00 0.00 179.97 179.57 3ias s PHE 582 N -2.84 0.34 -0.14 3.04 5.36 -1.10 -5.04 117.98 117.59 3ias s PHE 582 Ca -0.15 -0.02 -0.00 0.00 -0.96 0.00 0.00 56.93 55.80 3ias s PHE 582 Cb 0.01 -0.41 0.03 0.00 -0.34 0.00 0.00 43.02 42.31 3ias s PHE 582 CO 0.77 -0.12 -0.09 0.14 -1.46 0.00 0.00 175.22 174.45 3ias s VAL 583 N 0.93 1.25 -0.38 3.12 -7.23 -1.26 -1.98 120.40 114.86 3ias s VAL 583 Ca -0.10 -0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 3ias s VAL 583 Cb -0.13 -1.28 0.03 0.00 0.56 0.00 0.00 36.38 35.56 3ias s VAL 583 CO -0.01 0.32 0.21 0.68 -0.31 0.00 0.00 175.10 175.99 3ias s VAL 584 N 1.60 4.58 -0.42 1.32 -7.23 -0.76 -1.92 120.40 117.56 3ias s VAL 584 Ca 0.03 -0.87 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 3ias s VAL 584 Cb -0.14 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.27 3ias s VAL 584 CO -0.09 -0.25 0.38 -0.04 -0.31 0.00 0.00 175.10 174.80 3ias s MET 585 N 1.55 3.03 -1.25 4.82 -1.94 -0.44 0.03 119.30 125.11 3ias s MET 585 Ca 0.02 -0.93 -0.06 0.00 -1.71 0.00 0.00 55.69 53.01 3ias s MET 585 Cb -0.19 -3.99 0.18 0.00 2.01 0.00 0.00 34.83 32.83 3ias s MET 585 CO 0.07 -0.84 2.06 1.58 -0.01 0.00 0.00 175.02 177.88 3ias n HIS 586 N 5.39 2.67 -1.55 -0.03 -0.00 0.13 -1.50 115.22 120.33 3ias n HIS 586 Ca -0.09 -2.75 -0.13 0.00 0.46 0.00 0.00 57.72 55.21 3ias n HIS 586 Cb 0.47 -1.73 0.08 0.00 -0.12 0.00 0.00 29.99 28.69 3ias n HIS 586 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3ias n LEU 587 N 2.13 0.00 0.00 0.27 4.77 -1.17 -4.41 117.00 118.59 3ias n LEU 587 Ca 0.49 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3ias n LEU 587 Cb 0.29 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3ias n LEU 587 CO 0.71 -0.89 -0.46 -1.54 -1.33 0.00 0.00 177.39 173.88 3ias n SER 588 N -3.32 4.62 -4.28 -1.43 3.41 -1.26 -0.43 113.62 110.93 3ias n SER 588 Ca 0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.48 3ias n SER 588 Cb 0.26 0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 64.75 3ias n SER 588 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3ias s HIS 589 N -1.89 1.64 -0.61 7.33 3.76 -1.26 -1.45 115.29 122.81 3ias s HIS 589 Ca 0.00 -0.49 -0.28 0.00 -0.15 0.00 0.00 55.06 54.14 3ias s HIS 589 Cb 0.00 -0.85 0.03 0.00 1.11 0.00 0.00 32.58 32.87 3ias s HIS 589 CO 0.00 0.23 1.19 -1.17 -0.85 0.00 0.00 174.74 174.14 3ias s LEU 590 N -2.42 3.46 0.23 0.89 2.96 -1.26 -4.86 118.68 117.68 3ias s LEU 590 Ca 0.11 -0.04 -0.21 0.00 -0.22 0.00 0.00 54.13 53.76 3ias s LEU 590 Cb -0.06 -3.02 -0.08 0.00 0.50 0.00 0.00 46.19 43.52 3ias s LEU 590 CO 0.05 -1.53 0.76 -2.28 -1.32 0.00 0.00 176.35 172.03 3ias s HIS 591 N 5.01 3.69 0.36 5.38 5.65 -1.26 -4.98 115.29 129.13 3ias s HIS 591 Ca 0.40 1.47 0.04 0.00 0.25 0.00 0.00 55.06 57.22 3ias s HIS 591 Cb -0.08 -2.68 0.69 0.00 -1.18 0.00 0.00 32.58 29.33 3ias s HIS 591 CO 0.23 0.35 2.00 -1.35 -0.65 0.00 0.00 174.74 175.31 3ias h PRO 592 N 3.51 0.78 0.00 2.88 0.11 -1.99 -1.33 132.00 135.96 3ias h PRO 592 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ias h PRO 592 Cb 1.19 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ias h PRO 592 CO 0.65 0.51 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.88 3ias h LEU 593 N 0.80 0.00 0.00 2.35 -0.00 -1.98 -2.98 115.31 113.50 3ias h LEU 593 Ca 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 3ias h LEU 593 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 3ias h LEU 593 CO -0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 178.44 178.29 3ias h ALA 594 N 2.00 0.02 0.00 1.53 0.00 -1.64 -3.05 119.26 118.11 3ias h ALA 594 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3ias h ALA 594 Cb 0.01 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ias h ALA 594 CO 0.00 0.05 0.00 -0.85 0.00 0.00 0.00 179.25 178.45 3ias n GLU 595 N -4.64 0.36 0.00 0.00 0.28 -1.11 -0.06 120.64 115.48 3ias n GLU 595 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 3ias n GLU 595 Cb 0.37 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.23 3ias n GLU 595 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3ias n ARG 596 N -0.50 2.76 0.00 3.44 1.74 -1.18 -4.84 116.66 118.08 3ias n ARG 596 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ias n ARG 596 Cb 0.00 -0.21 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 3ias n ARG 596 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ias n TYR 597 N -0.40 0.00 -3.63 -1.55 4.02 -0.80 -5.09 117.16 109.72 3ias n TYR 597 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 3ias n TYR 597 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 3ias n TYR 597 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ias s ALA 598 N -0.18 3.76 -0.26 -0.72 0.00 0.92 -4.81 121.76 120.47 3ias s ALA 598 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 3ias s ALA 598 Cb 0.00 -2.22 -0.15 0.00 0.00 0.00 0.00 23.12 20.75 3ias s ALA 598 CO 0.00 0.57 -0.21 0.72 0.00 0.00 0.00 175.76 176.84 3ias n HIS 599 N 1.22 0.22 -3.89 0.00 8.25 -0.81 -4.80 115.22 115.40 3ias n HIS 599 Ca -0.11 0.08 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 3ias n HIS 599 Cb 0.53 -1.02 -0.16 0.00 1.12 0.00 0.00 29.99 30.45 3ias n HIS 599 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ias s VAL 600 N -2.49 1.18 -0.23 1.59 1.01 -0.93 -2.49 120.40 118.03 3ias s VAL 600 Ca -0.36 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 3ias s VAL 600 Cb 0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3ias s VAL 600 CO 0.54 0.06 0.06 -0.69 0.00 0.00 0.00 175.10 175.08 3ias s VAL 601 N 1.59 4.36 0.05 2.92 1.01 -0.27 -1.33 120.40 128.74 3ias s VAL 601 Ca -0.01 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3ias s VAL 601 Cb -0.16 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3ias s VAL 601 CO -0.07 0.37 -0.16 -0.76 0.00 0.00 0.00 175.10 174.48 3ias s LEU 602 N 1.30 2.72 0.06 3.92 1.02 -0.56 0.31 118.68 127.45 3ias s LEU 602 Ca 0.05 -0.41 -0.30 0.00 0.02 0.00 0.00 54.13 53.49 3ias s LEU 602 Cb -0.15 -1.58 -0.05 0.00 0.02 0.00 0.00 46.19 44.44 3ias s LEU 602 CO 0.03 0.24 1.04 -2.16 0.02 0.00 0.00 176.35 175.52 3ias s PRO 603 N -1.58 4.57 0.15 1.29 0.04 -1.26 -3.07 135.00 135.13 3ias s PRO 603 Ca 0.16 1.54 0.09 0.00 0.04 0.00 0.00 61.00 62.83 3ias s PRO 603 Cb -0.11 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 3ias s PRO 603 CO 0.07 -0.02 -0.21 0.00 0.04 0.00 0.00 177.00 176.87 3ias s ALA 604 N 0.66 2.11 0.54 8.56 0.00 0.43 -2.66 121.76 131.40 3ias s ALA 604 Ca 0.52 -1.45 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 3ias s ALA 604 Cb -0.24 -0.26 -0.07 0.00 0.00 0.00 0.00 23.12 22.55 3ias s ALA 604 CO 0.29 0.36 1.01 -1.25 0.00 0.00 0.00 175.76 176.17 3ias s PRO 605 N -2.41 3.74 0.69 0.00 0.04 -1.26 -4.37 135.00 131.43 3ias s PRO 605 Ca 0.14 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 3ias s PRO 605 Cb -0.08 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.37 3ias s PRO 605 CO 0.07 -0.45 1.08 0.95 0.04 0.00 0.00 177.00 178.68 3ias s THR 606 N -2.54 3.52 0.60 1.26 -4.23 -1.26 -4.89 115.64 108.10 3ias s THR 606 Ca 0.61 0.44 0.30 0.00 -1.18 0.00 0.00 61.69 61.86 3ias s THR 606 Cb -0.12 -3.48 0.36 0.00 1.34 0.00 0.00 72.50 70.60 3ias s THR 606 CO 0.32 -0.62 2.13 2.19 -0.54 0.00 0.00 174.62 178.11 3ias h PHE 607 N -0.60 0.00 -0.67 3.99 -5.15 -1.98 -1.05 116.94 111.48 3ias h PHE 607 Ca -0.45 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.28 3ias h PHE 607 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.39 3ias h PHE 607 CO 0.50 0.00 0.26 1.88 -2.00 0.00 0.00 178.31 178.95 3ias h TYR 608 N 0.00 1.03 -0.60 6.09 0.05 -1.91 -3.09 116.97 118.55 3ias h TYR 608 Ca 0.06 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ias h TYR 608 Cb 0.40 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3ias h TYR 608 CO 0.00 0.81 0.00 -0.85 -1.05 0.00 0.00 178.16 177.07 3ias n GLU 609 N -4.39 3.41 -0.17 4.88 0.28 -0.45 -2.03 120.64 122.18 3ias n GLU 609 Ca 0.05 -2.75 0.00 0.00 -0.16 0.00 0.00 57.16 54.30 3ias n GLU 609 Cb 0.18 -1.76 0.00 0.00 1.43 0.00 0.00 31.44 31.29 3ias n GLU 609 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ias n LYS 610 N 1.02 0.68 -3.70 3.44 5.02 -0.92 -4.55 118.16 119.14 3ias n LYS 610 Ca 0.24 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.39 3ias n LYS 610 Cb 0.79 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.71 3ias n LYS 610 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3ias s ARG 611 N -1.55 0.64 0.00 1.97 3.52 -1.26 -2.28 118.95 119.99 3ias s ARG 611 Ca 0.00 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 3ias s ARG 611 Cb 0.00 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 3ias s ARG 611 CO 0.00 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 3ias n GLY 612 N 2.24 0.97 3.68 8.12 0.00 -1.02 -4.96 105.19 114.23 3ias n GLY 612 Ca -0.16 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.64 3ias n GLY 612 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ias s HIS 613 N -1.27 2.80 0.20 1.61 3.76 -1.26 0.08 115.29 121.21 3ias s HIS 613 Ca 0.00 -0.18 0.04 0.00 -0.15 0.00 0.00 55.06 54.77 3ias s HIS 613 Cb 0.00 -1.27 -0.05 0.00 1.11 0.00 0.00 32.58 32.37 3ias s HIS 613 CO 0.00 0.58 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.90 3ias s LEU 614 N -3.54 2.36 -0.27 0.89 1.02 0.45 -0.30 118.68 119.30 3ias s LEU 614 Ca 0.31 -1.13 -0.02 0.00 0.02 0.00 0.00 54.13 53.31 3ias s LEU 614 Cb -0.07 -0.36 0.03 0.00 0.02 0.00 0.00 46.19 45.81 3ias s LEU 614 CO 0.20 -0.40 -0.04 -0.69 0.02 0.00 0.00 176.35 175.44 3ias s VAL 615 N -3.31 2.95 0.96 -1.59 1.01 -1.26 -1.38 120.40 117.78 3ias s VAL 615 Ca 0.24 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 3ias s VAL 615 Cb 0.04 -2.57 0.17 0.00 0.00 0.00 0.00 36.38 34.02 3ias s VAL 615 CO 0.06 0.09 1.12 0.21 0.00 0.00 0.00 175.10 176.59 3ias s ASN 616 N 1.31 2.55 0.00 3.32 3.84 0.35 -3.98 114.94 122.33 3ias s ASN 616 Ca -0.02 2.07 0.11 0.00 0.21 0.00 0.00 52.86 55.24 3ias s ASN 616 Cb -0.18 -2.52 0.51 0.00 -0.55 0.00 0.00 41.25 38.50 3ias s ASN 616 CO -0.03 -3.31 1.34 0.00 -2.79 0.00 0.00 177.10 172.31 3ias n LEU 617 N -4.36 0.00 -1.07 3.21 -0.00 -0.83 -0.18 117.00 113.76 3ias n LEU 617 Ca 0.10 0.45 0.08 0.00 -0.00 0.00 0.00 56.01 56.65 3ias n LEU 617 Cb 0.52 -0.45 0.26 0.00 -0.00 0.00 0.00 43.42 43.75 3ias n LEU 617 CO 0.51 -0.28 0.72 -1.84 -0.00 0.00 0.00 177.39 176.50 3ias n GLU 618 N -1.45 3.17 -0.99 1.47 0.28 -1.26 -4.23 120.64 117.62 3ias n GLU 618 Ca 0.03 -2.56 0.00 0.00 -0.16 0.00 0.00 57.16 54.48 3ias n GLU 618 Cb 0.12 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.37 3ias n GLU 618 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ias n GLY 619 N 0.60 1.00 3.77 -1.84 0.00 0.75 -4.53 105.19 104.94 3ias n GLY 619 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3ias n GLY 619 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ias s ARG 620 N -0.00 4.41 -0.25 1.61 3.52 -1.25 -1.27 118.95 125.71 3ias s ARG 620 Ca 0.00 1.81 -0.09 0.00 -0.13 0.00 0.00 55.73 57.32 3ias s ARG 620 Cb 0.00 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 3ias s ARG 620 CO 0.00 0.01 0.12 0.14 -0.81 0.00 0.00 175.30 174.76 3ias s VAL 621 N -1.29 4.82 0.00 7.11 -7.23 -0.48 0.13 120.40 123.46 3ias s VAL 621 Ca 0.50 -0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.73 3ias s VAL 621 Cb -0.31 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.34 3ias s VAL 621 CO 0.40 0.32 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.56 3ias s LEU 622 N 1.50 2.53 0.74 1.32 1.43 -0.48 -0.51 118.68 125.21 3ias s LEU 622 Ca 0.06 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3ias s LEU 622 Cb -0.15 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.62 3ias s LEU 622 CO 0.06 0.30 1.09 -2.16 0.23 0.00 0.00 176.35 175.87 3ias s PRO 623 N -1.05 2.54 -0.11 1.29 0.04 -1.26 -0.41 135.00 136.04 3ias s PRO 623 Ca 0.13 0.61 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 3ias s PRO 623 Cb -0.10 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.50 3ias s PRO 623 CO 0.02 -1.29 0.01 -0.51 0.04 0.00 0.00 177.00 175.27 3ias s LEU 624 N -5.56 0.77 0.41 -3.56 1.43 0.11 -3.75 118.68 108.53 3ias s LEU 624 Ca 0.59 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3ias s LEU 624 Cb -0.13 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.58 3ias s LEU 624 CO 0.53 -0.22 0.62 -0.44 0.23 0.00 0.00 176.35 177.07 3ias s SER 625 N 1.93 5.95 -0.25 2.29 0.01 -1.26 -2.45 113.70 119.92 3ias s SER 625 Ca 0.03 0.27 -0.10 0.00 1.31 0.00 0.00 55.95 57.46 3ias s SER 625 Cb -0.14 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 3ias s SER 625 CO -0.06 -0.58 0.14 -2.16 0.41 0.00 0.00 173.24 170.99 3ias s PRO 626 N -4.46 3.92 0.29 12.44 0.04 -0.96 -4.24 135.00 142.02 3ias s PRO 626 Ca 0.46 -0.35 -0.26 0.00 0.04 0.00 0.00 61.00 60.89 3ias s PRO 626 Cb -0.10 -3.51 -0.09 0.00 0.04 0.00 0.00 34.50 30.84 3ias s PRO 626 CO 0.37 -0.08 0.92 0.00 0.04 0.00 0.00 177.00 178.25 3ias s ALA 627 N 1.42 3.26 -0.27 8.56 0.00 -0.86 -4.94 121.76 128.93 3ias s ALA 627 Ca 0.07 0.51 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 3ias s ALA 627 Cb -0.15 -3.16 -0.18 0.00 0.00 0.00 0.00 23.12 19.63 3ias s ALA 627 CO 0.07 0.20 2.88 -2.30 0.00 0.00 0.00 175.76 176.61 3ias n PRO 628 N 0.82 1.87 -2.15 0.00 -0.02 -1.26 -4.67 135.00 129.59 3ias n PRO 628 Ca 0.00 -1.01 -0.27 0.00 -2.02 0.00 0.00 63.50 60.20 3ias n PRO 628 Cb 0.49 -2.05 0.14 0.00 -0.02 0.00 0.00 33.50 32.06 3ias n PRO 628 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ias s ILE 629 N 1.71 2.08 -1.08 4.25 1.01 -1.26 -3.63 121.20 124.28 3ias s ILE 629 Ca 0.53 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.77 3ias s ILE 629 Cb 0.23 -2.88 0.07 0.00 0.01 0.00 0.00 42.46 39.89 3ias s ILE 629 CO -0.01 0.00 1.48 -0.70 0.00 0.00 0.00 174.94 175.71 3ias s GLU 630 N -5.56 3.70 0.22 2.79 2.56 -0.21 -4.83 118.70 117.36 3ias s GLU 630 Ca 0.69 -1.43 -0.08 0.00 0.00 0.00 0.00 54.97 54.15 3ias s GLU 630 Cb -0.06 -5.34 0.26 0.00 2.00 0.00 0.00 34.13 30.99 3ias s GLU 630 CO 0.49 -2.16 1.84 -2.95 -0.56 0.00 0.00 175.26 171.93 3ias h ASN 631 N 9.12 0.75 0.00 -1.70 -1.07 -1.93 -3.49 115.58 117.26 3ias h ASN 631 Ca 0.25 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.63 3ias h ASN 631 Cb 0.98 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 37.08 3ias h ASN 631 CO 1.39 0.50 0.00 0.61 0.07 0.00 0.00 177.43 180.00 3ias n GLY 632 N -1.31 0.28 2.84 9.14 0.00 -1.26 -3.92 105.19 110.96 3ias n GLY 632 Ca 0.10 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 3ias n GLY 632 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ias n GLU 633 N 8.36 3.39 -4.26 1.61 1.02 -0.37 -5.00 120.64 125.39 3ias n GLU 633 Ca 0.00 -3.83 -0.23 0.00 -0.02 0.00 0.00 57.16 53.08 3ias n GLU 633 Cb 0.00 -2.31 -0.07 0.00 -0.02 0.00 0.00 31.44 29.04 3ias n GLU 633 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ias s ALA 634 N -4.11 3.23 0.04 0.62 0.00 -1.25 -4.62 121.76 115.66 3ias s ALA 634 Ca 0.49 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 3ias s ALA 634 Cb 0.38 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3ias s ALA 634 CO -0.34 0.27 0.02 -1.21 0.00 0.00 0.00 175.76 174.50 3ias s GLU 635 N -3.66 0.50 0.64 0.00 2.02 -1.09 -4.93 118.70 112.19 3ias s GLU 635 Ca 0.31 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 54.30 3ias s GLU 635 Cb -0.07 0.18 -0.01 0.00 0.10 0.00 0.00 34.13 34.34 3ias s GLU 635 CO 0.21 -0.10 1.12 0.20 0.02 0.00 0.00 175.26 176.71 3ias s GLY 636 N -2.13 2.27 0.42 -1.39 0.00 -1.26 -4.44 107.32 100.78 3ias s GLY 636 Ca -0.05 0.63 0.20 0.00 0.00 0.00 0.00 44.72 45.49 3ias s GLY 636 CO -0.05 0.99 1.55 0.00 0.00 0.00 0.00 173.10 175.58 3ias h ALA 637 N 0.24 1.19 -0.28 3.20 0.00 -1.96 0.39 119.26 122.03 3ias h ALA 637 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3ias h ALA 637 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3ias h ALA 637 CO 0.54 -0.19 0.04 1.25 0.00 0.00 0.00 179.25 180.89 3ias h LEU 638 N 0.00 0.38 0.00 0.00 5.85 -1.93 0.11 115.31 119.72 3ias h LEU 638 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3ias h LEU 638 Cb 0.50 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ias h LEU 638 CO 0.00 0.41 -0.30 -0.61 -0.34 0.00 0.00 178.44 177.60 3ias h GLN 639 N 0.41 0.00 -0.98 1.25 5.75 -1.16 -3.28 115.11 117.10 3ias h GLN 639 Ca 0.10 0.00 0.30 0.00 -0.15 0.00 0.00 58.65 58.90 3ias h GLN 639 Cb 0.21 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 28.61 3ias h GLN 639 CO 0.00 0.00 0.49 0.28 -2.65 0.00 0.00 178.83 176.95 3ias h VAL 640 N -0.95 0.30 0.39 2.39 2.07 -1.55 0.32 116.25 119.22 3ias h VAL 640 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3ias h VAL 640 Cb 0.30 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3ias h VAL 640 CO 0.00 0.05 -0.19 -0.07 0.02 0.00 0.00 177.57 177.39 3ias h LEU 641 N 0.30 -0.44 -1.29 2.57 3.38 -0.95 -0.29 115.31 118.58 3ias h LEU 641 Ca 0.69 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.74 3ias h LEU 641 Cb 1.55 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.34 3ias h LEU 641 CO -0.62 -0.22 0.57 0.00 0.09 0.00 0.00 178.44 178.26 3ias h ALA 642 N -0.08 1.81 -0.28 1.53 0.00 -0.95 0.60 119.26 121.89 3ias h ALA 642 Ca -0.05 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3ias h ALA 642 Cb 0.47 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ias h ALA 642 CO 0.09 -0.04 -0.31 1.25 0.00 0.00 0.00 179.25 180.23 3ias h LEU 643 N 0.71 0.75 0.00 0.00 5.85 -0.28 -2.69 115.31 119.64 3ias h LEU 643 Ca 0.44 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3ias h LEU 643 Cb 0.67 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3ias h LEU 643 CO -0.20 1.09 0.00 -0.11 -0.34 0.00 0.00 178.44 178.88 3ias n LEU 644 N -4.25 0.00 0.05 2.25 0.00 -0.14 -2.87 117.00 112.04 3ias n LEU 644 Ca -0.04 0.34 -0.11 0.00 0.00 0.00 0.00 56.01 56.20 3ias n LEU 644 Cb 0.49 -0.34 -0.13 0.00 0.00 0.00 0.00 43.42 43.44 3ias n LEU 644 CO 0.45 -0.04 -0.13 0.00 0.00 0.00 0.00 177.39 177.68 3ias h ALA 645 N 3.18 0.38 0.15 1.96 0.00 -0.57 -3.34 119.26 121.02 3ias h ALA 645 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.84 3ias h ALA 645 Cb 0.30 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ias h ALA 645 CO 0.00 1.25 -0.07 0.93 0.00 0.00 0.00 179.25 181.35 3ias h GLU 646 N 0.03 -0.20 0.00 0.00 5.08 -1.37 -2.58 114.58 115.53 3ias h GLU 646 Ca -0.14 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3ias h GLU 646 Cb 1.91 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.20 3ias h GLU 646 CO 0.14 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 3ias n ALA 647 N -2.41 1.63 -0.00 3.43 0.00 -1.21 -1.90 120.51 120.04 3ias n ALA 647 Ca -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 3ias n ALA 647 Cb 0.24 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 3ias n ALA 647 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ias n LEU 648 N -0.66 0.81 0.00 0.00 4.77 -1.17 -4.52 117.00 116.22 3ias n LEU 648 Ca 0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3ias n LEU 648 Cb 0.00 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3ias n LEU 648 CO 0.01 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3ias n GLY 649 N 3.08 -0.96 3.75 -0.72 0.00 -0.80 -4.97 105.19 104.57 3ias n GLY 649 Ca -0.02 0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 3ias n GLY 649 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ias n VAL 650 N 0.00 1.29 -2.19 1.61 0.31 -1.25 -4.67 118.33 113.43 3ias n VAL 650 Ca 0.00 -0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 63.59 3ias n VAL 650 Cb 0.00 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 3ias n VAL 650 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ias s ARG 651 N -0.94 4.32 0.86 5.55 1.04 -1.26 -4.04 118.95 124.47 3ias s ARG 651 Ca 0.61 2.03 -0.11 0.00 -1.04 0.00 0.00 55.73 57.23 3ias s ARG 651 Cb -0.50 -3.34 0.11 0.00 -2.04 0.00 0.00 34.95 29.18 3ias s ARG 651 CO 0.53 -0.46 1.15 -1.25 -0.04 0.00 0.00 175.30 175.23 3ias s PRO 652 N 1.43 1.41 0.21 3.89 0.04 -1.26 -4.97 135.00 135.75 3ias s PRO 652 Ca 0.64 1.54 0.24 0.00 0.04 0.00 0.00 61.00 63.47 3ias s PRO 652 Cb -0.35 -1.77 0.46 0.00 0.04 0.00 0.00 34.50 32.87 3ias s PRO 652 CO 0.29 -2.34 1.49 -1.35 0.04 0.00 0.00 177.00 175.13 3ias h PRO 653 N -1.46 0.00 -5.14 0.56 0.11 -1.95 -3.46 132.00 120.66 3ias h PRO 653 Ca -0.44 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.01 3ias h PRO 653 Cb 1.27 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.08 3ias h PRO 653 CO 0.44 0.00 -0.79 -0.06 -0.21 0.00 0.00 178.00 177.39 3ias s PHE 654 N -3.18 2.83 0.00 0.65 0.40 -1.26 -4.95 117.98 112.48 3ias s PHE 654 Ca 0.07 -1.05 0.00 0.00 -0.60 0.00 0.00 56.93 55.35 3ias s PHE 654 Cb 0.11 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.70 3ias s PHE 654 CO 0.68 -0.50 0.00 0.54 0.70 0.00 0.00 175.22 176.64 3ias n ARG 655 N 4.24 0.00 -2.70 0.44 1.74 -1.26 -4.73 116.66 114.38 3ias n ARG 655 Ca -0.19 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.78 3ias n ARG 655 Cb 0.51 -0.21 -0.01 0.00 -1.02 0.00 0.00 32.46 31.73 3ias n ARG 655 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3ias n LEU 656 N -1.94 0.00 -0.01 0.55 -0.00 -1.26 -4.57 117.00 109.78 3ias n LEU 656 Ca 0.00 -1.17 -0.13 0.00 -0.00 0.00 0.00 56.01 54.71 3ias n LEU 656 Cb 0.00 0.06 -0.10 0.00 -0.00 0.00 0.00 43.42 43.38 3ias n LEU 656 CO 0.00 -0.29 0.56 -0.74 -0.00 0.00 0.00 177.39 176.92 3ias h HIS 657 N 0.81 -0.04 -0.97 1.47 -0.00 -1.99 -1.39 115.15 113.04 3ias h HIS 657 Ca -0.15 -0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.46 3ias h HIS 657 Cb 0.50 0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 27.85 3ias h HIS 657 CO 0.00 0.51 0.65 1.25 -0.00 0.00 0.00 177.93 180.34 3ias h LEU 658 N -0.63 0.34 0.01 0.26 6.46 -2.01 0.76 115.31 120.50 3ias h LEU 658 Ca -0.00 0.05 -0.31 0.00 -0.12 0.00 0.00 57.88 57.49 3ias h LEU 658 Cb 0.57 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.44 3ias h LEU 658 CO 0.01 0.10 -1.84 -0.62 -0.62 0.00 0.00 178.44 175.47 3ias n GLU 659 N -4.49 0.65 0.18 1.25 -0.58 -1.23 -3.91 120.64 112.51 3ias n GLU 659 Ca 0.22 0.25 0.02 0.00 -0.42 0.00 0.00 57.16 57.23 3ias n GLU 659 Cb 0.84 -1.74 0.34 0.00 -0.57 0.00 0.00 31.44 30.30 3ias n GLU 659 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ias h ALA 660 N 0.94 1.31 -0.72 0.62 0.00 0.07 -2.91 119.26 118.59 3ias h ALA 660 Ca -0.34 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 54.32 3ias h ALA 660 Cb 2.05 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.70 3ias h ALA 660 CO 0.07 0.50 0.32 1.96 0.00 0.00 0.00 179.25 182.10 3ias h GLN 661 N 0.00 0.50 -0.81 0.00 1.08 -1.04 -1.52 115.11 113.32 3ias h GLN 661 Ca -0.00 -0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.31 3ias h GLN 661 Cb 0.72 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.98 3ias h GLN 661 CO 0.05 0.33 0.53 0.87 -0.95 0.00 0.00 178.83 179.67 3ias h LYS 662 N 0.52 0.55 0.00 1.46 1.57 -1.68 -0.77 116.57 118.21 3ias h LYS 662 Ca 0.37 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 3ias h LYS 662 Cb 0.48 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3ias h LYS 662 CO -0.33 0.36 -0.11 0.00 -0.57 0.00 0.00 179.45 178.80 3ias h ALA 663 N 1.62 0.93 0.09 3.86 0.00 -1.40 -1.46 119.26 122.90 3ias h ALA 663 Ca 0.40 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 3ias h ALA 663 Cb 0.75 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ias h ALA 663 CO -0.16 0.14 -1.07 -0.07 0.00 0.00 0.00 179.25 178.09 3ias h LEU 664 N 0.00 0.30 -0.73 0.00 3.38 -1.24 -3.05 115.31 113.97 3ias h LEU 664 Ca -0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 3ias h LEU 664 Cb 1.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3ias h LEU 664 CO 0.01 1.47 0.00 1.17 0.09 0.00 0.00 178.44 181.19 3ias n LYS 665 N -4.12 0.10 0.06 1.13 4.81 -0.36 -2.16 118.16 117.61 3ias n LYS 665 Ca -0.21 0.51 -0.04 0.00 -0.87 0.00 0.00 58.31 57.70 3ias n LYS 665 Cb 0.80 -1.76 -0.02 0.00 0.02 0.00 0.00 35.03 34.07 3ias n LYS 665 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ias h ALA 666 N 2.12 -0.25 0.00 3.14 0.00 -1.30 -3.26 119.26 119.70 3ias h ALA 666 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ias h ALA 666 Cb 0.10 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ias h ALA 666 CO 0.00 -0.23 0.06 0.54 0.00 0.00 0.00 179.25 179.62 3ias n ARG 667 N -4.92 0.00 -2.97 0.00 1.74 -0.92 -4.83 116.66 104.77 3ias n ARG 667 Ca -0.03 0.26 -0.12 0.00 -0.77 0.00 0.00 57.85 57.19 3ias n ARG 667 Cb 0.10 -1.56 0.06 0.00 -1.02 0.00 0.00 32.46 30.03 3ias n ARG 667 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ias n LYS 668 N -1.22 -4.45 -3.29 5.56 5.02 -0.99 -5.03 118.16 113.76 3ias n LYS 668 Ca 0.00 0.56 -0.39 0.00 -2.02 0.00 0.00 58.31 56.45 3ias n LYS 668 Cb 0.06 -4.72 -0.08 0.00 -0.02 0.00 0.00 35.03 30.28 3ias n LYS 668 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ias s VAL 669 N -3.23 5.11 0.96 -0.18 0.11 -1.09 -5.05 120.40 117.03 3ias s VAL 669 Ca 0.04 0.79 -0.14 0.00 -2.93 0.00 0.00 61.98 59.74 3ias s VAL 669 Cb -0.02 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 31.02 3ias s VAL 669 CO 0.48 0.13 0.02 -0.81 -3.33 0.00 0.00 175.10 171.58 3ias n PRO 670 N 5.32 -0.19 0.00 1.54 -0.04 -1.26 -4.63 135.00 135.74 3ias n PRO 670 Ca -0.06 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3ias n PRO 670 Cb 0.50 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3ias n PRO 670 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3ias n GLU 671 N -0.33 -0.66 -1.65 0.54 4.07 -1.26 -4.84 120.64 116.51 3ias n GLU 671 Ca 0.04 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.74 3ias n GLU 671 Cb 0.54 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.95 3ias n GLU 671 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ias n ALA 672 N -3.00 0.59 0.00 4.31 0.00 -1.26 -2.52 120.51 118.63 3ias n ALA 672 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3ias n ALA 672 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 3ias n ALA 672 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ias n MET 673 N -0.42 0.00 -1.03 0.00 2.81 0.33 -4.97 117.12 113.85 3ias n MET 673 Ca 0.10 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.68 3ias n MET 673 Cb 0.43 -1.00 0.13 0.00 -0.71 0.00 0.00 33.22 32.06 3ias n MET 673 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3ias s GLY 674 N -0.42 1.81 -0.15 3.03 0.00 -1.05 -4.50 107.32 106.04 3ias s GLY 674 Ca 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 44.72 45.22 3ias s GLY 674 CO 0.00 0.94 0.01 0.50 0.00 0.00 0.00 173.10 174.55 3ias s ARG 675 N -4.58 3.61 -0.39 2.90 0.52 -1.26 -1.38 118.95 118.37 3ias s ARG 675 Ca 0.66 -0.42 -0.16 0.00 -0.52 0.00 0.00 55.73 55.29 3ias s ARG 675 Cb -0.22 -3.00 0.01 0.00 0.52 0.00 0.00 34.95 32.26 3ias s ARG 675 CO 0.55 0.38 0.37 -1.17 0.02 0.00 0.00 175.30 175.44 3ias s LEU 676 N 0.03 4.79 -0.07 2.53 1.98 -0.40 -4.88 118.68 122.67 3ias s LEU 676 Ca 0.03 -0.60 -0.24 0.00 -2.89 0.00 0.00 54.13 50.43 3ias s LEU 676 Cb -0.13 -2.30 -0.03 0.00 0.66 0.00 0.00 46.19 44.39 3ias s LEU 676 CO 0.02 -0.46 0.74 -0.94 -1.89 0.00 0.00 176.35 173.82 3ias s SER 677 N 1.75 7.01 -0.30 3.68 1.04 -1.26 -4.85 113.70 120.77 3ias s SER 677 Ca 0.10 1.22 -0.09 0.00 0.48 0.00 0.00 55.95 57.66 3ias s SER 677 Cb -0.17 -2.43 0.18 0.00 0.10 0.00 0.00 66.02 63.70 3ias s SER 677 CO 0.12 -0.17 0.92 0.12 0.98 0.00 0.00 173.24 175.22 3ias s PHE 678 N 1.00 -0.84 0.50 5.02 5.36 -1.26 -5.17 117.98 122.60 3ias s PHE 678 Ca 0.39 0.87 0.07 0.00 -0.96 0.00 0.00 56.93 57.30 3ias s PHE 678 Cb -0.18 0.29 0.05 0.00 -0.34 0.00 0.00 43.02 42.83 3ias s PHE 678 CO 0.18 -0.46 0.69 1.03 -1.46 0.00 0.00 175.22 175.21 3ias s ARG 679 N 2.93 2.55 -0.30 10.12 0.52 -1.26 -4.75 118.95 128.76 3ias s ARG 679 Ca 0.06 -1.31 -0.12 0.00 -0.52 0.00 0.00 55.73 53.84 3ias s ARG 679 Cb -0.11 -2.66 0.17 0.00 0.52 0.00 0.00 34.95 32.87 3ias s ARG 679 CO -0.14 -0.59 0.96 -1.17 0.02 0.00 0.00 175.30 174.37 3ias s LEU 680 N -4.55 -0.64 -0.64 2.53 0.20 -1.21 -4.94 118.68 109.42 3ias s LEU 680 Ca 0.58 0.62 -0.06 0.00 0.69 0.00 0.00 54.13 55.96 3ias s LEU 680 Cb -0.08 1.63 0.17 0.00 -0.43 0.00 0.00 46.19 47.47 3ias s LEU 680 CO 0.36 -0.12 0.49 -0.54 -0.29 0.00 0.00 176.35 176.25 3ias s LYS 681 N 2.70 2.76 -0.29 1.98 1.02 -1.26 -3.91 119.74 122.74 3ias s LYS 681 Ca 0.01 -2.37 -0.21 0.00 0.02 0.00 0.00 55.97 53.43 3ias s LYS 681 Cb -0.09 -3.91 0.16 0.00 -0.52 0.00 0.00 37.83 33.47 3ias s LYS 681 CO -0.15 -1.20 1.16 -1.83 -0.92 0.00 0.00 175.35 172.41 3ias s GLU 682 N 0.26 0.26 -0.09 1.68 -1.05 -1.26 -5.18 118.70 113.33 3ias s GLU 682 Ca 0.15 0.38 -0.04 0.00 -0.15 0.00 0.00 54.97 55.31 3ias s GLU 682 Cb -0.19 0.09 0.04 0.00 -0.44 0.00 0.00 34.13 33.64 3ias s GLU 682 CO -0.04 -0.04 0.21 -0.48 0.95 0.00 0.00 175.26 175.85 3ias s LEU 683 N 0.66 0.50 -0.62 1.83 2.34 -1.26 -4.52 118.68 117.61 3ias s LEU 683 Ca -0.02 0.43 -0.07 0.00 0.06 0.00 0.00 54.13 54.54 3ias s LEU 683 Cb -0.04 0.58 0.16 0.00 -0.56 0.00 0.00 46.19 46.33 3ias s LEU 683 CO -0.12 -0.16 0.47 0.00 -1.06 0.00 0.00 176.35 175.48 3ias s ARG 684 N 1.28 2.73 1.20 1.48 1.70 -1.21 -5.07 118.95 121.06 3ias s ARG 684 Ca -0.09 -2.30 -0.17 0.00 -0.47 0.00 0.00 55.73 52.70 3ias s ARG 684 Cb -0.11 -3.91 0.28 0.00 -0.57 0.00 0.00 34.95 30.64 3ias s ARG 684 CO -0.07 -1.20 1.05 -1.25 -1.08 0.00 0.00 175.30 172.75 3ias s PRO 685 N 0.37 -1.19 -0.13 3.89 0.04 -1.26 -4.78 135.00 131.95 3ias s PRO 685 Ca 0.14 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 3ias s PRO 685 Cb -0.20 -1.57 0.12 0.00 0.04 0.00 0.00 34.50 32.89 3ias s PRO 685 CO -0.04 -3.76 0.95 0.21 0.04 0.00 0.00 177.00 174.40 3ias s LYS 686 N -5.05 0.68 0.67 4.56 2.20 -1.26 -5.08 119.74 116.46 3ias s LYS 686 Ca 0.69 0.09 -0.11 0.00 -0.36 0.00 0.00 55.97 56.28 3ias s LYS 686 Cb -0.15 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 3ias s LYS 686 CO 0.58 -0.23 1.05 -1.83 -0.36 0.00 0.00 175.35 174.57 3ias s GLU 687 N -1.42 3.19 -0.27 4.03 -1.05 -1.26 -4.90 118.70 117.03 3ias s GLU 687 Ca -0.02 0.78 0.00 0.00 -0.15 0.00 0.00 54.97 55.58 3ias s GLU 687 Cb -0.00 -2.03 0.05 0.00 -0.44 0.00 0.00 34.13 31.70 3ias s GLU 687 CO 0.01 -0.87 -0.07 1.03 0.95 0.00 0.00 175.26 176.31 3ias s ARG 688 N -5.15 2.44 -1.53 -4.83 1.81 -1.26 -5.03 118.95 105.40 3ias s ARG 688 Ca 0.57 -1.23 -0.11 0.00 -1.72 0.00 0.00 55.73 53.23 3ias s ARG 688 Cb -0.12 -2.99 -0.05 0.00 -0.45 0.00 0.00 34.95 31.34 3ias s ARG 688 CO 0.54 -0.54 2.69 0.36 -0.68 0.00 0.00 175.30 177.67 3ias n LYS 689 N 4.55 3.34 -1.53 3.54 2.85 -1.26 -4.92 118.16 124.73 3ias n LYS 689 Ca -0.15 -2.29 -0.13 0.00 -1.05 0.00 0.00 58.31 54.70 3ias n LYS 689 Cb 0.44 -2.94 -0.11 0.00 -0.65 0.00 0.00 35.03 31.77 3ias n LYS 689 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ias n GLY 690 N 3.77 -0.43 0.76 2.58 0.00 -1.26 -3.41 105.19 107.19 3ias n GLY 690 Ca 0.69 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.75 3ias n GLY 690 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 691 N 18.73 2.40 -2.66 4.61 0.00 -1.21 -5.01 120.51 137.36 3ias n ALA 691 Ca 0.38 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 3ias n ALA 691 Cb 0.47 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 3ias n ALA 691 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ias s PHE 692 N -2.24 2.95 -0.24 0.00 0.40 0.16 -3.46 117.98 115.55 3ias s PHE 692 Ca -0.09 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 3ias s PHE 692 Cb 0.02 -1.54 0.03 0.00 0.51 0.00 0.00 43.02 42.05 3ias s PHE 692 CO 0.13 0.46 -0.11 -0.47 0.70 0.00 0.00 175.22 175.93 3ias s TYR 693 N -1.26 3.05 -0.68 0.36 5.04 -0.34 -0.41 117.35 123.12 3ias s TYR 693 Ca 0.24 -1.80 -0.26 0.00 -2.44 0.00 0.00 57.07 52.81 3ias s TYR 693 Cb -0.12 -1.99 -0.02 0.00 0.35 0.00 0.00 41.96 40.18 3ias s TYR 693 CO 0.16 -0.79 1.84 -0.51 -1.34 0.00 0.00 175.55 174.91 3ias s LEU 694 N 1.25 3.26 -0.17 6.97 1.43 0.41 -0.74 118.68 131.09 3ias s LEU 694 Ca -0.01 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 3ias s LEU 694 Cb -0.17 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3ias s LEU 694 CO -0.07 -2.41 1.46 -0.60 0.23 0.00 0.00 176.35 174.96 3ias s ARG 695 N 6.93 4.07 0.12 1.70 3.52 0.29 -1.77 118.95 133.81 3ias s ARG 695 Ca 0.66 1.75 -0.35 0.00 -0.13 0.00 0.00 55.73 57.66 3ias s ARG 695 Cb -0.11 -3.91 -0.15 0.00 -1.56 0.00 0.00 34.95 29.23 3ias s ARG 695 CO 0.16 -0.94 1.52 -0.35 -0.81 0.00 0.00 175.30 174.88 3ias n PRO 696 N 7.10 1.83 -4.35 5.12 -0.04 -1.26 -1.10 135.00 142.30 3ias n PRO 696 Ca 0.16 0.66 -0.22 0.00 -0.04 0.00 0.00 63.50 64.06 3ias n PRO 696 Cb 0.45 -2.39 -0.11 0.00 -0.04 0.00 0.00 33.50 31.40 3ias n PRO 696 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ias s THR 697 N 1.00 1.89 -0.00 0.52 -4.23 -1.26 -4.73 115.64 108.83 3ias s THR 697 Ca 0.82 -1.96 -0.24 0.00 -1.18 0.00 0.00 61.69 59.13 3ias s THR 697 Cb -0.77 -1.89 -0.14 0.00 1.34 0.00 0.00 72.50 71.04 3ias s THR 697 CO 0.42 -0.31 1.00 -0.03 -0.54 0.00 0.00 174.62 175.16 3ias h MET 698 N 3.19 -0.74 -7.04 3.99 4.05 -1.83 -3.44 114.93 113.10 3ias h MET 698 Ca -0.42 0.05 -0.55 0.00 -0.28 0.00 0.00 59.70 58.50 3ias h MET 698 Cb 1.21 0.17 0.14 0.00 -0.80 0.00 0.00 31.60 32.31 3ias h MET 698 CO 0.51 -0.46 0.63 -1.58 0.23 0.00 0.00 176.91 176.25 3ias s TRP 699 N -4.32 2.29 0.23 1.39 0.52 -1.26 -4.96 118.94 112.83 3ias s TRP 699 Ca -0.13 1.34 0.01 0.00 0.02 0.00 0.00 56.10 57.34 3ias s TRP 699 Cb 0.01 -3.85 -0.04 0.00 -1.15 0.00 0.00 33.47 28.45 3ias s TRP 699 CO 0.40 -2.98 0.40 0.15 0.02 0.00 0.00 176.95 174.94 3ias s LYS 700 N -2.82 3.49 0.24 4.98 3.01 -1.26 -4.66 119.74 122.72 3ias s LYS 700 Ca 0.70 -0.45 -0.05 0.00 -1.01 0.00 0.00 55.97 55.16 3ias s LYS 700 Cb -0.42 -2.83 0.26 0.00 -1.01 0.00 0.00 37.83 33.83 3ias s LYS 700 CO 0.50 0.37 1.78 0.00 0.51 0.00 0.00 175.35 178.51 3ias h ALA 701 N 1.62 1.09 -0.02 5.17 0.00 -1.64 -2.99 119.26 122.49 3ias h ALA 701 Ca -0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3ias h ALA 701 Cb 1.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ias h ALA 701 CO 0.65 0.61 0.00 -2.39 0.00 0.00 0.00 179.25 178.13 3ias n HIS 702 N -4.26 0.06 0.67 0.00 1.44 -1.26 -3.38 115.22 108.49 3ias n HIS 702 Ca 0.05 -0.02 0.07 0.00 -2.01 0.00 0.00 57.72 55.81 3ias n HIS 702 Cb 0.23 -0.09 -0.07 0.00 0.12 0.00 0.00 29.99 30.18 3ias n HIS 702 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3ias n GLN 703 N -0.05 2.23 -0.64 -1.40 6.02 -1.13 -4.81 117.38 117.60 3ias n GLN 703 Ca 0.01 -0.14 -0.31 0.00 -0.01 0.00 0.00 57.00 56.55 3ias n GLN 703 Cb 0.24 -1.18 -0.06 0.00 1.02 0.00 0.00 30.24 30.26 3ias n GLN 703 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ias n ALA 704 N -1.13 2.32 -2.79 -1.58 0.00 -1.22 -4.53 120.51 111.60 3ias n ALA 704 Ca 0.03 -2.19 -0.15 0.00 0.00 0.00 0.00 53.44 51.13 3ias n ALA 704 Cb 0.24 -3.32 -0.12 0.00 0.00 0.00 0.00 19.45 16.25 3ias n ALA 704 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ias s VAL 705 N 5.33 0.74 0.00 0.00 1.01 -1.26 -4.57 120.40 121.65 3ias s VAL 705 Ca 0.46 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3ias s VAL 705 Cb 0.11 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3ias s VAL 705 CO 0.14 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.50 3ias n GLY 706 N 1.35 2.88 0.08 4.51 0.00 -1.26 -1.60 105.19 111.14 3ias n GLY 706 Ca -0.22 0.27 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 3ias n GLY 706 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ias h LYS 707 N 0.00 0.00 0.00 1.61 1.79 -1.93 -3.16 116.57 114.88 3ias h LYS 707 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ias h LYS 707 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3ias h LYS 707 CO 0.00 0.75 0.00 0.00 -1.08 0.00 0.00 179.45 179.12 3ias n ALA 708 N -2.39 2.16 -0.32 3.86 0.00 -0.63 -4.08 120.51 119.10 3ias n ALA 708 Ca -0.05 -0.10 0.19 0.00 0.00 0.00 0.00 53.44 53.48 3ias n ALA 708 Cb 0.94 -1.39 0.40 0.00 0.00 0.00 0.00 19.45 19.40 3ias n ALA 708 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3ias h GLN 709 N 0.00 0.34 0.09 0.00 4.15 -1.45 -2.11 115.11 116.12 3ias h GLN 709 Ca 0.00 -0.02 -0.33 0.00 0.77 0.00 0.00 58.65 59.07 3ias h GLN 709 Cb 0.30 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3ias h GLN 709 CO 0.00 0.22 -1.78 0.39 -1.93 0.00 0.00 178.83 175.73 3ias n GLU 710 N -5.07 0.70 0.00 1.69 -0.58 -1.26 -4.08 120.64 112.05 3ias n GLU 710 Ca 0.27 0.36 0.05 0.00 -0.42 0.00 0.00 57.16 57.42 3ias n GLU 710 Cb 0.84 -1.72 0.25 0.00 -0.57 0.00 0.00 31.44 30.24 3ias n GLU 710 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ias n ALA 711 N -3.13 1.70 -0.02 0.62 0.00 -0.93 -1.87 120.51 116.88 3ias n ALA 711 Ca -0.32 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.08 3ias n ALA 711 Cb 0.94 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 19.27 3ias n ALA 711 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias n ALA 712 N -1.17 2.10 -2.04 0.00 0.00 -0.84 -4.88 120.51 113.68 3ias n ALA 712 Ca 0.05 -0.96 -0.41 0.00 0.00 0.00 0.00 53.44 52.12 3ias n ALA 712 Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 3ias n ALA 712 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ias s ARG 713 N -0.89 4.68 0.75 0.00 3.52 -0.78 -4.73 118.95 121.49 3ias s ARG 713 Ca 0.05 1.61 -0.15 0.00 -0.13 0.00 0.00 55.73 57.11 3ias s ARG 713 Cb 0.03 -3.30 0.05 0.00 -1.56 0.00 0.00 34.95 30.17 3ias s ARG 713 CO 0.04 0.21 1.21 0.00 -0.81 0.00 0.00 175.30 175.94 3ias n ALA 714 N 2.23 0.32 -2.49 6.12 0.00 -1.26 -4.87 120.51 120.55 3ias n ALA 714 Ca 0.01 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 3ias n ALA 714 Cb 0.47 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 3ias n ALA 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3ias s GLU 715 N -3.81 1.72 -0.21 0.00 4.04 -1.26 -1.85 118.70 117.32 3ias s GLU 715 Ca 0.76 -1.95 -0.04 0.00 0.04 0.00 0.00 54.97 53.79 3ias s GLU 715 Cb -0.32 -1.11 0.10 0.00 0.02 0.00 0.00 34.13 32.82 3ias s GLU 715 CO 0.47 -0.12 0.27 -1.17 -1.84 0.00 0.00 175.26 172.87 3ias s LEU 716 N -3.54 -0.26 0.22 1.83 0.20 0.38 -1.75 118.68 115.76 3ias s LEU 716 Ca 0.35 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 55.16 3ias s LEU 716 Cb 0.08 0.60 -0.03 0.00 -0.43 0.00 0.00 46.19 46.41 3ias s LEU 716 CO 0.16 -0.32 0.26 0.26 -0.29 0.00 0.00 176.35 176.42 3ias s TRP 717 N 2.39 3.29 -0.15 5.38 0.51 -0.17 0.22 118.94 130.40 3ias s TRP 717 Ca 0.08 -0.04 -0.32 0.00 -2.12 0.00 0.00 56.10 53.70 3ias s TRP 717 Cb -0.16 -1.51 0.13 0.00 -0.81 0.00 0.00 33.47 31.13 3ias s TRP 717 CO -0.13 0.49 1.12 0.00 -0.51 0.00 0.00 176.95 177.92 3ias s ALA 718 N -1.98 -2.00 0.01 0.98 0.00 -1.05 -2.00 121.76 115.72 3ias s ALA 718 Ca 0.33 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.49 3ias s ALA 718 Cb -0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 3ias s ALA 718 CO 0.27 -0.54 1.29 -1.58 0.00 0.00 0.00 175.76 175.20 3ias s HIS 719 N -2.24 3.14 0.47 0.00 2.46 -1.25 -1.45 115.29 116.41 3ias s HIS 719 Ca 0.07 1.07 0.35 0.00 0.47 0.00 0.00 55.06 57.01 3ias s HIS 719 Cb -0.01 -3.54 1.50 0.00 -0.13 0.00 0.00 32.58 30.41 3ias s HIS 719 CO -0.05 -1.83 1.62 -1.35 -2.47 0.00 0.00 174.74 170.66 3ias h PRO 720 N 7.36 0.05 0.18 2.88 0.11 -1.93 0.77 132.00 141.42 3ias h PRO 720 Ca -0.38 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3ias h PRO 720 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ias h PRO 720 CO 0.87 0.03 -0.09 0.93 -0.21 0.00 0.00 178.00 179.54 3ias h GLU 721 N 0.05 -0.23 0.00 1.05 5.08 -1.98 -2.12 114.58 116.44 3ias h GLU 721 Ca 0.84 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 59.21 3ias h GLU 721 Cb 2.83 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 32.14 3ias h GLU 721 CO -0.33 -0.15 -0.06 1.79 -1.00 0.00 0.00 179.01 179.26 3ias h THR 722 N -0.27 0.45 0.04 1.13 1.35 -0.97 0.97 112.91 115.61 3ias h THR 722 Ca -0.02 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3ias h THR 722 Cb 0.18 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3ias h THR 722 CO 0.04 0.06 -0.02 0.00 -0.25 0.00 0.00 175.52 175.35 3ias h ALA 723 N 1.94 -0.05 -0.00 6.62 0.00 0.33 -2.66 119.26 125.44 3ias h ALA 723 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ias h ALA 723 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ias h ALA 723 CO 0.01 -0.38 -0.31 -2.13 0.00 0.00 0.00 179.25 176.44 3ias n ARG 724 N -4.97 0.35 0.17 0.00 0.63 -0.80 -2.16 116.66 109.88 3ias n ARG 724 Ca -0.08 -0.18 0.12 0.00 -0.92 0.00 0.00 57.85 56.79 3ias n ARG 724 Cb 0.17 -1.50 0.13 0.00 0.45 0.00 0.00 32.46 31.72 3ias n ARG 724 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ias h ALA 725 N 3.29 0.82 -0.43 5.13 0.00 -0.77 -3.05 119.26 124.25 3ias h ALA 725 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3ias h ALA 725 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3ias h ALA 725 CO 0.00 0.00 0.05 -1.91 0.00 0.00 0.00 179.25 177.39 3ias n GLU 726 N -2.86 3.39 -3.15 0.00 2.13 -1.01 -5.00 120.64 114.15 3ias n GLU 726 Ca 0.03 -3.00 -0.06 0.00 0.66 0.00 0.00 57.16 54.79 3ias n GLU 726 Cb 0.53 -2.01 0.02 0.00 0.27 0.00 0.00 31.44 30.25 3ias n GLU 726 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ias n ALA 727 N -0.27 -2.51 -3.59 4.31 0.00 -1.15 -5.03 120.51 112.27 3ias n ALA 727 Ca 0.28 0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 3ias n ALA 727 Cb 1.07 -2.76 -0.15 0.00 0.00 0.00 0.00 19.45 17.61 3ias n ALA 727 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ias s LEU 728 N -4.47 1.13 0.92 0.00 1.43 -0.92 -5.00 118.68 111.76 3ias s LEU 728 Ca 0.14 -1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 51.56 3ias s LEU 728 Cb -0.02 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.70 3ias s LEU 728 CO 0.75 -0.41 0.41 -2.65 0.23 0.00 0.00 176.35 174.68 3ias n PRO 729 N 4.92 -0.19 0.08 1.29 -0.02 -1.26 -4.33 135.00 135.48 3ias n PRO 729 Ca -0.02 -0.01 0.10 0.00 -2.02 0.00 0.00 63.50 61.54 3ias n PRO 729 Cb 0.41 -1.84 0.41 0.00 -0.02 0.00 0.00 33.50 32.46 3ias n PRO 729 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ias n GLU 730 N -1.50 0.12 -2.72 -0.52 2.13 -1.26 -3.47 120.64 113.41 3ias n GLU 730 Ca 0.07 0.39 -0.06 0.00 0.66 0.00 0.00 57.16 58.22 3ias n GLU 730 Cb 0.53 -1.74 0.05 0.00 0.27 0.00 0.00 31.44 30.56 3ias n GLU 730 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ias n GLY 731 N -0.18 1.60 3.90 8.31 0.00 -1.26 -4.49 105.19 113.07 3ias n GLY 731 Ca 0.02 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 3ias n GLY 731 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s ALA 732 N -2.73 3.93 -0.44 4.61 0.00 -1.23 -4.90 121.76 121.00 3ias s ALA 732 Ca 0.25 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 51.27 3ias s ALA 732 Cb 0.41 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.63 3ias s ALA 732 CO -0.01 0.72 0.74 -0.65 0.00 0.00 0.00 175.76 176.56 3ias s GLN 733 N -1.79 3.40 0.13 0.00 -1.52 -1.26 -2.13 119.66 116.49 3ias s GLN 733 Ca 0.26 -0.15 0.09 0.00 -1.95 0.00 0.00 55.36 53.61 3ias s GLN 733 Cb -0.13 -3.93 -0.04 0.00 -0.22 0.00 0.00 33.01 28.69 3ias s GLN 733 CO 0.16 -1.06 -0.14 0.08 -0.25 0.00 0.00 175.29 174.08 3ias s VAL 734 N 3.14 3.04 -0.18 1.09 1.01 -0.59 -4.94 120.40 122.97 3ias s VAL 734 Ca 0.28 -1.51 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 3ias s VAL 734 Cb -0.13 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3ias s VAL 734 CO 0.21 0.04 0.10 0.00 0.00 0.00 0.00 175.10 175.44 3ias s ALA 735 N -1.33 3.56 0.05 5.51 0.00 -1.26 -0.49 121.76 127.80 3ias s ALA 735 Ca 0.21 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.51 3ias s ALA 735 Cb -0.10 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 3ias s ALA 735 CO 0.12 0.21 -0.15 0.08 0.00 0.00 0.00 175.76 176.02 3ias s VAL 736 N 0.24 1.21 -0.12 0.00 1.01 -0.24 -2.21 120.40 120.29 3ias s VAL 736 Ca 0.06 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.91 3ias s VAL 736 Cb -0.12 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.17 3ias s VAL 736 CO -0.01 -0.05 -0.16 -0.70 0.00 0.00 0.00 175.10 174.18 3ias s GLU 737 N -1.38 2.36 0.35 2.72 2.12 -0.37 -0.97 118.70 123.53 3ias s GLU 737 Ca 0.01 -0.61 0.08 0.00 0.36 0.00 0.00 54.97 54.81 3ias s GLU 737 Cb -0.09 -1.99 -0.07 0.00 0.26 0.00 0.00 34.13 32.24 3ias s GLU 737 CO 0.02 -0.06 -0.06 0.99 -0.54 0.00 0.00 175.26 175.61 3ias s THR 738 N 0.98 2.06 -0.79 -1.70 2.01 -0.80 -2.27 115.64 115.12 3ias s THR 738 Ca -0.06 -2.14 0.02 0.00 0.31 0.00 0.00 61.69 59.81 3ias s THR 738 Cb -0.15 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.68 3ias s THR 738 CO -0.02 -0.17 0.98 -2.65 -0.69 0.00 0.00 174.62 172.08 3ias n PRO 739 N -0.80 0.01 0.00 4.92 -0.02 -1.26 -1.26 135.00 136.59 3ias n PRO 739 Ca -0.05 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 3ias n PRO 739 Cb 0.64 -1.61 0.01 0.00 -0.02 0.00 0.00 33.50 32.52 3ias n PRO 739 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ias n PHE 740 N -1.50 0.00 0.00 6.00 3.72 -1.26 -3.79 117.46 120.63 3ias n PHE 740 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3ias n PHE 740 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3ias n PHE 740 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ias n GLY 741 N 1.29 3.36 3.66 1.37 0.00 -0.39 -4.79 105.19 109.69 3ias n GLY 741 Ca 0.09 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 3ias n GLY 741 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ias s ARG 742 N -2.24 4.20 0.00 1.61 3.52 -1.26 -1.90 118.95 122.88 3ias s ARG 742 Ca 0.00 0.58 0.02 0.00 -0.13 0.00 0.00 55.73 56.21 3ias s ARG 742 Cb 0.00 -3.58 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 3ias s ARG 742 CO 0.00 -0.24 -0.08 0.08 -0.81 0.00 0.00 175.30 174.25 3ias s VAL 743 N 1.92 0.59 -0.04 7.11 1.01 -0.15 -4.97 120.40 125.87 3ias s VAL 743 Ca 0.28 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 3ias s VAL 743 Cb -0.16 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 3ias s VAL 743 CO 0.10 0.11 0.48 -1.83 0.00 0.00 0.00 175.10 173.96 3ias s GLU 744 N -0.32 4.18 0.01 2.72 1.03 -1.26 -1.08 118.70 123.98 3ias s GLU 744 Ca 0.02 0.50 -0.02 0.00 0.03 0.00 0.00 54.97 55.50 3ias s GLU 744 Cb -0.04 -3.33 -0.01 0.00 -0.80 0.00 0.00 34.13 29.96 3ias s GLU 744 CO -0.00 0.43 0.01 0.00 -1.33 0.00 0.00 175.26 174.37 3ias s ALA 745 N -0.28 0.01 0.85 -0.84 0.00 0.36 -4.37 121.76 117.48 3ias s ALA 745 Ca 0.26 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 3ias s ALA 745 Cb -0.17 0.11 0.10 0.00 0.00 0.00 0.00 23.12 23.17 3ias s ALA 745 CO 0.13 -0.15 1.14 -0.98 0.00 0.00 0.00 175.76 175.91 3ias s ARG 746 N -1.23 1.52 -0.10 0.00 1.70 -0.77 -1.55 118.95 118.52 3ias s ARG 746 Ca -0.13 1.50 0.03 0.00 -0.47 0.00 0.00 55.73 56.66 3ias s ARG 746 Cb -0.08 -1.79 0.01 0.00 -0.57 0.00 0.00 34.95 32.52 3ias s ARG 746 CO -0.00 -2.25 -0.20 0.54 -1.08 0.00 0.00 175.30 172.31 3ias s VAL 747 N -2.59 1.78 -0.02 4.99 0.11 -0.90 -0.47 120.40 123.30 3ias s VAL 747 Ca 0.67 -0.85 0.05 0.00 -2.93 0.00 0.00 61.98 58.92 3ias s VAL 747 Cb -0.23 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 33.05 3ias s VAL 747 CO 0.55 0.50 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.97 3ias s VAL 748 N 0.56 1.24 0.03 2.04 1.01 0.13 -3.99 120.40 121.42 3ias s VAL 748 Ca -0.15 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 3ias s VAL 748 Cb -0.17 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 3ias s VAL 748 CO 0.05 0.35 0.63 -1.00 0.00 0.00 0.00 175.10 175.14 3ias s HIS 749 N -0.28 3.73 -0.20 5.22 3.76 -1.26 -2.52 115.29 123.74 3ias s HIS 749 Ca 0.04 1.29 -0.04 0.00 -0.15 0.00 0.00 55.06 56.20 3ias s HIS 749 Cb -0.07 -2.63 0.10 0.00 1.11 0.00 0.00 32.58 31.09 3ias s HIS 749 CO -0.00 0.40 0.30 1.03 -0.85 0.00 0.00 174.74 175.62 3ias s ARG 750 N -0.42 0.25 0.00 1.40 0.52 -0.53 -4.91 118.95 115.26 3ias s ARG 750 Ca 0.32 0.48 0.11 0.00 -0.52 0.00 0.00 55.73 56.13 3ias s ARG 750 Cb -0.19 -0.62 0.60 0.00 0.52 0.00 0.00 34.95 35.26 3ias s ARG 750 CO 0.19 -0.56 1.23 0.39 0.02 0.00 0.00 175.30 176.57 3ias n GLU 751 N 5.35 0.21 0.00 3.54 1.02 -1.26 -1.41 120.64 128.09 3ias n GLU 751 Ca -0.05 0.13 0.11 0.00 -0.02 0.00 0.00 57.16 57.33 3ias n GLU 751 Cb 0.50 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 3ias n GLU 751 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ias n ASP 752 N -1.21 1.35 -4.59 1.62 5.75 -1.26 -4.86 116.55 113.34 3ias n ASP 752 Ca 0.06 -1.13 -0.43 0.00 -0.01 0.00 0.00 54.79 53.29 3ias n ASP 752 Cb 0.08 0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 40.83 3ias n ASP 752 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ias s VAL 753 N -2.78 4.51 0.20 2.12 1.01 -0.50 -4.55 120.40 120.41 3ias s VAL 753 Ca 0.13 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 3ias s VAL 753 Cb 0.17 -4.39 -0.17 0.00 0.00 0.00 0.00 36.38 31.99 3ias s VAL 753 CO 0.73 -0.67 0.61 -0.81 0.00 0.00 0.00 175.10 174.96 3ias n PRO 754 N 7.00 0.16 -1.68 2.72 -0.04 -1.26 -3.93 135.00 137.96 3ias n PRO 754 Ca 0.08 0.06 -0.47 0.00 -0.04 0.00 0.00 63.50 63.12 3ias n PRO 754 Cb 0.48 -1.13 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 3ias n PRO 754 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3ias n LYS 755 N 1.01 2.22 -0.62 0.54 3.00 -1.26 -3.12 118.16 119.93 3ias n LYS 755 Ca 0.17 0.81 0.00 0.00 -0.00 0.00 0.00 58.31 59.29 3ias n LYS 755 Cb 0.25 -2.64 0.00 0.00 0.00 0.00 0.00 35.03 32.64 3ias n LYS 755 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ias n GLY 756 N 4.10 0.91 3.94 3.14 0.00 -1.26 -5.04 105.19 110.98 3ias n GLY 756 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3ias n GLY 756 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ias s HIS 757 N -3.28 3.41 -0.15 1.61 3.76 -1.18 -5.05 115.29 114.41 3ias s HIS 757 Ca 0.00 -0.00 0.02 0.00 -0.15 0.00 0.00 55.06 54.92 3ias s HIS 757 Cb 0.00 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 32.14 3ias s HIS 757 CO 0.00 0.47 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.65 3ias s LEU 758 N -3.79 2.05 -0.33 0.89 1.02 -1.22 -4.60 118.68 112.69 3ias s LEU 758 Ca 0.34 -0.59 -0.21 0.00 0.02 0.00 0.00 54.13 53.69 3ias s LEU 758 Cb -0.09 -1.40 -0.00 0.00 0.02 0.00 0.00 46.19 44.71 3ias s LEU 758 CO 0.28 0.04 0.66 -0.31 0.02 0.00 0.00 176.35 177.04 3ias s TYR 759 N 1.05 3.18 -0.12 0.29 4.12 -0.85 -1.19 117.35 123.82 3ias s TYR 759 Ca -0.02 0.51 -0.06 0.00 0.02 0.00 0.00 57.07 57.53 3ias s TYR 759 Cb -0.14 -3.10 -0.04 0.00 -1.52 0.00 0.00 41.96 37.16 3ias s TYR 759 CO -0.06 -0.56 0.08 -1.17 0.02 0.00 0.00 175.55 173.86 3ias s LEU 760 N 2.72 4.04 -0.46 -1.29 2.96 0.08 -1.00 118.68 125.72 3ias s LEU 760 Ca 0.26 0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 54.19 3ias s LEU 760 Cb -0.15 -1.98 -0.08 0.00 0.50 0.00 0.00 46.19 44.49 3ias s LEU 760 CO 0.13 0.35 2.38 -0.24 -1.32 0.00 0.00 176.35 177.65 3ias n SER 761 N 2.38 2.34 -3.52 3.68 2.88 -0.72 0.10 113.62 120.77 3ias n SER 761 Ca -0.19 -0.22 -0.40 0.00 -1.33 0.00 0.00 58.87 56.73 3ias n SER 761 Cb 0.54 -1.50 -0.01 0.00 -0.75 0.00 0.00 64.21 62.49 3ias n SER 761 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ias n ALA 762 N 14.06 6.64 0.23 -1.46 0.00 -0.26 -4.75 120.51 134.97 3ias n ALA 762 Ca 0.38 -3.79 0.13 0.00 0.00 0.00 0.00 53.44 50.17 3ias n ALA 762 Cb 0.46 -3.31 0.72 0.00 0.00 0.00 0.00 19.45 17.31 3ias n ALA 762 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ias h LEU 763 N 7.83 0.00 0.00 0.00 3.38 -1.83 -3.36 115.31 121.33 3ias h LEU 763 Ca 0.71 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.68 3ias h LEU 763 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ias h LEU 763 CO 1.76 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.90 3ias n GLY 764 N -1.23 0.34 0.91 0.83 0.00 -1.26 -1.69 105.19 103.09 3ias n GLY 764 Ca -0.02 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.44 3ias n GLY 764 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ias n PRO 765 N 0.00 3.06 -0.87 1.61 -0.04 -1.26 -4.33 135.00 133.17 3ias n PRO 765 Ca 0.00 -2.62 0.04 0.00 -0.04 0.00 0.00 63.50 60.88 3ias n PRO 765 Cb 0.00 -1.70 0.36 0.00 -0.04 0.00 0.00 33.50 32.13 3ias n PRO 765 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ias n ALA 766 N -0.03 3.93 -1.49 0.55 0.00 -1.26 -4.62 120.51 117.58 3ias n ALA 766 Ca 0.19 -1.86 -0.31 0.00 0.00 0.00 0.00 53.44 51.46 3ias n ALA 766 Cb 0.77 -1.14 0.06 0.00 0.00 0.00 0.00 19.45 19.13 3ias n ALA 766 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias s ALA 767 N -2.68 2.58 0.00 0.00 0.00 -1.26 -3.80 121.76 116.59 3ias s ALA 767 Ca 0.51 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3ias s ALA 767 Cb 0.39 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3ias s ALA 767 CO 0.15 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.96 3ias n GLY 768 N -1.77 0.52 3.56 0.00 0.00 -0.73 -4.91 105.19 101.86 3ias n GLY 768 Ca 0.08 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 3ias n GLY 768 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ias s LEU 769 N 0.00 3.03 -0.20 0.99 1.43 -1.25 -4.16 118.68 118.53 3ias s LEU 769 Ca 0.00 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 52.84 3ias s LEU 769 Cb 0.00 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 3ias s LEU 769 CO 0.00 0.30 0.11 -0.13 0.23 0.00 0.00 176.35 176.86 3ias s ARG 770 N -1.23 4.12 0.07 1.70 0.52 -1.26 -0.45 118.95 122.42 3ias s ARG 770 Ca 0.15 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 3ias s ARG 770 Cb -0.11 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 3ias s ARG 770 CO 0.05 0.28 -0.05 0.08 0.02 0.00 0.00 175.30 175.68 3ias s VAL 771 N 0.39 0.47 0.93 3.52 1.01 0.45 -4.03 120.40 123.14 3ias s VAL 771 Ca 0.07 -1.67 -0.13 0.00 0.00 0.00 0.00 61.98 60.25 3ias s VAL 771 Cb -0.11 -1.33 0.15 0.00 0.00 0.00 0.00 36.38 35.08 3ias s VAL 771 CO -0.01 -0.80 1.15 -1.61 0.00 0.00 0.00 175.10 173.82 3ias s GLU 772 N -3.29 1.02 0.00 2.72 0.41 -1.22 -0.67 118.70 117.67 3ias s GLU 772 Ca 0.04 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.84 3ias s GLU 772 Cb 0.02 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.54 3ias s GLU 772 CO -0.05 -2.27 0.00 0.41 -0.49 0.00 0.00 175.26 172.86 3ias n GLY 773 N -2.26 0.05 3.74 -1.39 0.00 -1.26 -4.36 105.19 99.72 3ias n GLY 773 Ca 0.07 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 3ias n GLY 773 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ias s ARG 774 N -1.58 1.11 -0.61 1.61 3.03 -0.96 -4.94 118.95 116.60 3ias s ARG 774 Ca 0.00 -0.61 -0.22 0.00 2.03 0.00 0.00 55.73 56.93 3ias s ARG 774 Cb 0.00 0.38 0.07 0.00 -1.03 0.00 0.00 34.95 34.37 3ias s ARG 774 CO 0.00 -0.51 0.88 0.08 -1.13 0.00 0.00 175.30 174.63 3ias s VAL 775 N -3.17 4.47 0.53 4.99 1.01 -1.26 -1.24 120.40 125.73 3ias s VAL 775 Ca 0.13 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3ias s VAL 775 Cb -0.01 -4.59 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 3ias s VAL 775 CO 0.02 -1.28 1.19 -1.48 0.00 0.00 0.00 175.10 173.55 3ias s LEU 776 N 3.68 3.83 0.00 3.92 2.34 -0.94 -5.01 118.68 126.50 3ias s LEU 776 Ca 0.21 2.34 0.00 0.00 0.06 0.00 0.00 54.13 56.74 3ias s LEU 776 Cb -0.18 -4.44 0.00 0.00 -0.56 0.00 0.00 46.19 41.02 3ias s LEU 776 CO 0.11 -1.25 0.37 0.52 -1.06 0.00 0.00 176.35 175.04