#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ml3 n PRO 2 N 0.00 0.15 -2.79 0.03 -0.02 -1.26 -4.95 135.00 126.16 1ml3 n PRO 2 Ca 0.00 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1ml3 n PRO 2 Cb 0.00 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 1ml3 n PRO 2 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ml3 s ILE 3 N -2.11 4.79 -0.59 4.25 -1.09 -0.18 -4.78 121.20 121.49 1ml3 s ILE 3 Ca 0.69 1.80 -0.28 0.00 -2.23 0.00 0.00 60.65 60.63 1ml3 s ILE 3 Cb -0.29 -4.21 0.03 0.00 -1.58 0.00 0.00 42.46 36.40 1ml3 s ILE 3 CO 0.55 -0.07 1.20 -0.54 -1.23 0.00 0.00 174.94 174.84 1ml3 s LYS 4 N 2.67 3.50 -0.01 2.79 -0.14 -1.26 0.73 119.74 128.01 1ml3 s LYS 4 Ca 0.41 0.22 0.05 0.00 -1.36 0.00 0.00 55.97 55.29 1ml3 s LYS 4 Cb -0.16 -4.02 -0.03 0.00 -1.68 0.00 0.00 37.83 31.94 1ml3 s LYS 4 CO 0.10 -1.71 -0.16 0.08 -0.76 0.00 0.00 175.35 172.90 1ml3 s VAL 5 N 5.00 2.93 -0.04 3.17 1.01 -0.09 -0.42 120.40 131.96 1ml3 s VAL 5 Ca 0.42 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1ml3 s VAL 5 Cb -0.07 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1ml3 s VAL 5 CO 0.25 0.47 -0.13 -0.83 0.00 0.00 0.00 175.10 174.85 1ml3 s GLY 6 N -1.08 0.75 -0.27 4.51 0.00 0.83 -0.91 107.32 111.15 1ml3 s GLY 6 Ca 0.13 -0.52 -0.07 0.00 0.00 0.00 0.00 44.72 44.26 1ml3 s GLY 6 CO 0.03 -0.21 0.08 -0.42 0.00 0.00 0.00 173.10 172.58 1ml3 s ILE 7 N 0.15 4.19 -0.35 0.90 1.01 -0.85 0.58 121.20 126.83 1ml3 s ILE 7 Ca -0.04 -0.40 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 1ml3 s ILE 7 Cb -0.11 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1ml3 s ILE 7 CO 0.02 0.22 0.67 0.21 0.00 0.00 0.00 174.94 176.05 1ml3 s ASN 8 N 1.57 6.46 0.00 3.58 3.04 0.65 -1.12 114.94 129.12 1ml3 s ASN 8 Ca 0.05 0.21 0.00 0.00 0.04 0.00 0.00 52.86 53.16 1ml3 s ASN 8 Cb -0.16 -2.34 0.00 0.00 -1.54 0.00 0.00 41.25 37.21 1ml3 s ASN 8 CO 0.03 -0.62 0.00 0.61 -3.04 0.00 0.00 177.10 174.08 1ml3 n GLY 9 N 4.62 -0.70 2.76 1.21 0.00 0.33 -1.96 105.19 111.44 1ml3 n GLY 9 Ca -0.00 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1ml3 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ml3 n PHE 10 N 1.50 3.15 -0.56 1.61 7.35 -1.13 -4.30 117.46 125.09 1ml3 n PHE 10 Ca 0.00 -2.79 0.00 0.00 -0.76 0.00 0.00 57.45 53.90 1ml3 n PHE 10 Cb 0.00 -0.90 0.00 0.00 0.35 0.00 0.00 39.48 38.93 1ml3 n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ml3 n GLY 11 N -0.32 0.45 0.33 7.13 0.00 -1.26 -4.68 105.19 106.84 1ml3 n GLY 11 Ca 0.46 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 1ml3 n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ml3 h ARG 12 N 0.00 1.02 -0.24 1.61 1.12 -1.96 -2.07 114.38 113.86 1ml3 h ARG 12 Ca 0.00 -0.15 -0.05 0.00 -1.11 0.00 0.00 59.98 58.66 1ml3 h ARG 12 Cb 0.00 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.77 1ml3 h ARG 12 CO 0.00 0.80 -0.06 0.82 -3.11 0.00 0.00 179.97 178.42 1ml3 h ILE 13 N 1.00 1.29 -0.25 1.20 1.08 -1.92 -3.06 117.51 116.84 1ml3 h ILE 13 Ca 0.24 -1.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1ml3 h ILE 13 Cb 0.14 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1ml3 h ILE 13 CO -0.03 0.33 0.15 1.23 -0.69 0.00 0.00 178.15 179.15 1ml3 h GLY 14 N 0.19 0.36 0.39 5.37 0.00 -1.70 -2.83 103.07 104.86 1ml3 h GLY 14 Ca 0.06 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.30 1ml3 h GLY 14 CO 0.02 0.15 -0.09 3.21 0.00 0.00 0.00 176.54 179.83 1ml3 h ARG 15 N 0.32 -0.03 -0.76 4.80 3.08 -1.40 -0.31 114.38 120.07 1ml3 h ARG 15 Ca 0.09 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1ml3 h ARG 15 Cb 0.01 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1ml3 h ARG 15 CO -0.02 -0.02 0.44 0.52 -1.07 0.00 0.00 179.97 179.83 1ml3 h MET 16 N -0.03 0.77 -0.77 0.04 2.86 -1.48 0.82 114.93 117.15 1ml3 h MET 16 Ca 0.14 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1ml3 h MET 16 Cb 0.24 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1ml3 h MET 16 CO -0.31 0.51 0.44 0.28 1.06 0.00 0.00 176.91 178.89 1ml3 h VAL 17 N 0.79 1.22 -0.39 -2.22 2.07 -1.12 0.64 116.25 117.24 1ml3 h VAL 17 Ca 0.34 -0.52 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 1ml3 h VAL 17 Cb 0.22 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1ml3 h VAL 17 CO -0.19 0.24 -0.33 0.15 0.02 0.00 0.00 177.57 177.45 1ml3 h PHE 18 N 1.05 1.09 -0.35 1.57 3.04 0.30 -1.16 116.94 122.49 1ml3 h PHE 18 Ca 0.27 -0.31 -0.10 0.00 3.98 0.00 0.00 57.97 61.81 1ml3 h PHE 18 Cb -0.01 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.25 1ml3 h PHE 18 CO -0.00 1.13 -0.20 1.96 -2.02 0.00 0.00 178.31 179.17 1ml3 h GLN 19 N 0.73 0.66 0.55 1.11 4.20 0.11 -1.09 115.11 121.38 1ml3 h GLN 19 Ca 0.07 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1ml3 h GLN 19 Cb 0.92 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 1ml3 h GLN 19 CO 0.09 0.82 -0.32 0.00 -0.67 0.00 0.00 178.83 178.75 1ml3 h ALA 20 N 1.19 -0.82 -0.94 3.87 0.00 0.45 0.23 119.26 123.24 1ml3 h ALA 20 Ca 0.09 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1ml3 h ALA 20 Cb 0.67 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1ml3 h ALA 20 CO 0.05 -0.97 0.60 1.25 0.00 0.00 0.00 179.25 180.18 1ml3 h LEU 21 N -0.82 0.66 -0.03 0.00 6.46 -1.01 -2.24 115.31 118.33 1ml3 h LEU 21 Ca -0.07 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1ml3 h LEU 21 Cb 0.65 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1ml3 h LEU 21 CO 0.09 0.29 -0.06 0.00 -0.62 0.00 0.00 178.44 178.14 1ml3 h GLU 23 N -0.41 0.68 0.00 0.00 4.11 -0.47 0.30 114.58 118.79 1ml3 h GLU 23 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1ml3 h GLU 23 Cb 0.61 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ml3 h GLU 23 CO 0.01 0.45 0.00 -0.25 0.07 0.00 0.00 179.01 179.29 1ml3 n ASP 24 N -4.47 0.20 -0.74 3.06 8.00 -0.89 -4.88 116.55 116.83 1ml3 n ASP 24 Ca 0.08 0.55 -0.02 0.00 0.71 0.00 0.00 54.79 56.11 1ml3 n ASP 24 Cb 0.18 -0.59 0.01 0.00 -0.02 0.00 0.00 41.12 40.70 1ml3 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ml3 n GLY 25 N 0.14 0.84 0.01 0.44 0.00 0.10 -4.99 105.19 101.73 1ml3 n GLY 25 Ca 0.03 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.54 1ml3 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ml3 n LEU 26 N -0.85 0.28 -4.68 0.99 4.77 -0.83 -4.62 117.00 112.06 1ml3 n LEU 26 Ca 0.00 -0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.40 1ml3 n LEU 26 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1ml3 n LEU 26 CO 0.05 0.07 1.23 -0.22 -1.33 0.00 0.00 177.39 177.19 1ml3 s LEU 27 N -3.91 4.33 0.00 2.23 2.96 -1.25 0.51 118.68 123.54 1ml3 s LEU 27 Ca -0.03 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 1ml3 s LEU 27 Cb 0.13 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1ml3 s LEU 27 CO 0.81 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 175.64 1ml3 n GLY 28 N 3.84 2.64 0.22 7.98 0.00 -0.27 -4.75 105.19 114.85 1ml3 n GLY 28 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ml3 n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ml3 n THR 29 N -1.97 0.00 -0.07 2.61 -2.24 -1.08 -4.89 114.28 106.65 1ml3 n THR 29 Ca 0.00 0.23 -0.18 0.00 -2.27 0.00 0.00 64.05 61.83 1ml3 n THR 29 Cb 0.00 -1.17 -0.13 0.00 -2.10 0.00 0.00 70.33 66.93 1ml3 n THR 29 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ml3 h GLU 30 N 0.00 0.03 -5.52 -0.78 4.39 -1.52 -3.42 114.58 107.76 1ml3 h GLU 30 Ca 0.00 -0.05 -0.67 0.00 0.34 0.00 0.00 59.36 58.98 1ml3 h GLU 30 Cb 0.00 0.02 -0.27 0.00 -0.10 0.00 0.00 28.75 28.39 1ml3 h GLU 30 CO 0.00 1.02 -0.79 0.42 -1.16 0.00 0.00 179.01 178.50 1ml3 s ILE 31 N -2.31 2.84 -0.70 3.13 1.01 0.18 -1.02 121.20 124.34 1ml3 s ILE 31 Ca -0.23 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 1ml3 s ILE 31 Cb 0.01 -2.16 0.18 0.00 0.01 0.00 0.00 42.46 40.51 1ml3 s ILE 31 CO 0.66 0.54 0.63 -0.62 0.00 0.00 0.00 174.94 176.15 1ml3 s ASP 32 N 0.15 6.36 -0.70 3.58 3.68 0.22 -1.11 116.67 128.85 1ml3 s ASP 32 Ca -0.08 -2.41 -0.27 0.00 2.13 0.00 0.00 52.55 51.92 1ml3 s ASP 32 Cb -0.15 -2.15 0.01 0.00 -1.45 0.00 0.00 42.92 39.17 1ml3 s ASP 32 CO 0.05 -0.64 1.54 -0.69 0.13 0.00 0.00 175.17 175.57 1ml3 s VAL 33 N 0.61 3.57 0.00 1.11 1.01 -1.26 -0.92 120.40 124.53 1ml3 s VAL 33 Ca 0.13 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.15 1ml3 s VAL 33 Cb -0.18 -4.49 -0.18 0.00 0.00 0.00 0.00 36.38 31.53 1ml3 s VAL 33 CO -0.05 -1.44 1.24 0.58 0.00 0.00 0.00 175.10 175.43 1ml3 h VAL 34 N 6.44 1.41 -4.09 2.92 2.07 -1.33 -3.41 116.25 120.25 1ml3 h VAL 34 Ca -0.25 -1.46 -0.16 0.00 0.82 0.00 0.00 66.70 65.65 1ml3 h VAL 34 Cb 1.09 2.19 -0.11 0.00 -1.52 0.00 0.00 31.29 32.94 1ml3 h VAL 34 CO 1.26 0.41 -0.33 0.00 0.02 0.00 0.00 177.57 178.93 1ml3 s ALA 35 N -3.95 0.45 -0.17 1.67 0.00 -1.25 -2.10 121.76 116.41 1ml3 s ALA 35 Ca -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 51.96 50.49 1ml3 s ALA 35 Cb 0.03 1.21 0.08 0.00 0.00 0.00 0.00 23.12 24.45 1ml3 s ALA 35 CO 0.74 -0.74 0.21 0.14 0.00 0.00 0.00 175.76 176.10 1ml3 s VAL 36 N -3.98 -0.31 0.12 0.00 -7.23 -0.84 -2.00 120.40 106.17 1ml3 s VAL 36 Ca 0.30 0.01 -0.12 0.00 -1.81 0.00 0.00 61.98 60.36 1ml3 s VAL 36 Cb 0.02 -0.58 -0.06 0.00 0.56 0.00 0.00 36.38 36.32 1ml3 s VAL 36 CO 0.12 -0.11 0.49 0.54 -0.31 0.00 0.00 175.10 175.83 1ml3 s VAL 37 N 2.32 4.95 -0.11 1.32 0.11 -0.28 -1.75 120.40 126.96 1ml3 s VAL 37 Ca 0.05 0.68 -0.32 0.00 -2.93 0.00 0.00 61.98 59.46 1ml3 s VAL 37 Cb -0.15 -3.70 0.12 0.00 -1.53 0.00 0.00 36.38 31.13 1ml3 s VAL 37 CO -0.10 0.25 1.06 -0.62 -3.33 0.00 0.00 175.10 172.36 1ml3 s ASP 38 N -1.75 -0.24 0.61 3.54 -1.08 -0.69 0.12 116.67 117.18 1ml3 s ASP 38 Ca 0.36 0.00 0.40 0.00 -0.52 0.00 0.00 52.55 52.79 1ml3 s ASP 38 Cb -0.14 0.25 1.98 0.00 -1.46 0.00 0.00 42.92 43.55 1ml3 s ASP 38 CO 0.19 -0.41 2.20 0.00 0.52 0.00 0.00 175.17 177.67 1ml3 h MET 39 N 2.00 0.00 -6.21 4.34 -0.00 -1.92 0.51 114.93 113.65 1ml3 h MET 39 Ca -0.15 0.00 -0.67 0.00 -0.00 0.00 0.00 59.70 58.88 1ml3 h MET 39 Cb 1.20 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.65 1ml3 h MET 39 CO 0.26 0.00 -0.66 1.21 -0.00 0.00 0.00 176.91 177.72 1ml3 s ASN 40 N -5.31 4.96 -0.07 -0.10 2.47 -1.26 -4.77 114.94 110.87 1ml3 s ASN 40 Ca -0.02 -0.06 0.10 0.00 0.42 0.00 0.00 52.86 53.29 1ml3 s ASN 40 Cb 0.11 -1.25 0.16 0.00 -1.45 0.00 0.00 41.25 38.82 1ml3 s ASN 40 CO 0.45 0.27 1.08 0.35 -3.72 0.00 0.00 177.10 175.54 1ml3 n THR 41 N 1.37 0.94 -2.87 -5.21 -2.24 -1.26 -4.86 114.28 100.14 1ml3 n THR 41 Ca -0.14 -1.17 -0.44 0.00 -2.27 0.00 0.00 64.05 60.03 1ml3 n THR 41 Cb 0.53 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 1ml3 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ml3 s ASP 42 N -1.96 6.75 0.50 3.42 -1.08 -1.26 -4.62 116.67 118.41 1ml3 s ASP 42 Ca 0.17 -2.26 0.31 0.00 -0.52 0.00 0.00 52.55 50.24 1ml3 s ASP 42 Cb 0.15 -2.43 1.41 0.00 -1.46 0.00 0.00 42.92 40.60 1ml3 s ASP 42 CO 0.01 -1.03 1.81 0.00 0.52 0.00 0.00 175.17 176.47 1ml3 h ALA 43 N 8.41 2.82 -0.28 3.66 0.00 -1.89 0.47 119.26 132.46 1ml3 h ALA 43 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ml3 h ALA 43 Cb 0.97 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1ml3 h ALA 43 CO 1.20 -1.17 0.05 0.93 0.00 0.00 0.00 179.25 180.26 1ml3 h GLU 44 N 0.11 0.40 -0.00 0.00 5.08 -1.89 0.75 114.58 119.03 1ml3 h GLU 44 Ca 0.55 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.72 1ml3 h GLU 44 Cb 1.96 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 31.15 1ml3 h GLU 44 CO -0.09 0.39 -0.50 -0.92 -1.00 0.00 0.00 179.01 176.88 1ml3 h TYR 45 N 0.39 0.52 -0.05 4.33 3.20 -0.47 -2.69 116.97 122.20 1ml3 h TYR 45 Ca 0.09 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.69 1ml3 h TYR 45 Cb 0.19 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1ml3 h TYR 45 CO 0.01 1.09 0.04 0.74 -1.64 0.00 0.00 178.16 178.39 1ml3 h PHE 46 N -0.21 0.06 -0.24 -3.82 0.04 -0.96 -0.52 116.94 111.30 1ml3 h PHE 46 Ca -0.06 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.53 1ml3 h PHE 46 Cb 1.23 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 1ml3 h PHE 46 CO 0.15 0.04 -0.58 0.00 -0.60 0.00 0.00 178.31 177.32 1ml3 h ALA 47 N 1.97 0.52 -0.63 2.45 0.00 -0.84 -2.44 119.26 120.30 1ml3 h ALA 47 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1ml3 h ALA 47 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ml3 h ALA 47 CO -0.00 0.69 0.04 -0.92 0.00 0.00 0.00 179.25 179.05 1ml3 h TYR 48 N 0.58 1.17 -0.18 0.00 3.20 -0.91 -0.25 116.97 120.58 1ml3 h TYR 48 Ca 0.00 -0.19 -0.09 0.00 3.14 0.00 0.00 58.73 61.60 1ml3 h TYR 48 Cb 1.17 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1ml3 h TYR 48 CO 0.07 1.01 -0.28 1.96 -1.64 0.00 0.00 178.16 179.28 1ml3 h GLN 49 N 1.00 0.35 0.09 1.82 4.20 -1.04 -2.58 115.11 118.96 1ml3 h GLN 49 Ca 0.18 -0.13 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 1ml3 h GLN 49 Cb 0.52 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.30 1ml3 h GLN 49 CO 0.03 0.61 -0.86 0.52 -0.67 0.00 0.00 178.83 178.46 1ml3 h MET 50 N 0.31 0.42 -0.82 1.46 2.86 -1.31 -3.34 114.93 114.51 1ml3 h MET 50 Ca 0.04 -0.57 0.08 0.00 -2.06 0.00 0.00 59.70 57.19 1ml3 h MET 50 Cb 0.66 0.19 -0.07 0.00 0.06 0.00 0.00 31.60 32.45 1ml3 h MET 50 CO 0.05 1.23 0.48 -0.09 1.06 0.00 0.00 176.91 179.64 1ml3 h ARG 51 N -0.12 0.81 -6.21 1.72 2.43 -0.96 -3.36 114.38 108.69 1ml3 h ARG 51 Ca -0.13 -0.05 -0.61 0.00 -0.81 0.00 0.00 59.98 58.38 1ml3 h ARG 51 Cb 1.61 -0.18 -0.14 0.00 -0.42 0.00 0.00 29.97 30.84 1ml3 h ARG 51 CO 0.16 0.53 -0.75 0.71 -1.51 0.00 0.00 179.97 179.12 1ml3 s TYR 52 N -6.05 2.33 -0.29 2.20 2.02 -0.98 -2.45 117.35 114.13 1ml3 s TYR 52 Ca -0.12 -0.32 -0.14 0.00 -0.37 0.00 0.00 57.07 56.11 1ml3 s TYR 52 Cb 0.19 -1.01 0.13 0.00 -0.40 0.00 0.00 41.96 40.87 1ml3 s TYR 52 CO 0.78 0.71 0.84 0.34 -1.57 0.00 0.00 175.55 176.65 1ml3 s ASP 53 N -3.52 -0.78 0.31 2.29 -1.08 -1.20 -4.71 116.67 107.98 1ml3 s ASP 53 Ca 0.30 1.15 0.00 0.00 -0.52 0.00 0.00 52.55 53.48 1ml3 s ASP 53 Cb -0.05 1.64 0.53 0.00 -1.46 0.00 0.00 42.92 43.58 1ml3 s ASP 53 CO 0.15 -0.17 1.95 0.71 0.52 0.00 0.00 175.17 178.34 1ml3 h THR 54 N 5.38 1.13 0.02 1.71 1.35 -1.97 -3.10 112.91 117.44 1ml3 h THR 54 Ca -0.23 -0.35 -0.39 0.00 -0.55 0.00 0.00 66.41 64.89 1ml3 h THR 54 Cb 1.16 0.03 -0.06 0.00 -1.73 0.00 0.00 68.15 67.54 1ml3 h THR 54 CO 0.13 0.19 -2.40 0.55 -0.25 0.00 0.00 175.52 173.74 1ml3 n VAL 55 N -4.45 1.53 1.09 6.82 3.14 -1.26 -4.62 118.33 120.59 1ml3 n VAL 55 Ca 0.11 -0.55 0.06 0.00 -2.96 0.00 0.00 64.34 61.00 1ml3 n VAL 55 Cb 0.11 -1.53 0.19 0.00 -1.06 0.00 0.00 33.84 31.55 1ml3 n VAL 55 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1ml3 n HIS 56 N -3.44 0.36 -4.04 1.45 8.25 -1.25 -4.98 115.22 111.57 1ml3 n HIS 56 Ca -0.45 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 1ml3 n HIS 56 Cb 0.98 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.09 1ml3 n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ml3 n GLY 57 N 1.00 -1.56 3.83 -1.41 0.00 -1.17 -4.85 105.19 101.04 1ml3 n GLY 57 Ca 0.11 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1ml3 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ml3 s LYS 58 N 0.00 3.94 0.31 1.61 1.02 -1.26 -3.21 119.74 122.16 1ml3 s LYS 58 Ca 0.00 0.41 -0.28 0.00 0.02 0.00 0.00 55.97 56.11 1ml3 s LYS 58 Cb 0.00 -3.24 -0.13 0.00 -0.52 0.00 0.00 37.83 33.94 1ml3 s LYS 58 CO 0.00 0.66 1.20 0.34 -0.92 0.00 0.00 175.35 176.63 1ml3 n PHE 59 N 1.95 1.92 0.12 3.18 7.35 -1.02 -4.91 117.46 126.03 1ml3 n PHE 59 Ca -0.14 0.60 -0.01 0.00 -0.76 0.00 0.00 57.45 57.14 1ml3 n PHE 59 Cb 0.52 -2.36 0.25 0.00 0.35 0.00 0.00 39.48 38.24 1ml3 n PHE 59 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1ml3 h LYS 60 N 2.50 0.17 -6.25 -4.13 6.56 -1.93 -3.44 116.57 110.04 1ml3 h LYS 60 Ca -0.44 -0.08 -0.65 0.00 -1.06 0.00 0.00 60.65 58.42 1ml3 h LYS 60 Cb 1.30 -0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.85 1ml3 h LYS 60 CO 0.63 0.56 -0.64 0.71 -2.06 0.00 0.00 179.45 178.66 1ml3 s TYR 61 N -4.11 3.07 0.53 -1.35 1.51 -1.26 -5.09 117.35 110.65 1ml3 s TYR 61 Ca -0.04 0.03 -0.20 0.00 -1.01 0.00 0.00 57.07 55.85 1ml3 s TYR 61 Cb 0.14 -1.59 -0.06 0.00 -0.11 0.00 0.00 41.96 40.33 1ml3 s TYR 61 CO 0.76 0.49 1.14 -2.00 -1.11 0.00 0.00 175.55 174.83 1ml3 s GLU 62 N -2.17 3.42 -0.10 -0.62 2.12 -1.26 -4.98 118.70 115.11 1ml3 s GLU 62 Ca 0.25 1.65 -0.00 0.00 0.36 0.00 0.00 54.97 57.24 1ml3 s GLU 62 Cb -0.12 -2.08 0.02 0.00 0.26 0.00 0.00 34.13 32.22 1ml3 s GLU 62 CO 0.18 -0.81 -0.07 0.08 -0.54 0.00 0.00 175.26 174.10 1ml3 s VAL 63 N -1.72 0.95 0.30 3.70 1.01 -1.26 -4.36 120.40 119.02 1ml3 s VAL 63 Ca 0.71 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 62.52 1ml3 s VAL 63 Cb -0.25 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 1ml3 s VAL 63 CO 0.29 0.35 -0.12 0.42 0.00 0.00 0.00 175.10 176.04 1ml3 s THR 64 N 1.54 2.12 0.21 3.92 -4.23 -0.48 -4.95 115.64 113.77 1ml3 s THR 64 Ca 0.01 -2.24 0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1ml3 s THR 64 Cb -0.13 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 1ml3 s THR 64 CO -0.06 -0.30 -0.22 0.42 -0.54 0.00 0.00 174.62 173.92 1ml3 s THR 65 N -2.71 2.28 0.22 3.99 -4.23 -1.26 0.32 115.64 114.26 1ml3 s THR 65 Ca 0.30 -2.12 -0.20 0.00 -1.18 0.00 0.00 61.69 58.49 1ml3 s THR 65 Cb 0.01 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.76 1ml3 s THR 65 CO 0.14 -0.24 0.63 0.28 -0.54 0.00 0.00 174.62 174.89 1ml3 s THR 66 N -1.99 0.01 0.29 3.99 -1.32 -0.70 -4.96 115.64 110.95 1ml3 s THR 66 Ca 0.22 -0.66 -0.18 0.00 -1.21 0.00 0.00 61.69 59.86 1ml3 s THR 66 Cb -0.07 -1.61 -0.09 0.00 -1.51 0.00 0.00 72.50 69.23 1ml3 s THR 66 CO 0.11 -0.03 0.76 -0.54 -2.21 0.00 0.00 174.62 172.71 1ml3 s LYS 67 N -3.86 4.15 0.27 7.08 1.02 -1.26 -1.81 119.74 125.34 1ml3 s LYS 67 Ca 0.08 0.83 0.16 0.00 0.02 0.00 0.00 55.97 57.05 1ml3 s LYS 67 Cb -0.03 -2.60 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 1ml3 s LYS 67 CO -0.01 0.24 1.41 0.66 -0.92 0.00 0.00 175.35 176.73 1ml3 h SER 68 N 2.73 0.00 -3.75 2.83 4.64 -1.96 -3.45 113.55 114.58 1ml3 h SER 68 Ca -0.48 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.73 1ml3 h SER 68 Cb 1.18 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.03 1ml3 h SER 68 CO 0.65 0.48 -0.23 -0.94 -0.87 0.00 0.00 176.83 175.92 1ml3 s SER 69 N -6.39 -0.47 0.56 4.97 1.04 -1.26 -5.03 113.70 107.12 1ml3 s SER 69 Ca 0.04 0.88 0.46 0.00 0.48 0.00 0.00 55.95 57.81 1ml3 s SER 69 Cb 0.07 0.86 1.65 0.00 0.10 0.00 0.00 66.02 68.71 1ml3 s SER 69 CO 0.75 -0.16 1.60 -0.65 0.98 0.00 0.00 173.24 175.76 1ml3 h PRO 70 N 5.81 0.00 -2.87 4.02 0.11 -2.03 -2.80 132.00 134.24 1ml3 h PRO 70 Ca -0.29 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.12 1ml3 h PRO 70 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1ml3 h PRO 70 CO 0.25 0.00 3.19 -1.13 -0.21 0.00 0.00 178.00 180.10 1ml3 n SER 71 N -3.93 8.28 -3.70 -2.05 3.41 -1.26 -4.83 113.62 109.53 1ml3 n SER 71 Ca 0.39 -2.83 -0.12 0.00 -0.26 0.00 0.00 58.87 56.05 1ml3 n SER 71 Cb 1.83 -1.47 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 1ml3 n SER 71 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ml3 s VAL 72 N 0.72 -0.11 0.00 -3.33 1.01 -1.06 -5.08 120.40 112.56 1ml3 s VAL 72 Ca 0.62 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1ml3 s VAL 72 Cb 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1ml3 s VAL 72 CO -0.07 0.06 0.09 0.00 0.00 0.00 0.00 175.10 175.17 1ml3 n ALA 73 N 4.43 0.00 -2.32 5.51 0.00 -1.26 -4.73 120.51 122.14 1ml3 n ALA 73 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 1ml3 n ALA 73 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1ml3 n ALA 73 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ml3 s LYS 74 N -0.18 4.43 0.35 0.00 1.02 -1.26 -5.00 119.74 119.11 1ml3 s LYS 74 Ca 0.00 0.97 -0.23 0.00 0.02 0.00 0.00 55.97 56.72 1ml3 s LYS 74 Cb 0.00 -3.32 -0.15 0.00 -0.52 0.00 0.00 37.83 33.83 1ml3 s LYS 74 CO 0.00 0.40 0.32 -0.25 -0.92 0.00 0.00 175.35 174.90 1ml3 n ASP 75 N 2.41 -1.93 -1.11 2.83 9.92 -1.26 -4.90 116.55 122.52 1ml3 n ASP 75 Ca -0.05 0.92 0.04 0.00 -0.53 0.00 0.00 54.79 55.17 1ml3 n ASP 75 Cb 0.50 -0.96 0.05 0.00 -0.64 0.00 0.00 41.12 40.07 1ml3 n ASP 75 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1ml3 n ASP 76 N 2.00 1.01 -3.76 -2.24 5.75 -1.02 -3.15 116.55 115.14 1ml3 n ASP 76 Ca 0.13 -2.36 -0.13 0.00 -0.01 0.00 0.00 54.79 52.42 1ml3 n ASP 76 Cb 0.36 -0.33 -0.13 0.00 -1.03 0.00 0.00 41.12 39.99 1ml3 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ml3 s THR 77 N -0.66 -0.03 0.06 2.12 2.01 -0.75 -1.52 115.64 116.87 1ml3 s THR 77 Ca 0.29 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.27 1ml3 s THR 77 Cb 0.31 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.45 1ml3 s THR 77 CO -0.11 0.05 0.45 -0.76 -0.69 0.00 0.00 174.62 173.55 1ml3 s LEU 78 N 0.90 4.41 -0.13 4.42 1.43 0.45 -1.72 118.68 128.44 1ml3 s LEU 78 Ca -0.07 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1ml3 s LEU 78 Cb -0.08 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.27 1ml3 s LEU 78 CO -0.05 0.22 -0.13 -0.69 0.23 0.00 0.00 176.35 175.93 1ml3 s VAL 79 N -1.27 1.45 -0.08 -1.59 1.01 0.15 0.95 120.40 121.02 1ml3 s VAL 79 Ca 0.30 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1ml3 s VAL 79 Cb -0.16 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1ml3 s VAL 79 CO 0.17 0.44 0.03 -0.69 0.00 0.00 0.00 175.10 175.04 1ml3 s VAL 80 N 1.41 0.23 -1.34 2.92 1.01 -0.19 -1.38 120.40 123.07 1ml3 s VAL 80 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1ml3 s VAL 80 Cb -0.13 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1ml3 s VAL 80 CO -0.08 0.16 0.66 0.59 0.00 0.00 0.00 175.10 176.42 1ml3 n ASN 81 N 5.19 -1.19 0.00 3.32 3.02 -1.26 -0.15 115.26 124.18 1ml3 n ASN 81 Ca -0.06 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1ml3 n ASN 81 Cb 0.50 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1ml3 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ml3 n GLY 82 N -1.66 0.21 3.72 7.41 0.00 -1.26 -4.94 105.19 108.66 1ml3 n GLY 82 Ca -0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 1ml3 n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ml3 s HIS 83 N -1.58 3.51 -0.27 1.61 5.04 0.79 -5.04 115.29 119.35 1ml3 s HIS 83 Ca 0.00 0.90 -0.11 0.00 -1.54 0.00 0.00 55.06 54.32 1ml3 s HIS 83 Cb 0.00 -2.57 -0.05 0.00 0.04 0.00 0.00 32.58 30.00 1ml3 s HIS 83 CO 0.00 0.16 0.18 1.03 -2.34 0.00 0.00 174.74 173.77 1ml3 s ARG 84 N 0.66 3.99 -0.21 2.88 0.52 -1.26 -1.02 118.95 124.51 1ml3 s ARG 84 Ca 0.26 -0.29 -0.03 0.00 -0.52 0.00 0.00 55.73 55.15 1ml3 s ARG 84 Cb -0.15 -3.62 -0.00 0.00 0.52 0.00 0.00 34.95 31.70 1ml3 s ARG 84 CO 0.11 -0.10 -0.07 0.42 0.02 0.00 0.00 175.30 175.68 1ml3 s ILE 85 N 1.52 3.16 0.06 1.52 1.09 0.27 -4.81 121.20 124.01 1ml3 s ILE 85 Ca 0.07 -0.57 -0.26 0.00 -1.10 0.00 0.00 60.65 58.79 1ml3 s ILE 85 Cb -0.15 -2.43 -0.05 0.00 -1.06 0.00 0.00 42.46 38.77 1ml3 s ILE 85 CO 0.09 0.44 0.82 -0.22 -0.10 0.00 0.00 174.94 175.96 1ml3 s LEU 86 N 1.45 4.46 -0.47 2.97 2.96 -0.89 0.17 118.68 129.32 1ml3 s LEU 86 Ca 0.06 1.53 -0.19 0.00 -0.22 0.00 0.00 54.13 55.30 1ml3 s LEU 86 Cb -0.14 -3.32 0.04 0.00 0.50 0.00 0.00 46.19 43.27 1ml3 s LEU 86 CO -0.05 -0.01 0.60 0.00 -1.32 0.00 0.00 176.35 175.57 1ml3 s VAL 88 N 2.62 5.27 0.11 0.00 1.01 -0.71 -4.92 120.40 123.76 1ml3 s VAL 88 Ca 0.17 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1ml3 s VAL 88 Cb -0.17 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1ml3 s VAL 88 CO 0.14 -0.09 0.61 -0.75 0.00 0.00 0.00 175.10 175.01 1ml3 s LYS 89 N -3.15 4.22 0.92 2.72 2.20 -1.26 -1.70 119.74 123.70 1ml3 s LYS 89 Ca 0.37 0.77 -0.14 0.00 -0.36 0.00 0.00 55.97 56.60 1ml3 s LYS 89 Cb -0.11 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1ml3 s LYS 89 CO 0.28 0.59 0.09 0.00 -0.36 0.00 0.00 175.35 175.95 1ml3 n ALA 90 N 1.48 -3.24 -2.82 3.13 0.00 0.17 -4.67 120.51 114.57 1ml3 n ALA 90 Ca -0.08 -0.57 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 1ml3 n ALA 90 Cb 0.51 -1.62 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 1ml3 n ALA 90 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ml3 s GLN 91 N -3.04 0.57 0.08 0.00 -1.52 -1.26 -4.95 119.66 109.54 1ml3 s GLN 91 Ca 0.53 -0.69 -0.34 0.00 -1.95 0.00 0.00 55.36 52.92 1ml3 s GLN 91 Cb -0.23 -0.40 -0.17 0.00 -0.22 0.00 0.00 33.01 32.00 1ml3 s GLN 91 CO 0.70 0.08 1.60 -0.09 -0.25 0.00 0.00 175.29 177.33 1ml3 h ARG 92 N 4.73 -0.91 -5.35 2.91 9.65 -1.97 -3.41 114.38 120.03 1ml3 h ARG 92 Ca -0.35 0.06 -0.63 0.00 -1.10 0.00 0.00 59.98 57.96 1ml3 h ARG 92 Cb 1.20 0.21 -0.20 0.00 -1.39 0.00 0.00 29.97 29.79 1ml3 h ARG 92 CO 0.42 -0.61 -0.64 -0.80 2.80 0.00 0.00 179.97 181.15 1ml3 s ASN 93 N -4.40 5.05 0.61 -3.80 0.01 -1.26 -4.99 114.94 106.16 1ml3 s ASN 93 Ca -0.18 -0.05 0.28 0.00 -0.71 0.00 0.00 52.86 52.21 1ml3 s ASN 93 Cb 0.04 -1.81 1.49 0.00 0.41 0.00 0.00 41.25 41.39 1ml3 s ASN 93 CO 0.62 0.19 1.89 -0.65 -1.51 0.00 0.00 177.10 177.63 1ml3 h PRO 94 N 6.57 0.00 0.00 -0.60 0.11 -1.88 -0.03 132.00 136.18 1ml3 h PRO 94 Ca -0.34 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1ml3 h PRO 94 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ml3 h PRO 94 CO 0.64 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.43 1ml3 h ALA 95 N 1.39 1.01 -0.12 -0.75 0.00 -1.92 -2.45 119.26 116.43 1ml3 h ALA 95 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ml3 h ALA 95 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ml3 h ALA 95 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1ml3 n ASP 96 N -3.10 1.47 -4.72 0.00 10.43 -0.02 -3.57 116.55 117.03 1ml3 n ASP 96 Ca -0.01 -1.62 -0.42 0.00 2.57 0.00 0.00 54.79 55.31 1ml3 n ASP 96 Cb 0.22 -0.07 -0.03 0.00 1.84 0.00 0.00 41.12 43.07 1ml3 n ASP 96 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1ml3 s LEU 97 N -1.67 4.41 0.00 0.64 2.01 -0.92 -4.90 118.68 118.25 1ml3 s LEU 97 Ca 0.34 1.85 0.00 0.00 0.01 0.00 0.00 54.13 56.33 1ml3 s LEU 97 Cb 0.18 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.80 1ml3 s LEU 97 CO 0.28 -0.28 0.32 -0.81 1.01 0.00 0.00 176.35 176.87 1ml3 n PRO 98 N 3.46 0.23 0.04 1.29 -0.04 -1.26 -4.41 135.00 134.30 1ml3 n PRO 98 Ca 0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1ml3 n PRO 98 Cb 0.49 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 1ml3 n PRO 98 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1ml3 h TRP 99 N 2.29 -0.74 0.33 0.54 -0.00 -1.81 0.17 115.95 116.71 1ml3 h TRP 99 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.91 1ml3 h TRP 99 Cb 0.23 0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.72 1ml3 h TRP 99 CO 0.18 -0.36 -0.21 0.78 -0.00 0.00 0.00 178.44 178.83 1ml3 h GLY 100 N -0.39 -0.53 0.81 1.49 0.00 -1.34 0.20 103.07 103.31 1ml3 h GLY 100 Ca 0.08 0.23 0.14 0.00 0.00 0.00 0.00 47.33 47.78 1ml3 h GLY 100 CO -0.28 -0.21 0.46 0.50 0.00 0.00 0.00 176.54 177.01 1ml3 h LYS 101 N -0.52 0.29 0.00 4.80 1.57 -1.79 -0.80 116.57 120.11 1ml3 h LYS 101 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ml3 h LYS 101 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ml3 h LYS 101 CO 0.03 0.19 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.73 1ml3 h LEU 102 N 0.30 0.00 0.00 2.94 4.07 -0.03 -3.48 115.31 119.11 1ml3 h LEU 102 Ca 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1ml3 h LEU 102 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1ml3 h LEU 102 CO -0.08 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.90 1ml3 n GLY 103 N 1.18 0.58 3.69 0.83 0.00 -0.01 -5.02 105.19 106.43 1ml3 n GLY 103 Ca 0.03 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1ml3 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ml3 s VAL 104 N -2.00 4.25 -0.25 1.61 1.01 -0.75 -4.74 120.40 119.53 1ml3 s VAL 104 Ca 0.00 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.58 1ml3 s VAL 104 Cb 0.00 -4.01 -0.17 0.00 0.00 0.00 0.00 36.38 32.20 1ml3 s VAL 104 CO 0.00 0.01 -0.21 1.21 0.00 0.00 0.00 175.10 176.10 1ml3 n GLU 105 N 5.11 0.63 -4.02 2.72 2.13 0.44 -4.31 120.64 123.34 1ml3 n GLU 105 Ca 0.11 0.14 -0.34 0.00 0.66 0.00 0.00 57.16 57.73 1ml3 n GLU 105 Cb 0.46 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.52 1ml3 n GLU 105 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1ml3 s TYR 106 N -2.50 2.94 -0.16 4.31 1.51 -0.62 -1.10 117.35 121.72 1ml3 s TYR 106 Ca -0.33 -1.50 -0.04 0.00 -1.01 0.00 0.00 57.07 54.19 1ml3 s TYR 106 Cb 0.09 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1ml3 s TYR 106 CO 0.59 -0.73 -0.03 0.54 -1.11 0.00 0.00 175.55 174.80 1ml3 s VAL 107 N 1.33 3.88 -0.50 0.71 0.11 -0.44 -0.12 120.40 125.37 1ml3 s VAL 107 Ca 0.03 -0.36 -0.21 0.00 -2.93 0.00 0.00 61.98 58.51 1ml3 s VAL 107 Cb -0.15 -2.71 0.04 0.00 -1.53 0.00 0.00 36.38 32.04 1ml3 s VAL 107 CO -0.08 0.49 0.74 -0.63 -3.33 0.00 0.00 175.10 172.29 1ml3 s ILE 108 N 0.43 4.70 -0.64 7.04 -1.09 0.20 -1.85 121.20 129.99 1ml3 s ILE 108 Ca -0.04 -0.02 -0.23 0.00 -2.23 0.00 0.00 60.65 58.13 1ml3 s ILE 108 Cb -0.14 -4.35 0.06 0.00 -1.58 0.00 0.00 42.46 36.45 1ml3 s ILE 108 CO 0.03 -0.84 0.98 -0.70 -1.23 0.00 0.00 174.94 173.18 1ml3 s GLU 109 N 3.13 3.16 -0.10 2.79 2.56 -0.30 -0.25 118.70 129.69 1ml3 s GLU 109 Ca 0.23 -0.67 0.14 0.00 0.00 0.00 0.00 54.97 54.68 1ml3 s GLU 109 Cb -0.15 -4.18 0.22 0.00 2.00 0.00 0.00 34.13 32.01 1ml3 s GLU 109 CO 0.17 -1.76 1.11 -1.13 -0.56 0.00 0.00 175.26 173.09 1ml3 n SER 110 N 7.75 1.78 0.17 -1.70 3.41 -0.83 -1.46 113.62 122.74 1ml3 n SER 110 Ca -0.02 -2.82 0.04 0.00 -0.26 0.00 0.00 58.87 55.80 1ml3 n SER 110 Cb 0.46 -0.37 0.24 0.00 -0.26 0.00 0.00 64.21 64.27 1ml3 n SER 110 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ml3 h THR 111 N 1.68 0.98 0.00 6.66 1.35 -1.83 -3.44 112.91 118.31 1ml3 h THR 111 Ca 0.00 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 1ml3 h THR 111 Cb 1.09 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1ml3 h THR 111 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1ml3 n GLY 112 N 0.48 0.83 0.05 5.82 0.00 -1.26 -4.86 105.19 106.26 1ml3 n GLY 112 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1ml3 n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ml3 n LEU 113 N 0.00 1.08 -2.56 0.99 4.77 -1.26 -4.56 117.00 115.46 1ml3 n LEU 113 Ca 0.00 -0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 55.29 1ml3 n LEU 113 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1ml3 n LEU 113 CO 0.00 0.26 0.03 0.49 -1.33 0.00 0.00 177.39 176.84 1ml3 n PHE 114 N -1.32 2.15 1.83 -1.77 3.72 -1.26 -4.83 117.46 115.97 1ml3 n PHE 114 Ca 0.04 -2.81 0.16 0.00 -0.05 0.00 0.00 57.45 54.79 1ml3 n PHE 114 Cb 0.34 -0.25 0.86 0.00 -0.94 0.00 0.00 39.48 39.49 1ml3 n PHE 114 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ml3 n THR 115 N -0.32 0.00 -3.06 4.37 -2.24 -1.26 -3.88 114.28 107.89 1ml3 n THR 115 Ca 0.23 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.58 1ml3 n THR 115 Cb 0.77 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 1ml3 n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ml3 s ALA 116 N -2.12 3.59 0.16 6.98 0.00 -1.26 -1.20 121.76 127.91 1ml3 s ALA 116 Ca 0.43 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.77 1ml3 s ALA 116 Cb 0.22 -3.12 0.08 0.00 0.00 0.00 0.00 23.12 20.30 1ml3 s ALA 116 CO 0.39 -0.93 1.26 1.17 0.00 0.00 0.00 175.76 177.65 1ml3 n LYS 117 N 5.86 -0.27 -0.13 0.00 4.81 0.97 -0.66 118.16 128.74 1ml3 n LYS 117 Ca 0.01 1.24 -0.04 0.00 -0.87 0.00 0.00 58.31 58.65 1ml3 n LYS 117 Cb 0.49 -1.84 0.03 0.00 0.02 0.00 0.00 35.03 33.73 1ml3 n LYS 117 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ml3 h ALA 118 N 0.80 0.37 0.53 3.14 0.00 -1.89 -1.36 119.26 120.85 1ml3 h ALA 118 Ca 0.21 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1ml3 h ALA 118 Cb 0.42 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ml3 h ALA 118 CO -0.79 -0.41 -0.26 0.00 0.00 0.00 0.00 179.25 177.80 1ml3 h ALA 119 N 1.38 -0.71 -0.73 0.00 0.00 -1.23 -2.53 119.26 115.44 1ml3 h ALA 119 Ca 0.21 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.16 1ml3 h ALA 119 Cb 0.30 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ml3 h ALA 119 CO -0.37 -0.88 0.58 0.00 0.00 0.00 0.00 179.25 178.59 1ml3 h ALA 120 N -0.30 2.62 0.00 0.00 0.00 -0.92 0.30 119.26 120.96 1ml3 h ALA 120 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ml3 h ALA 120 Cb 0.57 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ml3 h ALA 120 CO 0.12 -0.96 0.00 0.93 0.00 0.00 0.00 179.25 179.34 1ml3 h GLU 121 N 0.00 0.00 -0.81 0.00 5.08 -0.79 -2.65 114.58 115.40 1ml3 h GLU 121 Ca 0.35 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.84 1ml3 h GLU 121 Cb 1.51 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.67 1ml3 h GLU 121 CO -0.00 0.00 0.41 0.78 -1.00 0.00 0.00 179.01 179.19 1ml3 h GLY 122 N 0.48 1.29 -0.15 -3.84 0.00 -0.48 0.89 103.07 101.26 1ml3 h GLY 122 Ca 0.00 -0.24 0.30 0.00 0.00 0.00 0.00 47.33 47.40 1ml3 h GLY 122 CO 0.00 -0.02 0.75 0.45 0.00 0.00 0.00 176.54 177.73 1ml3 h HIS 123 N 0.61 0.14 -0.23 5.60 3.86 -1.61 0.40 115.15 123.92 1ml3 h HIS 123 Ca 0.43 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.60 1ml3 h HIS 123 Cb 0.58 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1ml3 h HIS 123 CO -0.10 0.01 -0.03 -0.07 0.86 0.00 0.00 177.93 178.60 1ml3 h LEU 124 N 0.08 0.42 -1.26 2.43 3.38 -0.97 0.12 115.31 119.52 1ml3 h LEU 124 Ca 0.53 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ml3 h LEU 124 Cb 1.94 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.55 1ml3 h LEU 124 CO -0.06 0.67 0.31 -0.09 0.09 0.00 0.00 178.44 179.36 1ml3 h ARG 125 N 0.17 0.82 0.00 1.13 9.65 -0.29 -0.17 114.38 125.69 1ml3 h ARG 125 Ca 0.06 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1ml3 h ARG 125 Cb 0.47 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1ml3 h ARG 125 CO 0.02 0.61 0.00 0.41 2.80 0.00 0.00 179.97 183.81 1ml3 n GLY 126 N -1.24 -0.63 0.00 2.80 0.00 -0.18 -4.82 105.19 101.12 1ml3 n GLY 126 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ml3 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ml3 n GLY 127 N 0.24 0.84 3.86 -0.02 0.00 -0.08 -1.31 105.19 108.72 1ml3 n GLY 127 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1ml3 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ml3 s ALA 128 N -2.00 3.10 -0.15 4.61 0.00 0.38 -4.05 121.76 123.66 1ml3 s ALA 128 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.12 1ml3 s ALA 128 Cb 0.00 -3.08 -0.17 0.00 0.00 0.00 0.00 23.12 19.87 1ml3 s ALA 128 CO 0.00 -0.40 0.02 -2.13 0.00 0.00 0.00 175.76 173.25 1ml3 n ARG 129 N -2.03 1.48 -3.88 0.00 0.63 -0.26 -4.13 116.66 108.48 1ml3 n ARG 129 Ca 0.06 0.01 -0.11 0.00 -0.92 0.00 0.00 57.85 56.88 1ml3 n ARG 129 Cb 0.54 -1.37 -0.13 0.00 0.45 0.00 0.00 32.46 31.95 1ml3 n ARG 129 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ml3 s LYS 130 N -2.35 0.17 0.01 -0.14 -0.14 -0.55 -4.84 119.74 111.88 1ml3 s LYS 130 Ca -0.09 -0.11 0.05 0.00 -1.36 0.00 0.00 55.97 54.45 1ml3 s LYS 130 Cb 0.05 0.07 -0.01 0.00 -1.68 0.00 0.00 37.83 36.25 1ml3 s LYS 130 CO 0.57 -0.03 -0.14 0.08 -0.76 0.00 0.00 175.35 175.07 1ml3 s VAL 131 N -0.43 1.14 -0.24 3.17 1.01 -0.04 -1.33 120.40 123.68 1ml3 s VAL 131 Ca -0.05 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1ml3 s VAL 131 Cb -0.03 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.43 1ml3 s VAL 131 CO 0.00 0.21 -0.07 -0.69 0.00 0.00 0.00 175.10 174.56 1ml3 s VAL 132 N -0.51 1.66 -0.29 2.92 1.01 -0.77 -1.68 120.40 122.73 1ml3 s VAL 132 Ca 0.04 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1ml3 s VAL 132 Cb -0.06 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1ml3 s VAL 132 CO 0.00 -0.06 1.19 -0.63 0.00 0.00 0.00 175.10 175.60 1ml3 s ILE 133 N 1.34 4.33 -0.58 2.22 1.01 0.26 -1.15 121.20 128.63 1ml3 s ILE 133 Ca -0.06 1.53 -0.07 0.00 0.00 0.00 0.00 60.65 62.05 1ml3 s ILE 133 Cb -0.19 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 37.85 1ml3 s ILE 133 CO -0.06 -0.44 3.32 -1.54 0.00 0.00 0.00 174.94 176.22 1ml3 n SER 134 N 7.16 6.52 0.00 3.58 3.41 -0.54 -2.29 113.62 131.46 1ml3 n SER 134 Ca 0.13 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 1ml3 n SER 134 Cb 0.47 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1ml3 n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ml3 n ALA 135 N 2.67 0.00 -1.48 7.33 0.00 -1.22 -4.96 120.51 122.86 1ml3 n ALA 135 Ca 0.55 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.63 1ml3 n ALA 135 Cb 0.66 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.20 1ml3 n ALA 135 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ml3 n PRO 136 N -0.18 0.74 -4.21 0.00 -0.02 -1.24 -4.10 135.00 125.99 1ml3 n PRO 136 Ca 0.00 0.32 -0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1ml3 n PRO 136 Cb 0.00 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 30.90 1ml3 n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ml3 s ALA 137 N -1.68 1.32 0.45 3.55 0.00 -1.26 -4.84 121.76 119.31 1ml3 s ALA 137 Ca 0.79 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1ml3 s ALA 137 Cb -0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1ml3 s ALA 137 CO 0.45 0.01 0.12 -1.54 0.00 0.00 0.00 175.76 174.80 1ml3 s SER 138 N -2.54 4.24 0.00 0.00 1.04 -0.34 -4.73 113.70 111.37 1ml3 s SER 138 Ca 0.08 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1ml3 s SER 138 Cb -0.03 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1ml3 s SER 138 CO 0.01 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1ml3 n GLY 139 N -1.24 2.83 0.00 7.32 0.00 -1.26 -0.02 105.19 112.81 1ml3 n GLY 139 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ml3 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ml3 n GLY 140 N -2.00 1.58 3.77 -0.02 0.00 -1.26 -4.85 105.19 102.40 1ml3 n GLY 140 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ml3 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ml3 s ALA 141 N -2.00 3.43 0.11 4.61 0.00 -1.26 -4.93 121.76 121.72 1ml3 s ALA 141 Ca 0.00 1.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 1ml3 s ALA 141 Cb 0.00 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1ml3 s ALA 141 CO 0.00 -0.46 1.60 0.21 0.00 0.00 0.00 175.76 177.11 1ml3 s LYS 142 N -1.72 4.21 -0.21 0.00 2.47 -1.24 -4.70 119.74 118.55 1ml3 s LYS 142 Ca 0.48 2.33 -0.11 0.00 -1.56 0.00 0.00 55.97 57.11 1ml3 s LYS 142 Cb -0.36 -3.39 -0.05 0.00 -1.46 0.00 0.00 37.83 32.57 1ml3 s LYS 142 CO 0.47 -0.66 0.18 0.99 0.16 0.00 0.00 175.35 176.49 1ml3 s THR 143 N 1.92 5.37 -0.06 3.43 2.01 -1.26 -0.69 115.64 126.36 1ml3 s THR 143 Ca 0.72 0.27 0.03 0.00 0.31 0.00 0.00 61.69 63.02 1ml3 s THR 143 Cb -0.41 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 68.59 1ml3 s THR 143 CO 0.32 0.39 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.74 1ml3 s LEU 144 N 0.65 1.74 -0.23 4.42 1.43 0.42 -4.82 118.68 122.29 1ml3 s LEU 144 Ca 0.10 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1ml3 s LEU 144 Cb -0.12 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.27 1ml3 s LEU 144 CO 0.01 0.07 -0.11 -0.69 0.23 0.00 0.00 176.35 175.86 1ml3 s VAL 145 N 0.47 2.46 0.19 -1.59 1.01 -1.26 -4.35 120.40 117.34 1ml3 s VAL 145 Ca -0.11 -1.17 -0.33 0.00 0.00 0.00 0.00 61.98 60.37 1ml3 s VAL 145 Cb -0.14 -2.25 -0.14 0.00 0.00 0.00 0.00 36.38 33.85 1ml3 s VAL 145 CO 0.03 0.23 1.42 0.23 0.00 0.00 0.00 175.10 177.01 1ml3 n MET 146 N 4.59 1.86 -0.19 2.72 0.00 -1.26 -0.56 117.12 124.28 1ml3 n MET 146 Ca -0.17 0.66 0.00 0.00 0.00 0.00 0.00 57.70 58.19 1ml3 n MET 146 Cb 0.46 -2.33 0.00 0.00 0.00 0.00 0.00 33.22 31.35 1ml3 n MET 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ml3 n GLY 147 N 2.53 1.88 0.80 3.03 0.00 -1.26 -4.83 105.19 107.35 1ml3 n GLY 147 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 1ml3 n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ml3 n VAL 148 N -2.00 0.21 -2.00 1.61 0.31 0.28 -4.95 118.33 111.79 1ml3 n VAL 148 Ca 0.00 -0.06 -0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1ml3 n VAL 148 Cb 0.00 -1.46 -0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1ml3 n VAL 148 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ml3 n ASN 149 N -3.11 -0.00 0.30 4.52 6.94 -0.87 -4.93 115.26 118.10 1ml3 n ASN 149 Ca -0.07 -1.30 0.20 0.00 -0.02 0.00 0.00 54.58 53.38 1ml3 n ASN 149 Cb 0.55 -0.06 0.94 0.00 -2.36 0.00 0.00 39.78 38.86 1ml3 n ASN 149 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1ml3 h HIS 150 N 0.00 0.00 0.00 -2.53 2.07 -1.91 -0.93 115.15 111.85 1ml3 h HIS 150 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ml3 h HIS 150 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 1ml3 h HIS 150 CO -0.17 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.41 1ml3 n HIS 151 N -3.02 0.00 1.74 6.12 8.25 -1.26 -1.96 115.22 125.09 1ml3 n HIS 151 Ca -0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.60 1ml3 n HIS 151 Cb 0.18 -0.25 0.77 0.00 1.12 0.00 0.00 29.99 31.81 1ml3 n HIS 151 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ml3 n GLU 152 N -1.25 1.14 -1.88 -0.41 1.02 -0.35 -4.87 120.64 114.05 1ml3 n GLU 152 Ca 0.09 -0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 56.48 1ml3 n GLU 152 Cb 0.13 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 1ml3 n GLU 152 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1ml3 s TYR 153 N -2.08 2.92 -0.34 -0.32 5.04 -0.83 -4.97 117.35 116.76 1ml3 s TYR 153 Ca 0.42 0.50 0.02 0.00 -2.44 0.00 0.00 57.07 55.56 1ml3 s TYR 153 Cb 0.21 -3.99 0.09 0.00 0.35 0.00 0.00 41.96 38.62 1ml3 s TYR 153 CO 0.38 -3.74 0.06 1.21 -1.34 0.00 0.00 175.55 172.12 1ml3 s ASN 154 N 1.35 4.86 0.43 4.32 3.84 -1.26 -5.00 114.94 123.48 1ml3 s ASN 154 Ca 0.72 -1.94 0.26 0.00 0.21 0.00 0.00 52.86 52.11 1ml3 s ASN 154 Cb -0.45 -1.68 1.32 0.00 -0.55 0.00 0.00 41.25 39.89 1ml3 s ASN 154 CO 0.32 -0.39 1.68 -0.65 -2.79 0.00 0.00 177.10 175.27 1ml3 h PRO 155 N 7.78 0.19 0.00 0.43 0.11 -1.89 0.76 132.00 139.38 1ml3 h PRO 155 Ca -0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1ml3 h PRO 155 Cb 1.03 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ml3 h PRO 155 CO 0.56 0.12 -0.87 0.66 -0.21 0.00 0.00 178.00 178.26 1ml3 h SER 156 N 0.19 0.00 0.00 -2.05 4.64 -1.97 -3.40 113.55 110.97 1ml3 h SER 156 Ca 0.73 -0.07 -0.26 0.00 -0.47 0.00 0.00 61.79 61.72 1ml3 h SER 156 Cb 2.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.23 1ml3 h SER 156 CO -0.36 0.04 -1.99 1.21 -0.87 0.00 0.00 176.83 174.86 1ml3 n GLU 157 N -2.52 1.11 -3.60 4.77 4.07 0.60 -4.93 120.64 120.15 1ml3 n GLU 157 Ca 0.01 0.05 -0.40 0.00 -0.06 0.00 0.00 57.16 56.75 1ml3 n GLU 157 Cb 0.52 -1.36 -0.10 0.00 -0.06 0.00 0.00 31.44 30.44 1ml3 n GLU 157 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1ml3 s HIS 158 N -2.35 3.35 -0.08 4.31 3.76 0.23 -4.88 115.29 119.64 1ml3 s HIS 158 Ca -0.15 -1.59 0.11 0.00 -0.15 0.00 0.00 55.06 53.28 1ml3 s HIS 158 Cb 0.05 -3.04 -0.17 0.00 1.11 0.00 0.00 32.58 30.54 1ml3 s HIS 158 CO 0.50 -0.87 0.13 0.72 -0.85 0.00 0.00 174.74 174.37 1ml3 n HIS 159 N 4.91 0.00 -3.96 1.40 8.25 -1.26 -4.67 115.22 119.88 1ml3 n HIS 159 Ca -0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.06 1ml3 n HIS 159 Cb 0.43 -0.48 -0.16 0.00 1.12 0.00 0.00 29.99 30.90 1ml3 n HIS 159 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ml3 s VAL 160 N -2.51 1.52 0.30 1.59 1.01 -1.26 -0.86 120.40 120.19 1ml3 s VAL 160 Ca -0.05 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1ml3 s VAL 160 Cb 0.05 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 1ml3 s VAL 160 CO 0.50 0.09 0.04 0.68 0.00 0.00 0.00 175.10 176.42 1ml3 s VAL 161 N 1.44 1.13 -0.03 2.92 -7.23 -0.68 -3.67 120.40 114.28 1ml3 s VAL 161 Ca -0.02 -2.02 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 1ml3 s VAL 161 Cb -0.17 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1ml3 s VAL 161 CO -0.08 -0.07 -0.21 -0.55 -0.31 0.00 0.00 175.10 173.88 1ml3 s SER 162 N -3.44 2.51 -0.10 4.85 0.15 0.14 -0.57 113.70 117.24 1ml3 s SER 162 Ca 0.35 -0.40 0.09 0.00 0.70 0.00 0.00 55.95 56.70 1ml3 s SER 162 Cb 0.08 -0.40 0.45 0.00 -1.71 0.00 0.00 66.02 64.44 1ml3 s SER 162 CO 0.14 0.24 1.24 -3.20 1.20 0.00 0.00 173.24 172.86 1ml3 n ASN 163 N 2.70 3.37 -0.37 5.45 5.15 -0.97 -0.43 115.26 130.15 1ml3 n ASN 163 Ca -0.16 -2.40 0.00 0.00 -0.60 0.00 0.00 54.58 51.42 1ml3 n ASN 163 Cb 0.53 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ml3 n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ml3 n ALA 164 N 0.45 0.00 -2.54 5.20 0.00 -1.26 -4.81 120.51 117.55 1ml3 n ALA 164 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 1ml3 n ALA 164 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.11 1ml3 n ALA 164 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ml3 s SER 165 N -4.00 5.61 0.36 0.00 1.04 -1.26 -3.42 113.70 112.03 1ml3 s SER 165 Ca 0.00 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.15 1ml3 s SER 165 Cb 0.00 -1.15 0.71 0.00 0.10 0.00 0.00 66.02 65.69 1ml3 s SER 165 CO 0.00 -0.34 1.96 0.00 0.98 0.00 0.00 173.24 175.84 1ml3 h THR 167 N 0.79 1.30 -0.63 0.00 2.02 -1.95 -2.94 112.91 111.50 1ml3 h THR 167 Ca 0.31 -1.77 -0.04 0.00 0.77 0.00 0.00 66.41 65.68 1ml3 h THR 167 Cb 0.20 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1ml3 h THR 167 CO -0.10 0.56 0.22 0.74 0.37 0.00 0.00 175.52 177.31 1ml3 h THR 168 N 0.45 1.23 0.00 3.16 2.02 -1.71 -0.35 112.91 117.71 1ml3 h THR 168 Ca -0.01 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1ml3 h THR 168 Cb 1.17 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1ml3 h THR 168 CO 0.12 0.30 0.00 0.59 0.37 0.00 0.00 175.52 176.90 1ml3 n ASN 169 N -4.29 0.28 -0.10 4.18 3.02 -0.64 -0.24 115.26 117.46 1ml3 n ASN 169 Ca 0.05 0.58 -0.23 0.00 -0.03 0.00 0.00 54.58 54.95 1ml3 n ASN 169 Cb 0.19 -0.64 -0.12 0.00 -0.61 0.00 0.00 39.78 38.61 1ml3 n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ml3 h LEU 171 N -0.54 -0.15 -0.77 0.00 6.46 -0.79 -3.35 115.31 116.17 1ml3 h LEU 171 Ca -0.53 -0.39 0.15 0.00 -0.12 0.00 0.00 57.88 56.99 1ml3 h LEU 171 Cb 1.69 0.04 -0.15 0.00 -0.73 0.00 0.00 40.66 41.52 1ml3 h LEU 171 CO -0.19 0.38 -0.19 0.00 -0.62 0.00 0.00 178.44 177.82 1ml3 h ALA 172 N -0.08 0.51 -0.52 1.25 0.00 -0.86 0.11 119.26 119.67 1ml3 h ALA 172 Ca -0.02 0.30 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1ml3 h ALA 172 Cb 0.54 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1ml3 h ALA 172 CO 0.03 -0.41 0.35 -1.35 0.00 0.00 0.00 179.25 177.87 1ml3 h PRO 173 N 0.00 0.27 -0.01 0.00 0.11 -1.77 0.64 132.00 131.24 1ml3 h PRO 173 Ca 0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 1ml3 h PRO 173 Cb 0.56 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1ml3 h PRO 173 CO -0.79 0.18 -0.03 0.82 -0.21 0.00 0.00 178.00 177.97 1ml3 h ILE 174 N 0.28 1.49 -0.71 4.15 1.08 -0.94 -2.74 117.51 120.10 1ml3 h ILE 174 Ca 0.24 -1.47 -0.04 0.00 -0.39 0.00 0.00 64.86 63.19 1ml3 h ILE 174 Cb 0.58 2.46 -0.03 0.00 -3.07 0.00 0.00 36.82 36.76 1ml3 h ILE 174 CO -0.05 0.39 0.27 0.58 -0.69 0.00 0.00 178.15 178.65 1ml3 h VAL 175 N -0.57 1.25 -0.52 1.67 2.07 -0.68 -2.13 116.25 117.35 1ml3 h VAL 175 Ca -0.00 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1ml3 h VAL 175 Cb 0.65 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1ml3 h VAL 175 CO 0.01 0.32 0.34 -0.74 0.02 0.00 0.00 177.57 177.52 1ml3 h HIS 176 N 1.03 0.56 -0.19 1.57 -0.00 0.22 0.54 115.15 118.88 1ml3 h HIS 176 Ca 0.24 0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 60.41 1ml3 h HIS 176 Cb 0.23 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1ml3 h HIS 176 CO 0.02 0.33 -0.69 0.28 -0.00 0.00 0.00 177.93 177.86 1ml3 h VAL 177 N 0.58 1.29 -0.59 5.26 2.07 -1.11 -1.19 116.25 122.55 1ml3 h VAL 177 Ca 0.21 -1.91 -0.09 0.00 0.82 0.00 0.00 66.70 65.73 1ml3 h VAL 177 Cb 0.11 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1ml3 h VAL 177 CO -0.05 0.61 0.03 -0.07 0.02 0.00 0.00 177.57 178.10 1ml3 h LEU 178 N 0.55 0.98 -0.11 2.57 3.38 -0.59 0.11 115.31 122.19 1ml3 h LEU 178 Ca -0.03 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.49 1ml3 h LEU 178 Cb 1.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1ml3 h LEU 178 CO 0.14 1.01 -0.94 0.58 0.09 0.00 0.00 178.44 179.32 1ml3 h VAL 179 N 0.93 1.68 0.06 1.22 2.07 -0.96 0.78 116.25 122.04 1ml3 h VAL 179 Ca 0.17 -3.24 -0.24 0.00 0.82 0.00 0.00 66.70 64.21 1ml3 h VAL 179 Cb 0.50 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1ml3 h VAL 179 CO 0.02 0.92 -1.14 0.50 0.02 0.00 0.00 177.57 177.90 1ml3 h LYS 180 N 0.00 0.13 0.00 1.57 3.64 -1.03 -3.26 116.57 117.62 1ml3 h LYS 180 Ca -0.01 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1ml3 h LYS 180 Cb 1.67 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1ml3 h LYS 180 CO 0.12 1.10 -0.13 0.39 -2.27 0.00 0.00 179.45 178.66 1ml3 n GLU 181 N -3.43 0.04 -0.08 1.90 -0.58 0.38 -4.94 120.64 113.93 1ml3 n GLU 181 Ca -0.05 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1ml3 n GLU 181 Cb 0.98 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 1ml3 n GLU 181 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ml3 n GLY 182 N 1.47 0.54 0.25 0.62 0.00 -1.12 -4.94 105.19 102.02 1ml3 n GLY 182 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1ml3 n GLY 182 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ml3 h PHE 183 N 0.00 0.84 -2.37 1.61 0.04 -1.41 -3.45 116.94 112.19 1ml3 h PHE 183 Ca 0.00 -0.23 0.25 0.00 2.80 0.00 0.00 57.97 60.79 1ml3 h PHE 183 Cb 0.00 -0.19 -0.12 0.00 2.20 0.00 0.00 35.95 37.85 1ml3 h PHE 183 CO 0.00 0.96 -0.74 0.41 -0.60 0.00 0.00 178.31 178.34 1ml3 n GLY 184 N -0.05 -2.75 2.91 -1.45 0.00 0.11 -1.14 105.19 102.82 1ml3 n GLY 184 Ca -0.01 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 1ml3 n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ml3 s VAL 185 N -3.32 0.91 -0.14 1.61 1.01 -1.26 -2.69 120.40 116.51 1ml3 s VAL 185 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1ml3 s VAL 185 Cb 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.38 1ml3 s VAL 185 CO 0.00 0.34 0.04 -0.61 0.00 0.00 0.00 175.10 174.87 1ml3 h GLN 186 N 7.85 0.00 -3.19 2.72 4.15 -1.33 -3.44 115.11 121.87 1ml3 h GLN 186 Ca -0.30 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.03 1ml3 h GLN 186 Cb 1.14 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 28.66 1ml3 h GLN 186 CO 0.41 0.30 -0.21 0.95 -1.93 0.00 0.00 178.83 178.36 1ml3 s THR 187 N -2.09 0.07 -0.00 2.39 -4.23 -1.25 -4.82 115.64 105.72 1ml3 s THR 187 Ca -0.14 -0.59 -0.18 0.00 -1.18 0.00 0.00 61.69 59.59 1ml3 s THR 187 Cb 0.02 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 72.98 1ml3 s THR 187 CO 0.29 -0.33 0.39 -0.83 -0.54 0.00 0.00 174.62 173.61 1ml3 s GLY 188 N -1.97 -0.25 -0.04 3.99 0.00 0.41 -1.79 107.32 107.68 1ml3 s GLY 188 Ca -0.06 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1ml3 s GLY 188 CO -0.02 0.21 -0.07 1.08 0.00 0.00 0.00 173.10 174.30 1ml3 s LEU 189 N -1.52 1.56 0.06 0.66 1.43 0.17 -2.91 118.68 118.12 1ml3 s LEU 189 Ca -0.11 -0.17 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1ml3 s LEU 189 Cb -0.03 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 1ml3 s LEU 189 CO 0.03 0.00 -0.23 0.00 0.23 0.00 0.00 176.35 176.38 1ml3 s MET 190 N 0.58 1.49 -0.03 1.70 0.23 -0.49 0.06 119.30 122.84 1ml3 s MET 190 Ca -0.09 -1.06 0.03 0.00 -1.03 0.00 0.00 55.69 53.54 1ml3 s MET 190 Cb -0.12 -1.68 0.00 0.00 -1.53 0.00 0.00 34.83 31.50 1ml3 s MET 190 CO 0.01 0.42 -0.12 0.99 -2.03 0.00 0.00 175.02 174.30 1ml3 s THR 191 N -0.86 1.00 -0.19 3.16 2.01 -0.22 -1.09 115.64 119.45 1ml3 s THR 191 Ca 0.09 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1ml3 s THR 191 Cb -0.09 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.55 1ml3 s THR 191 CO 0.03 0.30 -0.17 0.28 -0.69 0.00 0.00 174.62 174.36 1ml3 s THR 192 N 0.17 2.22 -0.64 -0.82 -1.32 -0.84 -0.05 115.64 114.35 1ml3 s THR 192 Ca -0.04 -0.95 -0.26 0.00 -1.21 0.00 0.00 61.69 59.23 1ml3 s THR 192 Cb -0.10 -1.97 0.04 0.00 -1.51 0.00 0.00 72.50 68.96 1ml3 s THR 192 CO 0.01 0.48 1.15 -0.63 -2.21 0.00 0.00 174.62 173.42 1ml3 s ILE 193 N 1.30 4.02 -0.10 5.08 1.09 -0.88 -0.63 121.20 131.08 1ml3 s ILE 193 Ca 0.04 0.45 -0.02 0.00 -1.10 0.00 0.00 60.65 60.02 1ml3 s ILE 193 Cb -0.14 -4.76 -0.03 0.00 -1.06 0.00 0.00 42.46 36.47 1ml3 s ILE 193 CO -0.11 -1.50 -0.01 -2.28 -0.10 0.00 0.00 174.94 170.93 1ml3 s HIS 194 N 4.94 3.11 0.65 3.97 2.46 0.96 -1.76 115.29 129.62 1ml3 s HIS 194 Ca 0.35 0.09 -0.16 0.00 0.47 0.00 0.00 55.06 55.80 1ml3 s HIS 194 Cb -0.10 -1.82 -0.00 0.00 -0.13 0.00 0.00 32.58 30.53 1ml3 s HIS 194 CO 0.19 0.35 1.15 -1.12 -2.47 0.00 0.00 174.74 172.84 1ml3 s SER 195 N -0.60 4.97 0.85 9.88 0.01 -1.25 0.26 113.70 127.82 1ml3 s SER 195 Ca 0.10 2.18 -0.11 0.00 1.31 0.00 0.00 55.95 59.43 1ml3 s SER 195 Cb -0.12 -2.57 0.10 0.00 0.21 0.00 0.00 66.02 63.64 1ml3 s SER 195 CO 0.02 -1.73 1.10 -0.72 0.41 0.00 0.00 173.24 172.32 1ml3 s TYR 196 N -2.04 2.30 0.24 2.43 -0.85 -0.79 -4.73 117.35 113.92 1ml3 s TYR 196 Ca 0.71 1.50 0.02 0.00 -0.52 0.00 0.00 57.07 58.78 1ml3 s TYR 196 Cb -0.25 -3.13 -0.01 0.00 0.38 0.00 0.00 41.96 38.95 1ml3 s TYR 196 CO 0.39 -2.21 0.09 0.25 -1.52 0.00 0.00 175.55 172.54 1ml3 n THR 197 N -3.80 0.00 0.29 -3.49 -2.24 -1.26 -4.75 114.28 99.04 1ml3 n THR 197 Ca 0.09 -1.42 0.17 0.00 -2.27 0.00 0.00 64.05 60.62 1ml3 n THR 197 Cb 0.54 0.51 0.85 0.00 -2.10 0.00 0.00 70.33 70.12 1ml3 n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ml3 h ALA 198 N 1.40 1.09 0.00 6.98 0.00 -1.98 -2.37 119.26 124.38 1ml3 h ALA 198 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ml3 h ALA 198 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ml3 h ALA 198 CO 0.30 0.06 -0.00 1.79 0.00 0.00 0.00 179.25 181.39 1ml3 h THR 199 N 0.00 0.00 -4.10 0.00 1.35 -1.98 -3.46 112.91 104.72 1ml3 h THR 199 Ca -0.00 -0.54 -0.46 0.00 -0.55 0.00 0.00 66.41 64.87 1ml3 h THR 199 Cb 0.32 1.53 0.13 0.00 -1.73 0.00 0.00 68.15 68.40 1ml3 h THR 199 CO 0.01 0.00 0.39 -1.10 -0.25 0.00 0.00 175.52 174.56 1ml3 s GLN 200 N -3.11 1.25 0.11 4.72 -0.21 -0.89 -4.95 119.66 116.57 1ml3 s GLN 200 Ca 0.10 -0.26 0.11 0.00 0.02 0.00 0.00 55.36 55.32 1ml3 s GLN 200 Cb 0.12 -1.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.16 1ml3 s GLN 200 CO 0.61 -2.00 -0.27 0.15 -2.12 0.00 0.00 175.29 171.65 1ml3 s LYS 201 N -5.70 1.49 0.11 2.91 3.01 -1.25 -4.98 119.74 115.32 1ml3 s LYS 201 Ca 0.69 -1.29 -0.15 0.00 -1.01 0.00 0.00 55.97 54.20 1ml3 s LYS 201 Cb -0.07 -1.91 -0.05 0.00 -1.01 0.00 0.00 37.83 34.79 1ml3 s LYS 201 CO 0.51 0.46 1.50 1.79 0.51 0.00 0.00 175.35 180.12 1ml3 h THR 202 N 3.96 1.28 -2.55 2.17 1.35 -1.92 0.31 112.91 117.52 1ml3 h THR 202 Ca -0.50 -1.19 -0.51 0.00 -0.55 0.00 0.00 66.41 63.66 1ml3 h THR 202 Cb 1.16 1.34 -0.14 0.00 -1.73 0.00 0.00 68.15 68.78 1ml3 h THR 202 CO 0.40 0.39 -0.67 0.68 -0.25 0.00 0.00 175.52 176.07 1ml3 s VAL 203 N -4.72 1.72 -0.14 6.82 -7.23 -1.26 -3.88 120.40 111.70 1ml3 s VAL 203 Ca -0.13 -2.13 -0.35 0.00 -1.81 0.00 0.00 61.98 57.56 1ml3 s VAL 203 Cb 0.09 -2.49 -0.12 0.00 0.56 0.00 0.00 36.38 34.43 1ml3 s VAL 203 CO 0.80 -0.28 1.92 0.47 -0.31 0.00 0.00 175.10 177.71 1ml3 n ASP 204 N -0.62 3.22 -3.81 4.85 8.00 -1.26 -4.24 116.55 122.70 1ml3 n ASP 204 Ca -0.05 0.89 -0.15 0.00 0.71 0.00 0.00 54.79 56.19 1ml3 n ASP 204 Cb 0.63 -1.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.30 1ml3 n ASP 204 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ml3 s GLY 205 N 4.58 1.74 0.12 0.44 0.00 0.51 -4.96 107.32 109.75 1ml3 s GLY 205 Ca 0.95 -1.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.57 1ml3 s GLY 205 CO 0.52 -1.36 1.40 0.14 0.00 0.00 0.00 173.10 173.80 1ml3 s VAL 206 N -3.81 3.24 -0.47 1.40 1.01 -1.26 -4.56 120.40 115.95 1ml3 s VAL 206 Ca 0.38 0.89 0.06 0.00 0.00 0.00 0.00 61.98 63.32 1ml3 s VAL 206 Cb 0.04 -3.57 0.18 0.00 0.00 0.00 0.00 36.38 33.03 1ml3 s VAL 206 CO 0.18 0.07 0.58 -0.55 0.00 0.00 0.00 175.10 175.38 1ml3 s SER 207 N 1.09 -0.41 0.50 3.32 0.15 -1.26 -4.94 113.70 112.15 1ml3 s SER 207 Ca 0.65 -2.05 0.17 0.00 0.70 0.00 0.00 55.95 55.42 1ml3 s SER 207 Cb -0.37 1.12 1.24 0.00 -1.71 0.00 0.00 66.02 66.29 1ml3 s SER 207 CO 0.30 -0.11 2.11 -0.37 1.20 0.00 0.00 173.24 176.37 1ml3 h VAL 208 N 4.89 0.99 0.00 4.45 -1.51 -1.96 -2.64 116.25 120.47 1ml3 h VAL 208 Ca 0.12 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1ml3 h VAL 208 Cb 1.05 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1ml3 h VAL 208 CO 0.14 0.06 -0.35 0.29 -1.23 0.00 0.00 177.57 176.48 1ml3 n LYS 209 N -4.39 0.10 -3.16 5.19 4.76 -1.26 -4.64 118.16 114.76 1ml3 n LYS 209 Ca -0.03 0.04 0.01 0.00 -2.87 0.00 0.00 58.31 55.47 1ml3 n LYS 209 Cb 0.14 -1.58 -0.01 0.00 -1.84 0.00 0.00 35.03 31.75 1ml3 n LYS 209 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ml3 s ASP 210 N -3.46 -1.41 0.16 4.39 2.15 -1.01 -5.06 116.67 112.44 1ml3 s ASP 210 Ca 0.11 -0.61 -0.16 0.00 0.43 0.00 0.00 52.55 52.31 1ml3 s ASP 210 Cb 0.16 1.80 0.10 0.00 -0.30 0.00 0.00 42.92 44.68 1ml3 s ASP 210 CO 0.65 -0.17 1.70 -0.50 -0.17 0.00 0.00 175.17 176.68 1ml3 h TRP 211 N 6.93 -0.02 -0.99 -5.34 4.06 -1.78 -1.75 115.95 117.06 1ml3 h TRP 211 Ca 0.03 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.07 1ml3 h TRP 211 Cb 1.19 0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 29.35 1ml3 h TRP 211 CO 0.13 -0.07 0.64 0.00 -3.56 0.00 0.00 178.44 175.58 1ml3 h ARG 212 N 0.11 1.16 0.00 0.49 3.08 -1.90 -1.62 114.38 115.69 1ml3 h ARG 212 Ca 0.19 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1ml3 h ARG 212 Cb 0.26 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ml3 h ARG 212 CO -0.31 0.77 0.00 0.41 -1.07 0.00 0.00 179.97 179.77 1ml3 n GLY 213 N -1.36 -0.57 0.47 0.04 0.00 -0.67 -1.90 105.19 101.21 1ml3 n GLY 213 Ca 0.14 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1ml3 n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ml3 n GLY 214 N -0.80 -0.06 3.86 -0.02 0.00 -0.61 -3.94 105.19 103.61 1ml3 n GLY 214 Ca 0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1ml3 n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ml3 s ARG 215 N -2.35 3.77 -0.41 1.61 1.81 -0.80 -0.36 118.95 122.23 1ml3 s ARG 215 Ca 0.25 0.79 -0.40 0.00 -1.72 0.00 0.00 55.73 54.64 1ml3 s ARG 215 Cb 0.19 -2.15 -0.15 0.00 -0.45 0.00 0.00 34.95 32.39 1ml3 s ARG 215 CO 0.48 -0.37 2.10 0.00 -0.68 0.00 0.00 175.30 176.84 1ml3 n ALA 216 N -2.06 0.51 -0.11 2.13 0.00 -1.26 -4.29 120.51 115.44 1ml3 n ALA 216 Ca 0.06 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1ml3 n ALA 216 Cb 0.54 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 1ml3 n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ml3 h ALA 217 N 10.21 0.42 0.00 0.00 0.00 -0.49 -3.21 119.26 126.18 1ml3 h ALA 217 Ca -0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ml3 h ALA 217 Cb 1.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ml3 h ALA 217 CO 1.04 0.15 0.00 0.00 0.00 0.00 0.00 179.25 180.44 1ml3 n ALA 218 N -2.36 2.55 -2.12 0.00 0.00 -1.26 -3.54 120.51 113.78 1ml3 n ALA 218 Ca -0.02 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.35 1ml3 n ALA 218 Cb 0.25 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.49 1ml3 n ALA 218 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ml3 n VAL 219 N -0.75 0.35 -3.76 0.00 0.24 -1.22 -4.75 118.33 108.44 1ml3 n VAL 219 Ca 0.12 -0.94 -0.12 0.00 -2.04 0.00 0.00 64.34 61.36 1ml3 n VAL 219 Cb 0.05 0.60 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 1ml3 n VAL 219 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1ml3 s ASN 220 N -1.82 -0.13 -0.33 -1.34 0.01 -1.22 -5.03 114.94 105.09 1ml3 s ASN 220 Ca 0.22 -0.13 -0.13 0.00 -0.71 0.00 0.00 52.86 52.10 1ml3 s ASN 220 Cb 0.24 0.34 -0.02 0.00 0.41 0.00 0.00 41.25 42.21 1ml3 s ASN 220 CO -0.08 -0.56 0.25 -0.63 -1.51 0.00 0.00 177.10 174.56 1ml3 s ILE 221 N -2.22 5.27 -0.35 0.60 1.01 -1.26 -4.15 121.20 120.10 1ml3 s ILE 221 Ca -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 1ml3 s ILE 221 Cb -0.02 -3.69 0.09 0.00 0.01 0.00 0.00 42.46 38.85 1ml3 s ILE 221 CO -0.01 0.03 0.09 -0.63 0.00 0.00 0.00 174.94 174.42 1ml3 s ILE 222 N 1.77 2.87 0.67 2.92 1.01 0.66 -4.90 121.20 126.20 1ml3 s ILE 222 Ca 0.07 -1.93 -0.17 0.00 0.00 0.00 0.00 60.65 58.62 1ml3 s ILE 222 Cb -0.17 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 1ml3 s ILE 222 CO 0.11 -0.47 0.96 -2.65 0.00 0.00 0.00 174.94 172.88 1ml3 n PRO 223 N 4.50 0.67 -3.61 2.79 -0.02 -1.26 -1.09 135.00 136.98 1ml3 n PRO 223 Ca -0.04 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.58 1ml3 n PRO 223 Cb 0.42 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 1ml3 n PRO 223 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ml3 s SER 224 N -1.47 -0.65 0.78 2.55 0.15 0.12 -4.77 113.70 110.41 1ml3 s SER 224 Ca 0.75 1.15 -0.12 0.00 0.70 0.00 0.00 55.95 58.43 1ml3 s SER 224 Cb -0.37 1.13 0.06 0.00 -1.71 0.00 0.00 66.02 65.13 1ml3 s SER 224 CO 0.48 -0.29 1.12 0.42 1.20 0.00 0.00 173.24 176.17 1ml3 s THR 225 N 0.01 2.90 0.09 6.45 -4.23 -1.26 -0.48 115.64 119.12 1ml3 s THR 225 Ca -0.01 0.29 -0.25 0.00 -1.18 0.00 0.00 61.69 60.54 1ml3 s THR 225 Cb -0.04 -3.17 0.07 0.00 1.34 0.00 0.00 72.50 70.70 1ml3 s THR 225 CO 0.01 -0.38 0.61 0.28 -0.54 0.00 0.00 174.62 174.60 1ml3 s THR 226 N -3.31 0.00 -1.31 3.99 -1.32 -1.25 -4.67 115.64 107.77 1ml3 s THR 226 Ca 0.60 -0.04 0.11 0.00 -1.21 0.00 0.00 61.69 61.16 1ml3 s THR 226 Cb -0.13 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 69.99 1ml3 s THR 226 CO 0.52 -0.02 0.93 0.61 -2.21 0.00 0.00 174.62 174.45 1ml3 n GLY 227 N 0.05 0.25 0.33 6.08 0.00 -1.26 -4.65 105.19 105.99 1ml3 n GLY 227 Ca -0.18 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.59 1ml3 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ml3 h ALA 228 N 2.17 1.39 -0.20 4.61 0.00 -1.96 0.23 119.26 125.50 1ml3 h ALA 228 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1ml3 h ALA 228 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ml3 h ALA 228 CO 0.00 -0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.77 1ml3 h ALA 229 N 1.56 0.32 -0.83 0.00 0.00 -1.89 -2.96 119.26 115.47 1ml3 h ALA 229 Ca 0.49 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ml3 h ALA 229 Cb 0.64 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1ml3 h ALA 229 CO -0.34 0.48 0.37 0.87 0.00 0.00 0.00 179.25 180.64 1ml3 h LYS 230 N 0.37 1.20 -0.15 0.00 6.56 -1.53 -2.24 116.57 120.78 1ml3 h LYS 230 Ca -0.00 -0.19 0.04 0.00 -1.06 0.00 0.00 60.65 59.44 1ml3 h LYS 230 Cb 1.09 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.53 1ml3 h LYS 230 CO 0.10 0.94 0.12 0.00 -2.06 0.00 0.00 179.45 178.55 1ml3 h ALA 231 N 1.22 1.98 -0.01 3.86 0.00 -0.88 0.38 119.26 125.80 1ml3 h ALA 231 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ml3 h ALA 231 Cb 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ml3 h ALA 231 CO -0.03 -0.19 0.02 0.28 0.00 0.00 0.00 179.25 179.33 1ml3 h VAL 232 N 0.00 0.34 0.00 0.00 2.07 -1.24 0.26 116.25 117.68 1ml3 h VAL 232 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1ml3 h VAL 232 Cb 0.31 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1ml3 h VAL 232 CO -0.00 0.00 -0.09 1.23 0.02 0.00 0.00 177.57 178.73 1ml3 h GLY 233 N 0.00 0.00 1.84 2.17 0.00 -1.04 0.60 103.07 106.63 1ml3 h GLY 233 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1ml3 h GLY 233 CO -0.00 0.00 -1.04 -0.33 0.00 0.00 0.00 176.54 175.17 1ml3 h MET 234 N 0.00 0.00 0.00 4.80 2.86 -1.08 -2.84 114.93 118.68 1ml3 h MET 234 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1ml3 h MET 234 Cb 0.64 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1ml3 h MET 234 CO 0.01 0.84 -1.36 0.28 1.06 0.00 0.00 176.91 177.75 1ml3 n VAL 235 N -3.28 1.08 -3.46 -2.22 0.31 -1.09 -4.58 118.33 105.10 1ml3 n VAL 235 Ca -0.02 -0.67 -0.28 0.00 -0.01 0.00 0.00 64.34 63.36 1ml3 n VAL 235 Cb 0.92 -0.66 -0.11 0.00 -0.91 0.00 0.00 33.84 33.08 1ml3 n VAL 235 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ml3 s ILE 236 N -3.00 0.44 0.48 2.52 1.01 0.18 -4.77 121.20 118.05 1ml3 s ILE 236 Ca -0.03 -2.37 0.31 0.00 0.00 0.00 0.00 60.65 58.56 1ml3 s ILE 236 Cb 0.09 -1.32 0.51 0.00 0.01 0.00 0.00 42.46 41.75 1ml3 s ILE 236 CO 0.81 -1.12 1.73 -0.65 0.00 0.00 0.00 174.94 175.71 1ml3 h PRO 237 N 6.19 0.14 0.00 2.79 0.11 -1.74 -0.88 132.00 138.61 1ml3 h PRO 237 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1ml3 h PRO 237 Cb 0.93 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1ml3 h PRO 237 CO 0.35 0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 1ml3 n SER 238 N -4.41 0.00 -0.48 -2.05 3.41 -1.26 -1.57 113.62 107.26 1ml3 n SER 238 Ca 0.30 0.41 0.05 0.00 -0.26 0.00 0.00 58.87 59.37 1ml3 n SER 238 Cb 1.24 -0.43 0.07 0.00 -0.26 0.00 0.00 64.21 64.83 1ml3 n SER 238 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ml3 n THR 239 N -1.43 0.22 -1.66 6.66 -2.24 -0.33 -4.96 114.28 110.54 1ml3 n THR 239 Ca 0.02 -0.61 -0.47 0.00 -2.27 0.00 0.00 64.05 60.72 1ml3 n THR 239 Cb 0.06 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 1ml3 n THR 239 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ml3 n GLN 240 N 0.58 1.97 -0.64 -0.78 6.02 -0.61 -1.36 117.38 122.57 1ml3 n GLN 240 Ca 0.07 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 1ml3 n GLN 240 Cb 0.31 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.13 1ml3 n GLN 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ml3 n GLY 241 N 3.01 0.99 0.38 1.08 0.00 -1.26 -4.80 105.19 104.58 1ml3 n GLY 241 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1ml3 n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ml3 n LYS 242 N -2.00 1.66 -4.25 1.61 5.02 -0.46 -5.00 118.16 114.74 1ml3 n LYS 242 Ca 0.00 -0.85 -0.17 0.00 -2.02 0.00 0.00 58.31 55.27 1ml3 n LYS 242 Cb 0.00 -1.28 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 1ml3 n LYS 242 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ml3 s LEU 243 N -1.99 2.16 0.20 -0.35 1.02 -1.23 -0.44 118.68 118.05 1ml3 s LEU 243 Ca 0.14 -0.41 -0.22 0.00 0.02 0.00 0.00 54.13 53.65 1ml3 s LEU 243 Cb 0.13 -0.43 0.07 0.00 0.02 0.00 0.00 46.19 45.98 1ml3 s LEU 243 CO 0.39 -0.02 0.99 0.28 0.02 0.00 0.00 176.35 178.01 1ml3 s THR 244 N -0.84 0.00 0.00 5.49 -1.32 -1.15 -3.90 115.64 113.92 1ml3 s THR 244 Ca -0.01 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 1ml3 s THR 244 Cb -0.07 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1ml3 s THR 244 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1ml3 n GLY 245 N -0.61 -0.67 0.97 6.08 0.00 -1.26 -1.40 105.19 108.29 1ml3 n GLY 245 Ca -0.04 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 1ml3 n GLY 245 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ml3 n MET 246 N -0.28 1.20 -3.90 1.61 0.00 -0.25 -3.86 117.12 111.65 1ml3 n MET 246 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 57.70 56.60 1ml3 n MET 246 Cb 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 33.22 33.51 1ml3 n MET 246 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ml3 s SER 247 N -1.73 0.07 -0.23 3.17 0.15 0.37 -1.99 113.70 113.50 1ml3 s SER 247 Ca 0.03 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1ml3 s SER 247 Cb 0.00 0.08 0.05 0.00 -1.71 0.00 0.00 66.02 64.44 1ml3 s SER 247 CO 0.02 -0.13 -0.11 -0.36 1.20 0.00 0.00 173.24 173.86 1ml3 s PHE 248 N -0.59 2.81 -0.22 3.44 0.08 0.20 0.16 117.98 123.86 1ml3 s PHE 248 Ca -0.07 -1.94 -0.28 0.00 0.12 0.00 0.00 56.93 54.76 1ml3 s PHE 248 Cb -0.04 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1ml3 s PHE 248 CO -0.00 -0.81 1.00 1.03 -0.10 0.00 0.00 175.22 176.34 1ml3 s ARG 249 N 1.26 4.27 0.31 0.44 1.81 -0.25 -0.03 118.95 126.76 1ml3 s ARG 249 Ca -0.05 1.30 0.10 0.00 -1.72 0.00 0.00 55.73 55.36 1ml3 s ARG 249 Cb -0.18 -3.63 -0.05 0.00 -0.45 0.00 0.00 34.95 30.64 1ml3 s ARG 249 CO -0.07 -0.57 -0.03 0.14 -0.68 0.00 0.00 175.30 174.09 1ml3 s VAL 250 N 2.99 2.76 -0.54 3.52 -7.23 0.14 -0.25 120.40 121.79 1ml3 s VAL 250 Ca 0.43 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.50 1ml3 s VAL 250 Cb -0.15 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 1ml3 s VAL 250 CO 0.08 -0.28 1.67 -2.65 -0.31 0.00 0.00 175.10 173.61 1ml3 n PRO 251 N -0.87 1.21 -4.13 4.82 -0.02 -1.26 -2.89 135.00 131.85 1ml3 n PRO 251 Ca -0.05 -1.11 -0.15 0.00 -2.02 0.00 0.00 63.50 60.17 1ml3 n PRO 251 Cb 0.61 -2.31 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 1ml3 n PRO 251 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ml3 s THR 252 N 4.21 0.41 0.13 3.45 -4.23 -1.26 -5.01 115.64 113.35 1ml3 s THR 252 Ca 0.27 -0.38 0.24 0.00 -1.18 0.00 0.00 61.69 60.64 1ml3 s THR 252 Cb 0.07 -0.38 0.23 0.00 1.34 0.00 0.00 72.50 73.76 1ml3 s THR 252 CO 0.00 0.01 1.82 1.55 -0.54 0.00 0.00 174.62 177.47 1ml3 h PRO 253 N 5.73 0.00 -2.31 3.99 0.13 -1.88 -2.09 132.00 135.58 1ml3 h PRO 253 Ca -0.29 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1ml3 h PRO 253 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 1ml3 h PRO 253 CO 0.48 0.23 0.31 0.34 -0.23 0.00 0.00 178.00 179.13 1ml3 s ASP 254 N -6.20 -0.53 0.00 1.44 2.15 -1.26 -4.76 116.67 107.51 1ml3 s ASP 254 Ca 0.01 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1ml3 s ASP 254 Cb 0.10 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.22 1ml3 s ASP 254 CO 0.64 -0.69 0.00 0.52 -0.17 0.00 0.00 175.17 175.47 1ml3 n VAL 255 N 0.26 -0.64 -4.29 1.11 0.31 -1.26 -4.90 118.33 108.91 1ml3 n VAL 255 Ca -0.15 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.01 1ml3 n VAL 255 Cb 0.61 -0.47 -0.06 0.00 -0.91 0.00 0.00 33.84 33.01 1ml3 n VAL 255 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1ml3 n SER 256 N -0.41 0.13 -3.78 4.52 7.64 -0.38 -3.78 113.62 117.56 1ml3 n SER 256 Ca 0.00 -2.69 -0.13 0.00 1.01 0.00 0.00 58.87 57.06 1ml3 n SER 256 Cb 0.00 1.10 -0.10 0.00 -1.01 0.00 0.00 64.21 64.20 1ml3 n SER 256 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ml3 s VAL 257 N -2.93 0.04 -0.20 0.44 0.11 -0.72 -1.97 120.40 115.16 1ml3 s VAL 257 Ca 0.25 -0.31 -0.10 0.00 -2.93 0.00 0.00 61.98 58.88 1ml3 s VAL 257 Cb 0.01 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1ml3 s VAL 257 CO 0.18 -0.17 0.13 -0.69 -3.33 0.00 0.00 175.10 171.22 1ml3 s VAL 258 N -0.73 5.41 -0.61 2.04 1.01 0.37 -2.07 120.40 125.82 1ml3 s VAL 258 Ca -0.08 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1ml3 s VAL 258 Cb -0.04 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 33.02 1ml3 s VAL 258 CO 0.02 0.44 0.39 -0.62 0.00 0.00 0.00 175.10 175.33 1ml3 s ASP 259 N 0.37 4.85 -0.17 3.32 -1.08 0.93 -0.93 116.67 123.95 1ml3 s ASP 259 Ca 0.08 -3.08 -0.17 0.00 -0.52 0.00 0.00 52.55 48.86 1ml3 s ASP 259 Cb -0.11 -1.75 -0.04 0.00 -1.46 0.00 0.00 42.92 39.56 1ml3 s ASP 259 CO -0.02 -0.27 0.43 -0.22 0.52 0.00 0.00 175.17 175.61 1ml3 s LEU 260 N -0.39 4.20 -0.16 -1.34 2.96 -0.34 -1.05 118.68 122.56 1ml3 s LEU 260 Ca 0.18 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1ml3 s LEU 260 Cb -0.21 -2.58 0.01 0.00 0.50 0.00 0.00 46.19 43.92 1ml3 s LEU 260 CO -0.04 -0.05 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.84 1ml3 s THR 261 N 1.08 2.03 0.17 3.68 2.01 0.11 -0.35 115.64 124.37 1ml3 s THR 261 Ca 0.21 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 1ml3 s THR 261 Cb -0.15 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1ml3 s THR 261 CO 0.08 0.54 0.35 0.72 -0.69 0.00 0.00 174.62 175.62 1ml3 s PHE 262 N 1.03 0.26 -0.23 4.92 -0.71 -0.33 0.42 117.98 123.33 1ml3 s PHE 262 Ca -0.02 -0.62 -0.04 0.00 -1.04 0.00 0.00 56.93 55.22 1ml3 s PHE 262 Cb -0.14 0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 1ml3 s PHE 262 CO -0.07 -0.77 -0.03 0.95 -1.34 0.00 0.00 175.22 173.96 1ml3 s THR 263 N -3.94 3.33 0.88 -4.49 -4.23 -0.74 -0.57 115.64 105.87 1ml3 s THR 263 Ca 0.15 -0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 59.93 1ml3 s THR 263 Cb 0.02 -2.58 0.12 0.00 1.34 0.00 0.00 72.50 71.41 1ml3 s THR 263 CO -0.01 0.34 1.14 0.00 -0.54 0.00 0.00 174.62 175.55 1ml3 s ALA 264 N 1.45 1.65 -1.11 3.99 0.00 0.04 -1.09 121.76 126.70 1ml3 s ALA 264 Ca 0.04 0.56 0.29 0.00 0.00 0.00 0.00 51.96 52.85 1ml3 s ALA 264 Cb -0.15 -3.42 1.30 0.00 0.00 0.00 0.00 23.12 20.85 1ml3 s ALA 264 CO -0.03 -2.53 1.96 0.00 0.00 0.00 0.00 175.76 175.15 1ml3 n ALA 265 N -4.02 2.36 -3.35 0.00 0.00 -0.29 -4.45 120.51 110.76 1ml3 n ALA 265 Ca 0.11 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1ml3 n ALA 265 Cb 0.52 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 1ml3 n ALA 265 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ml3 s ARG 266 N -2.89 0.94 0.33 0.00 1.04 -1.22 -5.01 118.95 112.14 1ml3 s ARG 266 Ca 0.18 -0.06 -0.26 0.00 -1.04 0.00 0.00 55.73 54.54 1ml3 s ARG 266 Cb 0.19 0.43 -0.13 0.00 -2.04 0.00 0.00 34.95 33.40 1ml3 s ARG 266 CO 0.51 -0.30 0.89 -0.25 -0.04 0.00 0.00 175.30 176.11 1ml3 n ASP 267 N 0.82 0.72 0.00 -2.89 9.92 -1.26 -4.85 116.55 119.02 1ml3 n ASP 267 Ca -0.19 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.17 1ml3 n ASP 267 Cb 0.58 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 1ml3 n ASP 267 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1ml3 n THR 268 N -0.11 0.00 -3.62 -3.53 5.66 -0.30 -5.04 114.28 107.34 1ml3 n THR 268 Ca 0.11 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.99 1ml3 n THR 268 Cb 0.34 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.07 1ml3 n THR 268 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ml3 s SER 269 N 2.00 -0.28 0.38 1.09 1.04 -1.26 -4.09 113.70 112.57 1ml3 s SER 269 Ca 0.00 -0.20 0.09 0.00 0.48 0.00 0.00 55.95 56.32 1ml3 s SER 269 Cb 0.00 0.47 0.74 0.00 0.10 0.00 0.00 66.02 67.34 1ml3 s SER 269 CO 0.00 -0.82 1.88 -0.29 0.98 0.00 0.00 173.24 175.00 1ml3 h ILE 270 N 2.49 1.20 -0.34 -1.02 6.09 -1.94 -2.23 117.51 121.76 1ml3 h ILE 270 Ca -0.33 -0.91 -0.13 0.00 -1.37 0.00 0.00 64.86 62.13 1ml3 h ILE 270 Cb 1.25 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 39.83 1ml3 h ILE 270 CO 0.45 0.28 -0.30 1.56 -3.07 0.00 0.00 178.15 177.07 1ml3 h GLN 271 N 0.20 0.73 -0.50 2.19 7.50 -1.96 -0.03 115.11 123.24 1ml3 h GLN 271 Ca 0.04 -0.33 -0.06 0.00 0.50 0.00 0.00 58.65 58.79 1ml3 h GLN 271 Cb 0.45 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.94 1ml3 h GLN 271 CO 0.03 0.94 0.05 1.49 -1.50 0.00 0.00 178.83 179.83 1ml3 h GLU 272 N 0.62 0.80 -0.22 1.46 4.81 -1.83 -1.44 114.58 118.79 1ml3 h GLU 272 Ca 0.07 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 1ml3 h GLU 272 Cb 0.82 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1ml3 h GLU 272 CO 0.07 0.78 -0.40 0.82 -0.73 0.00 0.00 179.01 179.55 1ml3 h ILE 273 N 0.76 1.32 -0.42 2.32 2.04 -1.13 -2.42 117.51 119.97 1ml3 h ILE 273 Ca 0.16 -1.62 0.07 0.00 1.00 0.00 0.00 64.86 64.47 1ml3 h ILE 273 Cb 0.39 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.23 1ml3 h ILE 273 CO 0.01 0.51 0.08 -0.78 0.00 0.00 0.00 178.15 177.97 1ml3 h ASP 274 N 0.35 0.01 -0.24 1.72 3.58 -0.68 -0.17 116.42 120.98 1ml3 h ASP 274 Ca 0.01 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1ml3 h ASP 274 Cb 1.00 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1ml3 h ASP 274 CO 0.09 0.04 0.15 0.00 -2.88 0.00 0.00 179.24 176.64 1ml3 h ALA 275 N 1.32 0.31 -0.74 -0.78 0.00 -1.25 -1.28 119.26 116.83 1ml3 h ALA 275 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ml3 h ALA 275 Cb 0.26 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ml3 h ALA 275 CO -0.27 -0.20 0.49 0.00 0.00 0.00 0.00 179.25 179.27 1ml3 h ALA 276 N 1.06 0.95 -0.03 0.00 0.00 -0.90 0.14 119.26 120.48 1ml3 h ALA 276 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ml3 h ALA 276 Cb 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1ml3 h ALA 276 CO -0.02 0.35 0.00 -0.07 0.00 0.00 0.00 179.25 179.52 1ml3 h LEU 277 N 1.00 0.05 -0.00 0.00 3.38 -0.88 -1.07 115.31 117.79 1ml3 h LEU 277 Ca 0.28 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ml3 h LEU 277 Cb -0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1ml3 h LEU 277 CO -0.07 0.31 -0.09 0.11 0.09 0.00 0.00 178.44 178.79 1ml3 h LYS 278 N -0.21 -0.16 -0.69 1.13 1.57 -0.98 -1.83 116.57 115.40 1ml3 h LYS 278 Ca 0.01 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1ml3 h LYS 278 Cb 0.28 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 1ml3 h LYS 278 CO 0.00 -0.10 0.30 -0.09 -0.57 0.00 0.00 179.45 178.99 1ml3 h ARG 279 N -0.16 0.49 -0.36 3.15 2.43 -0.69 -1.01 114.38 118.22 1ml3 h ARG 279 Ca 0.04 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1ml3 h ARG 279 Cb 0.21 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1ml3 h ARG 279 CO -0.10 0.33 -0.05 0.00 -1.51 0.00 0.00 179.97 178.64 1ml3 h ALA 280 N 1.45 1.25 -0.97 2.80 0.00 -0.87 -2.40 119.26 120.51 1ml3 h ALA 280 Ca 0.35 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1ml3 h ALA 280 Cb 0.43 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1ml3 h ALA 280 CO -0.31 0.50 0.63 0.77 0.00 0.00 0.00 179.25 180.84 1ml3 h SER 281 N 0.55 1.00 0.34 0.00 0.02 -0.34 0.15 113.55 115.29 1ml3 h SER 281 Ca 0.11 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1ml3 h SER 281 Cb 0.43 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1ml3 h SER 281 CO 0.02 0.64 -0.17 0.29 -1.14 0.00 0.00 176.83 176.47 1ml3 n LYS 282 N -4.52 0.70 0.00 3.45 5.02 -1.01 -3.03 118.16 118.77 1ml3 n LYS 282 Ca 0.15 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1ml3 n LYS 282 Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1ml3 n LYS 282 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ml3 n THR 283 N -0.88 0.00 0.48 -0.18 -2.24 -0.63 -4.84 114.28 105.99 1ml3 n THR 283 Ca 0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 1ml3 n THR 283 Cb 0.30 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 68.98 1ml3 n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ml3 n TYR 284 N 0.00 0.61 -0.02 4.78 4.11 -1.20 -2.78 117.16 122.66 1ml3 n TYR 284 Ca 0.00 0.23 0.06 0.00 -0.00 0.00 0.00 57.90 58.19 1ml3 n TYR 284 Cb 0.00 -0.87 0.14 0.00 -0.00 0.00 0.00 39.34 38.62 1ml3 n TYR 284 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1ml3 n MET 285 N -2.05 2.34 -1.62 -3.48 2.81 -0.05 -5.00 117.12 110.06 1ml3 n MET 285 Ca 0.03 -1.91 -0.49 0.00 -1.81 0.00 0.00 57.70 53.52 1ml3 n MET 285 Cb 0.25 -1.29 -0.05 0.00 -0.71 0.00 0.00 33.22 31.42 1ml3 n MET 285 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ml3 n LYS 286 N 0.67 1.58 0.00 0.03 4.81 -1.12 -0.48 118.16 123.65 1ml3 n LYS 286 Ca 0.12 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1ml3 n LYS 286 Cb 0.42 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.23 1ml3 n LYS 286 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ml3 n GLY 287 N 2.69 2.60 0.54 3.14 0.00 -1.26 -4.73 105.19 108.17 1ml3 n GLY 287 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1ml3 n GLY 287 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ml3 n ILE 288 N -2.00 0.64 -4.29 -0.61 2.08 -0.19 -4.46 119.36 110.54 1ml3 n ILE 288 Ca 0.00 -0.18 -0.33 0.00 0.56 0.00 0.00 62.75 62.80 1ml3 n ILE 288 Cb 0.00 -1.53 -0.15 0.00 -0.75 0.00 0.00 39.64 37.21 1ml3 n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1ml3 s LEU 289 N -6.47 2.42 0.00 1.39 2.96 0.37 -0.74 118.68 118.61 1ml3 s LEU 289 Ca -0.16 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.25 1ml3 s LEU 289 Cb 0.06 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 1ml3 s LEU 289 CO 0.22 0.04 0.07 0.61 -1.32 0.00 0.00 176.35 175.96 1ml3 n GLY 290 N 4.38 3.41 3.44 7.98 0.00 -0.43 -4.29 105.19 119.68 1ml3 n GLY 290 Ca -0.20 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.48 1ml3 n GLY 290 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ml3 s TYR 291 N -2.95 0.35 0.01 1.61 1.13 -1.26 -0.61 117.35 115.63 1ml3 s TYR 291 Ca 0.10 -0.70 -0.04 0.00 -1.41 0.00 0.00 57.07 55.02 1ml3 s TYR 291 Cb 0.00 0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.92 1ml3 s TYR 291 CO 0.07 -0.84 0.05 -0.08 -2.51 0.00 0.00 175.55 172.25 1ml3 s THR 292 N -3.98 0.09 -0.07 -3.49 -1.32 0.30 -4.88 115.64 102.30 1ml3 s THR 292 Ca 0.19 -0.77 0.15 0.00 -1.21 0.00 0.00 61.69 60.04 1ml3 s THR 292 Cb 0.02 -0.34 0.29 0.00 -1.51 0.00 0.00 72.50 70.96 1ml3 s THR 292 CO 0.03 -0.42 1.13 -0.90 -2.21 0.00 0.00 174.62 172.25 1ml3 n ASP 293 N 1.58 1.12 -4.87 8.08 3.85 -1.26 -0.96 116.55 124.09 1ml3 n ASP 293 Ca -0.23 -2.61 -0.21 0.00 -0.71 0.00 0.00 54.79 51.03 1ml3 n ASP 293 Cb 0.55 -0.35 -0.03 0.00 -1.35 0.00 0.00 41.12 39.94 1ml3 n ASP 293 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1ml3 s GLU 294 N -1.20 2.65 -1.21 0.11 2.02 -1.26 -4.73 118.70 115.07 1ml3 s GLU 294 Ca 0.26 -1.39 -0.09 0.00 0.02 0.00 0.00 54.97 53.76 1ml3 s GLU 294 Cb 0.27 -2.44 -0.13 0.00 0.10 0.00 0.00 34.13 31.92 1ml3 s GLU 294 CO -0.07 -0.04 3.07 0.39 0.02 0.00 0.00 175.26 178.64 1ml3 n GLU 295 N -1.46 3.23 -2.03 1.61 -0.58 -1.26 -4.87 120.64 115.27 1ml3 n GLU 295 Ca 0.01 -1.88 -0.32 0.00 -0.42 0.00 0.00 57.16 54.55 1ml3 n GLU 295 Cb 0.61 -2.59 0.00 0.00 -0.57 0.00 0.00 31.44 28.89 1ml3 n GLU 295 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ml3 s LEU 296 N 0.13 3.41 0.29 -4.62 1.43 -1.26 -5.09 118.68 112.96 1ml3 s LEU 296 Ca 0.68 1.62 0.04 0.00 -1.03 0.00 0.00 54.13 55.44 1ml3 s LEU 296 Cb 0.21 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 1ml3 s LEU 296 CO -0.04 -0.98 0.02 0.68 0.23 0.00 0.00 176.35 176.26 1ml3 s VAL 297 N -2.76 1.19 0.31 -1.59 -7.23 -1.26 -5.04 120.40 104.02 1ml3 s VAL 297 Ca 0.59 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.78 1ml3 s VAL 297 Cb -0.13 -2.60 0.37 0.00 0.56 0.00 0.00 36.38 34.58 1ml3 s VAL 297 CO 0.42 -0.14 1.60 0.77 -0.31 0.00 0.00 175.10 177.44 1ml3 h SER 298 N 2.25 -0.20 -0.09 4.85 4.64 -1.97 0.17 113.55 123.21 1ml3 h SER 298 Ca -0.40 0.25 0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1ml3 h SER 298 Cb 1.24 0.38 -0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1ml3 h SER 298 CO 0.67 -0.30 0.09 0.00 -0.87 0.00 0.00 176.83 176.42 1ml3 h ALA 299 N 1.91 1.78 0.00 5.18 0.00 -1.97 -1.44 119.26 124.72 1ml3 h ALA 299 Ca 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1ml3 h ALA 299 Cb 1.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ml3 h ALA 299 CO -0.81 -0.13 0.00 -0.25 0.00 0.00 0.00 179.25 178.06 1ml3 n ASP 300 N -4.02 0.00 -0.45 0.00 8.00 0.05 -2.63 116.55 117.49 1ml3 n ASP 300 Ca -0.01 -0.58 0.06 0.00 0.71 0.00 0.00 54.79 54.97 1ml3 n ASP 300 Cb 0.19 -0.09 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 1ml3 n ASP 300 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ml3 n PHE 301 N -1.09 0.00 -1.76 1.24 3.01 -0.54 -4.92 117.46 113.40 1ml3 n PHE 301 Ca 0.17 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 1ml3 n PHE 301 Cb 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 1ml3 n PHE 301 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1ml3 s ILE 302 N -1.04 2.18 -0.25 4.37 1.01 -1.08 -1.78 121.20 124.62 1ml3 s ILE 302 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1ml3 s ILE 302 Cb 0.10 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1ml3 s ILE 302 CO 0.16 0.01 0.00 0.59 0.00 0.00 0.00 174.94 175.70 1ml3 n ASN 303 N 4.24 -3.61 -4.68 3.58 3.02 -1.26 -5.02 115.26 111.52 1ml3 n ASN 303 Ca 0.16 0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 1ml3 n ASN 303 Cb 0.36 -1.32 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 1ml3 n ASN 303 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ml3 s ASP 304 N -2.48 7.21 0.00 6.41 -1.08 -0.73 -4.93 116.67 121.08 1ml3 s ASP 304 Ca 0.00 1.49 0.24 0.00 -0.52 0.00 0.00 52.55 53.76 1ml3 s ASP 304 Cb 0.00 -2.55 1.05 0.00 -1.46 0.00 0.00 42.92 39.96 1ml3 s ASP 304 CO 0.00 -0.46 1.77 0.59 0.52 0.00 0.00 175.17 177.60 1ml3 n ASN 305 N 5.10 0.00 -4.79 -0.34 3.02 -1.26 -3.48 115.26 113.51 1ml3 n ASN 305 Ca 0.09 0.43 -0.34 0.00 -0.03 0.00 0.00 54.58 54.72 1ml3 n ASN 305 Cb 0.49 -0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1ml3 n ASN 305 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ml3 s ARG 306 N -2.95 3.50 0.13 3.52 3.00 -1.26 -4.63 118.95 120.26 1ml3 s ARG 306 Ca 0.13 1.43 -0.02 0.00 0.00 0.00 0.00 55.73 57.26 1ml3 s ARG 306 Cb 0.16 -2.04 -0.10 0.00 0.00 0.00 0.00 34.95 32.96 1ml3 s ARG 306 CO 0.43 -0.70 1.30 0.77 0.00 0.00 0.00 175.30 177.10 1ml3 h SER 307 N 1.15 0.43 -3.73 0.23 0.02 -1.15 -3.40 113.55 107.10 1ml3 h SER 307 Ca -0.49 -0.37 -0.22 0.00 -0.84 0.00 0.00 61.79 59.87 1ml3 h SER 307 Cb 1.24 -0.13 -0.28 0.00 0.14 0.00 0.00 62.40 63.36 1ml3 h SER 307 CO 0.58 1.18 -0.65 -0.55 -1.14 0.00 0.00 176.83 176.25 1ml3 s SER 308 N -7.05 -0.06 -0.34 3.07 0.15 -0.75 -3.97 113.70 104.75 1ml3 s SER 308 Ca -0.05 0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.73 1ml3 s SER 308 Cb 0.09 0.11 0.11 0.00 -1.71 0.00 0.00 66.02 64.62 1ml3 s SER 308 CO 0.86 -0.03 0.12 -0.63 1.20 0.00 0.00 173.24 174.77 1ml3 s ILE 309 N 0.10 1.19 0.19 6.45 1.09 0.82 -1.31 121.20 129.73 1ml3 s ILE 309 Ca -0.01 -1.80 -0.33 0.00 -1.10 0.00 0.00 60.65 57.41 1ml3 s ILE 309 Cb -0.01 -1.88 -0.13 0.00 -1.06 0.00 0.00 42.46 39.38 1ml3 s ILE 309 CO -0.00 -0.72 1.59 0.00 -0.10 0.00 0.00 174.94 175.70 1ml3 n TYR 310 N 4.46 2.41 -3.37 3.97 9.36 0.22 -0.59 117.16 133.62 1ml3 n TYR 310 Ca 0.01 0.24 -0.46 0.00 3.32 0.00 0.00 57.90 61.02 1ml3 n TYR 310 Cb 0.40 -2.56 -0.02 0.00 -0.63 0.00 0.00 39.34 36.52 1ml3 n TYR 310 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ml3 s ASP 311 N 0.84 6.72 0.10 2.98 -1.08 -0.14 -0.54 116.67 125.55 1ml3 s ASP 311 Ca 0.75 -2.88 -0.29 0.00 -0.52 0.00 0.00 52.55 49.61 1ml3 s ASP 311 Cb -0.62 -2.18 -0.12 0.00 -1.46 0.00 0.00 42.92 38.55 1ml3 s ASP 311 CO 0.39 -0.50 1.48 -1.28 0.52 0.00 0.00 175.17 175.78 1ml3 h SER 312 N 7.49 -1.46 -0.42 -0.34 0.87 -1.34 -1.40 113.55 116.96 1ml3 h SER 312 Ca 0.11 0.17 0.08 0.00 -1.23 0.00 0.00 61.79 60.92 1ml3 h SER 312 Cb 1.00 0.56 -0.08 0.00 -0.44 0.00 0.00 62.40 63.45 1ml3 h SER 312 CO 0.79 -0.44 -0.09 0.11 -0.53 0.00 0.00 176.83 176.68 1ml3 h LYS 313 N -0.54 0.02 -0.85 2.24 1.79 -1.85 0.16 116.57 117.53 1ml3 h LYS 313 Ca 0.02 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1ml3 h LYS 313 Cb 0.61 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.21 1ml3 h LYS 313 CO -0.34 0.01 0.52 0.00 -1.08 0.00 0.00 179.45 178.55 1ml3 h ALA 314 N 1.41 1.09 0.64 3.86 0.00 -1.90 -0.44 119.26 123.92 1ml3 h ALA 314 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ml3 h ALA 314 Cb 0.31 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ml3 h ALA 314 CO -0.41 0.54 -0.31 1.15 0.00 0.00 0.00 179.25 180.22 1ml3 h THR 315 N 1.17 0.00 -0.62 0.00 2.02 -0.18 -2.88 112.91 112.42 1ml3 h THR 315 Ca 0.31 -0.16 0.15 0.00 0.77 0.00 0.00 66.41 67.48 1ml3 h THR 315 Cb -0.05 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.33 1ml3 h THR 315 CO -0.06 0.00 0.43 -0.07 0.37 0.00 0.00 175.52 176.20 1ml3 h LEU 316 N -1.02 0.14 0.00 2.58 3.38 -0.68 -2.11 115.31 117.60 1ml3 h LEU 316 Ca -0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ml3 h LEU 316 Cb 0.66 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ml3 h LEU 316 CO 0.14 0.08 -0.25 0.00 0.09 0.00 0.00 178.44 178.50 1ml3 n GLN 317 N -4.41 0.04 -2.40 1.13 6.02 -0.18 -4.26 117.38 113.32 1ml3 n GLN 317 Ca 0.12 0.02 -0.18 0.00 -0.01 0.00 0.00 57.00 56.95 1ml3 n GLN 317 Cb 0.59 -1.54 0.02 0.00 1.02 0.00 0.00 30.24 30.33 1ml3 n GLN 317 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ml3 n ASN 318 N -1.60 3.73 -4.37 1.08 3.02 -0.79 -5.05 115.26 111.27 1ml3 n ASN 318 Ca 0.06 -3.26 -0.20 0.00 -0.03 0.00 0.00 54.58 51.14 1ml3 n ASN 318 Cb 0.35 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.99 1ml3 n ASN 318 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1ml3 s ASN 319 N -3.55 2.78 0.07 6.41 0.01 -1.24 -4.83 114.94 114.59 1ml3 s ASN 319 Ca 0.42 -0.99 -0.31 0.00 -0.71 0.00 0.00 52.86 51.28 1ml3 s ASN 319 Cb 0.40 -0.17 -0.08 0.00 0.41 0.00 0.00 41.25 41.81 1ml3 s ASN 319 CO -0.04 -0.10 1.51 -0.76 -1.51 0.00 0.00 177.10 176.20 1ml3 s LEU 320 N -3.21 4.35 0.22 0.60 1.43 -1.26 -4.93 118.68 115.88 1ml3 s LEU 320 Ca 0.22 2.37 -0.32 0.00 -1.03 0.00 0.00 54.13 55.37 1ml3 s LEU 320 Cb -0.03 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.51 1ml3 s LEU 320 CO 0.08 -0.78 1.69 -2.16 0.23 0.00 0.00 176.35 175.41 1ml3 s PRO 321 N 2.01 4.13 -1.24 1.29 0.04 -1.26 -2.03 135.00 137.95 1ml3 s PRO 321 Ca 0.68 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.31 1ml3 s PRO 321 Cb -0.37 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1ml3 s PRO 321 CO 0.30 -0.72 0.00 1.63 0.04 0.00 0.00 177.00 178.25 1ml3 n LYS 322 N 3.67 -1.06 -2.44 4.56 4.76 -1.26 -4.99 118.16 121.40 1ml3 n LYS 322 Ca 0.14 0.88 -0.34 0.00 -2.87 0.00 0.00 58.31 56.12 1ml3 n LYS 322 Cb 0.36 -4.97 -0.02 0.00 -1.84 0.00 0.00 35.03 28.56 1ml3 n LYS 322 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1ml3 s GLU 323 N -2.87 3.65 0.00 1.97 2.56 -0.86 -4.99 118.70 118.16 1ml3 s GLU 323 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 54.97 56.40 1ml3 s GLU 323 Cb 0.00 -2.07 0.00 0.00 2.00 0.00 0.00 34.13 34.06 1ml3 s GLU 323 CO 0.00 -0.57 0.25 0.54 -0.56 0.00 0.00 175.26 174.92 1ml3 n ARG 324 N -1.11 1.06 0.00 4.30 1.74 -1.26 -4.37 116.66 117.02 1ml3 n ARG 324 Ca 0.10 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1ml3 n ARG 324 Cb 0.52 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 1ml3 n ARG 324 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ml3 n ARG 325 N -0.22 0.00 -2.77 5.56 5.12 -1.26 -1.15 116.66 121.94 1ml3 n ARG 325 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 1ml3 n ARG 325 Cb 0.05 -0.33 -0.04 0.00 -1.16 0.00 0.00 32.46 30.98 1ml3 n ARG 325 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1ml3 s PHE 326 N -1.49 2.61 0.23 -1.55 5.36 -1.26 -0.78 117.98 121.10 1ml3 s PHE 326 Ca 0.00 -0.26 0.08 0.00 -0.96 0.00 0.00 56.93 55.79 1ml3 s PHE 326 Cb 0.00 -4.33 -0.05 0.00 -0.34 0.00 0.00 43.02 38.30 1ml3 s PHE 326 CO 0.00 -1.67 -0.14 -0.06 -1.46 0.00 0.00 175.22 171.88 1ml3 s PHE 327 N 4.46 1.87 -0.04 10.12 0.08 0.26 -4.69 117.98 130.03 1ml3 s PHE 327 Ca 0.28 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.83 1ml3 s PHE 327 Cb -0.13 -0.89 -0.00 0.00 -0.57 0.00 0.00 43.02 41.42 1ml3 s PHE 327 CO 0.14 0.42 -0.17 0.21 -0.10 0.00 0.00 175.22 175.72 1ml3 s LYS 328 N -3.63 1.79 -0.07 0.44 2.20 -1.26 -1.18 119.74 118.03 1ml3 s LYS 328 Ca 0.25 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1ml3 s LYS 328 Cb -0.01 -1.55 0.02 0.00 -1.51 0.00 0.00 37.83 34.78 1ml3 s LYS 328 CO 0.09 0.23 -0.05 0.42 -0.36 0.00 0.00 175.35 175.68 1ml3 s ILE 329 N 0.07 0.69 -0.18 5.43 1.01 0.52 -4.86 121.20 123.88 1ml3 s ILE 329 Ca -0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1ml3 s ILE 329 Cb -0.12 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1ml3 s ILE 329 CO 0.02 0.28 0.03 -0.69 0.00 0.00 0.00 174.94 174.59 1ml3 s VAL 330 N 1.24 4.50 -0.06 2.92 1.01 -1.26 -1.20 120.40 127.55 1ml3 s VAL 330 Ca -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1ml3 s VAL 330 Cb -0.14 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.26 1ml3 s VAL 330 CO -0.02 0.47 0.12 -0.55 0.00 0.00 0.00 175.10 175.11 1ml3 s SER 331 N 0.41 -0.00 0.57 3.32 0.15 -0.11 -0.97 113.70 117.07 1ml3 s SER 331 Ca 0.01 0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.86 1ml3 s SER 331 Cb -0.13 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 1ml3 s SER 331 CO 0.01 -0.15 0.85 0.26 1.20 0.00 0.00 173.24 175.41 1ml3 s TRP 332 N 1.23 3.16 -0.29 3.44 0.52 0.24 0.14 118.94 127.38 1ml3 s TRP 332 Ca -0.08 0.45 -0.16 0.00 0.02 0.00 0.00 56.10 56.33 1ml3 s TRP 332 Cb -0.12 -2.70 0.13 0.00 -1.15 0.00 0.00 33.47 29.63 1ml3 s TRP 332 CO -0.05 -0.80 0.89 1.52 0.02 0.00 0.00 176.95 178.53 1ml3 s TYR 333 N -2.90 -0.73 -0.67 -1.98 1.13 -0.83 -0.13 117.35 111.24 1ml3 s TYR 333 Ca 0.54 1.45 -0.27 0.00 -1.41 0.00 0.00 57.07 57.37 1ml3 s TYR 333 Cb -0.10 0.44 0.02 0.00 -1.10 0.00 0.00 41.96 41.22 1ml3 s TYR 333 CO 0.43 -0.36 1.32 0.34 -2.51 0.00 0.00 175.55 174.76 1ml3 s ASP 334 N 1.52 6.16 0.38 -0.18 -1.08 -1.26 -1.25 116.67 120.95 1ml3 s ASP 334 Ca -0.09 -0.15 0.12 0.00 -0.52 0.00 0.00 52.55 51.91 1ml3 s ASP 334 Cb -0.04 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.78 1ml3 s ASP 334 CO -0.17 -1.77 1.86 -0.55 0.52 0.00 0.00 175.17 175.06 1ml3 h ASN 335 N 10.42 0.57 0.01 -0.34 -1.07 -1.90 -1.68 115.58 121.58 1ml3 h ASN 335 Ca -0.27 0.05 -0.00 0.00 0.07 0.00 0.00 56.30 56.15 1ml3 h ASN 335 Cb 1.07 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.25 1ml3 h ASN 335 CO 1.24 0.26 -0.00 -0.33 0.07 0.00 0.00 177.43 178.66 1ml3 h GLU 336 N 0.58 -0.01 0.51 4.14 5.08 -1.98 -3.36 114.58 119.54 1ml3 h GLU 336 Ca 0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 1ml3 h GLU 336 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1ml3 h GLU 336 CO -0.21 0.74 -0.24 2.35 -1.00 0.00 0.00 179.01 180.65 1ml3 h TRP 337 N -0.98 -0.63 0.01 4.33 2.91 -1.84 -2.77 115.95 116.98 1ml3 h TRP 337 Ca -0.00 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.03 1ml3 h TRP 337 Cb 0.76 0.21 -0.06 0.00 -0.51 0.00 0.00 29.16 29.56 1ml3 h TRP 337 CO 0.21 -0.32 -0.48 0.78 -1.03 0.00 0.00 178.44 177.60 1ml3 h GLY 338 N -0.89 -0.97 0.29 2.65 0.00 -1.34 -2.63 103.07 100.18 1ml3 h GLY 338 Ca -0.07 0.59 0.13 0.00 0.00 0.00 0.00 47.33 47.98 1ml3 h GLY 338 CO 0.11 -0.24 0.41 -1.82 0.00 0.00 0.00 176.54 175.00 1ml3 h TYR 339 N -0.64 0.72 -0.95 5.60 5.03 -1.71 -1.81 116.97 123.21 1ml3 h TYR 339 Ca 0.03 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.42 1ml3 h TYR 339 Cb 0.70 -0.20 -0.06 0.00 1.55 0.00 0.00 36.73 38.72 1ml3 h TYR 339 CO -0.47 0.19 0.62 0.77 -1.32 0.00 0.00 178.16 177.95 1ml3 h SER 340 N 0.61 0.99 -0.05 -2.11 0.02 -1.17 0.26 113.55 112.11 1ml3 h SER 340 Ca 0.43 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.20 1ml3 h SER 340 Cb 0.57 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1ml3 h SER 340 CO -0.34 0.66 -0.58 0.45 -1.14 0.00 0.00 176.83 175.88 1ml3 h HIS 341 N 1.14 0.83 -0.88 3.45 3.86 -1.15 -2.80 115.15 119.59 1ml3 h HIS 341 Ca 0.39 -0.31 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1ml3 h HIS 341 Cb 0.10 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 1ml3 h HIS 341 CO -0.00 1.08 0.48 0.00 0.86 0.00 0.00 177.93 180.35 1ml3 h ARG 342 N 0.49 1.22 -0.64 2.45 2.47 -0.39 0.46 114.38 120.44 1ml3 h ARG 342 Ca 0.00 -0.14 0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1ml3 h ARG 342 Cb 1.16 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 29.20 1ml3 h ARG 342 CO 0.12 0.89 0.42 0.28 0.56 0.00 0.00 179.97 182.23 1ml3 h VAL 343 N 1.23 1.14 -0.06 2.04 2.07 -0.88 0.17 116.25 121.96 1ml3 h VAL 343 Ca 0.31 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1ml3 h VAL 343 Cb 0.02 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1ml3 h VAL 343 CO -0.05 0.15 -0.01 0.58 0.02 0.00 0.00 177.57 178.27 1ml3 h VAL 344 N 0.84 1.27 -0.98 2.57 2.07 -1.11 -2.18 116.25 118.73 1ml3 h VAL 344 Ca 0.24 -0.84 0.17 0.00 0.82 0.00 0.00 66.70 67.10 1ml3 h VAL 344 Cb -0.06 1.72 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 1ml3 h VAL 344 CO -0.07 0.23 0.59 0.44 0.02 0.00 0.00 177.57 178.78 1ml3 h ASP 345 N -0.21 0.78 -0.32 0.57 3.32 0.31 -1.47 116.42 119.40 1ml3 h ASP 345 Ca 0.02 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 1ml3 h ASP 345 Cb 0.37 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1ml3 h ASP 345 CO 0.00 0.30 -0.29 0.25 -1.72 0.00 0.00 179.24 177.78 1ml3 h LEU 346 N 0.78 0.86 -0.62 1.55 5.85 -0.46 -1.72 115.31 121.56 1ml3 h LEU 346 Ca 0.55 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 1ml3 h LEU 346 Cb 0.80 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1ml3 h LEU 346 CO -0.36 1.10 0.01 0.58 -0.34 0.00 0.00 178.44 179.43 1ml3 h VAL 347 N 0.71 1.27 -0.61 1.05 2.07 -0.67 -1.34 116.25 118.73 1ml3 h VAL 347 Ca 0.08 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1ml3 h VAL 347 Cb 0.84 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1ml3 h VAL 347 CO 0.07 0.42 0.03 0.03 0.02 0.00 0.00 177.57 178.14 1ml3 h ARG 348 N 0.99 1.06 -0.34 1.57 3.08 -1.19 -0.15 114.38 119.39 1ml3 h ARG 348 Ca 0.18 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1ml3 h ARG 348 Cb 0.55 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1ml3 h ARG 348 CO 0.03 1.02 0.16 1.25 -1.07 0.00 0.00 179.97 181.35 1ml3 h HIS 349 N 0.96 0.50 0.07 3.04 2.76 -1.09 -0.07 115.15 121.31 1ml3 h HIS 349 Ca 0.18 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1ml3 h HIS 349 Cb 0.52 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1ml3 h HIS 349 CO 0.04 0.44 -0.03 0.52 -1.30 0.00 0.00 177.93 177.59 1ml3 h MET 350 N 0.41 -0.08 -0.54 5.26 2.86 -1.12 -1.22 114.93 120.50 1ml3 h MET 350 Ca 0.12 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.86 1ml3 h MET 350 Cb 0.13 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 1ml3 h MET 350 CO -0.01 0.02 0.13 0.00 1.06 0.00 0.00 176.91 178.10 1ml3 h ALA 351 N 0.76 0.63 -0.58 6.32 0.00 -0.88 0.17 119.26 125.69 1ml3 h ALA 351 Ca -0.01 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ml3 h ALA 351 Cb 0.14 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1ml3 h ALA 351 CO 0.01 -0.29 0.32 1.03 0.00 0.00 0.00 179.25 180.33 1ml3 h SER 352 N 0.27 0.49 1.50 0.00 0.87 -0.68 0.30 113.55 116.29 1ml3 h SER 352 Ca 0.27 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1ml3 h SER 352 Cb 0.37 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1ml3 h SER 352 CO -0.34 0.33 -0.25 0.11 -0.53 0.00 0.00 176.83 176.15 1ml3 h LYS 353 N 0.62 0.00 0.00 2.24 1.79 -0.26 -2.36 116.57 118.60 1ml3 h LYS 353 Ca 0.25 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.48 1ml3 h LYS 353 Cb 0.12 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1ml3 h LYS 353 CO -0.15 0.25 -0.98 -0.44 -1.08 0.00 0.00 179.45 177.06 1ml3 h ASP 354 N 0.00 0.63 0.04 0.86 3.32 -0.15 -3.01 116.42 118.11 1ml3 h ASP 354 Ca -0.00 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 1ml3 h ASP 354 Cb 1.07 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1ml3 h ASP 354 CO 0.03 1.31 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.75 1ml3 h ARG 355 N 0.27 -0.05 0.00 3.56 2.43 -0.88 -2.82 114.38 116.89 1ml3 h ARG 355 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ml3 h ARG 355 Cb 1.62 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1ml3 h ARG 355 CO 0.17 0.18 0.00 -1.13 -1.51 0.00 0.00 179.97 177.68 1ml3 n SER 356 N -5.01 0.00 0.01 -3.80 3.41 -0.89 -2.24 113.62 105.10 1ml3 n SER 356 Ca -0.08 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 58.87 1ml3 n SER 356 Cb 0.14 -0.36 0.21 0.00 -0.26 0.00 0.00 64.21 63.95 1ml3 n SER 356 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ml3 n ALA 357 N -1.36 3.50 -0.51 7.33 0.00 -1.07 -3.93 120.51 124.47 1ml3 n ALA 357 Ca 0.06 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.24 1ml3 n ALA 357 Cb 0.14 -1.10 0.30 0.00 0.00 0.00 0.00 19.45 18.78 1ml3 n ALA 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ml3 n ARG 358 N -1.60 3.26 0.00 0.00 1.74 -0.95 -5.10 116.66 114.01 1ml3 n ARG 358 Ca 0.05 -2.66 0.16 0.00 -0.77 0.00 0.00 57.85 54.63 1ml3 n ARG 358 Cb 0.35 -1.68 0.93 0.00 -1.02 0.00 0.00 32.46 31.04 1ml3 n ARG 358 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39