#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 -0.65 -2.18 0.03 -0.02 -1.26 -4.93 135.00 125.99 1ml3 n PRO 2 Ca 0.00 -0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 60.92 1ml3 n PRO 2 Cb 0.00 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 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 -2.54 3.76 -0.24 4.25 -1.09 -0.91 -4.75 121.20 119.67 1ml3 s ILE 3 Ca 0.64 1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 59.80 1ml3 s ILE 3 Cb -0.22 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1ml3 s ILE 3 CO 0.61 -0.05 1.03 -0.54 -1.23 0.00 0.00 174.94 174.76 1ml3 s LYS 4 N 3.23 4.22 0.12 2.79 -0.14 -1.26 0.34 119.74 129.05 1ml3 s LYS 4 Ca 0.66 1.28 0.10 0.00 -1.36 0.00 0.00 55.97 56.65 1ml3 s LYS 4 Cb -0.30 -3.66 -0.04 0.00 -1.68 0.00 0.00 37.83 32.15 1ml3 s LYS 4 CO 0.25 -0.67 -0.25 0.08 -0.76 0.00 0.00 175.35 174.01 1ml3 s VAL 5 N 3.25 2.09 -0.01 3.17 1.01 0.22 -1.68 120.40 128.45 1ml3 s VAL 5 Ca 0.44 -1.70 0.03 0.00 0.00 0.00 0.00 61.98 60.75 1ml3 s VAL 5 Cb -0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1ml3 s VAL 5 CO 0.08 0.04 -0.10 -0.83 0.00 0.00 0.00 175.10 174.29 1ml3 s GLY 6 N -2.02 0.49 -0.29 4.51 0.00 0.12 0.18 107.32 110.32 1ml3 s GLY 6 Ca 0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.36 1ml3 s GLY 6 CO 0.05 -0.37 0.01 -0.42 0.00 0.00 0.00 173.10 172.37 1ml3 s ILE 7 N -0.27 3.28 -0.51 0.90 1.01 -0.10 -0.71 121.20 124.81 1ml3 s ILE 7 Ca 0.03 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 1ml3 s ILE 7 Cb -0.04 -2.76 0.06 0.00 0.01 0.00 0.00 42.46 39.73 1ml3 s ILE 7 CO -0.00 0.04 0.60 0.21 0.00 0.00 0.00 174.94 175.79 1ml3 s ASN 8 N 1.36 6.21 0.00 3.58 3.04 -0.24 -0.69 114.94 128.20 1ml3 s ASN 8 Ca -0.01 -1.00 0.00 0.00 0.04 0.00 0.00 52.86 51.89 1ml3 s ASN 8 Cb -0.18 -2.28 0.00 0.00 -1.54 0.00 0.00 41.25 37.25 1ml3 s ASN 8 CO -0.01 -0.88 0.00 0.61 -3.04 0.00 0.00 177.10 173.78 1ml3 n GLY 9 N 5.18 0.75 2.17 1.21 0.00 -0.10 -0.56 105.19 113.85 1ml3 n GLY 9 Ca -0.07 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 1.33 -1.04 1.61 7.35 -1.06 -3.74 117.46 121.91 1ml3 n PHE 10 Ca 0.00 -2.38 0.00 0.00 -0.76 0.00 0.00 57.45 54.31 1ml3 n PHE 10 Cb 0.00 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 37.74 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 3.09 1.81 0.26 7.13 0.00 -1.26 -4.51 105.19 111.71 1ml3 n GLY 11 Ca 0.63 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.80 1ml3 n GLY 11 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ml3 h ARG 12 N 0.00 0.33 0.25 1.61 2.47 -1.93 0.90 114.38 118.02 1ml3 h ARG 12 Ca 0.00 -0.02 -0.33 0.00 -1.26 0.00 0.00 59.98 58.37 1ml3 h ARG 12 Cb 0.00 -0.07 0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1ml3 h ARG 12 CO 0.00 0.22 -1.47 0.82 0.56 0.00 0.00 179.97 180.09 1ml3 h ILE 13 N 0.34 1.28 -0.19 2.04 1.08 -1.90 -2.47 117.51 117.69 1ml3 h ILE 13 Ca 0.39 -2.69 0.03 0.00 -0.39 0.00 0.00 64.86 62.20 1ml3 h ILE 13 Cb 0.61 3.05 -0.03 0.00 -3.07 0.00 0.00 36.82 37.38 1ml3 h ILE 13 CO -0.44 0.81 0.02 1.23 -0.69 0.00 0.00 178.15 179.08 1ml3 h GLY 14 N 0.15 0.20 1.48 5.37 0.00 -1.54 0.29 103.07 109.02 1ml3 h GLY 14 Ca -0.26 -0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1ml3 h GLY 14 CO 0.27 -0.01 -0.36 3.21 0.00 0.00 0.00 176.54 179.65 1ml3 h ARG 15 N 0.09 0.58 -0.00 4.80 3.08 -0.94 -1.95 114.38 120.03 1ml3 h ARG 15 Ca 0.09 -0.27 -0.17 0.00 0.07 0.00 0.00 59.98 59.69 1ml3 h ARG 15 Cb 0.09 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1ml3 h ARG 15 CO -0.13 0.85 -0.78 0.52 -1.07 0.00 0.00 179.97 179.37 1ml3 h MET 16 N 0.48 0.07 -0.62 0.04 2.86 -1.23 -0.08 114.93 116.45 1ml3 h MET 16 Ca 0.05 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1ml3 h MET 16 Cb 0.85 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1ml3 h MET 16 CO 0.07 0.81 0.11 0.28 1.06 0.00 0.00 176.91 179.25 1ml3 h VAL 17 N 0.04 1.25 -0.30 -2.22 2.07 -0.28 -1.14 116.25 115.68 1ml3 h VAL 17 Ca -0.02 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1ml3 h VAL 17 Cb 1.37 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1ml3 h VAL 17 CO 0.11 0.36 0.04 0.15 0.02 0.00 0.00 177.57 178.25 1ml3 h PHE 18 N 0.94 0.53 -0.68 1.57 3.04 -0.90 -2.43 116.94 119.01 1ml3 h PHE 18 Ca 0.19 -0.08 0.07 0.00 3.98 0.00 0.00 57.97 62.14 1ml3 h PHE 18 Cb 0.39 -0.14 -0.06 0.00 2.56 0.00 0.00 35.95 38.69 1ml3 h PHE 18 CO 0.03 0.59 0.35 1.96 -2.02 0.00 0.00 178.31 179.22 1ml3 h GLN 19 N 0.31 0.61 -0.58 1.11 4.20 -0.69 -1.09 115.11 118.98 1ml3 h GLN 19 Ca 0.09 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.84 1ml3 h GLN 19 Cb 0.35 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.93 1ml3 h GLN 19 CO 0.01 0.41 0.25 0.00 -0.67 0.00 0.00 178.83 178.83 1ml3 h ALA 20 N 1.38 0.75 -0.11 3.87 0.00 -0.98 0.14 119.26 124.31 1ml3 h ALA 20 Ca 0.32 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1ml3 h ALA 20 Cb 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ml3 h ALA 20 CO -0.22 -0.13 -0.02 -0.07 0.00 0.00 0.00 179.25 178.81 1ml3 h LEU 21 N 0.47 -0.08 -0.03 0.00 3.38 -0.74 -1.43 115.31 116.88 1ml3 h LEU 21 Ca 0.28 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1ml3 h LEU 21 Cb 0.28 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ml3 h LEU 21 CO -0.24 -0.02 -0.00 0.00 0.09 0.00 0.00 178.44 178.26 1ml3 h GLU 23 N -0.26 0.11 0.00 0.00 4.81 -0.65 -0.99 114.58 117.61 1ml3 h GLU 23 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ml3 h GLU 23 Cb 0.35 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ml3 h GLU 23 CO 0.00 0.07 0.00 -0.25 -0.73 0.00 0.00 179.01 178.11 1ml3 n ASP 24 N -5.26 0.00 -2.41 1.04 8.00 -0.55 -4.88 116.55 112.49 1ml3 n ASP 24 Ca 0.07 -1.39 -0.18 0.00 0.71 0.00 0.00 54.79 54.00 1ml3 n ASP 24 Cb 0.31 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.44 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 0.60 -0.27 0.02 0.44 0.00 -0.38 -4.91 105.19 100.69 1ml3 n GLY 25 Ca 0.10 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.22 0.10 -4.64 0.99 4.77 -0.54 -4.76 117.00 109.71 1ml3 n LEU 26 Ca -0.09 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 1ml3 n LEU 26 Cb 0.60 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1ml3 n LEU 26 CO 0.37 -0.00 1.34 -0.22 -1.33 0.00 0.00 177.39 177.54 1ml3 s LEU 27 N -4.51 4.05 0.00 2.23 2.96 -1.20 -0.86 118.68 121.35 1ml3 s LEU 27 Ca -0.07 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 1ml3 s LEU 27 Cb 0.14 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.29 1ml3 s LEU 27 CO 0.90 -1.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 1ml3 n GLY 28 N 4.38 1.23 0.78 7.98 0.00 0.89 -4.87 105.19 115.58 1ml3 n GLY 28 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 0.00 0.05 2.61 -2.24 -1.05 -4.89 114.28 106.76 1ml3 n THR 29 Ca 0.00 0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.69 1ml3 n THR 29 Cb 0.00 -1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 67.00 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 0.28 -5.34 -0.78 5.08 -1.72 -3.38 114.58 108.72 1ml3 h GLU 30 Ca 0.00 -0.48 -0.51 0.00 -1.00 0.00 0.00 59.36 57.38 1ml3 h GLU 30 Cb 0.00 0.18 -0.30 0.00 0.50 0.00 0.00 28.75 29.13 1ml3 h GLU 30 CO 0.00 1.15 -0.82 0.42 -1.00 0.00 0.00 179.01 178.76 1ml3 s ILE 31 N -2.59 1.19 -0.29 3.13 1.01 -0.04 -2.15 121.20 121.46 1ml3 s ILE 31 Ca -0.13 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1ml3 s ILE 31 Cb 0.06 -1.00 0.08 0.00 0.01 0.00 0.00 42.46 41.61 1ml3 s ILE 31 CO 0.84 0.34 -0.04 -0.62 0.00 0.00 0.00 174.94 175.45 1ml3 s ASP 32 N -0.28 4.59 -0.70 3.58 -1.08 0.15 -0.08 116.67 122.86 1ml3 s ASP 32 Ca 0.04 -1.71 -0.27 0.00 -0.52 0.00 0.00 52.55 50.09 1ml3 s ASP 32 Cb -0.07 -1.58 0.03 0.00 -1.46 0.00 0.00 42.92 39.84 1ml3 s ASP 32 CO -0.00 -0.27 1.23 -0.69 0.52 0.00 0.00 175.17 175.96 1ml3 s VAL 33 N 1.02 3.84 0.01 1.11 1.01 -1.26 0.73 120.40 126.85 1ml3 s VAL 33 Ca -0.01 0.45 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 1ml3 s VAL 33 Cb -0.20 -4.85 -0.20 0.00 0.00 0.00 0.00 36.38 31.13 1ml3 s VAL 33 CO -0.06 -1.71 1.16 0.58 0.00 0.00 0.00 175.10 175.07 1ml3 h VAL 34 N 6.05 1.43 -3.61 2.92 2.07 -0.55 -3.41 116.25 121.15 1ml3 h VAL 34 Ca -0.27 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 65.38 1ml3 h VAL 34 Cb 1.05 2.39 -0.11 0.00 -1.52 0.00 0.00 31.29 33.11 1ml3 h VAL 34 CO 1.25 0.52 -0.14 0.00 0.02 0.00 0.00 177.57 179.22 1ml3 s ALA 35 N -3.54 -0.40 -0.02 1.67 0.00 -1.23 -1.27 121.76 116.97 1ml3 s ALA 35 Ca -0.14 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1ml3 s ALA 35 Cb 0.04 0.91 0.01 0.00 0.00 0.00 0.00 23.12 24.07 1ml3 s ALA 35 CO 0.78 -0.76 0.04 0.14 0.00 0.00 0.00 175.76 175.96 1ml3 s VAL 36 N -3.95 -0.01 -0.03 0.00 -7.23 -0.39 -0.92 120.40 107.88 1ml3 s VAL 36 Ca 0.15 0.05 0.07 0.00 -1.81 0.00 0.00 61.98 60.44 1ml3 s VAL 36 Cb 0.01 -0.07 -0.02 0.00 0.56 0.00 0.00 36.38 36.86 1ml3 s VAL 36 CO 0.01 0.02 -0.23 0.54 -0.31 0.00 0.00 175.10 175.13 1ml3 s VAL 37 N 0.25 1.85 0.18 1.32 0.11 0.13 -0.80 120.40 123.45 1ml3 s VAL 37 Ca -0.02 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.00 1ml3 s VAL 37 Cb -0.03 -1.55 0.02 0.00 -1.53 0.00 0.00 36.38 33.29 1ml3 s VAL 37 CO -0.01 0.52 0.31 -0.67 -3.33 0.00 0.00 175.10 171.92 1ml3 n ASP 38 N 2.60 -0.88 -0.36 3.54 -0.08 -1.15 -0.92 116.55 119.30 1ml3 n ASP 38 Ca -0.16 -1.83 0.28 0.00 -1.51 0.00 0.00 54.79 51.57 1ml3 n ASP 38 Cb 0.52 1.53 0.54 0.00 2.34 0.00 0.00 41.12 46.05 1ml3 n ASP 38 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1ml3 h MET 39 N 0.00 0.21 0.00 -0.67 2.86 -1.95 -0.96 114.93 114.43 1ml3 h MET 39 Ca -0.15 -0.01 -0.36 0.00 -2.06 0.00 0.00 59.70 57.12 1ml3 h MET 39 Cb 0.58 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 1ml3 h MET 39 CO 0.19 0.14 -0.28 0.27 1.06 0.00 0.00 176.91 178.29 1ml3 n ASN 40 N -4.97 1.77 -0.09 1.22 0.23 -1.26 -4.45 115.26 107.71 1ml3 n ASN 40 Ca 0.34 -2.32 0.05 0.00 -0.53 0.00 0.00 54.58 52.12 1ml3 n ASN 40 Cb 1.13 0.47 0.07 0.00 -2.08 0.00 0.00 39.78 39.37 1ml3 n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1ml3 n THR 41 N -0.63 1.23 -2.27 5.53 -2.24 -1.26 -4.53 114.28 110.12 1ml3 n THR 41 Ca -0.07 -1.42 -0.33 0.00 -2.27 0.00 0.00 64.05 59.96 1ml3 n THR 41 Cb 0.37 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.84 5.72 0.31 3.42 2.15 -1.26 -4.21 116.67 120.96 1ml3 s ASP 42 Ca 0.16 -1.26 0.07 0.00 0.43 0.00 0.00 52.55 51.95 1ml3 s ASP 42 Cb 0.14 -2.57 0.82 0.00 -0.30 0.00 0.00 42.92 41.01 1ml3 s ASP 42 CO 0.01 -2.25 1.70 0.00 -0.17 0.00 0.00 175.17 174.47 1ml3 h ALA 43 N 10.19 1.61 -0.71 3.66 0.00 -1.69 0.57 119.26 132.88 1ml3 h ALA 43 Ca 0.19 0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.39 1ml3 h ALA 43 Cb 0.98 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 1ml3 h ALA 43 CO 1.31 -0.35 0.21 1.49 0.00 0.00 0.00 179.25 181.91 1ml3 h GLU 44 N 0.45 0.31 -0.35 0.00 4.81 -1.89 0.39 114.58 118.29 1ml3 h GLU 44 Ca 0.61 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.74 1ml3 h GLU 44 Cb 1.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1ml3 h GLU 44 CO -0.52 0.21 -0.07 -0.92 -0.73 0.00 0.00 179.01 176.97 1ml3 h TYR 45 N 0.32 0.75 -0.75 0.92 3.20 -1.30 -0.87 116.97 119.24 1ml3 h TYR 45 Ca 0.39 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 62.14 1ml3 h TYR 45 Cb 0.64 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 1ml3 h TYR 45 CO -0.23 0.82 0.47 0.74 -1.64 0.00 0.00 178.16 178.32 1ml3 h PHE 46 N 0.47 0.88 -0.22 -3.82 -1.00 -0.67 -0.35 116.94 112.22 1ml3 h PHE 46 Ca 0.09 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 1ml3 h PHE 46 Cb 0.57 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1ml3 h PHE 46 CO 0.05 0.49 0.11 0.00 -1.61 0.00 0.00 178.31 177.35 1ml3 h ALA 47 N 1.32 0.29 -0.84 2.45 0.00 -0.06 -1.40 119.26 121.03 1ml3 h ALA 47 Ca 0.30 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1ml3 h ALA 47 Cb 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1ml3 h ALA 47 CO -0.12 -0.15 0.53 -0.92 0.00 0.00 0.00 179.25 178.58 1ml3 h TYR 48 N 0.23 0.98 -0.15 0.00 3.20 -0.61 0.19 116.97 120.80 1ml3 h TYR 48 Ca 0.08 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 1ml3 h TYR 48 Cb 0.12 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1ml3 h TYR 48 CO -0.02 0.52 -0.29 1.96 -1.64 0.00 0.00 178.16 178.69 1ml3 h GLN 49 N 0.98 0.28 0.18 1.82 4.20 -0.80 -2.70 115.11 119.07 1ml3 h GLN 49 Ca 0.36 -0.10 -0.32 0.00 0.06 0.00 0.00 58.65 58.65 1ml3 h GLN 49 Cb 0.11 -0.02 0.03 0.00 0.30 0.00 0.00 27.48 27.91 1ml3 h GLN 49 CO -0.15 0.55 -1.35 0.52 -0.67 0.00 0.00 178.83 177.73 1ml3 h MET 50 N 0.25 0.59 -0.62 1.46 2.86 -0.50 -3.34 114.93 115.63 1ml3 h MET 50 Ca 0.04 -0.87 -0.01 0.00 -2.06 0.00 0.00 59.70 56.79 1ml3 h MET 50 Cb 0.64 0.30 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 1ml3 h MET 50 CO 0.05 1.41 0.35 -0.09 1.06 0.00 0.00 176.91 179.68 1ml3 h ARG 51 N 0.23 0.85 -4.80 1.72 2.43 -0.58 -3.38 114.38 110.85 1ml3 h ARG 51 Ca -0.22 -0.08 -0.56 0.00 -0.81 0.00 0.00 59.98 58.31 1ml3 h ARG 51 Cb 2.03 -0.17 -0.33 0.00 -0.42 0.00 0.00 29.97 31.07 1ml3 h ARG 51 CO 0.26 0.62 -0.83 0.71 -1.51 0.00 0.00 179.97 179.21 1ml3 s TYR 52 N -5.59 1.73 -0.06 2.20 2.02 -1.03 -1.52 117.35 115.09 1ml3 s TYR 52 Ca -0.10 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1ml3 s TYR 52 Cb 0.17 -1.22 0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1ml3 s TYR 52 CO 0.78 -0.30 -0.04 0.34 -1.57 0.00 0.00 175.55 174.76 1ml3 s ASP 53 N 0.53 1.29 0.25 2.29 -1.08 -1.15 -4.75 116.67 114.04 1ml3 s ASP 53 Ca -0.15 -0.14 0.23 0.00 -0.52 0.00 0.00 52.55 51.97 1ml3 s ASP 53 Cb -0.16 -0.50 0.97 0.00 -1.46 0.00 0.00 42.92 41.77 1ml3 s ASP 53 CO 0.05 -0.10 1.69 0.35 0.52 0.00 0.00 175.17 177.68 1ml3 n THR 54 N 4.46 0.86 -0.05 1.71 -2.24 -1.26 -2.37 114.28 115.39 1ml3 n THR 54 Ca -0.18 0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1ml3 n THR 54 Cb 0.51 -1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 67.49 1ml3 n THR 54 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1ml3 n VAL 55 N -2.19 0.56 0.09 2.28 3.14 -1.26 -4.71 118.33 116.23 1ml3 n VAL 55 Ca 0.02 -0.26 0.10 0.00 -2.96 0.00 0.00 64.34 61.23 1ml3 n VAL 55 Cb 0.21 -0.83 0.27 0.00 -1.06 0.00 0.00 33.84 32.43 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 -2.59 0.80 -1.42 1.45 8.25 -1.24 -4.99 115.22 115.49 1ml3 n HIS 56 Ca -0.16 -0.40 0.01 0.00 -0.26 0.00 0.00 57.72 56.91 1ml3 n HIS 56 Cb 0.71 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 1.46 -2.18 3.74 -1.41 0.00 -1.00 -4.87 105.19 100.94 1ml3 n GLY 57 Ca 0.20 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.70 4.68 0.11 1.61 1.02 -1.26 -2.96 119.74 122.24 1ml3 s LYS 58 Ca 0.00 1.65 -0.31 0.00 0.02 0.00 0.00 55.97 57.33 1ml3 s LYS 58 Cb 0.00 -3.27 -0.10 0.00 -0.52 0.00 0.00 37.83 33.94 1ml3 s LYS 58 CO 0.00 0.23 1.87 0.12 -0.92 0.00 0.00 175.35 176.66 1ml3 s PHE 59 N -0.65 1.91 -0.17 3.18 5.36 -0.58 -4.85 117.98 122.19 1ml3 s PHE 59 Ca 0.46 -0.15 0.29 0.00 -0.96 0.00 0.00 56.93 56.57 1ml3 s PHE 59 Cb -0.28 -4.21 1.19 0.00 -0.34 0.00 0.00 43.02 39.38 1ml3 s PHE 59 CO 0.35 -5.11 1.86 0.87 -1.46 0.00 0.00 175.22 171.74 1ml3 h LYS 60 N 9.10 0.00 -5.97 10.12 1.57 -1.93 -3.44 116.57 126.02 1ml3 h LYS 60 Ca -0.47 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.66 1ml3 h LYS 60 Cb 1.22 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.44 1ml3 h LYS 60 CO 0.95 0.00 -0.57 0.71 -0.57 0.00 0.00 179.45 179.97 1ml3 s TYR 61 N -3.51 3.32 0.21 -1.35 1.51 -1.26 -5.08 117.35 111.19 1ml3 s TYR 61 Ca 0.03 0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 56.02 1ml3 s TYR 61 Cb 0.09 -1.75 -0.09 0.00 -0.11 0.00 0.00 41.96 40.10 1ml3 s TYR 61 CO 0.48 0.56 1.27 -2.00 -1.11 0.00 0.00 175.55 174.75 1ml3 s GLU 62 N -1.74 4.42 -0.11 -0.62 2.12 -1.26 -5.00 118.70 116.51 1ml3 s GLU 62 Ca 0.23 2.01 0.02 0.00 0.36 0.00 0.00 54.97 57.59 1ml3 s GLU 62 Cb -0.12 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.09 1ml3 s GLU 62 CO 0.14 -0.18 -0.17 0.08 -0.54 0.00 0.00 175.26 174.58 1ml3 s VAL 63 N -0.09 1.64 0.42 3.70 1.01 -1.26 -3.90 120.40 121.92 1ml3 s VAL 63 Ca 0.54 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1ml3 s VAL 63 Cb -0.36 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1ml3 s VAL 63 CO 0.39 0.47 0.12 0.28 0.00 0.00 0.00 175.10 176.36 1ml3 s THR 64 N 0.83 0.65 0.07 3.92 -1.32 -0.16 -4.96 115.64 114.67 1ml3 s THR 64 Ca -0.09 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 1ml3 s THR 64 Cb -0.16 -2.33 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 1ml3 s THR 64 CO 0.00 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 172.79 1ml3 s THR 65 N -3.17 0.44 0.35 5.08 -4.23 -1.26 0.75 115.64 113.60 1ml3 s THR 65 Ca 0.22 -1.87 -0.13 0.00 -1.18 0.00 0.00 61.69 58.72 1ml3 s THR 65 Cb 0.02 -1.60 0.04 0.00 1.34 0.00 0.00 72.50 72.30 1ml3 s THR 65 CO 0.13 -0.94 0.70 0.42 -0.54 0.00 0.00 174.62 174.39 1ml3 s THR 66 N -3.78 0.00 0.03 3.99 -4.23 0.08 -4.92 115.64 106.80 1ml3 s THR 66 Ca 0.09 -1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1ml3 s THR 66 Cb 0.07 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1ml3 s THR 66 CO -0.07 0.00 0.20 -0.54 -0.54 0.00 0.00 174.62 173.67 1ml3 s LYS 67 N -2.78 3.45 0.16 3.99 1.02 -1.26 -0.45 119.74 123.87 1ml3 s LYS 67 Ca 0.18 -0.36 0.05 0.00 0.02 0.00 0.00 55.97 55.86 1ml3 s LYS 67 Cb -0.04 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 1ml3 s LYS 67 CO 0.13 0.64 1.37 0.66 -0.92 0.00 0.00 175.35 177.22 1ml3 h SER 68 N 3.46 0.14 -3.75 2.83 4.64 -1.92 -3.46 113.55 115.48 1ml3 h SER 68 Ca -0.47 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 60.68 1ml3 h SER 68 Cb 1.17 -0.04 -0.22 0.00 -0.31 0.00 0.00 62.40 63.00 1ml3 h SER 68 CO 0.72 0.97 0.00 -0.55 -0.87 0.00 0.00 176.83 177.10 1ml3 s SER 69 N -6.86 -0.70 0.61 4.97 0.15 -1.26 -5.04 113.70 105.58 1ml3 s SER 69 Ca -0.01 1.29 0.27 0.00 0.70 0.00 0.00 55.95 58.20 1ml3 s SER 69 Cb 0.10 1.27 1.37 0.00 -1.71 0.00 0.00 66.02 67.05 1ml3 s SER 69 CO 0.82 -0.22 1.78 -0.65 1.20 0.00 0.00 173.24 176.17 1ml3 h PRO 70 N 5.60 0.00 0.00 5.44 0.11 -2.02 0.34 132.00 141.47 1ml3 h PRO 70 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ml3 h PRO 70 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ml3 h PRO 70 CO 0.13 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.79 1ml3 n SER 71 N -3.42 0.00 -4.85 -2.05 3.41 -1.26 -4.63 113.62 100.82 1ml3 n SER 71 Ca 0.08 -0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 1ml3 n SER 71 Cb 0.74 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 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 -2.23 5.14 -0.00 -3.33 1.01 0.12 -5.04 120.40 116.07 1ml3 s VAL 72 Ca 0.11 0.68 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 1ml3 s VAL 72 Cb 0.06 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1ml3 s VAL 72 CO 0.11 0.58 0.49 0.00 0.00 0.00 0.00 175.10 176.27 1ml3 h ALA 73 N 4.73 -0.48 -2.75 5.51 0.00 -1.87 -3.47 119.26 120.93 1ml3 h ALA 73 Ca -0.52 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 53.79 1ml3 h ALA 73 Cb 1.22 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1ml3 h ALA 73 CO 0.61 -0.47 -0.55 0.15 0.00 0.00 0.00 179.25 178.99 1ml3 s LYS 74 N -2.11 3.02 0.24 0.00 1.02 -1.26 -5.06 119.74 115.59 1ml3 s LYS 74 Ca -0.01 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.90 1ml3 s LYS 74 Cb 0.00 -2.73 -0.14 0.00 -0.52 0.00 0.00 37.83 34.43 1ml3 s LYS 74 CO 0.03 0.51 1.15 -0.25 -0.92 0.00 0.00 175.35 175.87 1ml3 n ASP 75 N -0.26 1.62 0.00 2.83 9.92 -1.26 -4.88 116.55 124.53 1ml3 n ASP 75 Ca -0.08 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 1ml3 n ASP 75 Cb 0.54 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 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 1.68 1.13 -4.13 -2.24 5.75 -0.74 -1.97 116.55 116.04 1ml3 n ASP 76 Ca 0.12 -1.56 -0.25 0.00 -0.01 0.00 0.00 54.79 53.09 1ml3 n ASP 76 Cb 0.29 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.22 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 -0.56 1.37 -0.02 2.12 2.01 0.41 -0.59 115.64 120.38 1ml3 s THR 77 Ca 0.00 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.22 1ml3 s THR 77 Cb 0.00 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 1ml3 s THR 77 CO 0.00 0.40 0.27 -0.76 -0.69 0.00 0.00 174.62 173.83 1ml3 s LEU 78 N -0.04 4.39 -0.17 4.42 1.02 0.09 -0.74 118.68 127.65 1ml3 s LEU 78 Ca -0.02 0.62 -0.00 0.00 0.02 0.00 0.00 54.13 54.75 1ml3 s LEU 78 Cb -0.10 -2.54 0.04 0.00 0.02 0.00 0.00 46.19 43.60 1ml3 s LEU 78 CO 0.01 0.29 -0.06 -0.69 0.02 0.00 0.00 176.35 175.93 1ml3 s VAL 79 N -1.21 1.23 -0.46 -1.59 1.01 0.23 -1.17 120.40 118.43 1ml3 s VAL 79 Ca 0.24 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1ml3 s VAL 79 Cb -0.14 -1.39 0.12 0.00 0.00 0.00 0.00 36.38 34.98 1ml3 s VAL 79 CO 0.13 0.13 0.23 -0.69 0.00 0.00 0.00 175.10 174.91 1ml3 s VAL 80 N 1.58 2.98 -1.21 2.92 1.01 -0.19 -0.98 120.40 126.51 1ml3 s VAL 80 Ca 0.00 -2.61 -0.08 0.00 0.00 0.00 0.00 61.98 59.29 1ml3 s VAL 80 Cb -0.15 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1ml3 s VAL 80 CO -0.08 -0.73 0.76 -3.20 0.00 0.00 0.00 175.10 171.85 1ml3 n ASN 81 N 3.94 -3.50 0.00 3.32 4.05 -1.25 -2.16 115.26 119.66 1ml3 n ASN 81 Ca 0.03 -0.87 0.00 0.00 0.45 0.00 0.00 54.58 54.19 1ml3 n ASN 81 Cb 0.39 -4.01 0.00 0.00 1.23 0.00 0.00 39.78 37.39 1ml3 n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ml3 n GLY 82 N -1.56 2.09 3.73 8.20 0.00 -1.26 -5.02 105.19 111.37 1ml3 n GLY 82 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.16 3.47 -0.19 1.61 5.04 -0.92 -5.07 115.29 116.07 1ml3 s HIS 83 Ca 0.00 0.60 -0.09 0.00 -1.54 0.00 0.00 55.06 54.03 1ml3 s HIS 83 Cb 0.00 -2.34 -0.05 0.00 0.04 0.00 0.00 32.58 30.23 1ml3 s HIS 83 CO 0.00 0.24 0.12 1.03 -2.34 0.00 0.00 174.74 173.80 1ml3 s ARG 84 N 0.44 4.05 -0.11 2.88 0.52 -1.26 -1.02 118.95 124.46 1ml3 s ARG 84 Ca 0.17 -0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 1ml3 s ARG 84 Cb -0.13 -3.36 0.02 0.00 0.52 0.00 0.00 34.95 32.00 1ml3 s ARG 84 CO 0.04 0.37 -0.11 0.42 0.02 0.00 0.00 175.30 176.04 1ml3 s ILE 85 N 0.14 1.23 0.11 1.52 1.09 -0.32 -4.71 121.20 120.26 1ml3 s ILE 85 Ca 0.09 -0.45 -0.26 0.00 -1.10 0.00 0.00 60.65 58.92 1ml3 s ILE 85 Cb -0.11 -1.17 -0.07 0.00 -1.06 0.00 0.00 42.46 40.05 1ml3 s ILE 85 CO -0.01 0.39 0.82 -0.22 -0.10 0.00 0.00 174.94 175.82 1ml3 s LEU 86 N 1.31 4.52 -0.72 2.97 2.96 -0.39 -0.73 118.68 128.60 1ml3 s LEU 86 Ca -0.01 1.61 -0.19 0.00 -0.22 0.00 0.00 54.13 55.32 1ml3 s LEU 86 Cb -0.14 -3.34 0.11 0.00 0.50 0.00 0.00 46.19 43.32 1ml3 s LEU 86 CO -0.05 0.08 0.89 0.00 -1.32 0.00 0.00 176.35 175.95 1ml3 s VAL 88 N 2.84 4.38 0.07 0.00 1.01 0.02 -4.63 120.40 124.09 1ml3 s VAL 88 Ca 0.20 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 1ml3 s VAL 88 Cb -0.16 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1ml3 s VAL 88 CO 0.02 0.28 1.07 -0.75 0.00 0.00 0.00 175.10 175.72 1ml3 s LYS 89 N -1.76 4.54 0.41 2.72 2.20 -1.26 -2.94 119.74 123.64 1ml3 s LYS 89 Ca 0.43 1.60 -0.24 0.00 -0.36 0.00 0.00 55.97 57.40 1ml3 s LYS 89 Cb -0.19 -3.38 -0.11 0.00 -1.51 0.00 0.00 37.83 32.64 1ml3 s LYS 89 CO 0.24 -0.06 0.94 0.00 -0.36 0.00 0.00 175.35 176.11 1ml3 n ALA 90 N 3.48 -0.10 -2.74 3.13 0.00 -0.36 -4.86 120.51 119.05 1ml3 n ALA 90 Ca 0.06 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 1ml3 n ALA 90 Cb 0.48 -2.03 -0.16 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.92 2.36 0.42 0.00 -1.52 -1.26 -5.00 119.66 112.73 1ml3 s GLN 91 Ca 0.63 -0.85 0.08 0.00 -1.95 0.00 0.00 55.36 53.28 1ml3 s GLN 91 Cb -0.58 -2.02 0.88 0.00 -0.22 0.00 0.00 33.01 31.07 1ml3 s GLN 91 CO 0.57 0.37 2.04 -0.09 -0.25 0.00 0.00 175.29 177.92 1ml3 h ARG 92 N 6.06 0.43 -4.76 2.91 2.43 -2.02 -3.40 114.38 116.03 1ml3 h ARG 92 Ca -0.33 -0.04 -0.62 0.00 -0.81 0.00 0.00 59.98 58.18 1ml3 h ARG 92 Cb 1.17 -0.09 -0.36 0.00 -0.42 0.00 0.00 29.97 30.28 1ml3 h ARG 92 CO 0.47 0.33 -0.84 1.21 -1.51 0.00 0.00 179.97 179.63 1ml3 s ASN 93 N -6.77 2.84 0.34 -3.80 3.84 -1.26 -5.04 114.94 105.08 1ml3 s ASN 93 Ca -0.07 -0.55 0.13 0.00 0.21 0.00 0.00 52.86 52.58 1ml3 s ASN 93 Cb 0.17 -1.26 1.03 0.00 -0.55 0.00 0.00 41.25 40.64 1ml3 s ASN 93 CO 0.73 -0.05 1.69 -0.65 -2.79 0.00 0.00 177.10 176.03 1ml3 h PRO 94 N 8.02 0.39 0.00 0.43 0.11 -1.84 -1.06 132.00 138.05 1ml3 h PRO 94 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ml3 h PRO 94 Cb 1.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ml3 h PRO 94 CO 0.56 0.26 0.06 0.00 -0.21 0.00 0.00 178.00 178.66 1ml3 h ALA 95 N 1.80 1.05 0.00 -0.75 0.00 -1.85 -1.39 119.26 118.12 1ml3 h ALA 95 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1ml3 h ALA 95 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1ml3 h ALA 95 CO -0.55 -0.05 -0.52 -0.44 0.00 0.00 0.00 179.25 177.69 1ml3 h ASP 96 N 0.00 0.00 -4.01 0.00 5.19 -1.46 -3.37 116.42 112.77 1ml3 h ASP 96 Ca 0.00 -0.08 -0.54 0.00 -0.62 0.00 0.00 57.03 55.78 1ml3 h ASP 96 Cb 0.11 0.00 0.12 0.00 0.18 0.00 0.00 39.33 39.75 1ml3 h ASP 96 CO 0.00 0.04 0.66 -0.76 -3.12 0.00 0.00 179.24 176.06 1ml3 s LEU 97 N -4.97 4.01 0.00 1.55 2.01 -0.52 -4.88 118.68 115.87 1ml3 s LEU 97 Ca 0.05 2.84 -0.02 0.00 0.01 0.00 0.00 54.13 57.01 1ml3 s LEU 97 Cb 0.11 -4.07 -0.08 0.00 0.01 0.00 0.00 46.19 42.15 1ml3 s LEU 97 CO 0.71 -1.31 2.49 -0.81 1.01 0.00 0.00 176.35 178.44 1ml3 n PRO 98 N -0.51 1.30 -0.07 1.29 -0.04 -1.26 -4.56 135.00 131.15 1ml3 n PRO 98 Ca 0.07 -0.30 -0.08 0.00 -0.04 0.00 0.00 63.50 63.16 1ml3 n PRO 98 Cb 0.43 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 1.60 0.08 0.10 0.54 -0.00 -1.89 -2.10 115.95 114.29 1ml3 h TRP 99 Ca 0.06 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.98 1ml3 h TRP 99 Cb 1.16 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.27 1ml3 h TRP 99 CO 0.70 0.02 -0.40 0.78 -0.00 0.00 0.00 178.44 179.54 1ml3 h GLY 100 N 0.15 -0.79 1.27 1.49 0.00 -0.20 0.86 103.07 105.85 1ml3 h GLY 100 Ca 0.12 0.48 0.07 0.00 0.00 0.00 0.00 47.33 48.01 1ml3 h GLY 100 CO -0.17 -0.26 0.29 0.50 0.00 0.00 0.00 176.54 176.90 1ml3 h LYS 101 N -0.62 0.00 0.00 4.80 1.57 -1.78 -1.94 116.57 118.59 1ml3 h LYS 101 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1ml3 h LYS 101 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1ml3 h LYS 101 CO -0.25 0.00 -1.31 1.28 -0.57 0.00 0.00 179.45 178.60 1ml3 n LEU 102 N -3.74 0.62 0.00 2.94 4.32 -0.43 -4.98 117.00 115.73 1ml3 n LEU 102 Ca 0.04 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 1ml3 n LEU 102 Cb 0.43 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1ml3 n LEU 102 CO 0.27 -0.10 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 1ml3 n GLY 103 N 1.23 0.62 3.64 -0.72 0.00 0.17 -5.01 105.19 105.12 1ml3 n GLY 103 Ca -0.02 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 4.32 -0.15 1.61 1.01 -0.98 -4.67 120.40 119.54 1ml3 s VAL 104 Ca 0.00 1.55 0.09 0.00 0.00 0.00 0.00 61.98 63.62 1ml3 s VAL 104 Cb 0.00 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.97 1ml3 s VAL 104 CO 0.00 -0.33 0.26 1.21 0.00 0.00 0.00 175.10 176.24 1ml3 n GLU 105 N 6.89 0.68 -5.11 2.72 2.13 -0.73 -4.01 120.64 123.21 1ml3 n GLU 105 Ca 0.14 0.17 -0.31 0.00 0.66 0.00 0.00 57.16 57.82 1ml3 n GLU 105 Cb 0.46 -1.64 -0.17 0.00 0.27 0.00 0.00 31.44 30.36 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 -2.54 2.36 -0.08 4.31 1.51 -0.68 -0.78 117.35 121.45 1ml3 s TYR 106 Ca -0.15 -0.95 0.04 0.00 -1.01 0.00 0.00 57.07 55.00 1ml3 s TYR 106 Cb 0.07 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1ml3 s TYR 106 CO 0.78 -0.39 -0.20 0.54 -1.11 0.00 0.00 175.55 175.17 1ml3 s VAL 107 N 0.38 1.74 -0.27 0.71 0.11 -0.77 -0.70 120.40 121.61 1ml3 s VAL 107 Ca -0.18 -0.84 -0.19 0.00 -2.93 0.00 0.00 61.98 57.84 1ml3 s VAL 107 Cb -0.17 -1.51 -0.02 0.00 -1.53 0.00 0.00 36.38 33.14 1ml3 s VAL 107 CO 0.08 0.49 0.57 -0.63 -3.33 0.00 0.00 175.10 172.27 1ml3 s ILE 108 N 0.34 5.02 -0.57 7.04 -1.09 0.12 -1.88 121.20 130.18 1ml3 s ILE 108 Ca -0.15 0.95 -0.17 0.00 -2.23 0.00 0.00 60.65 59.05 1ml3 s ILE 108 Cb -0.16 -3.89 0.12 0.00 -1.58 0.00 0.00 42.46 36.95 1ml3 s ILE 108 CO 0.06 0.03 0.59 -0.70 -1.23 0.00 0.00 174.94 173.70 1ml3 s GLU 109 N 2.41 3.02 -0.26 2.79 2.56 -0.16 -1.08 118.70 128.00 1ml3 s GLU 109 Ca 0.23 -1.57 0.14 0.00 0.00 0.00 0.00 54.97 53.78 1ml3 s GLU 109 Cb -0.15 -4.29 0.47 0.00 2.00 0.00 0.00 34.13 32.16 1ml3 s GLU 109 CO 0.09 -1.42 1.16 -1.13 -0.56 0.00 0.00 175.26 173.41 1ml3 n SER 110 N 5.68 3.26 0.03 -1.70 3.41 0.28 -1.13 113.62 123.45 1ml3 n SER 110 Ca -0.12 -3.04 0.05 0.00 -0.26 0.00 0.00 58.87 55.51 1ml3 n SER 110 Cb 0.41 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1ml3 n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ml3 n THR 111 N -0.64 0.76 -1.02 6.66 -2.24 -1.14 -4.59 114.28 112.08 1ml3 n THR 111 Ca 0.27 -0.62 -0.01 0.00 -2.27 0.00 0.00 64.05 61.42 1ml3 n THR 111 Cb 0.90 -0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1ml3 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ml3 n GLY 112 N 1.33 0.45 0.00 3.38 0.00 -1.26 -4.90 105.19 104.20 1ml3 n GLY 112 Ca -0.08 -0.96 0.01 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.09 0.00 -2.86 0.99 4.32 -1.26 -4.78 117.00 113.32 1ml3 n LEU 113 Ca -0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.72 1ml3 n LEU 113 Cb 0.03 0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 41.81 1ml3 n LEU 113 CO 0.01 0.01 0.13 0.49 -1.22 0.00 0.00 177.39 176.81 1ml3 n PHE 114 N -1.66 3.68 1.19 -1.77 3.72 -1.26 -4.76 117.46 116.59 1ml3 n PHE 114 Ca -0.01 -3.79 0.12 0.00 -0.05 0.00 0.00 57.45 53.71 1ml3 n PHE 114 Cb 0.14 -0.40 0.38 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.26 0.17 -3.40 4.37 -2.24 -1.26 -4.17 114.28 107.48 1ml3 n THR 115 Ca 0.32 -0.37 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 1ml3 n THR 115 Cb 0.47 0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.83 3.57 0.30 6.98 0.00 -1.26 -1.85 121.76 127.67 1ml3 s ALA 116 Ca 0.34 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1ml3 s ALA 116 Cb 0.19 -2.66 0.76 0.00 0.00 0.00 0.00 23.12 21.41 1ml3 s ALA 116 CO 0.29 -0.49 1.60 -0.22 0.00 0.00 0.00 175.76 176.93 1ml3 h LYS 117 N 7.80 0.06 -0.85 0.00 3.64 -0.05 0.25 116.57 127.43 1ml3 h LYS 117 Ca -0.34 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1ml3 h LYS 117 Cb 1.16 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1ml3 h LYS 117 CO 0.68 0.04 0.56 0.00 -2.27 0.00 0.00 179.45 178.46 1ml3 h ALA 118 N 1.91 1.08 -0.18 5.00 0.00 -1.88 -1.29 119.26 123.90 1ml3 h ALA 118 Ca 0.59 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.26 1ml3 h ALA 118 Cb 1.24 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ml3 h ALA 118 CO -0.82 0.46 -0.62 0.00 0.00 0.00 0.00 179.25 178.27 1ml3 h ALA 119 N 1.32 0.57 -0.05 0.00 0.00 -0.91 -3.19 119.26 117.00 1ml3 h ALA 119 Ca 0.32 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1ml3 h ALA 119 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ml3 h ALA 119 CO -0.08 0.70 -0.34 0.00 0.00 0.00 0.00 179.25 179.53 1ml3 h ALA 120 N 0.84 1.33 0.00 0.00 0.00 -0.73 -2.41 119.26 118.29 1ml3 h ALA 120 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ml3 h ALA 120 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ml3 h ALA 120 CO 0.12 0.48 0.00 0.39 0.00 0.00 0.00 179.25 180.24 1ml3 n GLU 121 N -4.11 0.07 -0.03 0.00 1.02 -0.52 -1.98 120.64 115.09 1ml3 n GLU 121 Ca -0.02 0.26 0.03 0.00 -0.02 0.00 0.00 57.16 57.41 1ml3 n GLU 121 Cb 0.40 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.70 1ml3 n GLU 121 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1ml3 h GLY 122 N 1.06 0.64 1.61 0.62 0.00 -1.58 -1.89 103.07 103.54 1ml3 h GLY 122 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1ml3 h GLY 122 CO 0.00 0.25 0.13 0.45 0.00 0.00 0.00 176.54 177.37 1ml3 h HIS 123 N 0.61 0.50 -0.44 5.60 3.86 -1.57 -1.59 115.15 122.12 1ml3 h HIS 123 Ca 0.16 -0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 1ml3 h HIS 123 Cb -0.01 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1ml3 h HIS 123 CO 0.00 0.41 -0.28 -0.07 0.86 0.00 0.00 177.93 178.85 1ml3 h LEU 124 N 0.50 0.99 -1.95 2.43 4.07 -1.49 -0.77 115.31 119.09 1ml3 h LEU 124 Ca 0.12 -0.40 -0.02 0.00 0.08 0.00 0.00 57.88 57.66 1ml3 h LEU 124 Cb 0.13 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 1ml3 h LEU 124 CO -0.01 1.20 -0.11 0.03 -1.08 0.00 0.00 178.44 178.47 1ml3 h ARG 125 N 0.80 0.00 0.00 1.13 3.08 -1.22 -0.00 114.38 118.17 1ml3 h ARG 125 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ml3 h ARG 125 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1ml3 h ARG 125 CO 0.08 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.50 1ml3 n GLY 126 N -0.91 -1.39 0.00 0.04 0.00 -0.67 -4.87 105.19 97.40 1ml3 n GLY 126 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.29 1.23 3.88 -0.02 0.00 -0.02 0.45 105.19 111.99 1ml3 n GLY 127 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 3.57 -0.16 4.61 0.00 -0.37 -4.37 121.76 123.03 1ml3 s ALA 128 Ca 0.00 -0.29 0.18 0.00 0.00 0.00 0.00 51.96 51.85 1ml3 s ALA 128 Cb 0.00 -2.43 -0.25 0.00 0.00 0.00 0.00 23.12 20.44 1ml3 s ALA 128 CO 0.00 0.49 0.13 0.54 0.00 0.00 0.00 175.76 176.92 1ml3 n ARG 129 N -0.20 0.84 -4.03 0.00 1.74 -0.37 -4.05 116.66 110.59 1ml3 n ARG 129 Ca 0.00 -0.04 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 1ml3 n ARG 129 Cb 0.52 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 1ml3 n ARG 129 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ml3 s LYS 130 N -2.63 0.47 -0.09 5.56 -0.14 0.04 -4.88 119.74 118.06 1ml3 s LYS 130 Ca -0.09 -0.91 -0.05 0.00 -1.36 0.00 0.00 55.97 53.56 1ml3 s LYS 130 Cb 0.07 0.17 0.04 0.00 -1.68 0.00 0.00 37.83 36.43 1ml3 s LYS 130 CO 0.79 -0.09 0.22 0.08 -0.76 0.00 0.00 175.35 175.60 1ml3 s VAL 131 N -2.70 -0.03 -0.27 3.17 1.01 -0.50 -1.84 120.40 119.24 1ml3 s VAL 131 Ca -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1ml3 s VAL 131 Cb -0.01 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 36.07 1ml3 s VAL 131 CO -0.06 0.05 -0.06 -0.69 0.00 0.00 0.00 175.10 174.35 1ml3 s VAL 132 N 1.01 2.70 -0.24 2.92 1.01 -0.79 -0.96 120.40 126.05 1ml3 s VAL 132 Ca -0.07 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.31 1ml3 s VAL 132 Cb -0.09 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1ml3 s VAL 132 CO -0.06 0.05 1.08 -0.63 0.00 0.00 0.00 175.10 175.53 1ml3 s ILE 133 N 1.24 4.60 0.00 2.22 1.01 0.88 -0.98 121.20 130.17 1ml3 s ILE 133 Ca -0.04 1.92 -0.01 0.00 0.00 0.00 0.00 60.65 62.53 1ml3 s ILE 133 Cb -0.18 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1ml3 s ILE 133 CO -0.04 -0.22 1.85 -1.54 0.00 0.00 0.00 174.94 174.99 1ml3 n SER 134 N 6.45 4.24 -3.64 3.58 3.41 -0.29 -1.94 113.62 125.43 1ml3 n SER 134 Ca 0.12 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1ml3 n SER 134 Cb 0.46 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1ml3 n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ml3 s ALA 135 N 0.59 -2.10 0.38 7.33 0.00 -1.20 -4.95 121.76 121.82 1ml3 s ALA 135 Ca 0.10 0.22 -0.27 0.00 0.00 0.00 0.00 51.96 52.01 1ml3 s ALA 135 Cb 0.05 0.63 -0.09 0.00 0.00 0.00 0.00 23.12 23.70 1ml3 s ALA 135 CO 0.00 -1.08 1.32 -2.14 0.00 0.00 0.00 175.76 173.86 1ml3 s PRO 136 N -2.37 4.10 0.51 0.00 0.02 -1.19 -4.06 135.00 132.01 1ml3 s PRO 136 Ca 0.20 2.21 0.03 0.00 0.02 0.00 0.00 61.00 63.45 1ml3 s PRO 136 Cb 0.01 -2.87 0.03 0.00 0.02 0.00 0.00 34.50 31.68 1ml3 s PRO 136 CO -0.00 -0.40 0.22 0.00 -0.33 0.00 0.00 177.00 176.49 1ml3 n ALA 137 N 0.37 0.64 -2.81 -1.55 0.00 -1.26 -4.86 120.51 111.04 1ml3 n ALA 137 Ca 0.02 -2.14 -0.09 0.00 0.00 0.00 0.00 53.44 51.22 1ml3 n ALA 137 Cb 0.43 1.01 -0.06 0.00 0.00 0.00 0.00 19.45 20.83 1ml3 n ALA 137 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ml3 s SER 138 N -3.91 -0.03 0.00 0.00 1.04 -0.77 -4.90 113.70 105.13 1ml3 s SER 138 Ca 0.17 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1ml3 s SER 138 Cb -0.01 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1ml3 s SER 138 CO 0.11 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1ml3 n GLY 139 N -0.19 0.63 0.78 7.32 0.00 -1.26 0.68 105.19 113.15 1ml3 n GLY 139 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.01 1.18 3.74 -0.02 0.00 -1.26 -4.80 105.19 102.02 1ml3 n GLY 140 Ca 0.00 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 3.32 0.21 4.61 0.00 -1.26 -4.99 121.76 121.64 1ml3 s ALA 141 Ca 0.00 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.11 1ml3 s ALA 141 Cb 0.00 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 1ml3 s ALA 141 CO 0.00 0.06 1.62 0.21 0.00 0.00 0.00 175.76 177.66 1ml3 s LYS 142 N -0.27 4.17 -0.18 0.00 2.47 -1.25 -4.68 119.74 119.99 1ml3 s LYS 142 Ca 0.42 2.50 -0.09 0.00 -1.56 0.00 0.00 55.97 57.24 1ml3 s LYS 142 Cb -0.23 -3.09 -0.05 0.00 -1.46 0.00 0.00 37.83 33.00 1ml3 s LYS 142 CO 0.28 -0.65 0.10 0.99 0.16 0.00 0.00 175.35 176.22 1ml3 s THR 143 N 0.85 5.15 -0.04 3.43 2.01 -1.26 -0.41 115.64 125.38 1ml3 s THR 143 Ca 0.70 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.82 1ml3 s THR 143 Cb -0.47 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1ml3 s THR 143 CO 0.36 0.47 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.87 1ml3 s LEU 144 N 0.22 1.80 -0.23 4.42 1.43 0.35 -4.91 118.68 121.77 1ml3 s LEU 144 Ca 0.07 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1ml3 s LEU 144 Cb -0.12 -0.74 0.06 0.00 0.03 0.00 0.00 46.19 45.42 1ml3 s LEU 144 CO -0.01 0.09 -0.08 -0.69 0.23 0.00 0.00 176.35 175.90 1ml3 s VAL 145 N 0.22 1.68 0.11 -1.59 1.01 -1.26 -4.15 120.40 116.41 1ml3 s VAL 145 Ca -0.05 -1.25 -0.35 0.00 0.00 0.00 0.00 61.98 60.33 1ml3 s VAL 145 Cb -0.11 -1.87 -0.15 0.00 0.00 0.00 0.00 36.38 34.26 1ml3 s VAL 145 CO 0.02 -0.03 1.54 0.23 0.00 0.00 0.00 175.10 176.86 1ml3 n MET 146 N 4.63 1.84 0.00 2.72 2.81 -1.26 -0.39 117.12 127.47 1ml3 n MET 146 Ca -0.13 0.66 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 1ml3 n MET 146 Cb 0.44 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.55 1ml3 n MET 146 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ml3 n GLY 147 N 3.26 1.62 0.85 3.03 0.00 -1.26 -4.86 105.19 107.83 1ml3 n GLY 147 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 1.05 -1.73 1.61 0.31 0.48 -4.96 118.33 113.10 1ml3 n VAL 148 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1ml3 n VAL 148 Cb 0.00 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 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 -3.59 0.00 0.33 4.52 6.94 -0.83 -4.90 115.26 117.74 1ml3 n ASN 149 Ca -0.05 -1.66 0.22 0.00 -0.02 0.00 0.00 54.58 53.08 1ml3 n ASN 149 Cb 0.22 -0.13 1.19 0.00 -2.36 0.00 0.00 39.78 38.70 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 -0.43 115.15 112.35 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 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 1ml3 h HIS 150 CO 0.05 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.63 1ml3 n HIS 151 N -3.11 0.00 0.67 6.12 8.25 -1.26 -2.13 115.22 123.75 1ml3 n HIS 151 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 1ml3 n HIS 151 Cb 0.08 -0.00 0.25 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.50 2.28 -2.17 -0.41 1.02 -0.17 -4.90 120.64 115.79 1ml3 n GLU 152 Ca 0.00 -1.91 -0.42 0.00 -0.02 0.00 0.00 57.16 54.80 1ml3 n GLU 152 Cb 0.00 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.66 2.41 -0.45 -0.32 5.04 -0.91 -4.97 117.35 116.49 1ml3 s TYR 153 Ca 0.36 0.55 -0.09 0.00 -2.44 0.00 0.00 57.07 55.45 1ml3 s TYR 153 Cb 0.21 -3.75 0.11 0.00 0.35 0.00 0.00 41.96 38.88 1ml3 s TYR 153 CO 0.30 -2.97 0.31 1.21 -1.34 0.00 0.00 175.55 173.07 1ml3 s ASN 154 N 2.64 5.66 0.35 4.32 3.84 -1.26 -4.99 114.94 125.50 1ml3 s ASN 154 Ca 0.66 -1.81 0.15 0.00 0.21 0.00 0.00 52.86 52.07 1ml3 s ASN 154 Cb -0.30 -1.99 1.15 0.00 -0.55 0.00 0.00 41.25 39.56 1ml3 s ASN 154 CO 0.25 -0.64 1.54 -2.65 -2.79 0.00 0.00 177.10 172.80 1ml3 n PRO 155 N 4.89 -0.06 -0.08 0.43 -0.02 -1.26 -0.78 135.00 138.12 1ml3 n PRO 155 Ca -0.08 1.38 0.12 0.00 -2.02 0.00 0.00 63.50 62.90 1ml3 n PRO 155 Cb 0.41 -2.40 0.24 0.00 -0.02 0.00 0.00 33.50 31.74 1ml3 n PRO 155 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ml3 n SER 156 N -5.28 2.76 -0.00 2.55 3.41 -1.26 -4.47 113.62 111.33 1ml3 n SER 156 Ca 0.33 -1.89 -0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1ml3 n SER 156 Cb 1.11 -0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1ml3 n SER 156 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ml3 n GLU 157 N 1.09 1.84 -3.44 4.33 4.07 0.04 -4.97 120.64 123.59 1ml3 n GLU 157 Ca 0.17 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.84 1ml3 n GLU 157 Cb 0.53 -1.01 -0.09 0.00 -0.06 0.00 0.00 31.44 30.81 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 -2.01 3.25 -0.08 4.31 3.76 -0.17 -4.88 115.29 119.46 1ml3 s HIS 158 Ca -0.01 -0.83 0.10 0.00 -0.15 0.00 0.00 55.06 54.17 1ml3 s HIS 158 Cb 0.00 -2.88 -0.14 0.00 1.11 0.00 0.00 32.58 30.67 1ml3 s HIS 158 CO 0.02 -0.71 0.10 0.72 -0.85 0.00 0.00 174.74 174.01 1ml3 n HIS 159 N 5.16 0.00 -3.95 1.40 8.25 -1.26 -4.75 115.22 120.06 1ml3 n HIS 159 Ca -0.12 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.04 1ml3 n HIS 159 Cb 0.45 -0.45 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 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 -2.41 1.59 0.36 1.59 1.01 -1.26 -1.41 120.40 119.88 1ml3 s VAL 160 Ca -0.05 -1.25 0.06 0.00 0.00 0.00 0.00 61.98 60.74 1ml3 s VAL 160 Cb 0.04 -1.83 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1ml3 s VAL 160 CO 0.45 -0.08 0.01 0.68 0.00 0.00 0.00 175.10 176.16 1ml3 s VAL 161 N 1.37 1.69 -0.07 2.92 -7.23 -0.14 -3.79 120.40 115.16 1ml3 s VAL 161 Ca -0.06 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.14 1ml3 s VAL 161 Cb -0.19 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.90 1ml3 s VAL 161 CO -0.06 -0.05 -0.24 -0.55 -0.31 0.00 0.00 175.10 173.89 1ml3 s SER 162 N -3.60 3.12 -0.10 4.85 0.15 0.46 -0.08 113.70 118.49 1ml3 s SER 162 Ca 0.35 -0.51 0.08 0.00 0.70 0.00 0.00 55.95 56.57 1ml3 s SER 162 Cb 0.08 -0.99 0.42 0.00 -1.71 0.00 0.00 66.02 63.82 1ml3 s SER 162 CO 0.16 0.23 1.19 -3.20 1.20 0.00 0.00 173.24 172.82 1ml3 n ASN 163 N 3.08 3.22 0.00 5.45 5.15 -0.82 -0.49 115.26 130.85 1ml3 n ASN 163 Ca -0.18 -2.39 0.00 0.00 -0.60 0.00 0.00 54.58 51.42 1ml3 n ASN 163 Cb 0.52 -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 0.41 0.00 -2.52 5.20 0.00 -1.26 -4.79 120.51 117.55 1ml3 n ALA 164 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 1ml3 n ALA 164 Cb 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.07 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 4.44 0.02 0.00 1.04 -1.26 -3.17 113.70 110.76 1ml3 s SER 165 Ca 0.00 -1.34 -0.24 0.00 0.48 0.00 0.00 55.95 54.85 1ml3 s SER 165 Cb 0.00 0.28 -0.17 0.00 0.10 0.00 0.00 66.02 66.23 1ml3 s SER 165 CO 0.00 -0.92 1.37 0.00 0.98 0.00 0.00 173.24 174.67 1ml3 h THR 167 N -0.25 1.13 -0.78 0.00 2.02 -1.96 -1.14 112.91 111.93 1ml3 h THR 167 Ca 0.01 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1ml3 h THR 167 Cb 0.46 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1ml3 h THR 167 CO 0.01 0.15 0.28 0.74 0.37 0.00 0.00 175.52 177.07 1ml3 h THR 168 N 0.84 1.26 0.00 3.16 2.02 -1.78 0.10 112.91 118.51 1ml3 h THR 168 Ca 0.25 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1ml3 h THR 168 Cb -0.05 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1ml3 h THR 168 CO -0.08 0.35 0.00 0.78 0.37 0.00 0.00 175.52 176.94 1ml3 h ASN 169 N 1.14 0.00 0.07 4.18 2.35 -0.66 0.14 115.58 122.80 1ml3 h ASN 169 Ca 0.26 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.64 1ml3 h ASN 169 Cb 0.26 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1ml3 h ASN 169 CO -0.02 0.00 -2.06 0.00 -1.65 0.00 0.00 177.43 173.70 1ml3 h LEU 171 N -0.16 -0.48 -0.97 0.00 6.46 -0.47 -3.37 115.31 116.33 1ml3 h LEU 171 Ca -0.47 0.02 0.20 0.00 -0.12 0.00 0.00 57.88 57.50 1ml3 h LEU 171 Cb 1.88 0.13 -0.18 0.00 -0.73 0.00 0.00 40.66 41.75 1ml3 h LEU 171 CO -0.03 -0.16 -0.23 0.00 -0.62 0.00 0.00 178.44 177.40 1ml3 n ALA 172 N -2.57 0.25 -0.33 1.25 0.00 0.45 -0.38 120.51 119.17 1ml3 n ALA 172 Ca -0.07 1.07 0.07 0.00 0.00 0.00 0.00 53.44 54.51 1ml3 n ALA 172 Cb 0.23 -0.65 0.24 0.00 0.00 0.00 0.00 19.45 19.27 1ml3 n ALA 172 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ml3 h PRO 173 N 0.00 0.82 0.19 0.00 0.11 -1.78 0.62 132.00 131.96 1ml3 h PRO 173 Ca 0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.52 1ml3 h PRO 173 Cb 0.73 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1ml3 h PRO 173 CO -0.99 0.54 -0.09 0.82 -0.21 0.00 0.00 178.00 178.06 1ml3 h ILE 174 N 0.84 0.90 -0.85 4.15 1.08 -0.87 -2.15 117.51 120.61 1ml3 h ILE 174 Ca 0.49 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1ml3 h ILE 174 Cb 0.57 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 1ml3 h ILE 174 CO -0.30 0.11 0.42 0.58 -0.69 0.00 0.00 178.15 178.27 1ml3 h VAL 175 N -0.50 1.26 -0.95 1.67 2.07 -0.80 -1.52 116.25 117.48 1ml3 h VAL 175 Ca -0.03 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1ml3 h VAL 175 Cb 0.38 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1ml3 h VAL 175 CO 0.04 0.31 0.63 -0.74 0.02 0.00 0.00 177.57 177.83 1ml3 h HIS 176 N 1.21 1.17 -0.29 1.57 -0.00 0.29 0.11 115.15 119.22 1ml3 h HIS 176 Ca 0.29 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.54 1ml3 h HIS 176 Cb 0.10 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 1ml3 h HIS 176 CO 0.01 0.71 -0.44 0.28 -0.00 0.00 0.00 177.93 178.49 1ml3 h VAL 177 N 1.24 1.29 -0.63 5.26 2.07 -0.76 -0.47 116.25 124.25 1ml3 h VAL 177 Ca 0.36 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1ml3 h VAL 177 Cb -0.07 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1ml3 h VAL 177 CO -0.10 0.53 0.25 -0.07 0.02 0.00 0.00 177.57 178.20 1ml3 h LEU 178 N 0.59 0.87 -0.08 2.57 3.38 -0.31 -0.50 115.31 121.83 1ml3 h LEU 178 Ca 0.04 -0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.63 1ml3 h LEU 178 Cb 1.00 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1ml3 h LEU 178 CO 0.09 0.80 -0.75 0.58 0.09 0.00 0.00 178.44 179.25 1ml3 h VAL 179 N 0.88 1.32 -0.40 1.22 2.07 -0.73 -0.63 116.25 119.98 1ml3 h VAL 179 Ca 0.21 -2.03 -0.11 0.00 0.82 0.00 0.00 66.70 65.59 1ml3 h VAL 179 Cb 0.20 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1ml3 h VAL 179 CO -0.02 0.62 -0.18 0.50 0.02 0.00 0.00 177.57 178.52 1ml3 h LYS 180 N 0.30 0.83 0.00 1.57 3.64 -1.03 -2.89 116.57 118.99 1ml3 h LYS 180 Ca -0.07 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1ml3 h LYS 180 Cb 1.41 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1ml3 h LYS 180 CO 0.15 0.99 0.00 0.93 -2.27 0.00 0.00 179.45 179.25 1ml3 h GLU 181 N 0.64 0.00 0.00 1.90 4.39 -1.19 -3.47 114.58 116.85 1ml3 h GLU 181 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1ml3 h GLU 181 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1ml3 h GLU 181 CO 0.06 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.32 1ml3 n GLY 182 N 0.09 0.89 0.10 -3.84 0.00 -1.09 -4.97 105.19 96.38 1ml3 n GLY 182 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 0.32 0.00 1.61 0.04 -1.41 -3.46 116.94 114.05 1ml3 h PHE 183 Ca 0.00 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1ml3 h PHE 183 Cb 0.00 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1ml3 h PHE 183 CO 0.00 1.05 0.00 0.41 -0.60 0.00 0.00 178.31 179.17 1ml3 n GLY 184 N 1.27 -2.10 2.90 -1.45 0.00 -0.53 -0.96 105.19 104.32 1ml3 n GLY 184 Ca -0.11 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.42 1.55 -0.05 1.61 1.01 -1.26 -2.35 120.40 117.48 1ml3 s VAL 185 Ca 0.00 -1.62 -0.18 0.00 0.00 0.00 0.00 61.98 60.17 1ml3 s VAL 185 Cb 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 36.38 34.22 1ml3 s VAL 185 CO 0.00 -0.43 0.76 -0.61 0.00 0.00 0.00 175.10 174.81 1ml3 h GLN 186 N 7.89 -0.27 -3.30 2.72 4.15 -1.59 -3.47 115.11 121.24 1ml3 h GLN 186 Ca -0.12 0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.19 1ml3 h GLN 186 Cb 1.04 0.06 -0.20 0.00 0.21 0.00 0.00 27.48 28.59 1ml3 h GLN 186 CO 0.46 0.07 -0.37 0.95 -1.93 0.00 0.00 178.83 178.02 1ml3 s THR 187 N -3.26 0.08 -0.00 2.39 -4.23 -1.25 -4.80 115.64 104.56 1ml3 s THR 187 Ca -0.11 -0.63 -0.27 0.00 -1.18 0.00 0.00 61.69 59.51 1ml3 s THR 187 Cb 0.00 -0.61 0.06 0.00 1.34 0.00 0.00 72.50 73.30 1ml3 s THR 187 CO 0.39 -0.34 0.60 -0.83 -0.54 0.00 0.00 174.62 173.90 1ml3 s GLY 188 N -1.50 -0.51 -0.00 3.99 0.00 -0.16 -1.77 107.32 107.37 1ml3 s GLY 188 Ca -0.12 0.98 0.01 0.00 0.00 0.00 0.00 44.72 45.59 1ml3 s GLY 188 CO 0.02 0.65 -0.04 1.08 0.00 0.00 0.00 173.10 174.81 1ml3 s LEU 189 N -1.54 2.02 0.09 0.66 1.43 0.29 -3.23 118.68 118.40 1ml3 s LEU 189 Ca -0.09 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1ml3 s LEU 189 Cb -0.01 -0.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.98 1ml3 s LEU 189 CO 0.04 0.04 -0.12 0.00 0.23 0.00 0.00 176.35 176.54 1ml3 s MET 190 N -0.16 0.84 -0.03 1.70 0.23 -0.77 -0.55 119.30 120.56 1ml3 s MET 190 Ca 0.01 -1.07 0.03 0.00 -1.03 0.00 0.00 55.69 53.63 1ml3 s MET 190 Cb -0.02 -0.66 0.00 0.00 -1.53 0.00 0.00 34.83 32.62 1ml3 s MET 190 CO -0.00 0.12 -0.09 0.99 -2.03 0.00 0.00 175.02 174.01 1ml3 s THR 191 N -1.93 0.82 -0.18 3.16 2.01 -0.60 -1.57 115.64 117.35 1ml3 s THR 191 Ca 0.02 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1ml3 s THR 191 Cb -0.06 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.73 1ml3 s THR 191 CO 0.01 0.26 -0.16 0.28 -0.69 0.00 0.00 174.62 174.31 1ml3 s THR 192 N 0.21 2.40 -0.61 -0.82 -1.32 -0.98 0.30 115.64 114.83 1ml3 s THR 192 Ca -0.04 -0.83 -0.23 0.00 -1.21 0.00 0.00 61.69 59.39 1ml3 s THR 192 Cb -0.09 -2.03 0.06 0.00 -1.51 0.00 0.00 72.50 68.93 1ml3 s THR 192 CO 0.01 0.51 0.93 -0.63 -2.21 0.00 0.00 174.62 173.23 1ml3 s ILE 193 N 1.22 4.39 -0.09 5.08 1.09 -0.70 -0.94 121.20 131.26 1ml3 s ILE 193 Ca 0.03 -0.17 -0.03 0.00 -1.10 0.00 0.00 60.65 59.38 1ml3 s ILE 193 Cb -0.14 -4.60 -0.03 0.00 -1.06 0.00 0.00 42.46 36.62 1ml3 s ILE 193 CO -0.08 -1.29 0.03 -2.28 -0.10 0.00 0.00 174.94 171.22 1ml3 s HIS 194 N 3.90 3.26 0.57 3.97 2.46 0.23 -1.90 115.29 127.77 1ml3 s HIS 194 Ca 0.24 0.27 -0.18 0.00 0.47 0.00 0.00 55.06 55.86 1ml3 s HIS 194 Cb -0.16 -1.82 -0.05 0.00 -0.13 0.00 0.00 32.58 30.43 1ml3 s HIS 194 CO 0.13 0.53 1.09 -1.12 -2.47 0.00 0.00 174.74 172.90 1ml3 s SER 195 N -0.93 5.75 0.81 9.88 0.01 -1.25 -0.77 113.70 127.20 1ml3 s SER 195 Ca 0.14 2.00 -0.10 0.00 1.31 0.00 0.00 55.95 59.29 1ml3 s SER 195 Cb -0.11 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.64 1ml3 s SER 195 CO 0.03 -1.19 1.10 -0.72 0.41 0.00 0.00 173.24 172.87 1ml3 s TYR 196 N -2.10 2.34 0.07 2.43 -0.85 -0.91 -4.79 117.35 113.54 1ml3 s TYR 196 Ca 0.68 1.59 0.01 0.00 -0.52 0.00 0.00 57.07 58.83 1ml3 s TYR 196 Cb -0.20 -3.12 -0.00 0.00 0.38 0.00 0.00 41.96 39.02 1ml3 s TYR 196 CO 0.31 -2.07 0.03 0.25 -1.52 0.00 0.00 175.55 172.55 1ml3 n THR 197 N -3.71 0.00 0.25 -3.49 -2.24 -1.26 -4.69 114.28 99.14 1ml3 n THR 197 Ca 0.10 -0.44 0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1ml3 n THR 197 Cb 0.53 0.17 0.65 0.00 -2.10 0.00 0.00 70.33 69.57 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 1.13 1.62 0.00 6.98 0.00 -1.98 -2.68 119.26 124.33 1ml3 h ALA 198 Ca -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ml3 h ALA 198 Cb 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ml3 h ALA 198 CO 0.09 0.14 -0.01 1.79 0.00 0.00 0.00 179.25 181.26 1ml3 h THR 199 N 0.00 0.02 -3.80 0.00 1.35 -1.99 -3.45 112.91 105.03 1ml3 h THR 199 Ca -0.00 -0.51 -0.37 0.00 -0.55 0.00 0.00 66.41 64.98 1ml3 h THR 199 Cb 0.22 1.50 0.14 0.00 -1.73 0.00 0.00 68.15 68.28 1ml3 h THR 199 CO 0.01 0.01 0.32 0.00 -0.25 0.00 0.00 175.52 175.61 1ml3 n GLN 200 N -3.10 -0.96 -4.53 4.72 6.02 -1.01 -5.00 117.38 113.52 1ml3 n GLN 200 Ca 0.00 -1.84 -0.27 0.00 -0.01 0.00 0.00 57.00 54.89 1ml3 n GLN 200 Cb 0.30 -1.09 -0.13 0.00 1.02 0.00 0.00 30.24 30.34 1ml3 n GLN 200 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ml3 s LYS 201 N -5.38 1.39 0.03 -1.09 3.01 -1.26 -5.01 119.74 111.43 1ml3 s LYS 201 Ca 0.63 -1.14 -0.20 0.00 -1.01 0.00 0.00 55.97 54.26 1ml3 s LYS 201 Cb -0.02 -1.65 -0.17 0.00 -1.01 0.00 0.00 37.83 34.98 1ml3 s LYS 201 CO 0.44 0.41 1.25 1.79 0.51 0.00 0.00 175.35 179.75 1ml3 h THR 202 N 4.14 1.38 -3.27 2.17 1.35 -1.91 0.30 112.91 117.07 1ml3 h THR 202 Ca -0.46 -1.64 -0.49 0.00 -0.55 0.00 0.00 66.41 63.26 1ml3 h THR 202 Cb 1.16 2.14 -0.17 0.00 -1.73 0.00 0.00 68.15 69.55 1ml3 h THR 202 CO 0.41 0.48 -0.77 0.68 -0.25 0.00 0.00 175.52 176.08 1ml3 s VAL 203 N -3.85 1.73 -0.42 6.82 -7.23 -1.26 -4.00 120.40 112.20 1ml3 s VAL 203 Ca -0.14 -1.94 -0.43 0.00 -1.81 0.00 0.00 61.98 57.67 1ml3 s VAL 203 Cb 0.05 -1.83 -0.17 0.00 0.56 0.00 0.00 36.38 34.99 1ml3 s VAL 203 CO 0.79 -0.38 1.88 0.47 -0.31 0.00 0.00 175.10 177.55 1ml3 n ASP 204 N 0.22 1.56 -1.05 4.85 8.00 -1.26 -4.44 116.55 124.43 1ml3 n ASP 204 Ca -0.13 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.28 1ml3 n ASP 204 Cb 0.58 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1ml3 n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ml3 n GLY 205 N 5.39 4.96 3.72 0.44 0.00 0.29 -4.94 105.19 115.05 1ml3 n GLY 205 Ca 0.38 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 1ml3 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ml3 s VAL 206 N -0.93 4.86 -0.49 1.61 1.01 -1.26 -4.69 120.40 120.52 1ml3 s VAL 206 Ca 0.00 1.79 0.05 0.00 0.00 0.00 0.00 61.98 63.82 1ml3 s VAL 206 Cb 0.00 -4.19 0.23 0.00 0.00 0.00 0.00 36.38 32.41 1ml3 s VAL 206 CO 0.00 0.24 0.87 -0.24 0.00 0.00 0.00 175.10 175.97 1ml3 n SER 207 N 3.55 -2.95 -0.08 3.32 2.88 -1.26 -4.88 113.62 114.19 1ml3 n SER 207 Ca 0.02 -3.03 0.11 0.00 -1.33 0.00 0.00 58.87 54.64 1ml3 n SER 207 Cb 0.51 1.72 0.49 0.00 -0.75 0.00 0.00 64.21 66.17 1ml3 n SER 207 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1ml3 h VAL 208 N 3.52 0.92 0.00 2.46 2.07 -1.95 -2.46 116.25 120.81 1ml3 h VAL 208 Ca -0.08 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1ml3 h VAL 208 Cb 1.07 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1ml3 h VAL 208 CO 0.19 0.08 -0.36 0.11 0.02 0.00 0.00 177.57 177.61 1ml3 h LYS 209 N 0.44 0.00 -1.95 1.57 1.57 -2.03 -3.40 116.57 112.77 1ml3 h LYS 209 Ca 0.27 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.63 1ml3 h LYS 209 Cb 0.47 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.47 1ml3 h LYS 209 CO -0.07 0.14 -0.76 0.34 -0.57 0.00 0.00 179.45 178.53 1ml3 s ASP 210 N -6.12 0.86 0.19 0.86 -1.08 -0.95 -5.02 116.67 105.40 1ml3 s ASP 210 Ca 0.05 -2.17 -0.15 0.00 -0.52 0.00 0.00 52.55 49.75 1ml3 s ASP 210 Cb 0.07 0.41 0.17 0.00 -1.46 0.00 0.00 42.92 42.11 1ml3 s ASP 210 CO 0.72 -0.19 1.65 -0.50 0.52 0.00 0.00 175.17 177.36 1ml3 h TRP 211 N 6.16 -0.26 -0.02 -5.34 4.06 -1.72 0.26 115.95 119.10 1ml3 h TRP 211 Ca 0.13 0.05 -0.04 0.00 2.06 0.00 0.00 58.89 61.09 1ml3 h TRP 211 Cb 1.01 0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 1ml3 h TRP 211 CO 0.27 -0.22 -0.17 0.00 -3.56 0.00 0.00 178.44 174.76 1ml3 h ARG 212 N 0.01 0.03 0.00 0.49 3.08 -1.91 -1.53 114.38 114.54 1ml3 h ARG 212 Ca 0.25 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1ml3 h ARG 212 Cb 0.38 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ml3 h ARG 212 CO -0.52 0.20 0.00 0.41 -1.07 0.00 0.00 179.97 178.99 1ml3 n GLY 213 N -1.01 -0.80 0.02 0.04 0.00 0.89 -2.58 105.19 101.75 1ml3 n GLY 213 Ca -0.02 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 0.16 -1.13 3.79 -0.02 0.00 -0.58 -4.28 105.19 103.13 1ml3 n GLY 214 Ca 0.09 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.18 3.72 -0.46 1.61 1.81 -1.07 -0.55 118.95 120.84 1ml3 s ARG 215 Ca 0.04 1.43 -0.42 0.00 -1.72 0.00 0.00 55.73 55.05 1ml3 s ARG 215 Cb 0.15 -2.10 -0.18 0.00 -0.45 0.00 0.00 34.95 32.37 1ml3 s ARG 215 CO 0.83 -0.51 1.69 0.00 -0.68 0.00 0.00 175.30 176.63 1ml3 n ALA 216 N -0.99 -0.60 -0.07 2.13 0.00 -1.26 -4.54 120.51 115.19 1ml3 n ALA 216 Ca 0.10 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 1ml3 n ALA 216 Cb 0.52 -1.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 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 6.21 0.29 -0.22 0.00 0.00 -0.52 -3.20 119.26 121.83 1ml3 h ALA 217 Ca -0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ml3 h ALA 217 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ml3 h ALA 217 CO 0.94 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1ml3 n ALA 218 N -2.27 2.52 -0.98 0.00 0.00 -1.26 -3.72 120.51 114.80 1ml3 n ALA 218 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1ml3 n ALA 218 Cb 0.16 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 0.16 0.28 -4.06 0.00 0.24 -1.24 -4.73 118.33 108.97 1ml3 n VAL 219 Ca 0.08 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 1ml3 n VAL 219 Cb 0.23 0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 33.25 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 -0.49 0.74 -0.35 -1.34 0.01 -1.21 -5.07 114.94 107.24 1ml3 s ASN 220 Ca 0.02 -0.47 -0.17 0.00 -0.71 0.00 0.00 52.86 51.53 1ml3 s ASN 220 Cb 0.01 0.03 -0.01 0.00 0.41 0.00 0.00 41.25 41.70 1ml3 s ASN 220 CO 0.00 -0.17 0.43 -0.63 -1.51 0.00 0.00 177.10 175.21 1ml3 s ILE 221 N -1.19 5.10 -0.29 0.60 1.01 -1.26 -4.27 121.20 120.90 1ml3 s ILE 221 Ca -0.09 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 1ml3 s ILE 221 Cb -0.09 -3.90 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1ml3 s ILE 221 CO 0.00 -0.18 -0.03 -0.63 0.00 0.00 0.00 174.94 174.11 1ml3 s ILE 222 N 2.17 2.81 0.63 2.92 1.01 0.79 -4.94 121.20 126.61 1ml3 s ILE 222 Ca 0.14 -1.42 -0.18 0.00 0.00 0.00 0.00 60.65 59.19 1ml3 s ILE 222 Cb -0.16 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1ml3 s ILE 222 CO 0.12 -0.08 1.22 -2.84 0.00 0.00 0.00 174.94 173.37 1ml3 s PRO 223 N 1.22 2.73 -0.26 2.79 0.02 -1.26 -0.36 135.00 139.88 1ml3 s PRO 223 Ca -0.06 1.85 -0.25 0.00 0.02 0.00 0.00 61.00 62.55 1ml3 s PRO 223 Cb -0.20 -1.90 0.08 0.00 0.02 0.00 0.00 34.50 32.51 1ml3 s PRO 223 CO -0.02 -1.40 0.79 0.45 -0.33 0.00 0.00 177.00 176.48 1ml3 s SER 224 N -1.67 -0.68 0.69 2.53 0.15 0.17 -4.81 113.70 110.08 1ml3 s SER 224 Ca 0.78 1.28 -0.11 0.00 0.70 0.00 0.00 55.95 58.60 1ml3 s SER 224 Cb -0.31 1.29 0.01 0.00 -1.71 0.00 0.00 66.02 65.29 1ml3 s SER 224 CO 0.37 -0.25 1.06 0.42 1.20 0.00 0.00 173.24 176.04 1ml3 s THR 225 N 0.25 4.01 -0.11 6.45 -4.23 -1.26 0.11 115.64 120.86 1ml3 s THR 225 Ca 0.00 0.67 -0.25 0.00 -1.18 0.00 0.00 61.69 60.92 1ml3 s THR 225 Cb -0.05 -3.39 0.06 0.00 1.34 0.00 0.00 72.50 70.46 1ml3 s THR 225 CO -0.00 -0.84 0.61 0.28 -0.54 0.00 0.00 174.62 174.13 1ml3 s THR 226 N -3.01 0.01 -1.75 3.99 -1.32 -1.25 -4.70 115.64 107.62 1ml3 s THR 226 Ca 0.58 -0.07 0.23 0.00 -1.21 0.00 0.00 61.69 61.22 1ml3 s THR 226 Cb -0.14 -0.90 -0.03 0.00 -1.51 0.00 0.00 72.50 69.92 1ml3 s THR 226 CO 0.54 -0.04 1.10 0.61 -2.21 0.00 0.00 174.62 174.62 1ml3 n GLY 227 N 1.62 -0.29 0.35 6.08 0.00 -1.26 -4.48 105.19 107.20 1ml3 n GLY 227 Ca -0.18 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.31 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 3.64 0.71 -0.04 4.61 0.00 -1.96 0.32 119.26 126.54 1ml3 h ALA 228 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 1ml3 h ALA 228 Cb 0.67 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ml3 h ALA 228 CO 0.00 -0.41 -0.56 0.00 0.00 0.00 0.00 179.25 178.28 1ml3 h ALA 229 N 1.97 0.99 -0.07 0.00 0.00 -1.90 -3.06 119.26 117.20 1ml3 h ALA 229 Ca 0.48 -0.51 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1ml3 h ALA 229 Cb 0.77 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ml3 h ALA 229 CO -0.99 0.70 -0.88 -0.22 0.00 0.00 0.00 179.25 177.86 1ml3 h LYS 230 N 0.08 0.66 0.00 0.00 3.64 -0.72 -3.07 116.57 117.16 1ml3 h LYS 230 Ca -0.00 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1ml3 h LYS 230 Cb 1.02 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1ml3 h LYS 230 CO 0.08 1.22 0.10 0.00 -2.27 0.00 0.00 179.45 178.58 1ml3 h ALA 231 N 0.59 1.09 0.00 5.00 0.00 -0.46 -0.50 119.26 124.98 1ml3 h ALA 231 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1ml3 h ALA 231 Cb 1.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1ml3 h ALA 231 CO 0.17 -0.09 -0.41 0.28 0.00 0.00 0.00 179.25 179.20 1ml3 h VAL 232 N 0.00 1.30 0.00 0.00 2.07 -1.52 -0.76 116.25 117.34 1ml3 h VAL 232 Ca 0.00 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1ml3 h VAL 232 Cb 0.20 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1ml3 h VAL 232 CO 0.00 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1ml3 n GLY 233 N -0.34 -0.93 0.07 2.17 0.00 -0.19 0.91 105.19 106.87 1ml3 n GLY 233 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.99 1ml3 n GLY 233 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ml3 n MET 234 N -1.22 0.64 -0.03 1.61 0.00 -0.30 -3.49 117.12 114.32 1ml3 n MET 234 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 57.70 57.63 1ml3 n MET 234 Cb 0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 33.22 31.90 1ml3 n MET 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1ml3 n VAL 235 N -1.25 0.44 -3.50 1.12 0.31 -0.67 -4.75 118.33 110.03 1ml3 n VAL 235 Ca 0.04 -0.23 -0.27 0.00 -0.01 0.00 0.00 64.34 63.88 1ml3 n VAL 235 Cb 0.33 -0.81 -0.09 0.00 -0.91 0.00 0.00 33.84 32.35 1ml3 n VAL 235 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1ml3 n ILE 236 N -2.43 1.56 -0.15 2.52 5.41 0.26 -4.74 119.36 121.79 1ml3 n ILE 236 Ca -0.12 -4.87 0.10 0.00 1.00 0.00 0.00 62.75 58.87 1ml3 n ILE 236 Cb 0.68 -2.08 0.20 0.00 -0.71 0.00 0.00 39.64 37.73 1ml3 n ILE 236 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1ml3 n PRO 237 N 1.30 -0.03 0.00 0.38 -0.02 -1.23 0.20 135.00 135.60 1ml3 n PRO 237 Ca 0.26 0.65 0.02 0.00 -2.02 0.00 0.00 63.50 62.42 1ml3 n PRO 237 Cb 0.42 -1.10 0.08 0.00 -0.02 0.00 0.00 33.50 32.88 1ml3 n PRO 237 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ml3 n SER 238 N -4.28 0.00 -0.69 2.55 3.41 -1.26 -1.23 113.62 112.12 1ml3 n SER 238 Ca 0.14 0.49 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 1ml3 n SER 238 Cb 0.46 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.49 0.00 -1.62 6.66 -2.24 0.13 -4.93 114.28 110.78 1ml3 n THR 239 Ca 0.01 -0.39 -0.51 0.00 -2.27 0.00 0.00 64.05 60.89 1ml3 n THR 239 Cb 0.05 1.36 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 1ml3 n THR 239 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1ml3 n GLN 240 N 0.64 1.43 -0.85 -0.78 7.27 -0.36 -1.07 117.38 123.67 1ml3 n GLN 240 Ca 0.11 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.70 1ml3 n GLN 240 Cb 0.50 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 30.95 1ml3 n GLN 240 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ml3 n GLY 241 N 2.97 0.60 0.00 1.69 0.00 -1.26 -4.83 105.19 104.37 1ml3 n GLY 241 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.94 1.14 -4.26 1.61 5.02 -0.23 -5.01 118.16 114.49 1ml3 n LYS 242 Ca 0.00 -0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.07 1ml3 n LYS 242 Cb 0.03 -1.33 -0.10 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 -3.29 2.49 0.00 -0.35 1.02 -1.25 -0.99 118.68 116.32 1ml3 s LEU 243 Ca 0.02 -0.94 -0.25 0.00 0.02 0.00 0.00 54.13 52.97 1ml3 s LEU 243 Cb 0.12 -0.46 0.08 0.00 0.02 0.00 0.00 46.19 45.95 1ml3 s LEU 243 CO 0.70 -0.24 1.14 1.07 0.02 0.00 0.00 176.35 179.03 1ml3 n THR 244 N 0.03 0.00 -0.05 5.49 5.66 -1.20 -4.20 114.28 120.01 1ml3 n THR 244 Ca -0.12 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1ml3 n THR 244 Cb 0.59 0.53 0.00 0.00 -1.55 0.00 0.00 70.33 69.90 1ml3 n THR 244 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ml3 n GLY 245 N -0.82 -1.82 3.56 1.09 0.00 -1.26 -1.85 105.19 104.10 1ml3 n GLY 245 Ca 0.04 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 1ml3 n GLY 245 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ml3 s MET 246 N -1.98 1.99 0.10 1.61 0.23 -0.61 -3.79 119.30 116.85 1ml3 s MET 246 Ca 0.00 -2.23 0.04 0.00 -1.03 0.00 0.00 55.69 52.48 1ml3 s MET 246 Cb 0.00 -0.78 -0.04 0.00 -1.53 0.00 0.00 34.83 32.48 1ml3 s MET 246 CO 0.00 -0.46 -0.12 0.45 -2.03 0.00 0.00 175.02 172.86 1ml3 s SER 247 N -3.66 1.62 -0.25 -1.18 0.15 0.31 -2.31 113.70 108.38 1ml3 s SER 247 Ca 0.20 -0.79 -0.01 0.00 0.70 0.00 0.00 55.95 56.06 1ml3 s SER 247 Cb 0.02 -0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.39 1ml3 s SER 247 CO 0.12 -0.21 0.04 -0.36 1.20 0.00 0.00 173.24 174.03 1ml3 s PHE 248 N -2.21 1.76 -0.09 3.44 0.08 -0.12 0.44 117.98 121.29 1ml3 s PHE 248 Ca 0.05 -1.52 -0.30 0.00 0.12 0.00 0.00 56.93 55.29 1ml3 s PHE 248 Cb -0.04 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1ml3 s PHE 248 CO 0.01 -0.77 1.02 1.03 -0.10 0.00 0.00 175.22 176.42 1ml3 s ARG 249 N 1.60 4.43 0.36 0.44 1.81 0.52 -0.60 118.95 127.50 1ml3 s ARG 249 Ca 0.02 1.42 0.05 0.00 -1.72 0.00 0.00 55.73 55.50 1ml3 s ARG 249 Cb -0.18 -3.53 -0.07 0.00 -0.45 0.00 0.00 34.95 30.72 1ml3 s ARG 249 CO -0.14 -0.30 0.03 0.14 -0.68 0.00 0.00 175.30 174.35 1ml3 s VAL 250 N 1.94 1.54 -0.72 3.52 -7.23 0.05 -0.15 120.40 119.35 1ml3 s VAL 250 Ca 0.49 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.56 1ml3 s VAL 250 Cb -0.19 -2.86 -0.08 0.00 0.56 0.00 0.00 36.38 33.81 1ml3 s VAL 250 CO 0.19 -0.02 1.89 -2.65 -0.31 0.00 0.00 175.10 174.20 1ml3 n PRO 251 N -0.79 1.57 -3.87 4.82 -0.02 -1.26 -3.10 135.00 132.34 1ml3 n PRO 251 Ca -0.03 -1.40 -0.13 0.00 -2.02 0.00 0.00 63.50 59.91 1ml3 n PRO 251 Cb 0.67 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 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 4.18 0.03 -0.70 3.45 -4.23 -1.26 -5.03 115.64 112.08 1ml3 s THR 252 Ca 0.40 0.05 0.22 0.00 -1.18 0.00 0.00 61.69 61.17 1ml3 s THR 252 Cb 0.10 -0.07 0.22 0.00 1.34 0.00 0.00 72.50 74.08 1ml3 s THR 252 CO 0.02 0.04 1.67 -0.81 -0.54 0.00 0.00 174.62 175.01 1ml3 n PRO 253 N 3.44 0.14 -3.60 3.99 -0.04 -1.26 -2.15 135.00 135.52 1ml3 n PRO 253 Ca -0.17 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1ml3 n PRO 253 Cb 0.56 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 1ml3 n PRO 253 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ml3 s ASP 254 N -3.85 -0.25 0.00 3.54 2.15 -1.26 -4.77 116.67 112.23 1ml3 s ASP 254 Ca 0.07 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1ml3 s ASP 254 Cb 0.10 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 1ml3 s ASP 254 CO 0.40 -0.22 0.00 0.52 -0.17 0.00 0.00 175.17 175.70 1ml3 n VAL 255 N 0.75 -0.26 -4.24 1.11 0.31 -1.26 -4.88 118.33 109.86 1ml3 n VAL 255 Ca -0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.11 1ml3 n VAL 255 Cb 0.58 -0.17 -0.09 0.00 -0.91 0.00 0.00 33.84 33.24 1ml3 n VAL 255 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ml3 s SER 256 N -0.36 0.72 -0.03 4.52 0.01 -0.07 -3.82 113.70 114.68 1ml3 s SER 256 Ca 0.00 -1.50 -0.02 0.00 1.31 0.00 0.00 55.95 55.74 1ml3 s SER 256 Cb 0.00 0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.66 1ml3 s SER 256 CO 0.00 -0.90 0.07 0.54 0.41 0.00 0.00 173.24 173.37 1ml3 s VAL 257 N -3.91 -0.02 -0.12 3.43 0.11 -0.80 -1.89 120.40 117.20 1ml3 s VAL 257 Ca 0.39 0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 59.39 1ml3 s VAL 257 Cb 0.06 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.74 1ml3 s VAL 257 CO 0.17 0.03 0.31 -0.69 -3.33 0.00 0.00 175.10 171.59 1ml3 s VAL 258 N 0.49 5.26 -0.47 2.04 1.01 0.15 -1.72 120.40 127.16 1ml3 s VAL 258 Ca -0.04 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.57 1ml3 s VAL 258 Cb -0.05 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.81 1ml3 s VAL 258 CO -0.02 0.45 0.21 -0.62 0.00 0.00 0.00 175.10 175.12 1ml3 s ASP 259 N -0.01 4.55 -0.22 3.32 2.15 0.15 -1.23 116.67 125.38 1ml3 s ASP 259 Ca 0.18 -2.71 -0.14 0.00 0.43 0.00 0.00 52.55 50.32 1ml3 s ASP 259 Cb -0.14 -1.66 -0.04 0.00 -0.30 0.00 0.00 42.92 40.78 1ml3 s ASP 259 CO 0.06 -0.30 0.30 -0.22 -0.17 0.00 0.00 175.17 174.84 1ml3 s LEU 260 N 0.13 4.14 -0.10 -1.34 2.96 -0.36 -1.56 118.68 122.56 1ml3 s LEU 260 Ca 0.15 0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 54.40 1ml3 s LEU 260 Cb -0.23 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1ml3 s LEU 260 CO -0.03 -0.02 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.01 1ml3 s THR 261 N 1.20 3.54 0.19 3.68 2.01 0.29 -0.32 115.64 126.23 1ml3 s THR 261 Ca 0.14 -0.51 -0.23 0.00 0.31 0.00 0.00 61.69 61.40 1ml3 s THR 261 Cb -0.14 -2.48 0.06 0.00 0.01 0.00 0.00 72.50 69.95 1ml3 s THR 261 CO 0.06 0.56 0.67 0.72 -0.69 0.00 0.00 174.62 175.94 1ml3 s PHE 262 N -0.28 -0.40 -0.20 4.92 -0.71 0.01 -0.55 117.98 120.77 1ml3 s PHE 262 Ca 0.04 0.11 -0.04 0.00 -1.04 0.00 0.00 56.93 56.00 1ml3 s PHE 262 Cb -0.13 0.61 -0.02 0.00 -1.21 0.00 0.00 43.02 42.28 1ml3 s PHE 262 CO 0.03 -0.95 -0.04 0.95 -1.34 0.00 0.00 175.22 173.86 1ml3 s THR 263 N -3.74 3.57 0.96 -4.49 -4.23 -0.73 -0.10 115.64 106.88 1ml3 s THR 263 Ca 0.05 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.00 1ml3 s THR 263 Cb -0.03 -2.60 0.17 0.00 1.34 0.00 0.00 72.50 71.38 1ml3 s THR 263 CO -0.06 0.44 1.09 0.00 -0.54 0.00 0.00 174.62 175.55 1ml3 s ALA 264 N 1.10 1.10 -1.41 3.99 0.00 0.44 -1.84 121.76 125.14 1ml3 s ALA 264 Ca 0.02 0.01 0.28 0.00 0.00 0.00 0.00 51.96 52.26 1ml3 s ALA 264 Cb -0.15 -3.24 1.01 0.00 0.00 0.00 0.00 23.12 20.74 1ml3 s ALA 264 CO 0.00 -2.74 1.74 0.00 0.00 0.00 0.00 175.76 174.76 1ml3 n ALA 265 N -4.16 2.90 -3.26 0.00 0.00 -0.14 -4.48 120.51 111.36 1ml3 n ALA 265 Ca 0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.15 1ml3 n ALA 265 Cb 0.55 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.68 1.53 0.13 0.00 1.70 -1.17 -5.00 118.95 113.46 1ml3 s ARG 266 Ca 0.22 -1.15 -0.31 0.00 -0.47 0.00 0.00 55.73 54.02 1ml3 s ARG 266 Cb 0.19 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.98 1ml3 s ARG 266 CO 0.54 -0.64 1.45 -0.51 -1.08 0.00 0.00 175.30 175.06 1ml3 s ASP 267 N -2.98 6.74 0.00 -2.89 1.11 -1.26 -4.74 116.67 112.66 1ml3 s ASP 267 Ca 0.18 2.42 0.00 0.00 0.18 0.00 0.00 52.55 55.33 1ml3 s ASP 267 Cb -0.01 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1ml3 s ASP 267 CO 0.06 -0.72 0.00 0.35 1.18 0.00 0.00 175.17 176.05 1ml3 n THR 268 N 3.99 0.00 -3.61 -1.27 -2.24 -0.77 -5.05 114.28 105.32 1ml3 n THR 268 Ca 0.12 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1ml3 n THR 268 Cb 0.41 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 1ml3 n THR 268 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ml3 s SER 269 N 1.40 -0.31 0.44 3.42 1.04 -1.26 -4.20 113.70 114.22 1ml3 s SER 269 Ca 0.00 -0.28 0.23 0.00 0.48 0.00 0.00 55.95 56.38 1ml3 s SER 269 Cb 0.00 0.52 0.98 0.00 0.10 0.00 0.00 66.02 67.63 1ml3 s SER 269 CO 0.00 -0.92 1.86 -0.29 0.98 0.00 0.00 173.24 174.87 1ml3 h ILE 270 N 2.25 0.67 -0.35 -1.02 6.09 -1.93 -2.39 117.51 120.83 1ml3 h ILE 270 Ca -0.33 -1.08 -0.10 0.00 -1.37 0.00 0.00 64.86 61.98 1ml3 h ILE 270 Cb 1.27 1.70 -0.01 0.00 0.47 0.00 0.00 36.82 40.25 1ml3 h ILE 270 CO 0.43 0.24 -0.15 1.56 -3.07 0.00 0.00 178.15 177.15 1ml3 h GLN 271 N 0.00 0.72 -0.61 2.19 7.50 -1.97 0.13 115.11 123.06 1ml3 h GLN 271 Ca -0.00 -0.31 -0.08 0.00 0.50 0.00 0.00 58.65 58.76 1ml3 h GLN 271 Cb 0.68 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.16 1ml3 h GLN 271 CO 0.03 0.91 0.09 1.49 -1.50 0.00 0.00 178.83 179.85 1ml3 h GLU 272 N 0.50 1.02 -0.49 1.46 4.81 -1.90 -1.62 114.58 118.36 1ml3 h GLU 272 Ca 0.08 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1ml3 h GLU 272 Cb 0.69 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1ml3 h GLU 272 CO 0.05 0.96 0.15 0.82 -0.73 0.00 0.00 179.01 180.26 1ml3 h ILE 273 N 0.93 1.23 -0.37 2.32 2.04 -1.31 -1.94 117.51 120.41 1ml3 h ILE 273 Ca 0.18 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1ml3 h ILE 273 Cb 0.45 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1ml3 h ILE 273 CO 0.01 0.28 0.12 -0.78 0.00 0.00 0.00 178.15 177.78 1ml3 h ASP 274 N 0.67 0.12 0.08 1.72 3.58 -0.47 -2.05 116.42 120.06 1ml3 h ASP 274 Ca 0.16 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1ml3 h ASP 274 Cb 0.28 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1ml3 h ASP 274 CO -0.00 0.10 -0.07 0.00 -2.88 0.00 0.00 179.24 176.39 1ml3 h ALA 275 N 1.24 -0.15 -0.33 -0.78 0.00 -1.10 -2.30 119.26 115.84 1ml3 h ALA 275 Ca 0.17 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1ml3 h ALA 275 Cb 0.15 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1ml3 h ALA 275 CO -0.18 -0.59 -0.01 0.00 0.00 0.00 0.00 179.25 178.47 1ml3 h ALA 276 N 0.74 0.29 -0.60 0.00 0.00 -1.06 0.84 119.26 119.48 1ml3 h ALA 276 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ml3 h ALA 276 Cb 0.16 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ml3 h ALA 276 CO -0.02 -0.41 0.35 -0.07 0.00 0.00 0.00 179.25 179.10 1ml3 h LEU 277 N 0.08 0.73 -0.53 0.00 3.38 -1.28 0.29 115.31 117.97 1ml3 h LEU 277 Ca 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ml3 h LEU 277 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1ml3 h LEU 277 CO -0.28 0.59 0.29 0.11 0.09 0.00 0.00 178.44 179.24 1ml3 h LYS 278 N 0.81 0.75 0.00 1.13 1.57 -1.05 -0.60 116.57 119.18 1ml3 h LYS 278 Ca 0.21 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ml3 h LYS 278 Cb 0.01 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1ml3 h LYS 278 CO -0.04 0.59 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.34 1ml3 h ARG 279 N 0.72 -0.00 -0.71 3.15 2.43 -0.12 -2.17 114.38 117.68 1ml3 h ARG 279 Ca 0.19 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1ml3 h ARG 279 Cb 0.06 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1ml3 h ARG 279 CO -0.03 0.10 0.44 0.00 -1.51 0.00 0.00 179.97 178.97 1ml3 h ALA 280 N 0.90 1.44 -0.88 2.80 0.00 -0.33 -1.77 119.26 121.42 1ml3 h ALA 280 Ca -0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ml3 h ALA 280 Cb 0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1ml3 h ALA 280 CO 0.00 0.49 0.55 1.03 0.00 0.00 0.00 179.25 181.32 1ml3 h SER 281 N 0.97 0.86 0.49 0.00 0.87 -0.71 0.79 113.55 116.81 1ml3 h SER 281 Ca 0.26 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1ml3 h SER 281 Cb -0.06 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1ml3 h SER 281 CO -0.05 0.54 -0.15 0.29 -0.53 0.00 0.00 176.83 176.93 1ml3 n LYS 282 N -4.61 0.47 0.00 2.24 5.02 -0.74 -2.82 118.16 117.72 1ml3 n LYS 282 Ca 0.13 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1ml3 n LYS 282 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.12 0.00 0.40 -0.18 -2.24 -0.48 -4.83 114.28 105.83 1ml3 n THR 283 Ca 0.12 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 1ml3 n THR 283 Cb 0.30 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 68.97 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 0.59 0.59 4.78 4.11 -1.17 -2.33 117.16 123.72 1ml3 n TYR 284 Ca 0.00 0.24 0.08 0.00 -0.00 0.00 0.00 57.90 58.21 1ml3 n TYR 284 Cb 0.00 -0.88 0.08 0.00 -0.00 0.00 0.00 39.34 38.53 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 -2.04 1.28 -1.60 -3.48 2.81 0.15 -5.00 117.12 109.24 1ml3 n MET 285 Ca 0.02 -1.49 -0.45 0.00 -1.81 0.00 0.00 57.70 53.97 1ml3 n MET 285 Cb 0.20 -1.31 -0.02 0.00 -0.71 0.00 0.00 33.22 31.38 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 0.88 1.43 0.00 0.03 4.81 -0.98 0.10 118.16 124.43 1ml3 n LYS 286 Ca 0.10 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1ml3 n LYS 286 Cb 0.40 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.51 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 1.44 2.64 0.17 3.14 0.00 -1.26 -4.67 105.19 106.65 1ml3 n GLY 287 Ca 0.11 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.29 -4.79 -0.61 2.08 0.04 -4.33 119.36 113.05 1ml3 n ILE 288 Ca 0.00 -0.43 -0.33 0.00 0.56 0.00 0.00 62.75 62.55 1ml3 n ILE 288 Cb 0.00 -1.50 -0.16 0.00 -0.75 0.00 0.00 39.64 37.23 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 -6.70 2.38 0.00 1.39 2.96 0.12 -0.64 118.68 118.19 1ml3 s LEU 289 Ca -0.31 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.13 1ml3 s LEU 289 Cb 0.10 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 1ml3 s LEU 289 CO 0.48 0.12 0.06 0.61 -1.32 0.00 0.00 176.35 176.30 1ml3 n GLY 290 N 3.79 3.62 3.40 7.98 0.00 0.19 -4.37 105.19 119.81 1ml3 n GLY 290 Ca -0.19 -2.15 -0.10 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.44 -0.24 0.09 1.61 1.13 -1.26 -0.43 117.35 115.80 1ml3 s TYR 291 Ca 0.09 -0.06 0.04 0.00 -1.41 0.00 0.00 57.07 55.72 1ml3 s TYR 291 Cb 0.00 0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 41.19 1ml3 s TYR 291 CO 0.06 -0.80 -0.11 -0.08 -2.51 0.00 0.00 175.55 172.11 1ml3 s THR 292 N -3.82 0.95 -0.02 -3.49 -1.32 0.20 -4.88 115.64 103.26 1ml3 s THR 292 Ca 0.05 -1.55 0.21 0.00 -1.21 0.00 0.00 61.69 59.19 1ml3 s THR 292 Cb 0.00 -1.26 0.36 0.00 -1.51 0.00 0.00 72.50 70.09 1ml3 s THR 292 CO -0.09 -0.49 1.15 -0.90 -2.21 0.00 0.00 174.62 172.08 1ml3 n ASP 293 N 0.74 0.93 -4.69 8.08 3.85 -1.26 -1.37 116.55 122.83 1ml3 n ASP 293 Ca -0.17 -2.18 -0.24 0.00 -0.71 0.00 0.00 54.79 51.49 1ml3 n ASP 293 Cb 0.57 -0.31 -0.07 0.00 -1.35 0.00 0.00 41.12 39.96 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 -0.32 2.24 -1.47 0.11 2.02 -1.26 -4.79 118.70 115.22 1ml3 s GLU 294 Ca 0.29 -1.65 -0.14 0.00 0.02 0.00 0.00 54.97 53.49 1ml3 s GLU 294 Cb 0.33 -2.06 0.03 0.00 0.10 0.00 0.00 34.13 32.53 1ml3 s GLU 294 CO -0.13 0.11 2.27 0.39 0.02 0.00 0.00 175.26 177.92 1ml3 n GLU 295 N -1.07 2.91 -3.25 1.61 -0.58 -1.26 -4.86 120.64 114.15 1ml3 n GLU 295 Ca -0.03 -2.58 -0.28 0.00 -0.42 0.00 0.00 57.16 53.84 1ml3 n GLU 295 Cb 0.62 -3.26 -0.03 0.00 -0.57 0.00 0.00 31.44 28.20 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 2.06 4.00 0.37 -4.62 1.43 -1.26 -5.11 118.68 115.56 1ml3 s LEU 296 Ca 0.48 0.76 0.06 0.00 -1.03 0.00 0.00 54.13 54.40 1ml3 s LEU 296 Cb 0.14 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 1ml3 s LEU 296 CO -0.09 -0.25 0.03 0.68 0.23 0.00 0.00 176.35 176.95 1ml3 s VAL 297 N -2.17 1.65 0.28 -1.59 -7.23 -1.26 -5.03 120.40 105.06 1ml3 s VAL 297 Ca 0.45 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1ml3 s VAL 297 Cb -0.11 -2.89 0.30 0.00 0.56 0.00 0.00 36.38 34.24 1ml3 s VAL 297 CO 0.31 -0.01 1.66 0.77 -0.31 0.00 0.00 175.10 177.52 1ml3 h SER 298 N 1.93 0.09 -0.01 4.85 4.64 -1.97 0.77 113.55 123.85 1ml3 h SER 298 Ca -0.42 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1ml3 h SER 298 Cb 1.24 0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1ml3 h SER 298 CO 0.76 -0.11 0.01 0.00 -0.87 0.00 0.00 176.83 176.62 1ml3 h ALA 299 N 1.75 1.51 0.00 5.18 0.00 -1.97 -0.91 119.26 124.82 1ml3 h ALA 299 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1ml3 h ALA 299 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ml3 h ALA 299 CO -0.61 -0.01 0.00 -0.25 0.00 0.00 0.00 179.25 178.38 1ml3 n ASP 300 N -3.81 0.12 -0.63 0.00 8.00 0.26 -2.47 116.55 118.02 1ml3 n ASP 300 Ca -0.03 0.52 0.09 0.00 0.71 0.00 0.00 54.79 56.09 1ml3 n ASP 300 Cb 0.09 -0.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.69 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 -1.63 0.00 -1.69 1.24 3.01 -0.35 -4.92 117.46 113.12 1ml3 n PHE 301 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.08 1ml3 n PHE 301 Cb 0.22 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.66 1ml3 n PHE 301 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1ml3 n ILE 302 N 0.62 0.31 -1.02 4.37 5.41 -1.03 -1.56 119.36 126.46 1ml3 n ILE 302 Ca 0.10 -0.06 -0.01 0.00 1.00 0.00 0.00 62.75 63.78 1ml3 n ILE 302 Cb 0.44 -2.09 -0.00 0.00 -0.71 0.00 0.00 39.64 37.28 1ml3 n ILE 302 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1ml3 n ASN 303 N 5.37 -3.14 -4.72 4.38 4.13 -1.26 -5.02 115.26 114.99 1ml3 n ASN 303 Ca 0.18 0.02 -0.40 0.00 1.68 0.00 0.00 54.58 56.06 1ml3 n ASN 303 Cb 0.37 -0.70 -0.05 0.00 -1.54 0.00 0.00 39.78 37.86 1ml3 n ASN 303 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ml3 s ASP 304 N -2.65 7.09 0.00 6.41 -1.08 -0.60 -4.96 116.67 120.89 1ml3 s ASP 304 Ca 0.00 1.31 0.23 0.00 -0.52 0.00 0.00 52.55 53.58 1ml3 s ASP 304 Cb 0.00 -2.44 0.65 0.00 -1.46 0.00 0.00 42.92 39.67 1ml3 s ASP 304 CO 0.00 -0.09 1.51 -0.46 0.52 0.00 0.00 175.17 176.65 1ml3 n ASN 305 N 3.50 2.24 -4.81 -0.34 2.04 -1.26 -3.61 115.26 113.02 1ml3 n ASN 305 Ca -0.01 -1.77 -0.30 0.00 -0.44 0.00 0.00 54.58 52.06 1ml3 n ASN 305 Cb 0.51 -0.10 0.08 0.00 -2.53 0.00 0.00 39.78 37.74 1ml3 n ASN 305 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1ml3 s ARG 306 N -1.80 2.25 0.23 -3.83 3.00 -1.26 -4.55 118.95 112.99 1ml3 s ARG 306 Ca 0.34 0.69 0.24 0.00 0.00 0.00 0.00 55.73 56.99 1ml3 s ARG 306 Cb 0.20 -1.93 0.27 0.00 0.00 0.00 0.00 34.95 33.49 1ml3 s ARG 306 CO 0.30 -1.52 1.34 0.77 0.00 0.00 0.00 175.30 176.19 1ml3 h SER 307 N -1.01 0.00 -2.59 0.23 0.02 -1.09 -3.40 113.55 105.72 1ml3 h SER 307 Ca -0.46 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 60.47 1ml3 h SER 307 Cb 1.26 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.59 1ml3 h SER 307 CO 0.59 0.03 -0.00 -0.55 -1.14 0.00 0.00 176.83 175.76 1ml3 s SER 308 N -5.11 -0.98 -0.41 3.07 0.15 -0.94 -3.46 113.70 106.02 1ml3 s SER 308 Ca 0.04 1.48 -0.01 0.00 0.70 0.00 0.00 55.95 58.16 1ml3 s SER 308 Cb 0.10 1.69 0.11 0.00 -1.71 0.00 0.00 66.02 66.21 1ml3 s SER 308 CO 0.72 -0.22 0.19 -0.63 1.20 0.00 0.00 173.24 174.50 1ml3 s ILE 309 N 2.07 3.10 0.11 6.45 1.09 0.66 -0.63 121.20 134.05 1ml3 s ILE 309 Ca -0.08 -2.20 -0.32 0.00 -1.10 0.00 0.00 60.65 56.95 1ml3 s ILE 309 Cb -0.07 -3.15 -0.12 0.00 -1.06 0.00 0.00 42.46 38.06 1ml3 s ILE 309 CO -0.19 -0.69 1.78 0.00 -0.10 0.00 0.00 174.94 175.74 1ml3 n TYR 310 N 4.43 2.54 -3.16 3.97 9.36 0.42 -1.13 117.16 133.59 1ml3 n TYR 310 Ca -0.00 -0.03 -0.46 0.00 3.32 0.00 0.00 57.90 60.73 1ml3 n TYR 310 Cb 0.41 -2.68 -0.03 0.00 -0.63 0.00 0.00 39.34 36.41 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 2.38 6.63 0.10 2.98 -1.08 -0.26 -0.63 116.67 126.79 1ml3 s ASP 311 Ca 0.82 -2.28 -0.29 0.00 -0.52 0.00 0.00 52.55 50.27 1ml3 s ASP 311 Cb -0.55 -2.29 -0.13 0.00 -1.46 0.00 0.00 42.92 38.50 1ml3 s ASP 311 CO 0.39 -0.82 1.63 -1.28 0.52 0.00 0.00 175.17 175.61 1ml3 h SER 312 N 8.36 -0.77 -0.43 -0.34 0.87 -1.50 -2.12 113.55 117.62 1ml3 h SER 312 Ca 0.06 0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1ml3 h SER 312 Cb 1.04 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 63.20 1ml3 h SER 312 CO 0.93 -0.42 0.08 0.11 -0.53 0.00 0.00 176.83 177.00 1ml3 h LYS 313 N -0.62 0.21 -0.83 2.24 1.79 -1.87 0.12 116.57 117.60 1ml3 h LYS 313 Ca -0.02 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1ml3 h LYS 313 Cb 0.56 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.13 1ml3 h LYS 313 CO -0.04 0.14 0.41 0.00 -1.08 0.00 0.00 179.45 178.87 1ml3 h ALA 314 N 1.33 1.07 0.14 3.86 0.00 -1.91 -1.97 119.26 121.77 1ml3 h ALA 314 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ml3 h ALA 314 Cb 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ml3 h ALA 314 CO -0.28 0.62 -0.07 1.15 0.00 0.00 0.00 179.25 180.67 1ml3 h THR 315 N 1.17 1.02 -0.47 0.00 2.02 -0.65 -3.07 112.91 112.93 1ml3 h THR 315 Ca 0.29 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1ml3 h THR 315 Cb 0.10 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1ml3 h THR 315 CO -0.04 0.17 0.21 -0.07 0.37 0.00 0.00 175.52 176.16 1ml3 h LEU 316 N -0.55 0.60 -0.35 2.58 3.38 -0.75 -2.81 115.31 117.41 1ml3 h LEU 316 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ml3 h LEU 316 Cb 0.43 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ml3 h LEU 316 CO 0.03 0.52 -0.06 0.00 0.09 0.00 0.00 178.44 179.03 1ml3 n GLN 317 N -4.38 1.00 -2.08 1.13 6.02 -0.75 -4.16 117.38 114.16 1ml3 n GLN 317 Ca 0.04 -0.35 -0.09 0.00 -0.01 0.00 0.00 57.00 56.59 1ml3 n GLN 317 Cb 0.13 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 29.96 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 -0.69 2.88 -4.41 1.08 3.02 -1.06 -5.06 115.26 111.02 1ml3 n ASN 318 Ca 0.18 -2.95 -0.22 0.00 -0.03 0.00 0.00 54.58 51.55 1ml3 n ASN 318 Cb 0.25 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 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 -3.46 3.17 0.03 6.41 0.01 -1.24 -4.85 114.94 115.01 1ml3 s ASN 319 Ca 0.39 -0.99 -0.30 0.00 -0.71 0.00 0.00 52.86 51.24 1ml3 s ASN 319 Cb 0.37 -0.23 -0.07 0.00 0.41 0.00 0.00 41.25 41.73 1ml3 s ASN 319 CO -0.03 -0.02 1.52 -0.76 -1.51 0.00 0.00 177.10 176.30 1ml3 s LEU 320 N -3.28 4.34 0.37 0.60 1.43 -1.26 -4.96 118.68 115.91 1ml3 s LEU 320 Ca 0.25 2.29 -0.28 0.00 -1.03 0.00 0.00 54.13 55.36 1ml3 s LEU 320 Cb -0.04 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 1ml3 s LEU 320 CO 0.11 -0.80 1.36 -2.16 0.23 0.00 0.00 176.35 175.10 1ml3 s PRO 321 N 2.50 4.15 0.00 1.29 0.04 -1.26 -2.28 135.00 139.44 1ml3 s PRO 321 Ca 0.68 2.32 0.00 0.00 0.04 0.00 0.00 61.00 64.04 1ml3 s PRO 321 Cb -0.35 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1ml3 s PRO 321 CO 0.29 -0.40 0.00 1.63 0.04 0.00 0.00 177.00 178.56 1ml3 n LYS 322 N 0.48 0.00 -1.36 4.56 5.02 -1.26 -4.95 118.16 120.64 1ml3 n LYS 322 Ca 0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.95 1ml3 n LYS 322 Cb 0.41 -3.21 0.09 0.00 -0.02 0.00 0.00 35.03 32.30 1ml3 n LYS 322 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ml3 n GLU 323 N -2.00 0.52 0.00 1.97 4.07 -0.97 -4.93 120.64 119.30 1ml3 n GLU 323 Ca 0.00 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1ml3 n GLU 323 Cb 0.00 -2.21 0.00 0.00 -0.06 0.00 0.00 31.44 29.17 1ml3 n GLU 323 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ml3 n ARG 324 N -1.80 0.24 0.00 5.31 1.74 -1.26 -4.47 116.66 116.41 1ml3 n ARG 324 Ca 0.13 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 1ml3 n ARG 324 Cb 0.49 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 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 -0.05 0.00 -2.77 5.56 5.12 -1.26 -1.85 116.66 121.41 1ml3 n ARG 325 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 1ml3 n ARG 325 Cb 0.35 -0.02 -0.04 0.00 -1.16 0.00 0.00 32.46 31.59 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 -1.97 2.88 0.12 -1.55 5.36 -1.26 -0.42 117.98 121.15 1ml3 s PHE 326 Ca 0.00 0.42 0.04 0.00 -0.96 0.00 0.00 56.93 56.43 1ml3 s PHE 326 Cb 0.00 -4.10 -0.04 0.00 -0.34 0.00 0.00 43.02 38.54 1ml3 s PHE 326 CO 0.00 -1.18 -0.10 -0.06 -1.46 0.00 0.00 175.22 172.43 1ml3 s PHE 327 N 3.97 1.15 -0.05 10.12 0.08 0.85 -4.72 117.98 129.38 1ml3 s PHE 327 Ca 0.39 -0.74 0.06 0.00 0.12 0.00 0.00 56.93 56.75 1ml3 s PHE 327 Cb -0.09 -0.61 -0.01 0.00 -0.57 0.00 0.00 43.02 41.74 1ml3 s PHE 327 CO 0.27 0.02 -0.22 0.21 -0.10 0.00 0.00 175.22 175.40 1ml3 s LYS 328 N -3.41 2.27 -0.12 0.44 2.20 -1.26 -0.81 119.74 119.06 1ml3 s LYS 328 Ca 0.12 -0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1ml3 s LYS 328 Cb 0.01 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.41 1ml3 s LYS 328 CO -0.00 0.34 -0.05 0.42 -0.36 0.00 0.00 175.35 175.70 1ml3 s ILE 329 N -0.11 0.88 -0.22 5.43 1.01 0.56 -4.87 121.20 123.88 1ml3 s ILE 329 Ca -0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 1ml3 s ILE 329 Cb -0.13 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 1ml3 s ILE 329 CO 0.03 0.29 0.17 -0.69 0.00 0.00 0.00 174.94 174.74 1ml3 s VAL 330 N 1.76 5.36 -0.08 2.92 1.01 -1.26 -1.22 120.40 128.89 1ml3 s VAL 330 Ca 0.04 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1ml3 s VAL 330 Cb -0.13 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1ml3 s VAL 330 CO -0.07 0.37 0.18 -0.55 0.00 0.00 0.00 175.10 175.03 1ml3 s SER 331 N 0.79 -0.18 0.59 3.32 0.15 -0.37 -1.10 113.70 116.90 1ml3 s SER 331 Ca 0.09 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.13 1ml3 s SER 331 Cb -0.13 0.32 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 1ml3 s SER 331 CO 0.02 -0.11 0.82 0.26 1.20 0.00 0.00 173.24 175.43 1ml3 s TRP 332 N 0.71 2.59 -0.27 3.44 0.52 -0.28 0.31 118.94 125.96 1ml3 s TRP 332 Ca -0.05 -0.07 -0.26 0.00 0.02 0.00 0.00 56.10 55.74 1ml3 s TRP 332 Cb -0.07 -2.79 0.16 0.00 -1.15 0.00 0.00 33.47 29.62 1ml3 s TRP 332 CO -0.04 -1.05 1.23 1.52 0.02 0.00 0.00 176.95 178.63 1ml3 s TYR 333 N -2.84 -0.25 -0.82 -1.98 1.13 -0.79 -0.25 117.35 111.55 1ml3 s TYR 333 Ca 0.59 0.57 -0.21 0.00 -1.41 0.00 0.00 57.07 56.61 1ml3 s TYR 333 Cb -0.09 0.44 0.09 0.00 -1.10 0.00 0.00 41.96 41.30 1ml3 s TYR 333 CO 0.40 -0.14 1.10 0.34 -2.51 0.00 0.00 175.55 174.74 1ml3 s ASP 334 N -0.15 6.42 0.59 -0.18 -1.08 -1.26 -0.89 116.67 120.11 1ml3 s ASP 334 Ca 0.05 -1.51 0.30 0.00 -0.52 0.00 0.00 52.55 50.88 1ml3 s ASP 334 Cb -0.04 -2.43 1.28 0.00 -1.46 0.00 0.00 42.92 40.27 1ml3 s ASP 334 CO -0.09 -1.29 1.62 -0.55 0.52 0.00 0.00 175.17 175.38 1ml3 h ASN 335 N 9.27 0.00 0.00 -0.34 -1.07 -1.90 -1.67 115.58 119.87 1ml3 h ASN 335 Ca -0.03 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.14 1ml3 h ASN 335 Cb 1.04 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.26 1ml3 h ASN 335 CO 1.18 0.00 -1.33 -0.62 0.07 0.00 0.00 177.43 176.72 1ml3 n GLU 336 N -3.57 0.54 0.06 4.14 1.02 -1.26 -4.32 120.64 117.25 1ml3 n GLU 336 Ca 0.18 0.44 -0.13 0.00 -0.02 0.00 0.00 57.16 57.64 1ml3 n GLU 336 Cb 1.17 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.87 1ml3 n GLU 336 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1ml3 h TRP 337 N -1.00 -0.14 0.44 -0.32 2.91 -1.80 -2.07 115.95 113.97 1ml3 h TRP 337 Ca -0.30 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.70 1ml3 h TRP 337 Cb 1.14 0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1ml3 h TRP 337 CO -0.10 0.17 -0.24 0.78 -1.03 0.00 0.00 178.44 178.02 1ml3 h GLY 338 N -0.45 -0.66 1.04 2.65 0.00 -1.37 -2.43 103.07 101.84 1ml3 h GLY 338 Ca -0.02 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.64 1ml3 h GLY 338 CO 0.03 -0.25 0.49 -1.82 0.00 0.00 0.00 176.54 174.99 1ml3 h TYR 339 N -0.64 0.81 -0.42 5.60 5.03 -1.70 -1.74 116.97 123.91 1ml3 h TYR 339 Ca -0.05 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.21 1ml3 h TYR 339 Cb 0.51 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.50 1ml3 h TYR 339 CO -0.07 0.43 -0.03 0.77 -1.32 0.00 0.00 178.16 177.94 1ml3 h SER 340 N 0.80 0.66 0.58 -2.11 0.02 -1.15 -1.55 113.55 110.81 1ml3 h SER 340 Ca 0.32 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 1ml3 h SER 340 Cb 0.22 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1ml3 h SER 340 CO -0.11 0.75 -0.60 0.45 -1.14 0.00 0.00 176.83 176.18 1ml3 h HIS 341 N 0.65 0.03 -0.59 3.45 3.86 -0.88 -2.97 115.15 118.69 1ml3 h HIS 341 Ca 0.13 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 1ml3 h HIS 341 Cb 0.45 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1ml3 h HIS 341 CO 0.02 0.62 -0.02 0.00 0.86 0.00 0.00 177.93 179.41 1ml3 h ARG 342 N 0.02 1.06 -0.33 2.45 2.47 -0.56 -1.18 114.38 118.31 1ml3 h ARG 342 Ca -0.01 -0.34 0.01 0.00 -1.26 0.00 0.00 59.98 58.39 1ml3 h ARG 342 Cb 1.07 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 1ml3 h ARG 342 CO 0.08 1.04 0.19 0.28 0.56 0.00 0.00 179.97 182.12 1ml3 h VAL 343 N 0.96 1.04 -0.40 2.04 2.07 -1.16 0.80 116.25 121.59 1ml3 h VAL 343 Ca 0.17 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1ml3 h VAL 343 Cb 0.58 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1ml3 h VAL 343 CO 0.03 0.07 0.23 0.58 0.02 0.00 0.00 177.57 178.51 1ml3 h VAL 344 N 0.39 1.14 -0.88 2.57 2.07 -1.38 -1.54 116.25 118.61 1ml3 h VAL 344 Ca 0.13 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1ml3 h VAL 344 Cb -0.00 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1ml3 h VAL 344 CO -0.06 0.14 0.58 0.44 0.02 0.00 0.00 177.57 178.69 1ml3 h ASP 345 N 0.52 0.95 -0.22 0.57 3.32 -0.67 -1.39 116.42 119.50 1ml3 h ASP 345 Ca 0.14 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1ml3 h ASP 345 Cb 0.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1ml3 h ASP 345 CO -0.03 0.65 0.04 0.25 -1.72 0.00 0.00 179.24 178.44 1ml3 h LEU 346 N 1.10 0.34 -0.24 1.55 5.85 -0.29 -1.55 115.31 122.08 1ml3 h LEU 346 Ca 0.35 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1ml3 h LEU 346 Cb 0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1ml3 h LEU 346 CO -0.10 0.50 0.14 0.58 -0.34 0.00 0.00 178.44 179.22 1ml3 h VAL 347 N 0.16 1.04 -0.88 1.05 2.07 -0.85 -0.89 116.25 117.95 1ml3 h VAL 347 Ca 0.07 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1ml3 h VAL 347 Cb 0.30 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1ml3 h VAL 347 CO 0.00 0.05 0.58 0.03 0.02 0.00 0.00 177.57 178.26 1ml3 h ARG 348 N 0.30 1.09 -0.43 1.57 3.08 -1.19 0.65 114.38 119.44 1ml3 h ARG 348 Ca 0.09 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1ml3 h ARG 348 Cb -0.01 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1ml3 h ARG 348 CO -0.04 0.72 -0.18 1.25 -1.07 0.00 0.00 179.97 180.66 1ml3 h HIS 349 N 1.12 0.94 -0.28 3.04 2.76 -0.78 -2.49 115.15 119.46 1ml3 h HIS 349 Ca 0.35 -0.20 -0.14 0.00 -2.20 0.00 0.00 60.37 58.17 1ml3 h HIS 349 Cb -0.00 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1ml3 h HIS 349 CO -0.00 0.94 -0.41 0.52 -1.30 0.00 0.00 177.93 177.68 1ml3 h MET 350 N 0.74 0.68 -0.19 5.26 2.86 -0.40 -2.33 114.93 121.53 1ml3 h MET 350 Ca 0.11 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 1ml3 h MET 350 Cb 0.69 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1ml3 h MET 350 CO 0.05 0.96 -0.27 0.00 1.06 0.00 0.00 176.91 178.71 1ml3 h ALA 351 N 0.99 1.18 -0.00 6.32 0.00 -0.71 0.13 119.26 127.17 1ml3 h ALA 351 Ca 0.04 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1ml3 h ALA 351 Cb 0.94 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ml3 h ALA 351 CO 0.09 0.53 -0.65 0.66 0.00 0.00 0.00 179.25 179.87 1ml3 h SER 352 N 0.32 0.58 -0.83 0.00 4.64 -1.39 -2.77 113.55 114.09 1ml3 h SER 352 Ca 0.05 -0.76 -0.00 0.00 -0.47 0.00 0.00 61.79 60.61 1ml3 h SER 352 Cb 0.65 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 1ml3 h SER 352 CO 0.05 1.26 0.50 0.11 -0.87 0.00 0.00 176.83 177.88 1ml3 h LYS 353 N -0.04 1.13 -0.93 4.77 1.79 -1.28 -1.66 116.57 120.35 1ml3 h LYS 353 Ca -0.08 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1ml3 h LYS 353 Cb 1.36 -0.24 -0.04 0.00 -1.58 0.00 0.00 32.23 31.72 1ml3 h LYS 353 CO 0.13 0.80 0.56 -0.44 -1.08 0.00 0.00 179.45 179.41 1ml3 h ASP 354 N 1.14 1.12 -0.40 0.86 3.32 -0.76 -0.87 116.42 120.84 1ml3 h ASP 354 Ca 0.30 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 1ml3 h ASP 354 Cb -0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1ml3 h ASP 354 CO -0.06 0.87 -0.04 0.03 -1.72 0.00 0.00 179.24 178.32 1ml3 h ARG 355 N 1.29 0.73 -0.52 3.56 2.47 -1.15 -2.54 114.38 118.21 1ml3 h ARG 355 Ca 0.33 -0.26 0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1ml3 h ARG 355 Cb -0.05 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.17 1ml3 h ARG 355 CO -0.06 0.84 0.28 0.77 0.56 0.00 0.00 179.97 182.36 1ml3 h SER 356 N 0.55 0.42 0.45 7.04 0.02 -0.89 -2.30 113.55 118.85 1ml3 h SER 356 Ca 0.11 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1ml3 h SER 356 Cb 0.54 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1ml3 h SER 356 CO 0.03 0.29 -0.25 0.00 -1.14 0.00 0.00 176.83 175.75 1ml3 h ALA 357 N 1.27 1.30 -0.32 3.77 0.00 -1.08 -2.56 119.26 121.64 1ml3 h ALA 357 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ml3 h ALA 357 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ml3 h ALA 357 CO -0.14 0.32 0.00 0.54 0.00 0.00 0.00 179.25 179.96 1ml3 n ARG 358 N -3.83 1.84 0.00 0.00 1.74 -0.88 -5.10 116.66 110.43 1ml3 n ARG 358 Ca -0.02 -1.30 0.13 0.00 -0.77 0.00 0.00 57.85 55.89 1ml3 n ARG 358 Cb 0.35 -1.33 0.75 0.00 -1.02 0.00 0.00 32.46 31.21 1ml3 n ARG 358 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39