#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2o s ARG 2 N 0.00 1.73 0.17 3.17 0.52 -1.26 -5.06 118.95 118.21 1s2o s ARG 2 Ca 0.00 -2.01 0.00 0.00 -0.52 0.00 0.00 55.73 53.20 1s2o s ARG 2 Cb 0.00 -0.40 0.01 0.00 0.52 0.00 0.00 34.95 35.08 1s2o s ARG 2 CO 0.00 -0.42 1.39 1.96 0.02 0.00 0.00 175.30 178.25 1s2o h GLN 3 N 2.04 0.28 -4.19 3.54 4.20 -1.71 -3.47 115.11 115.81 1s2o h GLN 3 Ca -0.35 -0.28 -0.26 0.00 0.06 0.00 0.00 58.65 57.82 1s2o h GLN 3 Cb 1.26 0.07 -0.25 0.00 0.30 0.00 0.00 27.48 28.86 1s2o h GLN 3 CO 0.56 0.97 -0.73 -1.17 -0.67 0.00 0.00 178.83 177.79 1s2o s LEU 4 N -7.64 2.11 -0.32 1.46 2.96 -1.14 -4.74 118.68 111.38 1s2o s LEU 4 Ca -0.04 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1s2o s LEU 4 Cb 0.10 -0.12 0.08 0.00 0.50 0.00 0.00 46.19 46.76 1s2o s LEU 4 CO 0.84 -0.08 0.02 -0.22 -1.32 0.00 0.00 176.35 175.58 1s2o s LEU 5 N -0.71 4.33 -0.31 -0.68 2.96 0.23 -0.12 118.68 124.39 1s2o s LEU 5 Ca -0.05 -1.78 -0.11 0.00 -0.22 0.00 0.00 54.13 51.97 1s2o s LEU 5 Cb -0.05 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1s2o s LEU 5 CO -0.00 -0.33 0.20 -0.22 -1.32 0.00 0.00 176.35 174.68 1s2o s LEU 6 N 1.05 4.22 -0.19 -0.68 2.96 0.39 -1.05 118.68 125.38 1s2o s LEU 6 Ca 0.02 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1s2o s LEU 6 Cb -0.20 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.40 1s2o s LEU 6 CO -0.05 -0.15 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.02 1s2o s ILE 7 N 1.72 2.22 0.00 6.68 1.01 -0.17 -0.51 121.20 132.16 1s2o s ILE 7 Ca 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1s2o s ILE 7 Cb -0.17 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1s2o s ILE 7 CO 0.10 0.49 -0.09 -0.55 0.00 0.00 0.00 174.94 174.89 1s2o s SER 8 N 1.30 1.07 0.70 3.58 0.15 -0.31 -0.69 113.70 119.51 1s2o s SER 8 Ca 0.04 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.36 1s2o s SER 8 Cb -0.14 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1s2o s SER 8 CO -0.11 0.08 1.09 -0.62 1.20 0.00 0.00 173.24 174.88 1s2o s ASP 9 N -0.38 4.98 0.00 5.45 2.15 -0.64 -0.69 116.67 127.54 1s2o s ASP 9 Ca 0.02 1.86 0.00 0.00 0.43 0.00 0.00 52.55 54.86 1s2o s ASP 9 Cb -0.04 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1s2o s ASP 9 CO -0.00 -1.71 0.00 0.18 -0.17 0.00 0.00 175.17 173.46 1s2o n LEU 10 N -2.91 0.62 -4.68 -1.34 4.77 -1.25 -2.64 117.00 109.57 1s2o n LEU 10 Ca 0.09 0.04 -0.46 0.00 -0.03 0.00 0.00 56.01 55.65 1s2o n LEU 10 Cb 0.53 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1s2o n LEU 10 CO 0.51 -0.14 1.44 0.47 -1.33 0.00 0.00 177.39 178.33 1s2o n ASP 11 N -1.54 3.54 0.00 -1.43 9.92 -1.26 -1.17 116.55 124.61 1s2o n ASP 11 Ca 0.00 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 1s2o n ASP 11 Cb 0.00 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.05 1s2o n ASP 11 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1s2o n ASN 12 N 5.86 -1.91 0.00 -2.24 3.02 -0.13 -4.79 115.26 115.07 1s2o n ASN 12 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1s2o n ASN 12 Cb 0.32 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 1s2o n ASN 12 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1s2o n THR 13 N -2.32 0.00 0.04 3.41 -1.04 -0.70 -4.57 114.28 109.10 1s2o n THR 13 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1s2o n THR 13 Cb 0.08 -0.52 0.07 0.00 -1.82 0.00 0.00 70.33 68.15 1s2o n THR 13 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1s2o h TRP 14 N 0.00 0.56 -3.31 -1.42 2.91 -1.08 -1.42 115.95 112.19 1s2o h TRP 14 Ca 0.00 -0.21 -0.67 0.00 1.13 0.00 0.00 58.89 59.15 1s2o h TRP 14 Cb 0.00 -0.10 -0.13 0.00 -0.51 0.00 0.00 29.16 28.42 1s2o h TRP 14 CO 0.00 0.92 -0.63 0.08 -1.03 0.00 0.00 178.44 177.78 1s2o s VAL 15 N -3.88 4.27 0.00 2.65 1.01 -0.31 -4.15 120.40 119.99 1s2o s VAL 15 Ca -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1s2o s VAL 15 Cb 0.11 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1s2o s VAL 15 CO 0.83 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.94 1s2o n GLY 16 N 1.45 2.91 2.91 4.51 0.00 -1.26 -0.96 105.19 114.76 1s2o n GLY 16 Ca -0.15 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1s2o n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s2o s ASP 17 N 0.00 4.35 0.24 1.61 -1.08 -1.26 -5.01 116.67 115.52 1s2o s ASP 17 Ca 0.00 -2.41 -0.06 0.00 -0.52 0.00 0.00 52.55 49.56 1s2o s ASP 17 Cb 0.00 -1.43 0.29 0.00 -1.46 0.00 0.00 42.92 40.32 1s2o s ASP 17 CO 0.00 -0.32 1.87 -0.61 0.52 0.00 0.00 175.17 176.63 1s2o h GLN 18 N 7.21 1.02 -0.30 4.34 5.75 -1.96 -0.23 115.11 130.95 1s2o h GLN 18 Ca -0.06 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1s2o h GLN 18 Cb 0.97 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 1s2o h GLN 18 CO 0.56 0.68 0.18 1.96 -2.65 0.00 0.00 178.83 179.56 1s2o h GLN 19 N 1.05 0.40 -0.61 1.69 7.50 -2.00 -1.16 115.11 121.99 1s2o h GLN 19 Ca 0.36 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.42 1s2o h GLN 19 Cb 0.06 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.48 1s2o h GLN 19 CO -0.13 0.31 0.17 0.00 -1.50 0.00 0.00 178.83 177.67 1s2o h ALA 20 N 1.07 1.14 -0.50 3.87 0.00 -1.88 -1.36 119.26 121.61 1s2o h ALA 20 Ca 0.11 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s2o h ALA 20 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1s2o h ALA 20 CO -0.02 0.58 0.32 1.25 0.00 0.00 0.00 179.25 181.39 1s2o h LEU 21 N 0.91 0.55 -0.49 0.00 6.46 -0.57 0.24 115.31 122.41 1s2o h LEU 21 Ca 0.20 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1s2o h LEU 21 Cb 0.30 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1s2o h LEU 21 CO -0.00 0.40 0.17 -0.33 -0.62 0.00 0.00 178.44 178.05 1s2o h GLU 22 N 0.66 0.75 -0.55 1.25 5.08 -0.82 -0.68 114.58 120.27 1s2o h GLU 22 Ca 0.19 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1s2o h GLU 22 Cb -0.05 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1s2o h GLU 22 CO -0.05 0.69 0.32 0.45 -1.00 0.00 0.00 179.01 179.42 1s2o h HIS 23 N 0.65 0.72 -0.16 4.33 3.86 -0.86 -0.42 115.15 123.27 1s2o h HIS 23 Ca 0.16 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1s2o h HIS 23 Cb 0.24 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1s2o h HIS 23 CO 0.01 0.50 0.06 1.25 0.86 0.00 0.00 177.93 180.61 1s2o h LEU 24 N 0.73 0.23 -1.09 2.43 5.85 -0.76 -2.35 115.31 120.35 1s2o h LEU 24 Ca 0.20 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1s2o h LEU 24 Cb -0.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1s2o h LEU 24 CO -0.04 0.34 -0.31 1.56 -0.34 0.00 0.00 178.44 179.66 1s2o h GLN 25 N 0.10 0.25 -0.34 1.25 4.20 -0.93 -0.84 115.11 118.79 1s2o h GLN 25 Ca 0.05 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1s2o h GLN 25 Cb 0.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1s2o h GLN 25 CO -0.00 0.54 -0.14 1.49 -0.67 0.00 0.00 178.83 180.06 1s2o h GLU 26 N 0.22 0.70 0.12 1.46 4.81 -1.02 0.36 114.58 121.23 1s2o h GLU 26 Ca 0.03 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1s2o h GLU 26 Cb 0.67 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1s2o h GLU 26 CO 0.05 0.89 -0.06 -0.92 -0.73 0.00 0.00 179.01 178.24 1s2o h TYR 27 N 0.48 -0.14 -0.30 0.92 3.20 -1.14 -2.96 116.97 117.02 1s2o h TYR 27 Ca 0.08 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1s2o h TYR 27 Cb 0.66 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1s2o h TYR 27 CO 0.06 0.00 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.41 1s2o h LEU 28 N -0.26 0.48 -2.05 2.82 3.38 -1.15 -2.91 115.31 115.63 1s2o h LEU 28 Ca -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1s2o h LEU 28 Cb 0.21 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1s2o h LEU 28 CO 0.03 0.62 -0.03 1.23 0.09 0.00 0.00 178.44 180.38 1s2o h GLY 29 N 0.90 0.00 0.38 0.83 0.00 -0.76 -1.26 103.07 103.16 1s2o h GLY 29 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1s2o h GLY 29 CO 0.03 0.00 -0.01 1.22 0.00 0.00 0.00 176.54 177.77 1s2o n ASP 30 N -4.34 0.68 -1.55 0.19 8.00 -1.10 -3.58 116.55 114.86 1s2o n ASP 30 Ca -0.03 -1.16 0.04 0.00 0.71 0.00 0.00 54.79 54.35 1s2o n ASP 30 Cb 0.11 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1s2o n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1s2o n ARG 31 N -0.50 0.16 -0.31 -1.24 1.74 -0.57 -4.95 116.66 110.98 1s2o n ARG 31 Ca 0.21 -2.13 0.14 0.00 -0.77 0.00 0.00 57.85 55.30 1s2o n ARG 31 Cb 0.23 -0.15 0.38 0.00 -1.02 0.00 0.00 32.46 31.91 1s2o n ARG 31 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1s2o h ARG 32 N 1.09 0.65 0.00 5.56 9.65 -1.36 -1.60 114.38 128.37 1s2o h ARG 32 Ca -0.22 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1s2o h ARG 32 Cb 1.83 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 30.27 1s2o h ARG 32 CO 0.10 0.43 0.00 0.41 2.80 0.00 0.00 179.97 183.71 1s2o n GLY 33 N -1.41 -1.08 0.66 2.80 0.00 -1.26 -3.50 105.19 101.40 1s2o n GLY 33 Ca 0.21 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1s2o n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s2o n ASN 34 N -1.31 2.06 -3.72 1.61 3.02 -0.60 -4.87 115.26 111.46 1s2o n ASN 34 Ca 0.10 -1.69 -0.12 0.00 -0.03 0.00 0.00 54.58 52.84 1s2o n ASN 34 Cb 0.19 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.28 1s2o n ASN 34 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1s2o s PHE 35 N -1.97 -0.17 -0.11 3.10 -0.71 -1.23 -1.89 117.98 115.00 1s2o s PHE 35 Ca 0.34 0.07 -0.09 0.00 -1.04 0.00 0.00 56.93 56.21 1s2o s PHE 35 Cb 0.21 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 1s2o s PHE 35 CO 0.32 -0.53 0.20 0.71 -1.34 0.00 0.00 175.22 174.58 1s2o s TYR 36 N -2.50 3.59 -0.09 3.49 1.51 0.83 -4.97 117.35 119.21 1s2o s TYR 36 Ca -0.05 0.59 0.04 0.00 -1.01 0.00 0.00 57.07 56.64 1s2o s TYR 36 Cb -0.01 -2.06 -0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1s2o s TYR 36 CO -0.03 0.62 -0.24 -1.17 -1.11 0.00 0.00 175.55 173.63 1s2o s LEU 37 N -0.74 2.08 -0.05 -1.29 2.96 -1.26 -0.47 118.68 119.91 1s2o s LEU 37 Ca 0.16 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1s2o s LEU 37 Cb -0.13 -1.39 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1s2o s LEU 37 CO 0.05 0.17 -0.08 0.00 -1.32 0.00 0.00 176.35 175.17 1s2o s ALA 38 N 0.24 0.95 -0.21 5.97 0.00 0.33 -0.11 121.76 128.94 1s2o s ALA 38 Ca -0.16 -0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 1s2o s ALA 38 Cb -0.17 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1s2o s ALA 38 CO 0.08 0.06 0.27 0.71 0.00 0.00 0.00 175.76 176.88 1s2o s TYR 39 N 0.76 3.37 -0.35 0.00 2.02 -0.40 -1.16 117.35 121.59 1s2o s TYR 39 Ca -0.13 0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.99 1s2o s TYR 39 Cb -0.15 -2.38 0.08 0.00 -0.40 0.00 0.00 41.96 39.11 1s2o s TYR 39 CO 0.02 0.08 0.10 0.00 -1.57 0.00 0.00 175.55 174.18 1s2o s ALA 40 N 1.01 2.99 0.08 3.71 0.00 0.13 0.30 121.76 129.98 1s2o s ALA 40 Ca 0.14 -2.13 0.03 0.00 0.00 0.00 0.00 51.96 50.00 1s2o s ALA 40 Cb -0.14 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1s2o s ALA 40 CO 0.05 -1.52 -0.10 -0.08 0.00 0.00 0.00 175.76 174.11 1s2o s THR 41 N 1.20 0.85 -0.73 0.00 -1.32 0.31 -3.87 115.64 112.08 1s2o s THR 41 Ca 0.02 -1.48 0.25 0.00 -1.21 0.00 0.00 61.69 59.27 1s2o s THR 41 Cb -0.21 -1.16 0.26 0.00 -1.51 0.00 0.00 72.50 69.88 1s2o s THR 41 CO -0.02 -0.49 1.77 0.61 -2.21 0.00 0.00 174.62 174.27 1s2o n GLY 42 N 0.84 -1.53 3.76 6.08 0.00 -1.26 -2.82 105.19 110.26 1s2o n GLY 42 Ca -0.18 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1s2o n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s2o s ARG 43 N -3.13 2.73 0.81 1.61 0.52 -1.26 -3.68 118.95 116.54 1s2o s ARG 43 Ca 0.09 1.44 -0.11 0.00 -0.52 0.00 0.00 55.73 56.63 1s2o s ARG 43 Cb 0.12 -1.94 0.07 0.00 0.52 0.00 0.00 34.95 33.73 1s2o s ARG 43 CO 0.52 -1.31 1.09 -1.54 0.02 0.00 0.00 175.30 174.08 1s2o s SER 44 N -2.49 4.32 0.22 0.23 1.04 -1.26 -0.55 113.70 115.21 1s2o s SER 44 Ca 0.68 1.53 -0.07 0.00 0.48 0.00 0.00 55.95 58.57 1s2o s SER 44 Cb -0.22 -2.27 0.29 0.00 0.10 0.00 0.00 66.02 63.93 1s2o s SER 44 CO 0.41 -2.11 1.82 0.22 0.98 0.00 0.00 173.24 174.57 1s2o h TYR 45 N -1.18 0.80 -0.51 5.02 3.20 -1.94 0.70 116.97 123.07 1s2o h TYR 45 Ca -0.46 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.42 1s2o h TYR 45 Cb 1.25 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 1s2o h TYR 45 CO 0.50 0.38 0.26 1.25 -1.64 0.00 0.00 178.16 178.91 1s2o h HIS 46 N 0.79 0.72 -0.53 -3.82 2.76 -1.93 -0.69 115.15 112.45 1s2o h HIS 46 Ca 0.34 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.41 1s2o h HIS 46 Cb 0.21 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1s2o h HIS 46 CO -0.06 0.56 0.04 1.03 -1.30 0.00 0.00 177.93 178.19 1s2o h SER 47 N 0.68 0.84 -0.50 3.26 0.87 -1.73 -0.79 113.55 116.17 1s2o h SER 47 Ca 0.18 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1s2o h SER 47 Cb 0.09 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1s2o h SER 47 CO -0.02 0.88 0.07 0.00 -0.53 0.00 0.00 176.83 177.22 1s2o h ALA 48 N 1.22 1.08 -0.22 6.23 0.00 -0.45 -0.81 119.26 126.30 1s2o h ALA 48 Ca 0.16 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1s2o h ALA 48 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1s2o h ALA 48 CO 0.02 0.59 -0.30 0.00 0.00 0.00 0.00 179.25 179.56 1s2o h ARG 49 N 0.84 0.45 -0.51 0.00 2.47 -0.62 -0.77 114.38 116.24 1s2o h ARG 49 Ca 0.17 -0.18 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 1s2o h ARG 49 Cb 0.40 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1s2o h ARG 49 CO 0.01 0.70 -0.02 0.93 0.56 0.00 0.00 179.97 182.16 1s2o h GLU 50 N 0.39 0.91 -0.40 0.04 5.08 -0.42 -2.07 114.58 118.11 1s2o h GLU 50 Ca 0.05 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1s2o h GLU 50 Cb 0.72 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1s2o h GLU 50 CO 0.06 0.95 0.04 1.25 -1.00 0.00 0.00 179.01 180.30 1s2o h LEU 51 N 0.78 0.57 -0.79 1.33 5.85 -0.82 -0.67 115.31 121.56 1s2o h LEU 51 Ca 0.14 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1s2o h LEU 51 Cb 0.54 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1s2o h LEU 51 CO 0.03 0.62 0.52 -0.61 -0.34 0.00 0.00 178.44 178.66 1s2o h GLN 52 N 0.59 1.05 -0.48 1.25 4.15 -0.64 -1.05 115.11 119.97 1s2o h GLN 52 Ca 0.13 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 1s2o h GLN 52 Cb 0.32 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1s2o h GLN 52 CO 0.01 0.70 -0.19 -0.22 -1.93 0.00 0.00 178.83 177.20 1s2o h LYS 53 N 1.07 0.96 -0.09 1.69 1.63 -0.75 0.35 116.57 121.43 1s2o h LYS 53 Ca 0.29 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1s2o h LYS 53 Cb -0.11 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1s2o h LYS 53 CO -0.06 1.06 0.05 0.37 -3.45 0.00 0.00 179.45 177.41 1s2o h GLN 54 N 0.84 0.10 -0.10 1.90 4.15 -0.47 -3.31 115.11 118.22 1s2o h GLN 54 Ca 0.12 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1s2o h GLN 54 Cb 0.75 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1s2o h GLN 54 CO 0.06 0.06 0.00 1.33 -1.93 0.00 0.00 178.83 178.35 1s2o n VAL 55 N -5.05 0.41 -2.85 2.39 0.24 -0.46 -5.02 118.33 107.99 1s2o n VAL 55 Ca -0.05 -0.70 -0.10 0.00 -2.04 0.00 0.00 64.34 61.45 1s2o n VAL 55 Cb 0.04 0.89 0.04 0.00 -1.47 0.00 0.00 33.84 33.34 1s2o n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s2o n GLY 56 N 0.32 0.12 3.75 7.63 0.00 0.12 -4.97 105.19 112.15 1s2o n GLY 56 Ca 0.06 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1s2o n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s2o s LEU 57 N -4.14 4.35 0.60 0.99 1.43 -0.76 -4.96 118.68 116.19 1s2o s LEU 57 Ca 0.12 2.92 -0.18 0.00 -1.03 0.00 0.00 54.13 55.97 1s2o s LEU 57 Cb -0.05 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1s2o s LEU 57 CO 0.36 -0.87 1.13 0.00 0.23 0.00 0.00 176.35 177.20 1s2o s MET 58 N -0.74 3.09 -0.01 1.70 0.23 -1.26 -4.93 119.30 117.38 1s2o s MET 58 Ca 0.61 1.54 -0.30 0.00 -1.03 0.00 0.00 55.69 56.51 1s2o s MET 58 Cb -0.47 -1.98 -0.06 0.00 -1.53 0.00 0.00 34.83 30.80 1s2o s MET 58 CO 0.50 -1.05 1.53 -2.00 -2.03 0.00 0.00 175.02 171.97 1s2o s GLU 59 N -3.62 4.23 0.65 3.16 2.56 -1.26 -5.01 118.70 119.41 1s2o s GLU 59 Ca 0.71 2.11 -0.01 0.00 0.00 0.00 0.00 54.97 57.78 1s2o s GLU 59 Cb -0.23 -3.72 0.08 0.00 2.00 0.00 0.00 34.13 32.27 1s2o s GLU 59 CO 0.33 -0.71 0.91 -1.25 -0.56 0.00 0.00 175.26 173.99 1s2o s PRO 60 N 3.02 2.08 0.04 4.30 0.04 -1.26 -5.00 135.00 138.22 1s2o s PRO 60 Ca 0.69 -0.87 0.12 0.00 0.04 0.00 0.00 61.00 60.98 1s2o s PRO 60 Cb -0.33 -2.37 -0.20 0.00 0.04 0.00 0.00 34.50 31.64 1s2o s PRO 60 CO 0.28 -1.13 0.91 -0.44 0.04 0.00 0.00 177.00 176.66 1s2o h ASP 61 N -0.30 0.00 -5.02 6.66 3.32 -0.89 -3.45 116.42 116.73 1s2o h ASP 61 Ca -0.40 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.51 1s2o h ASP 61 Cb 1.28 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.64 1s2o h ASP 61 CO 0.47 0.92 -0.52 -0.31 -1.72 0.00 0.00 179.24 178.08 1s2o s TYR 62 N -2.69 0.12 -0.16 4.55 1.51 -0.63 -4.21 117.35 115.84 1s2o s TYR 62 Ca -0.02 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1s2o s TYR 62 Cb 0.09 -0.10 0.03 0.00 -0.11 0.00 0.00 41.96 41.87 1s2o s TYR 62 CO 0.82 -0.31 -0.12 -1.58 -1.11 0.00 0.00 175.55 173.25 1s2o s TRP 63 N -1.86 2.18 -0.46 2.71 0.52 0.27 -1.27 118.94 121.03 1s2o s TRP 63 Ca -0.11 -1.29 -0.13 0.00 0.02 0.00 0.00 56.10 54.59 1s2o s TRP 63 Cb -0.05 -1.58 0.08 0.00 -1.15 0.00 0.00 33.47 30.77 1s2o s TRP 63 CO -0.01 -0.68 0.35 -0.51 0.02 0.00 0.00 176.95 176.12 1s2o s LEU 64 N 1.48 5.50 0.39 2.99 1.02 0.15 -1.04 118.68 129.17 1s2o s LEU 64 Ca 0.03 -1.45 0.08 0.00 0.02 0.00 0.00 54.13 52.81 1s2o s LEU 64 Cb -0.14 -2.11 -0.07 0.00 0.02 0.00 0.00 46.19 43.89 1s2o s LEU 64 CO -0.10 -0.62 0.01 0.42 0.02 0.00 0.00 176.35 176.08 1s2o s THR 65 N 1.55 2.12 -1.11 5.49 -4.23 -0.15 -0.53 115.64 118.78 1s2o s THR 65 Ca 0.04 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.32 1s2o s THR 65 Cb -0.24 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.69 1s2o s THR 65 CO 0.04 -0.05 0.75 0.00 -0.54 0.00 0.00 174.62 174.82 1s2o n ALA 66 N -0.96 -2.59 -3.75 3.99 0.00 0.28 -1.78 120.51 115.69 1s2o n ALA 66 Ca -0.04 -0.32 -0.25 0.00 0.00 0.00 0.00 53.44 52.82 1s2o n ALA 66 Cb 0.66 -3.30 0.04 0.00 0.00 0.00 0.00 19.45 16.85 1s2o n ALA 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1s2o n VAL 67 N -4.13 -3.26 -0.95 0.00 0.31 -1.25 -1.94 118.33 107.10 1s2o n VAL 67 Ca -0.11 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1s2o n VAL 67 Cb 0.59 -3.53 0.00 0.00 -0.91 0.00 0.00 33.84 29.99 1s2o n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s2o n GLY 68 N -1.68 0.37 0.21 2.92 0.00 -0.90 -2.81 105.19 103.30 1s2o n GLY 68 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1s2o n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s2o h SER 69 N 0.00 0.00 -3.41 1.61 4.64 -0.67 -3.39 113.55 112.33 1s2o h SER 69 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1s2o h SER 69 Cb 0.31 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.08 1s2o h SER 69 CO 0.00 0.17 -0.61 -1.61 -0.87 0.00 0.00 176.83 173.91 1s2o s GLU 70 N -3.29 0.08 -0.15 4.77 2.02 -1.06 -4.81 118.70 116.25 1s2o s GLU 70 Ca 0.04 0.38 -0.02 0.00 0.02 0.00 0.00 54.97 55.39 1s2o s GLU 70 Cb 0.07 -0.19 -0.02 0.00 0.10 0.00 0.00 34.13 34.09 1s2o s GLU 70 CO 0.66 -0.18 -0.09 0.42 0.02 0.00 0.00 175.26 176.10 1s2o s ILE 71 N 1.26 3.32 0.08 -1.63 1.01 -1.26 -0.98 121.20 123.00 1s2o s ILE 71 Ca -0.08 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.10 1s2o s ILE 71 Cb -0.12 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1s2o s ILE 71 CO -0.06 0.50 -0.23 -0.31 0.00 0.00 0.00 174.94 174.84 1s2o s TYR 72 N 0.56 1.99 0.35 3.97 1.51 -0.20 -0.36 117.35 125.16 1s2o s TYR 72 Ca -0.06 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 1s2o s TYR 72 Cb -0.15 -1.13 -0.06 0.00 -0.11 0.00 0.00 41.96 40.50 1s2o s TYR 72 CO 0.03 0.18 0.05 -3.38 -1.11 0.00 0.00 175.55 171.33 1s2o s HIS 73 N -0.97 2.05 0.56 2.71 -3.43 -0.58 -0.56 115.29 115.07 1s2o s HIS 73 Ca 0.09 -0.93 0.33 0.00 -0.80 0.00 0.00 55.06 53.75 1s2o s HIS 73 Cb -0.10 -1.37 1.47 0.00 -1.43 0.00 0.00 32.58 31.16 1s2o s HIS 73 CO 0.03 0.07 1.81 -1.35 -2.00 0.00 0.00 174.74 173.31 1s2o h PRO 74 N 2.02 0.00 -0.61 -0.38 0.11 -1.87 -2.05 132.00 129.23 1s2o h PRO 74 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1s2o h PRO 74 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1s2o h PRO 74 CO 0.71 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 1s2o n GLU 75 N -4.01 3.43 0.00 1.05 -0.58 -1.26 -5.06 120.64 114.21 1s2o n GLU 75 Ca 0.19 -2.77 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 1s2o n GLU 75 Cb 1.05 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 1s2o n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s2o n GLY 76 N 1.05 0.96 3.75 0.62 0.00 -0.77 -5.07 105.19 105.73 1s2o n GLY 76 Ca 0.24 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1s2o n GLY 76 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s2o s LEU 77 N 0.00 4.51 -0.16 0.99 2.96 -1.26 -1.53 118.68 124.19 1s2o s LEU 77 Ca 0.00 2.26 -0.29 0.00 -0.22 0.00 0.00 54.13 55.88 1s2o s LEU 77 Cb 0.00 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1s2o s LEU 77 CO 0.00 -0.24 1.43 -0.62 -1.32 0.00 0.00 176.35 175.60 1s2o s ASP 78 N -0.48 6.75 0.21 3.68 -1.08 0.51 -4.91 116.67 121.36 1s2o s ASP 78 Ca 0.48 1.77 0.10 0.00 -0.52 0.00 0.00 52.55 54.37 1s2o s ASP 78 Cb -0.32 -2.54 0.12 0.00 -1.46 0.00 0.00 42.92 38.72 1s2o s ASP 78 CO 0.40 -0.92 1.47 -0.61 0.52 0.00 0.00 175.17 176.03 1s2o h GLN 79 N 9.07 0.00 -0.49 4.34 5.75 -1.93 -2.84 115.11 129.00 1s2o h GLN 79 Ca -0.31 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.07 1s2o h GLN 79 Cb 1.13 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1s2o h GLN 79 CO 0.98 0.76 -0.18 0.45 -2.65 0.00 0.00 178.83 178.19 1s2o h HIS 80 N 0.00 1.13 -0.51 3.99 3.86 -1.99 0.02 115.15 121.64 1s2o h HIS 80 Ca -0.01 -0.26 -0.10 0.00 -1.16 0.00 0.00 60.37 58.84 1s2o h HIS 80 Cb 1.38 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 1s2o h HIS 80 CO 0.00 1.08 -0.08 2.35 0.86 0.00 0.00 177.93 182.14 1s2o h TRP 81 N 0.85 1.07 -0.56 2.45 2.91 -1.98 -1.60 115.95 119.09 1s2o h TRP 81 Ca 0.12 -0.22 0.02 0.00 1.13 0.00 0.00 58.89 59.94 1s2o h TRP 81 Cb 0.76 -0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 29.11 1s2o h TRP 81 CO 0.05 1.01 0.35 0.00 -1.03 0.00 0.00 178.44 178.82 1s2o h ALA 82 N 0.91 0.71 -0.58 2.65 0.00 -1.24 -0.93 119.26 120.78 1s2o h ALA 82 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1s2o h ALA 82 Cb 0.64 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1s2o h ALA 82 CO 0.04 0.10 0.11 -0.44 0.00 0.00 0.00 179.25 179.06 1s2o h ASP 83 N 0.71 0.86 -0.47 0.00 3.32 -0.80 -0.08 116.42 119.96 1s2o h ASP 83 Ca 0.22 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1s2o h ASP 83 Cb -0.03 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1s2o h ASP 83 CO -0.07 0.86 0.23 0.22 -1.72 0.00 0.00 179.24 178.76 1s2o h TYR 84 N 0.87 0.68 0.00 4.55 3.20 -0.71 -2.49 116.97 123.07 1s2o h TYR 84 Ca 0.18 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1s2o h TYR 84 Cb 0.36 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1s2o h TYR 84 CO 0.02 0.54 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.70 1s2o h LEU 85 N 0.62 0.00 -0.60 2.82 3.38 -0.85 -3.10 115.31 117.59 1s2o h LEU 85 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1s2o h LEU 85 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1s2o h LEU 85 CO -0.02 0.31 0.00 0.28 0.09 0.00 0.00 178.44 179.10 1s2o h SER 86 N 0.00 0.00 -2.03 -0.43 0.02 -0.59 -3.41 113.55 107.11 1s2o h SER 86 Ca -0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1s2o h SER 86 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1s2o h SER 86 CO 0.04 0.00 1.42 1.21 -1.14 0.00 0.00 176.83 178.36 1s2o n GLU 87 N -3.08 2.16 -1.10 3.45 2.13 -0.99 -1.21 120.64 121.99 1s2o n GLU 87 Ca 0.03 0.66 -0.03 0.00 0.66 0.00 0.00 57.16 58.47 1s2o n GLU 87 Cb 0.44 -3.13 -0.01 0.00 0.27 0.00 0.00 31.44 29.00 1s2o n GLU 87 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1s2o n HIS 88 N 10.45 0.00 -3.23 4.31 8.25 -1.26 -4.96 115.22 128.78 1s2o n HIS 88 Ca 0.28 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.35 1s2o n HIS 88 Cb 0.42 -1.41 -0.06 0.00 1.12 0.00 0.00 29.99 30.06 1s2o n HIS 88 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1s2o s TRP 89 N -1.75 3.66 -0.52 4.41 -0.11 -0.35 -4.32 118.94 119.97 1s2o s TRP 89 Ca 0.00 1.15 0.04 0.00 1.22 0.00 0.00 56.10 58.51 1s2o s TRP 89 Cb 0.00 -2.59 0.16 0.00 -1.50 0.00 0.00 33.47 29.54 1s2o s TRP 89 CO 0.00 0.34 0.37 -0.65 -4.62 0.00 0.00 176.95 172.39 1s2o s GLN 90 N -0.10 1.52 0.16 5.86 -0.21 -1.26 -4.99 119.66 120.64 1s2o s GLN 90 Ca 0.30 -2.50 -0.14 0.00 0.02 0.00 0.00 55.36 53.04 1s2o s GLN 90 Cb -0.18 -2.31 0.06 0.00 1.00 0.00 0.00 33.01 31.58 1s2o s GLN 90 CO 0.16 -1.30 1.77 -0.09 -2.12 0.00 0.00 175.29 173.71 1s2o h ARG 91 N 5.82 0.75 -0.20 2.91 2.43 -1.96 -2.73 114.38 121.41 1s2o h ARG 91 Ca 0.16 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1s2o h ARG 91 Cb 0.86 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1s2o h ARG 91 CO 0.51 0.60 0.08 -0.44 -1.51 0.00 0.00 179.97 179.21 1s2o h ASP 92 N 0.71 0.11 -0.02 -3.80 3.32 -1.95 0.74 116.42 115.54 1s2o h ASP 92 Ca 0.19 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1s2o h ASP 92 Cb 0.07 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1s2o h ASP 92 CO -0.03 0.09 -0.42 -0.29 -1.72 0.00 0.00 179.24 176.88 1s2o h ILE 93 N 0.18 1.30 -0.38 0.35 2.10 -1.99 -1.02 117.51 118.07 1s2o h ILE 93 Ca 0.08 -1.59 -0.04 0.00 1.08 0.00 0.00 64.86 64.39 1s2o h ILE 93 Cb 0.04 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 37.33 1s2o h ILE 93 CO -0.07 0.50 0.08 -0.07 -1.08 0.00 0.00 178.15 177.51 1s2o h LEU 94 N 0.45 0.58 -0.49 2.19 3.38 -1.24 -1.23 115.31 118.95 1s2o h LEU 94 Ca 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1s2o h LEU 94 Cb 0.92 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1s2o h LEU 94 CO 0.08 0.67 0.22 -0.61 0.09 0.00 0.00 178.44 178.89 1s2o h GLN 95 N 0.46 0.71 -0.96 1.13 4.15 -0.72 -0.97 115.11 118.90 1s2o h GLN 95 Ca 0.12 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1s2o h GLN 95 Cb 0.32 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 1s2o h GLN 95 CO 0.00 0.61 0.63 0.00 -1.93 0.00 0.00 178.83 178.14 1s2o h ALA 96 N 1.06 1.28 -0.10 3.38 0.00 -0.95 0.20 119.26 124.13 1s2o h ALA 96 Ca 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1s2o h ALA 96 Cb 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1s2o h ALA 96 CO -0.02 0.50 -0.13 0.82 0.00 0.00 0.00 179.25 180.43 1s2o h ILE 97 N 1.21 1.38 -0.39 0.00 2.04 -0.94 -3.12 117.51 117.69 1s2o h ILE 97 Ca 0.39 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1s2o h ILE 97 Cb 0.01 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1s2o h ILE 97 CO -0.13 0.38 -0.02 0.00 0.00 0.00 0.00 178.15 178.38 1s2o h ALA 98 N 0.55 1.24 0.00 1.87 0.00 -0.91 -2.08 119.26 119.93 1s2o h ALA 98 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1s2o h ALA 98 Cb 0.67 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1s2o h ALA 98 CO 0.03 0.50 -0.03 -0.44 0.00 0.00 0.00 179.25 179.32 1s2o h ASP 99 N 0.59 0.00 0.39 0.00 3.32 -0.62 -1.95 116.42 118.15 1s2o h ASP 99 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1s2o h ASP 99 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1s2o h ASP 99 CO 0.02 0.03 0.00 1.23 -1.72 0.00 0.00 179.24 178.79 1s2o h GLY 100 N 0.10 0.00 -6.51 2.75 0.00 -1.31 -3.41 103.07 94.69 1s2o h GLY 100 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1s2o h GLY 100 CO 0.00 0.00 0.82 -1.36 0.00 0.00 0.00 176.54 176.01 1s2o s PHE 101 N -3.71 2.92 0.46 5.60 0.08 -0.74 -4.91 117.98 117.69 1s2o s PHE 101 Ca -0.01 0.76 0.14 0.00 0.12 0.00 0.00 56.93 57.94 1s2o s PHE 101 Cb 0.09 -4.14 1.09 0.00 -0.57 0.00 0.00 43.02 39.49 1s2o s PHE 101 CO 0.38 -1.10 2.03 1.05 -0.10 0.00 0.00 175.22 177.48 1s2o h GLU 102 N 8.91 0.30 0.00 0.44 4.11 -1.88 -0.93 114.58 125.53 1s2o h GLU 102 Ca -0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1s2o h GLU 102 Cb 1.06 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1s2o h GLU 102 CO 1.08 0.20 0.00 0.00 0.07 0.00 0.00 179.01 180.36 1s2o n ALA 103 N -2.53 1.93 -2.80 1.06 0.00 -1.26 -4.71 120.51 112.19 1s2o n ALA 103 Ca 0.06 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 1s2o n ALA 103 Cb 0.29 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 1s2o n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s2o s LEU 104 N -3.35 3.86 -0.07 0.00 1.43 -0.36 -0.66 118.68 119.53 1s2o s LEU 104 Ca 0.09 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1s2o s LEU 104 Cb 0.13 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1s2o s LEU 104 CO 0.40 0.25 -0.19 -0.54 0.23 0.00 0.00 176.35 176.50 1s2o s LYS 105 N -0.10 2.30 0.35 1.70 3.01 -0.48 -4.85 119.74 121.67 1s2o s LYS 105 Ca 0.07 -0.67 -0.29 0.00 -1.01 0.00 0.00 55.97 54.08 1s2o s LYS 105 Cb -0.12 -1.84 -0.11 0.00 -1.01 0.00 0.00 37.83 34.75 1s2o s LYS 105 CO 0.01 0.15 1.48 -2.30 0.51 0.00 0.00 175.35 175.20 1s2o n PRO 106 N 3.52 2.57 -1.60 -1.68 -0.02 -1.26 0.02 135.00 136.54 1s2o n PRO 106 Ca -0.20 0.91 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 1s2o n PRO 106 Cb 0.52 -2.62 0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1s2o n PRO 106 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1s2o s GLN 107 N -1.62 1.24 0.61 -0.52 -0.21 -0.26 -4.75 119.66 114.14 1s2o s GLN 107 Ca 0.57 0.24 -0.18 0.00 0.02 0.00 0.00 55.36 56.00 1s2o s GLN 107 Cb -0.50 -1.86 -0.06 0.00 1.00 0.00 0.00 33.01 31.60 1s2o s GLN 107 CO 0.59 -2.12 0.80 0.45 -2.12 0.00 0.00 175.29 172.89 1s2o n SER 108 N -3.70 0.05 0.20 5.90 2.88 -1.26 -4.83 113.62 112.86 1s2o n SER 108 Ca 0.07 0.76 0.18 0.00 -1.33 0.00 0.00 58.87 58.55 1s2o n SER 108 Cb 0.60 -1.31 0.83 0.00 -0.75 0.00 0.00 64.21 63.57 1s2o n SER 108 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1s2o h PRO 109 N 0.30 0.00 0.00 -1.46 0.11 -1.95 0.14 132.00 129.14 1s2o h PRO 109 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1s2o h PRO 109 Cb 1.38 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 1s2o h PRO 109 CO 0.49 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.16 1s2o h LEU 110 N 0.00 0.00 -2.00 2.35 3.38 -2.04 -2.13 115.31 114.88 1s2o h LEU 110 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1s2o h LEU 110 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1s2o h LEU 110 CO -0.00 0.05 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 1s2o n GLU 111 N -3.34 2.33 -4.10 1.13 -0.58 0.47 -4.94 120.64 111.60 1s2o n GLU 111 Ca -0.02 -1.98 -0.32 0.00 -0.42 0.00 0.00 57.16 54.43 1s2o n GLU 111 Cb 0.20 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.52 1s2o n GLU 111 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1s2o s GLN 112 N -1.71 2.95 0.21 3.49 -1.52 -0.80 -4.61 119.66 117.68 1s2o s GLN 112 Ca 0.35 -0.59 -0.15 0.00 -1.95 0.00 0.00 55.36 53.03 1s2o s GLN 112 Cb 0.21 -2.78 0.01 0.00 -0.22 0.00 0.00 33.01 30.23 1s2o s GLN 112 CO 0.31 0.61 0.48 0.54 -0.25 0.00 0.00 175.29 176.97 1s2o s ASN 113 N -1.99 -0.15 0.64 5.90 2.20 -0.95 -4.99 114.94 115.61 1s2o s ASN 113 Ca 0.25 -0.72 0.24 0.00 -0.94 0.00 0.00 52.86 51.70 1s2o s ASN 113 Cb -0.12 0.56 1.25 0.00 -2.00 0.00 0.00 41.25 40.95 1s2o s ASN 113 CO 0.17 -1.07 1.70 -0.65 -2.94 0.00 0.00 177.10 174.31 1s2o h PRO 114 N 2.27 0.00 0.00 3.55 0.11 -2.00 -0.83 132.00 135.11 1s2o h PRO 114 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1s2o h PRO 114 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1s2o h PRO 114 CO 0.38 0.00 -0.25 0.91 -0.21 0.00 0.00 178.00 178.83 1s2o n TRP 115 N -3.03 0.00 -3.53 0.65 8.01 -1.26 -4.79 117.44 113.49 1s2o n TRP 115 Ca 0.02 -1.07 -0.09 0.00 -1.31 0.00 0.00 57.50 55.06 1s2o n TRP 115 Cb 0.64 -0.18 -0.09 0.00 -2.01 0.00 0.00 31.31 29.67 1s2o n TRP 115 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1s2o s LYS 116 N -2.65 0.33 -0.26 -0.99 2.20 -0.32 -4.17 119.74 113.88 1s2o s LYS 116 Ca 0.32 0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 56.74 1s2o s LYS 116 Cb 0.29 0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1s2o s LYS 116 CO -0.01 -0.41 -0.03 0.42 -0.36 0.00 0.00 175.35 174.96 1s2o s ILE 117 N 2.58 3.06 0.02 5.43 1.01 -0.58 -2.23 121.20 130.50 1s2o s ILE 117 Ca 0.04 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.75 1s2o s ILE 117 Cb -0.13 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1s2o s ILE 117 CO -0.14 0.14 -0.22 -0.44 0.00 0.00 0.00 174.94 174.28 1s2o s SER 118 N 1.34 3.45 0.21 3.58 0.01 -1.26 -0.52 113.70 120.52 1s2o s SER 118 Ca -0.00 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 1s2o s SER 118 Cb -0.17 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 1s2o s SER 118 CO -0.03 0.28 0.11 -0.31 0.41 0.00 0.00 173.24 173.70 1s2o s TYR 119 N -0.79 1.27 -0.07 2.43 1.51 0.46 -1.10 117.35 121.06 1s2o s TYR 119 Ca 0.12 -1.30 0.06 0.00 -1.01 0.00 0.00 57.07 54.94 1s2o s TYR 119 Cb -0.10 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.07 1s2o s TYR 119 CO 0.02 -0.52 -0.24 -1.01 -1.11 0.00 0.00 175.55 172.68 1s2o s HIS 120 N -4.01 2.47 0.01 2.71 3.76 0.10 -0.80 115.29 119.54 1s2o s HIS 120 Ca 0.37 -0.77 -0.21 0.00 -0.15 0.00 0.00 55.06 54.31 1s2o s HIS 120 Cb 0.07 -1.62 -0.06 0.00 1.11 0.00 0.00 32.58 32.08 1s2o s HIS 120 CO 0.12 -0.25 0.61 -1.17 -0.85 0.00 0.00 174.74 173.20 1s2o s LEU 121 N -0.07 4.43 0.14 0.89 2.96 0.12 -1.38 118.68 125.77 1s2o s LEU 121 Ca -0.06 1.21 -0.33 0.00 -0.22 0.00 0.00 54.13 54.73 1s2o s LEU 121 Cb -0.14 -2.96 -0.13 0.00 0.50 0.00 0.00 46.19 43.46 1s2o s LEU 121 CO 0.05 0.11 1.70 -0.90 -1.32 0.00 0.00 176.35 175.98 1s2o n ASP 122 N 2.61 3.52 0.29 3.68 5.75 0.17 -4.83 116.55 127.74 1s2o n ASP 122 Ca -0.07 1.05 0.18 0.00 -0.01 0.00 0.00 54.79 55.94 1s2o n ASP 122 Cb 0.51 -1.48 0.90 0.00 -1.03 0.00 0.00 41.12 40.03 1s2o n ASP 122 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1s2o h PRO 123 N 6.99 0.00 -0.02 0.11 0.11 -1.92 0.95 132.00 138.21 1s2o h PRO 123 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1s2o h PRO 123 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1s2o h PRO 123 CO 0.92 0.00 -0.10 1.04 -0.21 0.00 0.00 178.00 179.65 1s2o n GLN 124 N -3.15 1.79 -2.45 1.05 1.13 -1.26 -4.95 117.38 109.53 1s2o n GLN 124 Ca -0.01 -1.33 -0.25 0.00 -1.94 0.00 0.00 57.00 53.47 1s2o n GLN 124 Cb 0.33 -1.47 0.04 0.00 0.11 0.00 0.00 30.24 29.24 1s2o n GLN 124 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s2o s ALA 125 N -2.13 3.40 -0.10 -1.58 0.00 0.32 -5.09 121.76 116.59 1s2o s ALA 125 Ca 0.29 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 1s2o s ALA 125 Cb 0.20 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1s2o s ALA 125 CO 0.38 -0.87 0.14 0.00 0.00 0.00 0.00 175.76 175.41 1s2o h PRO 127 N 4.77 0.00 0.00 0.00 0.11 -1.97 -0.66 132.00 134.26 1s2o h PRO 127 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1s2o h PRO 127 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1s2o h PRO 127 CO 0.60 0.00 0.01 1.79 -0.21 0.00 0.00 178.00 180.19 1s2o h THR 128 N 0.00 0.00 -0.75 -1.15 1.35 -1.99 0.19 112.91 110.56 1s2o h THR 128 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 1s2o h THR 128 Cb 0.35 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 1s2o h THR 128 CO 0.00 0.00 0.28 0.58 -0.25 0.00 0.00 175.52 176.13 1s2o h VAL 129 N 0.00 1.25 -0.33 6.82 2.07 -1.53 0.40 116.25 124.94 1s2o h VAL 129 Ca 0.00 -0.82 -0.12 0.00 0.82 0.00 0.00 66.70 66.57 1s2o h VAL 129 Cb 0.03 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1s2o h VAL 129 CO 0.00 0.33 -0.30 0.40 0.02 0.00 0.00 177.57 178.02 1s2o h ILE 130 N 1.09 1.28 -0.49 4.57 5.03 -0.82 -1.44 117.51 126.73 1s2o h ILE 130 Ca 0.25 -1.44 -0.01 0.00 -0.12 0.00 0.00 64.86 63.54 1s2o h ILE 130 Cb 0.23 1.35 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 1s2o h ILE 130 CO -0.02 0.47 0.25 0.44 -0.68 0.00 0.00 178.15 178.61 1s2o h ASP 131 N 0.60 0.63 -0.22 1.72 3.32 -1.07 -0.10 116.42 121.29 1s2o h ASP 131 Ca 0.07 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1s2o h ASP 131 Cb 0.82 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1s2o h ASP 131 CO 0.07 0.56 0.14 1.56 -1.72 0.00 0.00 179.24 179.85 1s2o h GLN 132 N 0.64 0.30 -0.29 3.56 4.20 -0.67 -0.05 115.11 122.81 1s2o h GLN 132 Ca 0.17 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1s2o h GLN 132 Cb 0.09 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1s2o h GLN 132 CO -0.02 0.23 0.17 1.25 -0.67 0.00 0.00 178.83 179.79 1s2o h LEU 133 N 0.28 0.36 -0.43 1.46 5.85 -1.05 -1.08 115.31 120.69 1s2o h LEU 133 Ca 0.08 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1s2o h LEU 133 Cb 0.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1s2o h LEU 133 CO -0.02 0.32 0.27 0.74 -0.34 0.00 0.00 178.44 179.41 1s2o h THR 134 N 0.37 1.13 -0.52 1.05 2.02 -0.80 -1.15 112.91 115.00 1s2o h THR 134 Ca 0.10 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1s2o h THR 134 Cb 0.03 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1s2o h THR 134 CO -0.02 0.13 0.11 -0.33 0.37 0.00 0.00 175.52 175.78 1s2o h GLU 135 N 0.58 0.84 -0.30 6.66 3.07 -0.87 -1.54 114.58 123.02 1s2o h GLU 135 Ca 0.16 -0.21 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1s2o h GLU 135 Cb -0.03 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 1s2o h GLU 135 CO -0.03 0.82 0.17 1.98 -1.40 0.00 0.00 179.01 180.55 1s2o h MET 136 N 0.73 0.34 0.00 2.33 -1.53 -0.98 -2.19 114.93 113.63 1s2o h MET 136 Ca 0.16 -0.02 -0.06 0.00 -3.44 0.00 0.00 59.70 56.34 1s2o h MET 136 Cb 0.37 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.33 1s2o h MET 136 CO 0.01 0.22 -0.31 -0.07 0.14 0.00 0.00 176.91 176.90 1s2o h LEU 137 N 0.35 0.00 -0.52 3.39 3.38 -1.05 -1.36 115.31 119.49 1s2o h LEU 137 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1s2o h LEU 137 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1s2o h LEU 137 CO -0.06 0.31 0.00 0.11 0.09 0.00 0.00 178.44 178.89 1s2o h LYS 138 N 0.00 0.00 -0.01 1.13 1.57 -0.68 -2.21 116.57 116.37 1s2o h LYS 138 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s2o h LYS 138 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1s2o h LYS 138 CO 0.04 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 1s2o n GLU 139 N -2.32 1.07 -4.39 3.15 -0.58 -0.51 -4.78 120.64 112.27 1s2o n GLU 139 Ca 0.03 -0.10 -0.27 0.00 -0.42 0.00 0.00 57.16 56.40 1s2o n GLU 139 Cb 0.30 -1.38 -0.09 0.00 -0.57 0.00 0.00 31.44 29.70 1s2o n GLU 139 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1s2o s THR 140 N -1.99 2.04 -2.22 2.62 -4.23 -0.83 -5.03 115.64 106.00 1s2o s THR 140 Ca 0.36 -1.85 0.20 0.00 -1.18 0.00 0.00 61.69 59.22 1s2o s THR 140 Cb 0.17 -2.88 0.46 0.00 1.34 0.00 0.00 72.50 71.58 1s2o s THR 140 CO 0.28 0.00 1.44 0.61 -0.54 0.00 0.00 174.62 176.41 1s2o n GLY 141 N -1.15 1.26 3.68 3.99 0.00 -1.26 -4.92 105.19 106.80 1s2o n GLY 141 Ca -0.05 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1s2o n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s2o s ILE 142 N -1.48 3.94 -1.17 -0.61 1.01 -1.26 -4.92 121.20 116.71 1s2o s ILE 142 Ca 0.36 1.27 -0.18 0.00 0.00 0.00 0.00 60.65 62.10 1s2o s ILE 142 Cb 0.20 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1s2o s ILE 142 CO 0.27 -0.02 2.01 -0.81 0.00 0.00 0.00 174.94 176.39 1s2o n PRO 143 N 5.59 2.31 -4.77 2.79 -0.04 -1.26 -4.90 135.00 134.72 1s2o n PRO 143 Ca 0.13 -2.45 -0.30 0.00 -0.04 0.00 0.00 63.50 60.83 1s2o n PRO 143 Cb 0.44 -3.26 -0.14 0.00 -0.04 0.00 0.00 33.50 30.51 1s2o n PRO 143 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1s2o s VAL 144 N 4.96 2.38 0.01 0.52 0.11 -1.26 -1.12 120.40 126.01 1s2o s VAL 144 Ca 0.54 -1.36 0.08 0.00 -2.93 0.00 0.00 61.98 58.32 1s2o s VAL 144 Cb 0.11 -1.97 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 1s2o s VAL 144 CO 0.04 0.33 -0.25 0.00 -3.33 0.00 0.00 175.10 171.89 1s2o s GLN 145 N -1.39 1.84 -0.22 1.54 -2.07 0.65 -4.74 119.66 115.27 1s2o s GLN 145 Ca 0.13 -0.97 -0.05 0.00 -1.82 0.00 0.00 55.36 52.65 1s2o s GLN 145 Cb -0.10 -1.89 -0.02 0.00 -1.09 0.00 0.00 33.01 29.91 1s2o s GLN 145 CO 0.04 0.50 0.00 0.08 -1.32 0.00 0.00 175.29 174.59 1s2o s VAL 146 N -0.68 3.82 -0.26 3.63 1.01 -1.26 -1.64 120.40 125.02 1s2o s VAL 146 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1s2o s VAL 146 Cb -0.10 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1s2o s VAL 146 CO 0.00 0.40 -0.04 -0.63 0.00 0.00 0.00 175.10 174.84 1s2o s ILE 147 N 1.35 3.04 -0.24 2.22 1.01 0.08 -4.97 121.20 123.69 1s2o s ILE 147 Ca 0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 1s2o s ILE 147 Cb -0.15 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 1s2o s ILE 147 CO 0.00 0.16 0.03 0.12 0.00 0.00 0.00 174.94 175.26 1s2o s PHE 148 N 1.34 3.05 0.11 3.97 5.36 -1.26 -0.97 117.98 129.59 1s2o s PHE 148 Ca 0.00 -0.64 0.05 0.00 -0.96 0.00 0.00 56.93 55.38 1s2o s PHE 148 Cb -0.17 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.28 1s2o s PHE 148 CO -0.03 -0.44 -0.12 -1.54 -1.46 0.00 0.00 175.22 171.63 1s2o s SER 149 N 1.56 1.74 -1.22 6.13 1.04 -0.09 -4.79 113.70 118.07 1s2o s SER 149 Ca 0.06 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1s2o s SER 149 Cb -0.15 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1s2o s SER 149 CO 0.01 -0.21 0.00 -1.20 0.98 0.00 0.00 173.24 172.82 1s2o n SER 150 N 0.48 -3.88 -0.85 7.02 7.64 -1.26 -1.39 113.62 121.38 1s2o n SER 150 Ca -0.15 0.29 -0.11 0.00 1.01 0.00 0.00 58.87 59.90 1s2o n SER 150 Cb 0.58 -3.33 -0.05 0.00 -1.01 0.00 0.00 64.21 60.40 1s2o n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s2o n GLY 151 N -0.07 1.13 0.00 0.23 0.00 -1.26 -4.69 105.19 100.52 1s2o n GLY 151 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1s2o n GLY 151 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s2o n LYS 152 N -1.51 0.00 -3.46 1.61 0.00 -0.61 -4.86 118.16 109.33 1s2o n LYS 152 Ca -0.11 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.82 1s2o n LYS 152 Cb 0.51 -0.36 -0.06 0.00 -0.00 0.00 0.00 35.03 35.11 1s2o n LYS 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1s2o s ASP 153 N -1.49 6.70 -0.11 -5.58 1.01 -0.49 0.16 116.67 116.87 1s2o s ASP 153 Ca 0.00 0.83 0.01 0.00 0.71 0.00 0.00 52.55 54.09 1s2o s ASP 153 Cb 0.00 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 41.71 1s2o s ASP 153 CO 0.00 0.19 -0.12 -0.69 0.21 0.00 0.00 175.17 174.77 1s2o s VAL 154 N -0.31 1.27 -0.07 -1.27 1.01 0.02 -0.92 120.40 120.13 1s2o s VAL 154 Ca 0.23 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1s2o s VAL 154 Cb -0.15 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1s2o s VAL 154 CO 0.10 0.40 -0.20 -1.81 0.00 0.00 0.00 175.10 173.59 1s2o s ASP 155 N 1.27 3.45 -0.22 3.32 1.01 -0.14 -0.40 116.67 124.96 1s2o s ASP 155 Ca -0.02 -0.41 -0.04 0.00 0.71 0.00 0.00 52.55 52.79 1s2o s ASP 155 Cb -0.14 -1.00 -0.01 0.00 1.01 0.00 0.00 42.92 42.79 1s2o s ASP 155 CO -0.05 0.25 -0.05 -0.76 0.21 0.00 0.00 175.17 174.77 1s2o s LEU 156 N -0.18 2.86 0.09 1.23 1.02 0.32 -0.74 118.68 123.28 1s2o s LEU 156 Ca -0.02 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.71 1s2o s LEU 156 Cb -0.14 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 1s2o s LEU 156 CO 0.03 -0.02 -0.03 -0.76 0.02 0.00 0.00 176.35 175.60 1s2o s LEU 157 N 1.47 2.35 0.54 1.79 1.43 -0.65 -1.53 118.68 124.08 1s2o s LEU 157 Ca 0.06 -1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 51.90 1s2o s LEU 157 Cb -0.14 0.10 -0.05 0.00 0.03 0.00 0.00 46.19 46.13 1s2o s LEU 157 CO -0.04 -0.57 1.23 -2.84 0.23 0.00 0.00 176.35 174.36 1s2o s PRO 158 N -3.91 3.25 0.55 1.29 0.02 -1.26 -0.26 135.00 134.68 1s2o s PRO 158 Ca 0.13 1.91 0.25 0.00 0.02 0.00 0.00 61.00 63.30 1s2o s PRO 158 Cb 0.07 -2.15 1.58 0.00 0.02 0.00 0.00 34.50 34.02 1s2o s PRO 158 CO -0.05 -1.01 2.19 1.96 -0.33 0.00 0.00 177.00 179.76 1s2o h GLN 159 N 1.36 0.00 0.00 5.54 4.20 -1.41 -0.95 115.11 123.85 1s2o h GLN 159 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1s2o h GLN 159 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1s2o h GLN 159 CO 0.57 0.03 0.00 0.54 -0.67 0.00 0.00 178.83 179.30 1s2o n ARG 160 N -4.05 0.19 -3.02 1.46 1.74 -1.26 -4.77 116.66 106.95 1s2o n ARG 160 Ca -0.03 0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 56.94 1s2o n ARG 160 Cb 0.11 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 29.69 1s2o n ARG 160 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1s2o s SER 161 N -4.18 6.48 -0.03 0.55 0.15 -0.36 -4.77 113.70 111.54 1s2o s SER 161 Ca 0.07 0.21 -0.30 0.00 0.70 0.00 0.00 55.95 56.63 1s2o s SER 161 Cb 0.11 -2.37 0.11 0.00 -1.71 0.00 0.00 66.02 62.16 1s2o s SER 161 CO 0.46 -0.70 1.01 0.54 1.20 0.00 0.00 173.24 175.76 1s2o s ASN 162 N 1.85 -0.26 0.23 5.45 2.20 -1.12 -4.76 114.94 118.54 1s2o s ASN 162 Ca 0.28 -0.07 -0.07 0.00 -0.94 0.00 0.00 52.86 52.07 1s2o s ASN 162 Cb -0.14 0.32 0.35 0.00 -2.00 0.00 0.00 41.25 39.78 1s2o s ASN 162 CO 0.17 -0.53 1.78 0.50 -2.94 0.00 0.00 177.10 176.07 1s2o h LYS 163 N 2.00 0.59 -0.43 3.55 3.64 -1.90 -1.64 116.57 122.38 1s2o h LYS 163 Ca -0.20 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1s2o h LYS 163 Cb 1.22 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1s2o h LYS 163 CO 0.28 0.39 0.08 0.78 -2.27 0.00 0.00 179.45 178.71 1s2o h GLY 164 N 0.60 0.76 1.12 5.01 0.00 -1.91 -1.20 103.07 107.44 1s2o h GLY 164 Ca 0.36 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1s2o h GLY 164 CO -0.27 0.46 0.08 3.43 0.00 0.00 0.00 176.54 180.23 1s2o h ASN 165 N 0.57 1.03 -0.52 0.19 2.35 -1.80 -0.40 115.58 116.99 1s2o h ASN 165 Ca 0.13 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1s2o h ASN 165 Cb 0.35 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1s2o h ASN 165 CO 0.01 1.04 0.06 0.00 -1.65 0.00 0.00 177.43 176.89 1s2o h ALA 166 N 1.07 1.05 -0.38 -0.83 0.00 -1.17 -0.80 119.26 118.20 1s2o h ALA 166 Ca 0.19 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1s2o h ALA 166 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1s2o h ALA 166 CO 0.02 0.61 -0.01 1.15 0.00 0.00 0.00 179.25 181.01 1s2o h THR 167 N 0.87 1.26 -0.72 0.00 2.02 -0.83 -0.66 112.91 114.86 1s2o h THR 167 Ca 0.17 -1.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1s2o h THR 167 Cb 0.42 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1s2o h THR 167 CO 0.01 0.34 0.23 1.56 0.37 0.00 0.00 175.52 178.04 1s2o h GLN 168 N 0.50 1.11 -0.12 6.66 4.20 -0.86 -0.73 115.11 125.87 1s2o h GLN 168 Ca 0.11 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1s2o h GLN 168 Cb 0.49 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1s2o h GLN 168 CO 0.02 0.94 0.06 -0.92 -0.67 0.00 0.00 178.83 178.26 1s2o h TYR 169 N 1.07 0.17 -0.67 2.96 3.20 -0.91 -2.46 116.97 120.32 1s2o h TYR 169 Ca 0.23 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.11 1s2o h TYR 169 Cb 0.29 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1s2o h TYR 169 CO 0.02 0.21 0.44 1.25 -1.64 0.00 0.00 178.16 178.45 1s2o h LEU 170 N 0.07 0.76 -0.27 2.82 5.85 -0.77 0.44 115.31 124.20 1s2o h LEU 170 Ca 0.04 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1s2o h LEU 170 Cb 0.10 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1s2o h LEU 170 CO -0.01 0.54 0.05 -0.61 -0.34 0.00 0.00 178.44 178.08 1s2o h GLN 171 N 0.90 0.15 -0.13 1.25 4.15 -0.99 -0.28 115.11 120.16 1s2o h GLN 171 Ca 0.25 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.52 1s2o h GLN 171 Cb -0.08 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1s2o h GLN 171 CO -0.06 0.10 -0.55 0.37 -1.93 0.00 0.00 178.83 176.76 1s2o h GLN 172 N 0.16 0.38 -0.38 1.69 -0.00 -1.15 -1.72 115.11 114.08 1s2o h GLN 172 Ca 0.13 -0.24 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1s2o h GLN 172 Cb 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.62 1s2o h GLN 172 CO -0.17 0.83 0.25 1.25 0.00 0.00 0.00 178.83 180.98 1s2o h HIS 173 N 0.29 0.49 -0.00 3.99 2.76 -0.43 -1.94 115.15 120.31 1s2o h HIS 173 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1s2o h HIS 173 Cb 1.05 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.85 1s2o h HIS 173 CO 0.03 0.32 -0.01 1.28 -1.30 0.00 0.00 177.93 178.25 1s2o n LEU 174 N -4.81 0.23 -3.72 0.26 4.77 -0.16 -4.91 117.00 108.66 1s2o n LEU 174 Ca 0.00 -0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.70 1s2o n LEU 174 Cb 0.03 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1s2o n LEU 174 CO 0.35 0.04 0.18 0.00 -1.33 0.00 0.00 177.39 176.62 1s2o n ALA 175 N -0.90 -1.28 -2.63 -1.18 0.00 -0.73 -4.07 120.51 109.72 1s2o n ALA 175 Ca 0.21 0.31 -0.37 0.00 0.00 0.00 0.00 53.44 53.58 1s2o n ALA 175 Cb 0.18 -5.01 -0.06 0.00 0.00 0.00 0.00 19.45 14.56 1s2o n ALA 175 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1s2o s MET 176 N -6.43 3.92 0.55 0.00 -1.94 -0.71 -4.74 119.30 109.95 1s2o s MET 176 Ca 0.61 0.25 -0.15 0.00 -1.71 0.00 0.00 55.69 54.69 1s2o s MET 176 Cb -0.29 -3.27 -0.06 0.00 2.01 0.00 0.00 34.83 33.22 1s2o s MET 176 CO 0.76 0.58 1.00 -1.21 -0.01 0.00 0.00 175.02 176.14 1s2o s GLU 177 N -0.64 3.78 0.28 2.03 0.41 -1.26 -4.70 118.70 118.59 1s2o s GLU 177 Ca 0.21 0.95 0.01 0.00 -0.41 0.00 0.00 54.97 55.73 1s2o s GLU 177 Cb -0.15 -2.11 0.56 0.00 -1.78 0.00 0.00 34.13 30.65 1s2o s GLU 177 CO 0.09 -0.42 1.83 -1.35 -0.49 0.00 0.00 175.26 174.92 1s2o h PRO 178 N 0.58 0.93 0.00 0.39 0.11 -1.95 0.40 132.00 132.46 1s2o h PRO 178 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1s2o h PRO 178 Cb 1.19 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1s2o h PRO 178 CO 0.61 0.61 0.00 0.66 -0.21 0.00 0.00 178.00 179.67 1s2o h SER 179 N 0.96 0.00 -0.38 -2.05 4.64 -1.93 -2.16 113.55 112.62 1s2o h SER 179 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1s2o h SER 179 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1s2o h SER 179 CO -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.68 1s2o n GLN 180 N -2.47 2.43 -4.75 4.77 6.02 0.11 -4.92 117.38 118.57 1s2o n GLN 180 Ca 0.01 -2.23 -0.33 0.00 -0.01 0.00 0.00 57.00 54.44 1s2o n GLN 180 Cb 0.21 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 29.86 1s2o n GLN 180 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1s2o s THR 181 N -1.38 3.36 -0.12 5.09 2.01 -0.81 -0.60 115.64 123.19 1s2o s THR 181 Ca 0.36 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1s2o s THR 181 Cb 0.21 -2.36 0.04 0.00 0.01 0.00 0.00 72.50 70.40 1s2o s THR 181 CO 0.29 0.58 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.57 1s2o s LEU 182 N -0.57 0.96 0.00 4.42 2.96 -0.22 -0.92 118.68 125.30 1s2o s LEU 182 Ca 0.08 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1s2o s LEU 182 Cb -0.12 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 1s2o s LEU 182 CO 0.02 -0.20 0.15 0.68 -1.32 0.00 0.00 176.35 175.67 1s2o s VAL 183 N 1.85 5.16 -0.05 1.68 -7.23 -0.03 -0.99 120.40 120.80 1s2o s VAL 183 Ca 0.03 -0.29 0.02 0.00 -1.81 0.00 0.00 61.98 59.93 1s2o s VAL 183 Cb -0.14 -3.41 0.01 0.00 0.56 0.00 0.00 36.38 33.41 1s2o s VAL 183 CO -0.07 0.31 -0.09 0.00 -0.31 0.00 0.00 175.10 174.94 1s2o s GLY 185 N 0.66 0.37 0.00 0.00 0.00 -1.02 -1.62 107.32 105.70 1s2o s GLY 185 Ca -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1s2o s GLY 185 CO 0.02 -0.38 0.00 2.09 0.00 0.00 0.00 173.10 174.83 1s2o n ASP 186 N -0.82 0.31 -4.75 1.64 5.75 -1.26 -2.46 116.55 114.95 1s2o n ASP 186 Ca -0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.48 1s2o n ASP 186 Cb 0.60 0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 40.68 1s2o n ASP 186 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1s2o s SER 187 N -0.34 4.39 0.56 -1.12 1.04 -1.26 0.34 113.70 117.30 1s2o s SER 187 Ca 0.00 -1.15 0.23 0.00 0.48 0.00 0.00 55.95 55.51 1s2o s SER 187 Cb 0.00 -0.31 1.54 0.00 0.10 0.00 0.00 66.02 67.34 1s2o s SER 187 CO 0.00 -0.62 2.18 1.23 0.98 0.00 0.00 173.24 177.02 1s2o h GLY 188 N 1.37 0.00 1.47 7.32 0.00 -1.88 0.13 103.07 111.48 1s2o h GLY 188 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1s2o h GLY 188 CO 0.70 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.94 1s2o n ASN 189 N -4.19 0.00 -0.86 0.19 4.13 -1.26 -2.22 115.26 111.04 1s2o n ASN 189 Ca -0.02 -0.15 0.12 0.00 1.68 0.00 0.00 54.58 56.21 1s2o n ASN 189 Cb 0.13 -0.24 0.14 0.00 -1.54 0.00 0.00 39.78 38.27 1s2o n ASN 189 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1s2o n ASP 190 N -1.24 2.75 -0.26 6.41 8.00 0.44 -4.37 116.55 128.29 1s2o n ASP 190 Ca 0.12 -1.90 0.06 0.00 0.71 0.00 0.00 54.79 53.78 1s2o n ASP 190 Cb 0.16 0.04 0.30 0.00 -0.02 0.00 0.00 41.12 41.60 1s2o n ASP 190 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1s2o h ILE 191 N 4.24 1.01 -0.58 0.53 2.04 -1.52 0.16 117.51 123.40 1s2o h ILE 191 Ca 0.00 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1s2o h ILE 191 Cb 0.92 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1s2o h ILE 191 CO 0.00 0.16 0.38 1.23 0.00 0.00 0.00 178.15 179.92 1s2o h GLY 192 N 0.89 0.76 0.98 5.37 0.00 -1.82 -1.23 103.07 108.02 1s2o h GLY 192 Ca 0.38 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1s2o h GLY 192 CO -0.14 0.23 0.23 1.41 0.00 0.00 0.00 176.54 178.27 1s2o h LEU 193 N 0.67 0.76 0.00 3.11 3.38 -1.26 -2.49 115.31 119.48 1s2o h LEU 193 Ca 0.23 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s2o h LEU 193 Cb 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1s2o h LEU 193 CO -0.06 0.72 0.00 0.49 0.09 0.00 0.00 178.44 179.68 1s2o n PHE 194 N -4.51 0.00 1.39 1.13 3.01 -0.52 -1.79 117.46 116.17 1s2o n PHE 194 Ca 0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.62 1s2o n PHE 194 Cb 0.16 -0.32 0.44 0.00 -0.01 0.00 0.00 39.48 39.75 1s2o n PHE 194 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1s2o n GLU 195 N -1.32 1.53 -2.57 -1.08 1.02 -0.87 -4.87 120.64 112.48 1s2o n GLU 195 Ca 0.09 -0.94 -0.35 0.00 -0.02 0.00 0.00 57.16 55.94 1s2o n GLU 195 Cb 0.18 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 1s2o n GLU 195 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1s2o s THR 196 N -2.12 3.83 -0.88 2.62 2.01 -0.74 -4.94 115.64 115.42 1s2o s THR 196 Ca 0.34 1.21 -0.25 0.00 0.31 0.00 0.00 61.69 63.29 1s2o s THR 196 Cb 0.20 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 69.21 1s2o s THR 196 CO 0.38 -0.18 1.47 -0.44 -0.69 0.00 0.00 174.62 175.17 1s2o s SER 197 N -1.88 6.14 0.09 3.53 0.01 -1.26 -4.84 113.70 115.49 1s2o s SER 197 Ca 0.64 -0.88 -0.27 0.00 1.31 0.00 0.00 55.95 56.76 1s2o s SER 197 Cb -0.17 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.58 1s2o s SER 197 CO 0.21 -1.82 1.09 0.00 0.41 0.00 0.00 173.24 173.13 1s2o s ALA 198 N 6.10 -1.88 0.42 1.44 0.00 -1.26 -4.25 121.76 122.33 1s2o s ALA 198 Ca 0.46 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 1s2o s ALA 198 Cb -0.05 0.56 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 1s2o s ALA 198 CO 0.02 -1.05 0.80 1.03 0.00 0.00 0.00 175.76 176.55 1s2o s ARG 199 N -2.83 3.78 0.07 0.00 0.52 -0.10 -4.84 118.95 115.55 1s2o s ARG 199 Ca 0.14 0.51 -0.10 0.00 -0.52 0.00 0.00 55.73 55.76 1s2o s ARG 199 Cb 0.01 -2.36 0.01 0.00 0.52 0.00 0.00 34.95 33.12 1s2o s ARG 199 CO 0.00 -0.07 0.23 0.20 0.02 0.00 0.00 175.30 175.68 1s2o s GLY 200 N -3.20 0.01 -0.08 -3.53 0.00 0.44 -0.85 107.32 100.11 1s2o s GLY 200 Ca 0.52 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.87 1s2o s GLY 200 CO 0.32 -0.58 -0.12 0.54 0.00 0.00 0.00 173.10 173.25 1s2o s VAL 201 N -3.36 1.20 -0.32 1.40 0.11 0.13 -0.48 120.40 119.08 1s2o s VAL 201 Ca 0.01 -0.49 -0.12 0.00 -2.93 0.00 0.00 61.98 58.44 1s2o s VAL 201 Cb 0.02 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1s2o s VAL 201 CO -0.08 0.37 0.24 -0.63 -3.33 0.00 0.00 175.10 171.67 1s2o s ILE 202 N 0.81 5.28 0.60 7.04 1.01 -0.23 -2.43 121.20 133.29 1s2o s ILE 202 Ca -0.12 -0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 1s2o s ILE 202 Cb -0.15 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1s2o s ILE 202 CO 0.02 0.07 1.19 0.68 0.00 0.00 0.00 174.94 176.91 1s2o s VAL 203 N 1.77 2.71 0.49 2.92 -7.23 -1.03 -2.34 120.40 117.68 1s2o s VAL 203 Ca 0.07 0.43 0.17 0.00 -1.81 0.00 0.00 61.98 60.84 1s2o s VAL 203 Cb -0.17 -3.15 0.31 0.00 0.56 0.00 0.00 36.38 33.94 1s2o s VAL 203 CO 0.11 -0.10 2.06 -0.09 -0.31 0.00 0.00 175.10 176.77 1s2o h ARG 204 N 0.83 0.16 -0.88 4.82 9.65 -1.49 -1.07 114.38 126.40 1s2o h ARG 204 Ca -0.50 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 1s2o h ARG 204 Cb 1.29 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 1s2o h ARG 204 CO 0.55 0.11 0.01 0.27 2.80 0.00 0.00 179.97 183.71 1s2o n ASN 205 N -4.48 2.52 -4.72 -3.80 6.94 -1.26 -4.95 115.26 105.50 1s2o n ASN 205 Ca 0.04 -2.30 -0.38 0.00 -0.02 0.00 0.00 54.58 51.92 1s2o n ASN 205 Cb 0.27 -0.56 0.05 0.00 -2.36 0.00 0.00 39.78 37.19 1s2o n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s2o n ALA 206 N 0.18 1.22 -1.74 -2.53 0.00 -0.41 -4.99 120.51 112.25 1s2o n ALA 206 Ca 0.09 0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 1s2o n ALA 206 Cb 0.56 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 1s2o n ALA 206 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s2o s GLN 207 N -3.03 3.59 0.30 0.00 -1.52 0.15 -4.85 119.66 114.30 1s2o s GLN 207 Ca 0.76 1.25 0.06 0.00 -1.95 0.00 0.00 55.36 55.48 1s2o s GLN 207 Cb -0.41 -2.07 0.76 0.00 -0.22 0.00 0.00 33.01 31.08 1s2o s GLN 207 CO 0.46 -0.59 1.75 -1.35 -0.25 0.00 0.00 175.29 175.31 1s2o h PRO 208 N 0.98 0.65 -1.01 2.91 0.11 -1.94 -1.20 132.00 132.51 1s2o h PRO 208 Ca -0.48 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.65 1s2o h PRO 208 Cb 1.22 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1s2o h PRO 208 CO 0.58 0.43 0.65 1.49 -0.21 0.00 0.00 178.00 180.95 1s2o h GLU 209 N 0.67 1.16 -0.19 1.05 4.81 -1.94 0.26 114.58 120.40 1s2o h GLU 209 Ca 0.59 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.54 1s2o h GLU 209 Cb 0.99 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 30.11 1s2o h GLU 209 CO -0.42 0.77 -0.70 1.25 -0.73 0.00 0.00 179.01 179.18 1s2o h LEU 210 N 1.20 0.91 -0.71 1.64 5.85 -1.49 -2.45 115.31 120.25 1s2o h LEU 210 Ca 0.43 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1s2o h LEU 210 Cb 0.14 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1s2o h LEU 210 CO -0.17 1.36 0.38 -0.07 -0.34 0.00 0.00 178.44 179.60 1s2o h LEU 211 N 0.56 0.90 -0.99 2.25 3.38 -0.63 0.28 115.31 121.06 1s2o h LEU 211 Ca -0.03 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1s2o h LEU 211 Cb 1.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1s2o h LEU 211 CO 0.15 0.75 -0.09 0.45 0.09 0.00 0.00 178.44 179.79 1s2o h HIS 212 N 0.98 0.68 -0.15 1.13 3.86 -0.49 -0.02 115.15 121.14 1s2o h HIS 212 Ca 0.25 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1s2o h HIS 212 Cb 0.06 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1s2o h HIS 212 CO -0.00 0.70 0.04 2.35 0.86 0.00 0.00 177.93 181.88 1s2o h TRP 213 N 0.58 0.24 -0.27 2.45 7.01 -0.90 -2.80 115.95 122.25 1s2o h TRP 213 Ca 0.11 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.12 1s2o h TRP 213 Cb 0.50 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 1s2o h TRP 213 CO 0.02 0.35 0.08 -0.92 -2.79 0.00 0.00 178.44 175.19 1s2o h TYR 214 N 0.05 0.15 0.00 2.65 3.20 -0.53 0.34 116.97 122.82 1s2o h TYR 214 Ca 0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1s2o h TYR 214 Cb 0.23 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1s2o h TYR 214 CO 0.00 0.06 -0.01 -0.44 -1.64 0.00 0.00 178.16 176.13 1s2o h ASP 215 N 0.20 0.00 0.03 -2.11 3.32 -0.96 -0.06 116.42 116.83 1s2o h ASP 215 Ca 0.12 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.78 1s2o h ASP 215 Cb 0.10 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 1s2o h ASP 215 CO -0.14 0.01 -2.31 0.00 -1.72 0.00 0.00 179.24 175.08 1s2o n GLN 216 N -4.42 0.66 0.00 3.56 3.00 -0.95 -4.73 117.38 114.51 1s2o n GLN 216 Ca -0.03 0.22 0.04 0.00 -0.01 0.00 0.00 57.00 57.22 1s2o n GLN 216 Cb 0.10 -1.57 -0.04 0.00 0.00 0.00 0.00 30.24 28.73 1s2o n GLN 216 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1s2o n TRP 217 N -3.54 0.00 -1.99 1.08 7.02 0.11 -5.03 117.44 115.10 1s2o n TRP 217 Ca -0.44 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.66 1s2o n TRP 217 Cb 0.97 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.87 1s2o n TRP 217 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1s2o s GLY 218 N -1.77 2.87 0.00 6.99 0.00 -0.04 -4.99 107.32 110.38 1s2o s GLY 218 Ca 0.04 1.21 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1s2o s GLY 218 CO 0.35 1.73 0.00 2.09 0.00 0.00 0.00 173.10 177.28 1s2o n ASP 219 N -0.49 1.16 0.18 1.64 5.68 -1.26 -4.97 116.55 118.49 1s2o n ASP 219 Ca 0.07 -0.55 0.18 0.00 -0.50 0.00 0.00 54.79 53.99 1s2o n ASP 219 Cb 0.45 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.24 1s2o n ASP 219 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1s2o h SER 220 N 0.00 0.00 1.16 -1.12 4.64 -2.02 -0.72 113.55 115.49 1s2o h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s2o h SER 220 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s2o h SER 220 CO 0.00 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 175.99 1s2o h ARG 221 N 0.00 0.00 -4.76 4.77 3.08 -1.94 -3.43 114.38 112.10 1s2o h ARG 221 Ca 0.11 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.48 1s2o h ARG 221 Cb 0.69 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.51 1s2o h ARG 221 CO -0.00 0.00 -0.56 -1.01 -1.07 0.00 0.00 179.97 177.32 1s2o s HIS 222 N -3.24 3.18 -0.22 3.04 3.76 -0.28 -0.42 115.29 121.11 1s2o s HIS 222 Ca 0.07 -0.71 -0.14 0.00 -0.15 0.00 0.00 55.06 54.13 1s2o s HIS 222 Cb 0.10 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 1s2o s HIS 222 CO 0.51 -0.51 0.31 -0.47 -0.85 0.00 0.00 174.74 173.73 1s2o s TYR 223 N 1.58 3.34 -0.91 1.40 6.14 0.37 -4.76 117.35 124.52 1s2o s TYR 223 Ca 0.04 0.46 -0.18 0.00 0.64 0.00 0.00 57.07 58.03 1s2o s TYR 223 Cb -0.17 -2.44 0.14 0.00 0.42 0.00 0.00 41.96 39.91 1s2o s TYR 223 CO 0.05 0.00 1.09 0.50 0.64 0.00 0.00 175.55 177.84 1s2o s ARG 224 N 1.27 3.58 0.57 4.97 6.06 -1.26 -1.06 118.95 133.07 1s2o s ARG 224 Ca 0.15 -1.79 -0.21 0.00 -2.50 0.00 0.00 55.73 51.37 1s2o s ARG 224 Cb -0.14 -4.85 -0.04 0.00 0.06 0.00 0.00 34.95 29.98 1s2o s ARG 224 CO 0.07 -1.73 1.34 0.00 -2.50 0.00 0.00 175.30 172.48 1s2o s ALA 225 N 2.50 2.72 0.06 6.12 0.00 -0.99 -4.94 121.76 127.23 1s2o s ALA 225 Ca 0.31 1.30 -0.04 0.00 0.00 0.00 0.00 51.96 53.53 1s2o s ALA 225 Cb -0.06 -3.56 -0.28 0.00 0.00 0.00 0.00 23.12 19.22 1s2o s ALA 225 CO -0.09 -1.42 1.08 1.96 0.00 0.00 0.00 175.76 177.29 1s2o h GLN 226 N 1.25 0.27 -7.05 0.00 1.08 -1.95 -3.33 115.11 105.37 1s2o h GLN 226 Ca -0.51 -0.46 -0.50 0.00 -1.45 0.00 0.00 58.65 55.73 1s2o h GLN 226 Cb 1.31 0.17 0.03 0.00 -0.05 0.00 0.00 27.48 28.94 1s2o h GLN 226 CO 0.56 1.20 0.22 0.45 -0.95 0.00 0.00 178.83 180.31 1s2o s SER 227 N -7.11 6.35 0.35 1.46 0.15 -1.26 -4.73 113.70 108.91 1s2o s SER 227 Ca -0.05 1.17 0.07 0.00 0.70 0.00 0.00 55.95 57.84 1s2o s SER 227 Cb 0.07 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 62.01 1s2o s SER 227 CO 0.88 -0.61 0.42 -0.94 1.20 0.00 0.00 173.24 174.18 1s2o s SER 228 N -3.79 5.64 0.40 5.45 1.04 -1.26 -1.87 113.70 119.31 1s2o s SER 228 Ca 0.51 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1s2o s SER 228 Cb -0.10 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 64.99 1s2o s SER 228 CO 0.43 -0.46 0.00 1.41 0.98 0.00 0.00 173.24 175.59 1s2o n HIS 229 N -1.57 0.00 0.22 5.02 8.25 -1.26 -1.90 115.22 123.97 1s2o n HIS 229 Ca 0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 1s2o n HIS 229 Cb 0.59 0.02 0.76 0.00 1.12 0.00 0.00 29.99 32.47 1s2o n HIS 229 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s2o h ALA 230 N -0.35 1.91 -0.21 -1.41 0.00 -1.41 -1.20 119.26 116.59 1s2o h ALA 230 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1s2o h ALA 230 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1s2o h ALA 230 CO 0.00 -0.16 0.14 0.78 0.00 0.00 0.00 179.25 180.01 1s2o h GLY 231 N 0.00 0.28 1.82 0.00 0.00 -1.63 -1.25 103.07 102.30 1s2o h GLY 231 Ca 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1s2o h GLY 231 CO -0.00 0.10 -0.31 0.00 0.00 0.00 0.00 176.54 176.33 1s2o h ALA 232 N 1.87 1.27 -0.25 3.60 0.00 -1.13 -1.78 119.26 122.84 1s2o h ALA 232 Ca 0.08 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1s2o h ALA 232 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1s2o h ALA 232 CO -0.02 0.50 -0.42 0.82 0.00 0.00 0.00 179.25 180.13 1s2o h ILE 233 N 0.18 1.30 -0.51 0.00 2.04 -1.32 -0.50 117.51 118.71 1s2o h ILE 233 Ca 0.02 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.25 1s2o h ILE 233 Cb 0.65 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1s2o h ILE 233 CO 0.05 0.51 0.27 -0.07 0.00 0.00 0.00 178.15 178.91 1s2o h LEU 234 N 0.45 0.65 -0.57 1.44 3.38 -1.32 -0.64 115.31 118.70 1s2o h LEU 234 Ca 0.02 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1s2o h LEU 234 Cb 1.01 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1s2o h LEU 234 CO 0.09 0.57 0.34 -0.08 0.09 0.00 0.00 178.44 179.46 1s2o h GLU 235 N 0.68 0.66 -0.39 1.13 4.81 -1.20 -2.29 114.58 117.97 1s2o h GLU 235 Ca 0.18 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1s2o h GLU 235 Cb 0.08 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1s2o h GLU 235 CO -0.03 0.43 -0.25 0.00 -0.73 0.00 0.00 179.01 178.44 1s2o h ALA 236 N 1.26 0.82 -0.64 2.92 0.00 -0.76 0.05 119.26 122.91 1s2o h ALA 236 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s2o h ALA 236 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1s2o h ALA 236 CO -0.11 0.64 0.42 0.82 0.00 0.00 0.00 179.25 181.03 1s2o h ILE 237 N 0.69 1.17 -0.17 0.00 2.04 -0.78 0.65 117.51 121.11 1s2o h ILE 237 Ca 0.09 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1s2o h ILE 237 Cb 0.78 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1s2o h ILE 237 CO 0.06 0.17 -0.12 0.00 0.00 0.00 0.00 178.15 178.26 1s2o h ALA 238 N 1.23 0.24 -0.63 1.87 0.00 -1.26 0.18 119.26 120.89 1s2o h ALA 238 Ca 0.23 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1s2o h ALA 238 Cb -0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1s2o h ALA 238 CO -0.05 0.09 0.34 1.25 0.00 0.00 0.00 179.25 180.88 1s2o h HIS 239 N 0.04 0.62 -0.16 0.00 -0.00 -0.67 -1.83 115.15 113.16 1s2o h HIS 239 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1s2o h HIS 239 Cb 0.62 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1s2o h HIS 239 CO 0.07 0.29 0.00 1.19 -0.00 0.00 0.00 177.93 179.48 1s2o n PHE 240 N -4.82 0.20 -3.61 5.26 0.99 0.19 -4.94 117.46 110.73 1s2o n PHE 240 Ca 0.08 -0.10 -0.23 0.00 -0.00 0.00 0.00 57.45 57.20 1s2o n PHE 240 Cb 0.18 0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.73 1s2o n PHE 240 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1s2o n ASP 241 N 0.14 -4.75 -4.87 4.37 2.03 -0.69 -5.00 116.55 107.78 1s2o n ASP 241 Ca 0.15 -0.62 -0.32 0.00 0.52 0.00 0.00 54.79 54.52 1s2o n ASP 241 Cb 0.27 -4.82 -0.06 0.00 -0.72 0.00 0.00 41.12 35.80 1s2o n ASP 241 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1s2o s PHE 242 N -3.35 3.44 -0.12 -0.67 0.08 0.00 -4.31 117.98 113.06 1s2o s PHE 242 Ca 0.42 0.94 0.00 0.00 0.12 0.00 0.00 56.93 58.41 1s2o s PHE 242 Cb -0.19 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1s2o s PHE 242 CO 0.75 0.27 0.00 1.28 -0.10 0.00 0.00 175.22 177.42 1s2o n LEU 243 N -0.02 0.85 0.00 -0.37 4.77 -1.26 -4.70 117.00 116.26 1s2o n LEU 243 Ca -0.00 0.03 0.10 0.00 -0.03 0.00 0.00 56.01 56.11 1s2o n LEU 243 Cb 0.52 -2.48 0.62 0.00 -2.33 0.00 0.00 43.42 39.75 1s2o n LEU 243 CO 0.44 -0.98 0.81 -1.54 -1.33 0.00 0.00 177.39 174.79