#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x22 s GLY 3 N 0.00 2.52 0.38 3.41 0.00 -1.26 -4.96 107.32 107.41 2x22 s GLY 3 Ca 0.00 0.11 0.21 0.00 0.00 0.00 0.00 44.72 45.04 2x22 s GLY 3 CO 0.00 0.41 1.64 -2.00 0.00 0.00 0.00 173.10 173.15 2x22 h LEU 4 N 3.05 0.39 -3.07 0.66 6.46 -1.92 -2.41 115.31 118.47 2x22 h LEU 4 Ca -0.48 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.46 2x22 h LEU 4 Cb 1.19 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 41.27 2x22 h LEU 4 CO 0.65 -0.21 -0.05 0.18 -0.62 0.00 0.00 178.44 178.39 2x22 n LEU 5 N -4.97 2.78 -4.68 2.25 4.32 -0.07 -4.78 117.00 111.85 2x22 n LEU 5 Ca 0.35 -3.19 -0.47 0.00 -0.02 0.00 0.00 56.01 52.68 2x22 n LEU 5 Cb 1.19 -0.47 -0.04 0.00 -1.62 0.00 0.00 43.42 42.47 2x22 n LEU 5 CO 0.12 0.80 1.47 -0.67 -1.22 0.00 0.00 177.39 177.89 2x22 n ASP 6 N -1.21 3.55 0.00 -1.43 -0.08 -0.73 -1.28 116.55 115.38 2x22 n ASP 6 Ca 0.18 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.44 2x22 n ASP 6 Cb 0.71 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.76 2x22 n ASP 6 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2x22 n GLY 7 N 4.30 1.54 3.81 0.27 0.00 -1.17 -4.97 105.19 108.96 2x22 n GLY 7 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2x22 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x22 s LYS 8 N -0.40 4.36 -0.25 1.61 1.02 -0.40 -4.86 119.74 120.82 2x22 s LYS 8 Ca 0.00 1.13 -0.05 0.00 0.02 0.00 0.00 55.97 57.06 2x22 s LYS 8 Cb 0.00 -2.58 -0.00 0.00 -0.52 0.00 0.00 37.83 34.73 2x22 s LYS 8 CO 0.00 0.19 0.02 1.03 -0.92 0.00 0.00 175.35 175.67 2x22 s ARG 9 N -2.49 3.29 -0.09 1.68 0.52 -1.26 -0.09 118.95 120.52 2x22 s ARG 9 Ca 0.53 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 2x22 s ARG 9 Cb -0.14 -3.19 0.02 0.00 0.52 0.00 0.00 34.95 32.15 2x22 s ARG 9 CO 0.19 -0.30 -0.12 0.42 0.02 0.00 0.00 175.30 175.52 2x22 s ILE 10 N 1.50 1.22 -0.14 1.52 1.01 -0.03 -0.11 121.20 126.17 2x22 s ILE 10 Ca 0.04 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 59.99 2x22 s ILE 10 Cb -0.16 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 2x22 s ILE 10 CO -0.00 0.38 0.63 -0.22 0.00 0.00 0.00 174.94 175.73 2x22 s LEU 11 N 0.99 4.23 -0.24 2.97 0.20 -0.41 -1.18 118.68 125.23 2x22 s LEU 11 Ca -0.08 0.96 0.02 0.00 0.69 0.00 0.00 54.13 55.72 2x22 s LEU 11 Cb -0.15 -2.92 0.05 0.00 -0.43 0.00 0.00 46.19 42.74 2x22 s LEU 11 CO -0.00 -0.17 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.07 2x22 s VAL 12 N 1.28 2.17 0.39 1.68 1.01 0.35 -0.21 120.40 127.07 2x22 s VAL 12 Ca 0.31 -1.48 0.01 0.00 0.00 0.00 0.00 61.98 60.82 2x22 s VAL 12 Cb -0.16 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2x22 s VAL 12 CO 0.13 0.09 0.60 -0.94 0.00 0.00 0.00 175.10 174.98 2x22 s SER 13 N 1.15 6.10 0.00 3.32 1.04 -0.35 -1.74 113.70 123.21 2x22 s SER 13 Ca -0.06 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2x22 s SER 13 Cb -0.18 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2x22 s SER 13 CO -0.07 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2x22 n GLY 14 N -1.91 0.74 3.69 7.32 0.00 -1.19 -3.68 105.19 110.16 2x22 n GLY 14 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2x22 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x22 s ILE 15 N -2.11 4.04 0.00 -0.61 1.01 -1.26 -4.55 121.20 117.73 2x22 s ILE 15 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.06 2x22 s ILE 15 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2x22 s ILE 15 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 174.94 174.96 2x22 n ILE 16 N 4.50 0.00 -4.48 2.92 0.13 -1.26 -4.64 119.36 116.53 2x22 n ILE 16 Ca 0.11 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.53 2x22 n ILE 16 Cb 0.45 -0.39 -0.09 0.00 -0.84 0.00 0.00 39.64 38.77 2x22 n ILE 16 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2x22 s THR 17 N -1.60 0.84 -1.94 9.51 -4.23 -1.26 -4.71 115.64 112.25 2x22 s THR 17 Ca 0.00 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.83 2x22 s THR 17 Cb 0.00 -2.55 0.86 0.00 1.34 0.00 0.00 72.50 72.16 2x22 s THR 17 CO 0.00 0.00 2.20 -0.90 -0.54 0.00 0.00 174.62 175.38 2x22 n ASP 18 N -0.99 0.00 0.00 3.99 5.68 -1.26 -2.42 116.55 121.56 2x22 n ASP 18 Ca -0.04 -0.90 0.11 0.00 -0.50 0.00 0.00 54.79 53.46 2x22 n ASP 18 Cb 0.66 -0.03 0.02 0.00 -1.14 0.00 0.00 41.12 40.63 2x22 n ASP 18 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2x22 n SER 19 N -1.03 0.73 -4.62 -1.12 3.41 -1.26 -4.84 113.62 104.89 2x22 n SER 19 Ca 0.23 -0.58 -0.47 0.00 -0.26 0.00 0.00 58.87 57.79 2x22 n SER 19 Cb 0.12 0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 2x22 n SER 19 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2x22 n SER 20 N -1.62 2.04 -0.25 4.04 7.64 -1.01 -4.55 113.62 119.92 2x22 n SER 20 Ca 0.04 1.14 0.03 0.00 1.01 0.00 0.00 58.87 61.09 2x22 n SER 20 Cb 0.36 -1.32 0.16 0.00 -1.01 0.00 0.00 64.21 62.40 2x22 n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2x22 h ILE 21 N 2.84 0.74 -0.95 0.44 2.04 -1.91 -0.98 117.51 119.74 2x22 h ILE 21 Ca -0.44 -0.17 0.17 0.00 1.00 0.00 0.00 64.86 65.42 2x22 h ILE 21 Cb 1.31 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 2x22 h ILE 21 CO 0.73 0.09 0.60 0.00 0.00 0.00 0.00 178.15 179.57 2x22 h ALA 22 N 1.49 1.83 -0.66 1.87 0.00 -1.86 0.64 119.26 122.57 2x22 h ALA 22 Ca 0.38 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2x22 h ALA 22 Cb 0.50 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2x22 h ALA 22 CO -0.34 -0.13 0.32 0.35 0.00 0.00 0.00 179.25 179.45 2x22 h PHE 23 N 0.69 0.95 -0.13 0.00 3.57 -1.46 -0.34 116.94 120.22 2x22 h PHE 23 Ca 0.50 -0.05 -0.21 0.00 3.53 0.00 0.00 57.97 61.75 2x22 h PHE 23 Cb 0.85 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2x22 h PHE 23 CO -0.00 0.71 -0.76 0.45 -2.23 0.00 0.00 178.31 176.48 2x22 h HIS 24 N 0.91 0.87 -0.53 0.41 3.86 -1.04 -1.46 115.15 118.17 2x22 h HIS 24 Ca 0.23 -0.38 0.06 0.00 -1.16 0.00 0.00 60.37 59.12 2x22 h HIS 24 Cb 0.12 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.40 2x22 h HIS 24 CO 0.00 1.19 0.23 0.82 0.86 0.00 0.00 177.93 181.03 2x22 h ILE 25 N 0.44 0.87 -0.34 2.45 2.04 -0.78 -1.37 117.51 120.82 2x22 h ILE 25 Ca -0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2x22 h ILE 25 Cb 1.37 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2x22 h ILE 25 CO 0.15 0.08 0.18 0.00 0.00 0.00 0.00 178.15 178.55 2x22 h ALA 26 N 1.33 0.43 -0.09 1.87 0.00 -0.93 -0.44 119.26 121.43 2x22 h ALA 26 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2x22 h ALA 26 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2x22 h ALA 26 CO -0.22 -0.03 0.05 -0.09 0.00 0.00 0.00 179.25 178.96 2x22 h ARG 27 N 0.42 0.11 -0.47 0.00 2.43 -1.00 -1.06 114.38 114.80 2x22 h ARG 27 Ca 0.12 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 2x22 h ARG 27 Cb 0.08 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2x22 h ARG 27 CO -0.02 0.07 0.02 0.28 -1.51 0.00 0.00 179.97 178.81 2x22 h VAL 28 N 0.11 1.26 -0.53 0.20 2.07 -1.14 -0.45 116.25 117.76 2x22 h VAL 28 Ca 0.03 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.56 2x22 h VAL 28 Cb -0.01 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2x22 h VAL 28 CO -0.01 0.36 0.29 0.00 0.02 0.00 0.00 177.57 178.22 2x22 h ALA 29 N 0.93 0.69 -0.68 1.67 0.00 -0.96 -0.68 119.26 120.23 2x22 h ALA 29 Ca 0.14 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2x22 h ALA 29 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2x22 h ALA 29 CO 0.02 -0.04 0.13 1.96 0.00 0.00 0.00 179.25 181.32 2x22 h GLN 30 N 0.56 1.11 0.00 0.00 4.20 -0.89 -1.14 115.11 118.95 2x22 h GLN 30 Ca 0.23 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2x22 h GLN 30 Cb 0.11 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2x22 h GLN 30 CO -0.14 1.00 -0.02 0.93 -0.67 0.00 0.00 178.83 179.93 2x22 h GLU 31 N 1.04 0.00 -0.67 1.46 5.08 -0.54 -1.57 114.58 119.38 2x22 h GLU 31 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2x22 h GLU 31 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2x22 h GLU 31 CO 0.01 0.02 0.00 1.04 -1.00 0.00 0.00 179.01 179.08 2x22 n GLN 32 N -4.41 3.43 -0.75 2.33 1.13 -0.31 -4.85 117.38 113.95 2x22 n GLN 32 Ca -0.03 -2.14 0.00 0.00 -1.94 0.00 0.00 57.00 52.89 2x22 n GLN 32 Cb 0.11 -1.91 0.00 0.00 0.11 0.00 0.00 30.24 28.55 2x22 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x22 n GLY 33 N 0.62 0.69 3.77 1.08 0.00 -0.59 -0.89 105.19 109.88 2x22 n GLY 33 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2x22 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x22 s ALA 34 N -2.40 3.13 -0.21 4.61 0.00 -0.49 -3.06 121.76 123.34 2x22 s ALA 34 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 2x22 s ALA 34 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2x22 s ALA 34 CO 0.00 -0.50 0.51 -1.14 0.00 0.00 0.00 175.76 174.63 2x22 s GLN 35 N -2.36 4.17 0.09 0.00 0.74 0.87 -4.47 119.66 118.71 2x22 s GLN 35 Ca 0.58 0.39 0.01 0.00 0.05 0.00 0.00 55.36 56.39 2x22 s GLN 35 Cb -0.29 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.21 2x22 s GLN 35 CO 0.37 -0.17 0.21 -0.51 -0.55 0.00 0.00 175.29 174.64 2x22 s LEU 36 N 1.70 4.29 -0.09 3.68 1.43 -1.26 -0.85 118.68 127.59 2x22 s LEU 36 Ca 0.23 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2x22 s LEU 36 Cb -0.15 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.18 2x22 s LEU 36 CO 0.09 0.14 -0.22 -0.69 0.23 0.00 0.00 176.35 175.90 2x22 s VAL 37 N -1.56 1.89 0.01 -1.59 1.01 -0.33 -4.17 120.40 115.66 2x22 s VAL 37 Ca 0.34 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2x22 s VAL 37 Cb -0.12 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2x22 s VAL 37 CO 0.27 0.52 0.17 -0.76 0.00 0.00 0.00 175.10 175.31 2x22 s LEU 38 N 0.32 4.29 0.03 3.92 1.43 0.56 -0.49 118.68 128.74 2x22 s LEU 38 Ca -0.16 0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 2x22 s LEU 38 Cb -0.17 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 2x22 s LEU 38 CO 0.07 0.24 -0.21 0.42 0.23 0.00 0.00 176.35 177.10 2x22 s THR 39 N -1.35 1.67 0.04 5.49 -4.23 -0.71 -0.56 115.64 115.99 2x22 s THR 39 Ca 0.28 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2x22 s THR 39 Cb -0.13 -1.44 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 2x22 s THR 39 CO 0.20 0.26 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.67 2x22 s GLY 40 N -1.05 0.42 -0.14 3.99 0.00 -0.63 -3.19 107.32 106.72 2x22 s GLY 40 Ca 0.08 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.87 2x22 s GLY 40 CO 0.01 -1.03 -0.16 -0.12 0.00 0.00 0.00 173.10 171.81 2x22 s PHE 41 N -2.66 2.75 0.00 1.90 5.36 -1.26 -1.52 117.98 122.55 2x22 s PHE 41 Ca -0.03 -0.94 0.00 0.00 -0.96 0.00 0.00 56.93 55.00 2x22 s PHE 41 Cb -0.01 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 2x22 s PHE 41 CO -0.05 -0.40 0.00 -3.47 -1.46 0.00 0.00 175.22 169.84 2x22 n ASP 42 N 3.84 0.00 -3.60 6.13 2.03 -1.26 -4.56 116.55 119.13 2x22 n ASP 42 Ca -0.19 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.71 2x22 n ASP 42 Cb 0.52 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.93 2x22 n ASP 42 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2x22 n ARG 43 N 0.00 5.04 0.11 -0.67 5.12 -1.26 -4.82 116.66 120.17 2x22 n ARG 43 Ca 0.00 -4.16 0.01 0.00 -1.93 0.00 0.00 57.85 51.77 2x22 n ARG 43 Cb 0.00 -2.55 0.35 0.00 -1.16 0.00 0.00 32.46 29.10 2x22 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2x22 h LEU 44 N 4.89 0.25 -0.33 0.55 -0.00 -1.92 -1.07 115.31 117.68 2x22 h LEU 44 Ca 0.59 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 58.37 2x22 h LEU 44 Cb 0.33 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 2x22 h LEU 44 CO 1.32 0.45 0.05 0.03 -0.00 0.00 0.00 178.44 180.28 2x22 h ARG 45 N 0.24 0.55 -0.39 1.13 3.08 -1.99 0.64 114.38 117.63 2x22 h ARG 45 Ca 0.04 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2x22 h ARG 45 Cb 0.46 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2x22 h ARG 45 CO 0.03 0.63 0.26 1.25 -1.07 0.00 0.00 179.97 181.07 2x22 h LEU 46 N 0.38 0.46 -0.55 3.04 5.85 -1.85 -1.43 115.31 121.20 2x22 h LEU 46 Ca 0.10 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2x22 h LEU 46 Cb 0.35 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2x22 h LEU 46 CO 0.01 0.34 0.25 0.40 -0.34 0.00 0.00 178.44 179.10 2x22 h ILE 47 N 0.53 1.21 -0.55 4.05 2.04 -1.07 -0.81 117.51 122.90 2x22 h ILE 47 Ca 0.14 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.48 2x22 h ILE 47 Cb -0.05 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 2x22 h ILE 47 CO -0.03 0.24 0.20 1.56 0.00 0.00 0.00 178.15 180.12 2x22 h GLN 48 N 0.74 0.37 0.01 2.37 1.08 -0.65 -0.49 115.11 118.55 2x22 h GLN 48 Ca 0.19 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2x22 h GLN 48 Cb 0.14 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2x22 h GLN 48 CO -0.02 0.24 -0.01 -0.09 -0.95 0.00 0.00 178.83 178.01 2x22 h ARG 49 N 0.38 -0.02 -0.45 1.46 2.43 -0.72 -2.72 114.38 114.74 2x22 h ARG 49 Ca 0.27 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.49 2x22 h ARG 49 Cb 0.31 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2x22 h ARG 49 CO -0.27 0.16 0.19 0.82 -1.51 0.00 0.00 179.97 179.36 2x22 h ILE 50 N -0.19 0.91 0.00 1.20 2.04 -0.87 -2.53 117.51 118.07 2x22 h ILE 50 Ca -0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2x22 h ILE 50 Cb 0.18 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2x22 h ILE 50 CO 0.00 0.07 0.00 0.35 0.00 0.00 0.00 178.15 178.57 2x22 n THR 51 N -4.96 0.18 0.31 -0.27 -2.24 -0.22 -1.91 114.28 105.18 2x22 n THR 51 Ca 0.03 0.04 0.20 0.00 -2.27 0.00 0.00 64.05 62.06 2x22 n THR 51 Cb 0.14 -0.60 0.96 0.00 -2.10 0.00 0.00 70.33 68.74 2x22 n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2x22 h ASP 52 N 0.00 0.00 -0.15 3.42 3.45 -1.12 -1.73 116.42 120.29 2x22 h ASP 52 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2x22 h ASP 52 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 2x22 h ASP 52 CO 0.00 0.01 0.00 0.54 -1.57 0.00 0.00 179.24 178.22 2x22 n ARG 53 N -3.12 1.56 -1.79 3.56 1.74 -0.80 -4.89 116.66 112.92 2x22 n ARG 53 Ca -0.01 -0.85 -0.32 0.00 -0.77 0.00 0.00 57.85 55.90 2x22 n ARG 53 Cb 0.18 -1.35 0.03 0.00 -1.02 0.00 0.00 32.46 30.31 2x22 n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2x22 s LEU 54 N -1.49 3.29 0.47 0.55 1.43 -0.65 -4.94 118.68 117.34 2x22 s LEU 54 Ca 0.29 1.69 0.26 0.00 -1.03 0.00 0.00 54.13 55.33 2x22 s LEU 54 Cb 0.15 -4.51 1.30 0.00 0.03 0.00 0.00 46.19 43.16 2x22 s LEU 54 CO 0.23 -1.29 1.84 -0.65 0.23 0.00 0.00 176.35 176.71 2x22 h PRO 55 N -0.20 0.20 -3.64 1.29 0.11 -1.89 -3.43 132.00 124.43 2x22 h PRO 55 Ca -0.45 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 2x22 h PRO 55 Cb 1.21 -0.04 -0.22 0.00 0.11 0.00 0.00 31.00 32.06 2x22 h PRO 55 CO 0.57 0.13 -0.57 0.00 -0.21 0.00 0.00 178.00 177.93 2x22 s ALA 56 N -5.22 -0.19 0.20 -0.75 0.00 -1.26 -5.12 121.76 109.43 2x22 s ALA 56 Ca -0.07 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 2x22 s ALA 56 Cb 0.23 0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.35 2x22 s ALA 56 CO 0.79 -0.17 1.10 0.15 0.00 0.00 0.00 175.76 177.62 2x22 s LYS 57 N -1.19 4.61 0.03 0.00 -0.14 -1.26 -4.99 119.74 116.79 2x22 s LYS 57 Ca -0.13 1.73 0.02 0.00 -1.36 0.00 0.00 55.97 56.23 2x22 s LYS 57 Cb -0.07 -3.26 -0.02 0.00 -1.68 0.00 0.00 37.83 32.80 2x22 s LYS 57 CO 0.01 0.11 -0.07 0.00 -0.76 0.00 0.00 175.35 174.64 2x22 s ALA 58 N -0.42 0.48 0.51 5.17 0.00 -1.26 -4.91 121.76 121.33 2x22 s ALA 58 Ca 0.48 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 2x22 s ALA 58 Cb -0.30 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 2x22 s ALA 58 CO 0.36 -0.01 1.17 -1.25 0.00 0.00 0.00 175.76 176.03 2x22 s PRO 59 N -1.22 3.49 -0.12 0.00 0.04 -1.26 -4.83 135.00 131.11 2x22 s PRO 59 Ca -0.08 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.75 2x22 s PRO 59 Cb -0.08 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.26 2x22 s PRO 59 CO 0.00 -0.77 -0.21 -1.17 0.04 0.00 0.00 177.00 174.90 2x22 s LEU 60 N -3.43 2.00 0.14 -3.56 0.20 -1.26 -0.32 118.68 112.45 2x22 s LEU 60 Ca 0.69 -0.54 0.11 0.00 0.69 0.00 0.00 54.13 55.08 2x22 s LEU 60 Cb -0.28 -1.33 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 2x22 s LEU 60 CO 0.33 0.09 -0.25 -0.76 -0.29 0.00 0.00 176.35 175.47 2x22 s LEU 61 N 0.70 2.40 0.07 -0.68 1.43 0.28 -4.97 118.68 117.91 2x22 s LEU 61 Ca -0.11 -0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 51.99 2x22 s LEU 61 Cb -0.16 -1.26 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 2x22 s LEU 61 CO 0.02 0.17 0.83 -0.70 0.23 0.00 0.00 176.35 176.90 2x22 s GLU 62 N -2.17 4.57 -0.26 1.70 2.12 -1.26 -1.60 118.70 121.80 2x22 s GLU 62 Ca 0.16 1.20 -0.01 0.00 0.36 0.00 0.00 54.97 56.67 2x22 s GLU 62 Cb -0.10 -3.36 0.13 0.00 0.26 0.00 0.00 34.13 31.06 2x22 s GLU 62 CO 0.07 0.27 0.33 -1.17 -0.54 0.00 0.00 175.26 174.22 2x22 s LEU 63 N -0.09 -0.45 -0.41 2.70 2.96 -0.57 -4.87 118.68 117.96 2x22 s LEU 63 Ca 0.41 -0.27 -0.17 0.00 -0.22 0.00 0.00 54.13 53.88 2x22 s LEU 63 Cb -0.22 0.79 0.02 0.00 0.50 0.00 0.00 46.19 47.28 2x22 s LEU 63 CO 0.25 -0.34 0.45 -0.62 -1.32 0.00 0.00 176.35 174.77 2x22 s ASP 64 N 2.45 6.21 0.00 3.68 2.15 -1.26 -4.24 116.67 125.66 2x22 s ASP 64 Ca 0.10 -0.55 0.11 0.00 0.43 0.00 0.00 52.55 52.63 2x22 s ASP 64 Cb -0.14 -2.23 0.52 0.00 -0.30 0.00 0.00 42.92 40.77 2x22 s ASP 64 CO -0.23 -0.56 1.26 1.33 -0.17 0.00 0.00 175.17 176.81 2x22 n VAL 65 N 5.44 0.88 1.26 1.11 0.24 -1.26 -0.55 118.33 125.45 2x22 n VAL 65 Ca -0.07 0.22 0.13 0.00 -2.04 0.00 0.00 64.34 62.58 2x22 n VAL 65 Cb 0.48 -1.04 0.38 0.00 -1.47 0.00 0.00 33.84 32.19 2x22 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x22 n GLN 66 N -1.34 0.96 -3.48 7.34 6.02 -1.26 -4.80 117.38 120.81 2x22 n GLN 66 Ca 0.04 -0.58 -0.43 0.00 -0.01 0.00 0.00 57.00 56.03 2x22 n GLN 66 Cb 0.10 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 2x22 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2x22 s ASN 67 N -2.44 6.03 0.47 1.08 3.04 0.29 -4.95 114.94 118.47 2x22 s ASN 67 Ca 0.26 -0.96 0.22 0.00 0.04 0.00 0.00 52.86 52.42 2x22 s ASN 67 Cb 0.19 -2.13 1.15 0.00 -1.54 0.00 0.00 41.25 38.92 2x22 s ASN 67 CO 0.50 -0.45 1.97 -0.33 -3.04 0.00 0.00 177.10 175.74 2x22 h GLU 68 N 8.60 0.00 -0.32 0.43 3.07 -1.87 -2.31 114.58 122.18 2x22 h GLU 68 Ca -0.27 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.46 2x22 h GLU 68 Cb 1.12 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2x22 h GLU 68 CO 0.73 0.20 -0.32 0.93 -1.40 0.00 0.00 179.01 179.16 2x22 h GLU 69 N 0.00 0.78 -0.99 2.33 5.08 -1.94 0.36 114.58 120.20 2x22 h GLU 69 Ca -0.00 -0.41 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 2x22 h GLU 69 Cb 0.48 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 2x22 h GLU 69 CO 0.03 1.04 0.65 0.45 -1.00 0.00 0.00 179.01 180.18 2x22 h HIS 70 N 0.55 1.22 -0.15 4.33 3.86 -1.73 -1.84 115.15 121.39 2x22 h HIS 70 Ca 0.05 0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.07 2x22 h HIS 70 Cb 0.89 -0.41 0.01 0.00 1.06 0.00 0.00 27.41 28.96 2x22 h HIS 70 CO 0.07 0.72 -0.77 -0.07 0.86 0.00 0.00 177.93 178.74 2x22 h LEU 71 N 1.27 0.91 -1.36 2.43 4.07 -1.36 -2.26 115.31 119.01 2x22 h LEU 71 Ca 0.39 -0.60 -0.06 0.00 0.08 0.00 0.00 57.88 57.69 2x22 h LEU 71 Cb -0.03 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.43 2x22 h LEU 71 CO -0.11 1.39 -0.21 0.00 -1.08 0.00 0.00 178.44 178.43 2x22 h ALA 72 N 0.59 1.47 -0.01 1.53 0.00 -0.65 -3.16 119.26 119.03 2x22 h ALA 72 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2x22 h ALA 72 Cb 1.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2x22 h ALA 72 CO 0.16 0.38 -0.51 -1.13 0.00 0.00 0.00 179.25 178.14 2x22 n SER 73 N -4.23 1.50 -0.06 0.00 3.41 -0.71 -4.65 113.62 108.87 2x22 n SER 73 Ca -0.01 -1.18 -0.10 0.00 -0.26 0.00 0.00 58.87 57.32 2x22 n SER 73 Cb 0.31 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 2x22 n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2x22 h LEU 74 N 1.55 0.28 -0.70 1.04 5.85 -1.37 -0.94 115.31 121.02 2x22 h LEU 74 Ca 0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2x22 h LEU 74 Cb 0.63 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 2x22 h LEU 74 CO 0.00 0.22 0.46 0.00 -0.34 0.00 0.00 178.44 178.78 2x22 h ALA 75 N 1.08 0.90 -0.42 1.25 0.00 -1.80 0.20 119.26 120.46 2x22 h ALA 75 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2x22 h ALA 75 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2x22 h ALA 75 CO -0.02 0.28 -0.21 0.78 0.00 0.00 0.00 179.25 180.09 2x22 h GLY 76 N 0.93 0.96 1.03 0.00 0.00 -1.81 -0.87 103.07 103.32 2x22 h GLY 76 Ca 0.27 -0.87 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 2x22 h GLY 76 CO -0.07 0.79 0.24 3.21 0.00 0.00 0.00 176.54 180.70 2x22 h ARG 77 N 0.71 1.07 -0.55 4.80 3.08 -0.75 -1.01 114.38 121.74 2x22 h ARG 77 Ca 0.09 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 2x22 h ARG 77 Cb 0.77 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2x22 h ARG 77 CO 0.06 0.91 0.09 0.28 -1.07 0.00 0.00 179.97 180.25 2x22 h VAL 78 N 1.01 1.25 -0.18 2.04 2.07 -0.51 -1.94 116.25 120.01 2x22 h VAL 78 Ca 0.23 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2x22 h VAL 78 Cb 0.28 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2x22 h VAL 78 CO -0.01 0.35 0.05 0.74 0.02 0.00 0.00 177.57 178.71 2x22 h THR 79 N 0.80 0.94 -0.50 2.57 2.02 -0.95 0.36 112.91 118.15 2x22 h THR 79 Ca 0.17 -0.04 0.10 0.00 0.77 0.00 0.00 66.41 67.40 2x22 h THR 79 Cb 0.41 0.80 -0.10 0.00 -1.74 0.00 0.00 68.15 67.52 2x22 h THR 79 CO 0.01 0.02 -0.14 -0.08 0.37 0.00 0.00 175.52 175.70 2x22 h GLU 80 N 0.13 -0.02 -0.71 6.66 4.81 -1.10 0.53 114.58 124.87 2x22 h GLU 80 Ca 0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2x22 h GLU 80 Cb 0.06 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2x22 h GLU 80 CO -0.09 -0.01 0.33 0.00 -0.73 0.00 0.00 179.01 178.51 2x22 h ALA 81 N 1.46 1.24 0.00 2.92 0.00 -0.52 -3.12 119.26 121.24 2x22 h ALA 81 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2x22 h ALA 81 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2x22 h ALA 81 CO -0.52 0.58 -1.08 0.44 0.00 0.00 0.00 179.25 178.66 2x22 n ILE 82 N -4.33 0.04 -0.01 0.00 -5.35 0.04 -4.98 119.36 104.78 2x22 n ILE 82 Ca 0.07 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2x22 n ILE 82 Cb 0.14 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 2x22 n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x22 n GLY 83 N 1.44 1.16 3.69 3.28 0.00 0.18 -4.76 105.19 110.18 2x22 n GLY 83 Ca 0.03 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2x22 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x22 n ALA 84 N 2.64 1.17 0.00 4.61 0.00 -1.20 -1.51 120.51 126.22 2x22 n ALA 84 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2x22 n ALA 84 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2x22 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x22 n GLY 85 N 0.81 2.83 3.82 0.00 0.00 -1.26 -5.05 105.19 106.34 2x22 n GLY 85 Ca 0.05 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2x22 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x22 s ASN 86 N 0.65 6.98 0.22 1.61 0.01 -0.57 -5.08 114.94 118.77 2x22 s ASN 86 Ca 0.00 1.63 0.07 0.00 -0.71 0.00 0.00 52.86 53.86 2x22 s ASN 86 Cb 0.00 -2.51 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 2x22 s ASN 86 CO 0.00 -0.27 -0.12 -0.54 -1.51 0.00 0.00 177.10 174.66 2x22 s LYS 87 N -2.90 1.37 0.26 -0.60 1.02 -1.26 -4.90 119.74 112.74 2x22 s LYS 87 Ca 0.58 -1.63 -0.29 0.00 0.02 0.00 0.00 55.97 54.65 2x22 s LYS 87 Cb -0.11 -1.11 -0.09 0.00 -0.52 0.00 0.00 37.83 36.00 2x22 s LYS 87 CO 0.16 0.15 0.94 -0.51 -0.92 0.00 0.00 175.35 175.17 2x22 s LEU 88 N -3.34 4.56 0.04 3.17 1.43 0.32 -4.72 118.68 120.14 2x22 s LEU 88 Ca 0.24 1.92 0.22 0.00 -1.03 0.00 0.00 54.13 55.49 2x22 s LEU 88 Cb 0.00 -3.73 -0.20 0.00 0.03 0.00 0.00 46.19 42.30 2x22 s LEU 88 CO 0.08 0.09 0.72 0.47 0.23 0.00 0.00 176.35 177.94 2x22 n ASP 89 N 1.22 0.35 -3.74 2.29 8.00 0.84 -0.64 116.55 124.87 2x22 n ASP 89 Ca -0.01 0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 2x22 n ASP 89 Cb 0.48 1.39 -0.09 0.00 -0.02 0.00 0.00 41.12 42.88 2x22 n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2x22 s GLY 90 N -4.29 -0.23 -0.06 0.44 0.00 -0.97 -1.28 107.32 100.94 2x22 s GLY 90 Ca -0.04 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.35 2x22 s GLY 90 CO 0.86 0.46 -0.06 0.14 0.00 0.00 0.00 173.10 174.50 2x22 s VAL 91 N -0.76 0.74 -0.26 1.40 1.01 -0.02 -1.29 120.40 121.21 2x22 s VAL 91 Ca -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2x22 s VAL 91 Cb -0.04 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2x22 s VAL 91 CO 0.03 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 174.71 2x22 s VAL 92 N 1.08 3.26 -0.47 2.92 1.01 0.70 0.01 120.40 128.91 2x22 s VAL 92 Ca -0.08 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 2x22 s VAL 92 Cb -0.14 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2x22 s VAL 92 CO -0.01 0.17 0.67 -2.28 0.00 0.00 0.00 175.10 173.64 2x22 s HIS 93 N 1.39 3.03 -0.46 5.22 2.46 0.72 -1.21 115.29 126.44 2x22 s HIS 93 Ca 0.01 -0.19 0.09 0.00 0.47 0.00 0.00 55.06 55.44 2x22 s HIS 93 Cb -0.17 -3.47 0.37 0.00 -0.13 0.00 0.00 32.58 29.19 2x22 s HIS 93 CO -0.02 -0.96 0.90 0.45 -2.47 0.00 0.00 174.74 172.64 2x22 n SER 94 N 6.35 2.98 -4.13 9.88 2.88 -1.24 -2.58 113.62 127.77 2x22 n SER 94 Ca -0.03 -3.36 -0.29 0.00 -1.33 0.00 0.00 58.87 53.87 2x22 n SER 94 Cb 0.47 -0.56 -0.17 0.00 -0.75 0.00 0.00 64.21 63.20 2x22 n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2x22 s ILE 95 N -3.82 1.66 -0.10 2.46 1.01 -1.26 -4.21 121.20 116.94 2x22 s ILE 95 Ca 0.43 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 2x22 s ILE 95 Cb 0.34 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 41.39 2x22 s ILE 95 CO -0.11 0.47 0.39 -0.83 0.00 0.00 0.00 174.94 174.87 2x22 s GLY 96 N 0.55 -0.27 -0.23 6.18 0.00 -1.26 -4.66 107.32 107.63 2x22 s GLY 96 Ca -0.15 0.89 -0.24 0.00 0.00 0.00 0.00 44.72 45.21 2x22 s GLY 96 CO 0.05 0.70 0.68 -0.12 0.00 0.00 0.00 173.10 174.41 2x22 s PHE 97 N -0.39 -0.73 -0.22 1.90 5.36 -1.26 -4.96 117.98 117.68 2x22 s PHE 97 Ca -0.05 1.74 -0.10 0.00 -0.96 0.00 0.00 56.93 57.56 2x22 s PHE 97 Cb -0.03 0.27 0.08 0.00 -0.34 0.00 0.00 43.02 42.99 2x22 s PHE 97 CO 0.02 -0.38 0.50 1.41 -1.46 0.00 0.00 175.22 175.31 2x22 s MET 98 N 0.20 0.46 0.38 10.12 -2.45 -1.26 -4.27 119.30 122.48 2x22 s MET 98 Ca -0.01 1.03 -0.26 0.00 -1.25 0.00 0.00 55.69 55.20 2x22 s MET 98 Cb -0.04 0.21 -0.11 0.00 1.25 0.00 0.00 34.83 36.13 2x22 s MET 98 CO 0.02 -0.19 1.10 -2.30 1.05 0.00 0.00 175.02 174.70 2x22 n PRO 99 N 4.72 1.57 0.18 4.11 -0.02 -1.26 -4.80 135.00 139.50 2x22 n PRO 99 Ca -0.17 0.56 0.18 0.00 -2.02 0.00 0.00 63.50 62.04 2x22 n PRO 99 Cb 0.54 -2.10 0.81 0.00 -0.02 0.00 0.00 33.50 32.73 2x22 n PRO 99 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2x22 h GLN 100 N 1.89 0.00 -0.49 -0.52 4.20 -1.93 0.42 115.11 118.69 2x22 h GLN 100 Ca -0.44 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.41 2x22 h GLN 100 Cb 1.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 2x22 h GLN 100 CO 0.59 0.00 0.46 0.00 -0.67 0.00 0.00 178.83 179.21 2x22 h THR 101 N 0.00 0.45 -0.66 -0.54 1.03 -1.98 0.53 112.91 111.74 2x22 h THR 101 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.51 2x22 h THR 101 Cb 0.59 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 2x22 h THR 101 CO -0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 2x22 n GLY 102 N -1.54 2.64 3.34 2.99 0.00 0.15 -4.21 105.19 108.55 2x22 n GLY 102 Ca 0.09 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 2x22 n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x22 s MET 103 N -1.72 1.41 7.35 1.61 1.00 0.18 -1.66 119.30 127.47 2x22 s MET 103 Ca 0.51 -1.75 0.00 0.00 0.00 0.00 0.00 55.69 54.45 2x22 s MET 103 Cb 0.32 -0.43 0.00 0.00 0.00 0.00 0.00 34.83 34.71 2x22 s MET 103 CO 0.26 -0.22 0.00 0.41 0.00 0.00 0.00 175.02 175.47 2x22 n GLY 104 N -0.47 2.93 0.05 -0.03 0.00 0.67 -3.09 105.19 105.25 2x22 n GLY 104 Ca -0.02 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.87 2x22 n GLY 104 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2x22 n ILE 105 N 0.00 0.00 -1.88 -0.61 -5.35 0.16 -3.76 119.36 107.91 2x22 n ILE 105 Ca 0.00 -0.03 -0.42 0.00 -0.27 0.00 0.00 62.75 62.04 2x22 n ILE 105 Cb 0.00 0.33 -0.03 0.00 -1.74 0.00 0.00 39.64 38.21 2x22 n ILE 105 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2x22 s ASN 106 N -2.91 6.52 0.16 7.28 0.01 -1.18 -4.90 114.94 119.93 2x22 s ASN 106 Ca 0.13 2.73 -0.32 0.00 -0.71 0.00 0.00 52.86 54.69 2x22 s ASN 106 Cb 0.18 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 39.13 2x22 s ASN 106 CO 0.68 -0.85 1.58 -2.84 -1.51 0.00 0.00 177.10 174.16 2x22 s PRO 107 N 0.63 4.21 0.30 -0.60 0.02 -1.26 -4.72 135.00 133.58 2x22 s PRO 107 Ca 0.68 2.37 0.05 0.00 0.02 0.00 0.00 61.00 64.12 2x22 s PRO 107 Cb -0.45 -3.17 0.78 0.00 0.02 0.00 0.00 34.50 31.68 2x22 s PRO 107 CO 0.36 -0.62 1.66 0.35 -0.33 0.00 0.00 177.00 178.41 2x22 h PHE 108 N 6.87 0.49 0.00 6.54 3.57 -1.90 0.13 116.94 132.65 2x22 h PHE 108 Ca -0.43 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2x22 h PHE 108 Cb 1.20 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2x22 h PHE 108 CO 0.65 -0.18 0.00 1.19 -2.23 0.00 0.00 178.31 177.74 2x22 n PHE 109 N -5.17 0.78 1.34 0.41 3.72 -1.26 -3.29 117.46 113.98 2x22 n PHE 109 Ca 0.23 0.28 0.13 0.00 -0.05 0.00 0.00 57.45 58.05 2x22 n PHE 109 Cb 0.74 -0.96 0.40 0.00 -0.94 0.00 0.00 39.48 38.72 2x22 n PHE 109 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2x22 n ASP 110 N -2.19 1.56 -4.66 4.37 8.00 0.03 -4.85 116.55 118.82 2x22 n ASP 110 Ca 0.03 -1.38 -0.43 0.00 0.71 0.00 0.00 54.79 53.73 2x22 n ASP 110 Cb 0.28 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.43 2x22 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x22 s ALA 111 N -2.18 3.65 0.57 2.24 0.00 -1.21 -5.01 121.76 119.83 2x22 s ALA 111 Ca 0.32 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.47 2x22 s ALA 111 Cb 0.20 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2x22 s ALA 111 CO 0.40 -1.19 1.05 -2.14 0.00 0.00 0.00 175.76 173.88 2x22 s PRO 112 N 3.47 3.43 0.39 0.00 0.02 -1.26 -4.85 135.00 136.21 2x22 s PRO 112 Ca 0.52 1.20 0.07 0.00 0.02 0.00 0.00 61.00 62.81 2x22 s PRO 112 Cb -0.20 -2.05 0.79 0.00 0.02 0.00 0.00 34.50 33.07 2x22 s PRO 112 CO 0.13 -0.72 1.99 -0.92 -0.33 0.00 0.00 177.00 177.16 2x22 h TYR 113 N 0.61 0.47 -0.98 6.54 3.20 -1.99 -1.41 116.97 123.41 2x22 h TYR 113 Ca -0.47 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.54 2x22 h TYR 113 Cb 1.22 -0.15 -0.10 0.00 1.54 0.00 0.00 36.73 39.24 2x22 h TYR 113 CO 0.59 0.38 0.59 0.00 -1.64 0.00 0.00 178.16 178.08 2x22 h ALA 114 N 1.67 1.55 0.25 1.82 0.00 -1.99 0.31 119.26 122.88 2x22 h ALA 114 Ca 0.12 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2x22 h ALA 114 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2x22 h ALA 114 CO -0.01 0.06 -0.12 -0.44 0.00 0.00 0.00 179.25 178.73 2x22 h ASP 115 N 0.84 -0.29 -0.63 0.00 3.45 -1.65 -2.68 116.42 115.47 2x22 h ASP 115 Ca 0.53 -0.24 0.12 0.00 0.43 0.00 0.00 57.03 57.87 2x22 h ASP 115 Cb 0.70 0.07 -0.09 0.00 -0.56 0.00 0.00 39.33 39.46 2x22 h ASP 115 CO -0.33 0.18 0.17 0.58 -1.57 0.00 0.00 179.24 178.26 2x22 h VAL 116 N -0.86 0.66 -0.69 -1.35 2.07 -1.03 -1.91 116.25 113.12 2x22 h VAL 116 Ca -0.03 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2x22 h VAL 116 Cb 0.51 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2x22 h VAL 116 CO 0.06 0.06 0.41 -1.28 0.02 0.00 0.00 177.57 176.83 2x22 h SER 117 N 0.31 0.84 -0.70 0.57 0.87 -0.46 0.11 113.55 115.09 2x22 h SER 117 Ca 0.33 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2x22 h SER 117 Cb 0.49 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 2x22 h SER 117 CO -0.39 0.67 0.46 0.50 -0.53 0.00 0.00 176.83 177.53 2x22 h LYS 118 N 0.94 0.90 -0.30 2.24 3.64 -1.04 0.20 116.57 123.16 2x22 h LYS 118 Ca 0.25 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2x22 h LYS 118 Cb -0.01 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2x22 h LYS 118 CO -0.04 0.60 0.13 0.78 -2.27 0.00 0.00 179.45 178.64 2x22 h GLY 119 N 0.93 0.48 1.01 5.01 0.00 -0.58 -1.80 103.07 108.10 2x22 h GLY 119 Ca 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2x22 h GLY 119 CO -0.07 0.24 0.29 -2.22 0.00 0.00 0.00 176.54 174.78 2x22 h ILE 120 N 0.34 1.23 -0.00 2.60 2.04 -0.57 0.35 117.51 123.50 2x22 h ILE 120 Ca 0.10 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.29 2x22 h ILE 120 Cb 0.16 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 2x22 h ILE 120 CO -0.01 0.28 -0.21 -0.74 0.00 0.00 0.00 178.15 177.47 2x22 h HIS 121 N 0.94 -0.55 0.02 1.37 2.76 -0.42 0.17 115.15 119.44 2x22 h HIS 121 Ca 0.23 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 58.16 2x22 h HIS 121 Cb 0.17 0.25 0.02 0.00 1.55 0.00 0.00 27.41 29.39 2x22 h HIS 121 CO 0.01 -0.30 -1.04 0.82 -1.30 0.00 0.00 177.93 176.12 2x22 h ILE 122 N -0.33 1.33 0.00 6.26 2.04 -1.13 -1.68 117.51 124.00 2x22 h ILE 122 Ca 0.06 -2.37 -0.22 0.00 1.00 0.00 0.00 64.86 63.33 2x22 h ILE 122 Cb 0.41 2.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.91 2x22 h ILE 122 CO -0.20 0.72 -1.25 0.28 0.00 0.00 0.00 178.15 177.71 2x22 h SER 123 N 0.31 0.00 0.00 1.72 0.02 -0.17 -3.39 113.55 112.04 2x22 h SER 123 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2x22 h SER 123 Cb 1.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2x22 h SER 123 CO 0.19 0.88 -0.22 0.00 -1.14 0.00 0.00 176.83 176.54 2x22 n ALA 124 N -2.41 3.00 -0.29 3.77 0.00 0.52 -4.77 120.51 120.33 2x22 n ALA 124 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2x22 n ALA 124 Cb 0.94 0.27 0.23 0.00 0.00 0.00 0.00 19.45 20.89 2x22 n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2x22 h TYR 125 N 0.00 0.67 0.00 0.00 5.03 -1.31 -2.56 116.97 118.80 2x22 h TYR 125 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2x22 h TYR 125 Cb 0.22 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.33 2x22 h TYR 125 CO 0.00 0.11 0.00 0.66 -1.32 0.00 0.00 178.16 177.61 2x22 h SER 126 N 0.53 0.00 -0.70 -2.11 4.64 -1.50 -0.42 113.55 113.99 2x22 h SER 126 Ca 0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2x22 h SER 126 Cb 0.72 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 2x22 h SER 126 CO -0.40 0.00 0.43 0.22 -0.87 0.00 0.00 176.83 176.21 2x22 h TYR 127 N 0.00 0.90 -0.23 4.77 3.20 -1.74 0.18 116.97 124.06 2x22 h TYR 127 Ca 0.00 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2x22 h TYR 127 Cb 0.28 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 2x22 h TYR 127 CO 0.00 0.60 -0.28 0.00 -1.64 0.00 0.00 178.16 176.84 2x22 h ALA 128 N 1.23 0.34 -0.30 1.82 0.00 -1.22 -2.31 119.26 118.82 2x22 h ALA 128 Ca 0.25 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2x22 h ALA 128 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2x22 h ALA 128 CO -0.05 0.35 -0.24 0.66 0.00 0.00 0.00 179.25 179.97 2x22 h SER 129 N 0.29 0.60 -0.23 0.00 4.64 -1.32 0.89 113.55 118.41 2x22 h SER 129 Ca 0.03 -0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.15 2x22 h SER 129 Cb 0.85 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 2x22 h SER 129 CO 0.07 0.83 0.12 0.24 -0.87 0.00 0.00 176.83 177.21 2x22 h MET 130 N 0.52 0.24 -0.80 4.77 2.07 -0.68 -1.94 114.93 119.10 2x22 h MET 130 Ca 0.07 -0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.66 2x22 h MET 130 Cb 0.69 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 30.33 2x22 h MET 130 CO 0.05 0.16 0.39 0.00 1.07 0.00 0.00 176.91 178.58 2x22 h ALA 131 N 1.11 1.04 -0.63 6.32 0.00 -1.06 -1.19 119.26 124.85 2x22 h ALA 131 Ca 0.09 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2x22 h ALA 131 Cb 0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.42 2x22 h ALA 131 CO -0.06 0.60 0.28 -0.22 0.00 0.00 0.00 179.25 179.85 2x22 h LYS 132 N 1.14 0.49 -0.15 0.00 3.64 -0.71 0.58 116.57 121.56 2x22 h LYS 132 Ca 0.28 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.46 2x22 h LYS 132 Cb 0.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2x22 h LYS 132 CO -0.03 0.32 -0.59 0.00 -2.27 0.00 0.00 179.45 176.88 2x22 h ALA 133 N 1.39 0.69 0.00 5.00 0.00 -0.80 -3.37 119.26 122.17 2x22 h ALA 133 Ca 0.30 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2x22 h ALA 133 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2x22 h ALA 133 CO -0.26 0.70 -1.83 1.28 0.00 0.00 0.00 179.25 179.14 2x22 n LEU 134 N -3.93 0.00 -0.20 0.00 4.77 -0.50 -4.43 117.00 112.72 2x22 n LEU 134 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2x22 n LEU 134 Cb 0.63 0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.93 2x22 n LEU 134 CO 0.47 0.13 0.81 -0.07 -1.33 0.00 0.00 177.39 177.40 2x22 h LEU 135 N 0.00 -0.33 -2.23 2.23 4.07 -1.05 -0.69 115.31 117.31 2x22 h LEU 135 Ca -0.14 0.15 0.04 0.00 0.08 0.00 0.00 57.88 58.01 2x22 h LEU 135 Cb 1.15 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 43.17 2x22 h LEU 135 CO 0.01 -0.13 0.25 -0.65 -1.08 0.00 0.00 178.44 176.84 2x22 h PRO 136 N 0.09 0.00 -0.56 1.13 0.11 -1.79 -1.02 132.00 129.95 2x22 h PRO 136 Ca 0.30 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.10 2x22 h PRO 136 Cb 0.49 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.41 2x22 h PRO 136 CO -0.53 0.00 0.07 0.44 -0.21 0.00 0.00 178.00 177.76 2x22 n ILE 137 N -3.39 2.77 -4.63 4.15 -5.35 -0.28 -5.01 119.36 107.63 2x22 n ILE 137 Ca 0.01 -2.76 -0.33 0.00 -0.27 0.00 0.00 62.75 59.40 2x22 n ILE 137 Cb 0.35 -0.49 -0.11 0.00 -1.74 0.00 0.00 39.64 37.65 2x22 n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2x22 s MET 138 N -3.34 2.61 0.40 6.28 -1.94 -0.39 -0.52 119.30 122.40 2x22 s MET 138 Ca 0.49 -0.65 -0.24 0.00 -1.71 0.00 0.00 55.69 53.59 2x22 s MET 138 Cb 0.43 -2.51 -0.09 0.00 2.01 0.00 0.00 34.83 34.67 2x22 s MET 138 CO 0.02 0.63 1.05 -0.80 -0.01 0.00 0.00 175.02 175.91 2x22 s ASN 139 N -1.00 6.76 0.57 3.03 0.02 0.19 -4.89 114.94 119.61 2x22 s ASN 139 Ca 0.14 2.03 -0.20 0.00 -1.02 0.00 0.00 52.86 53.81 2x22 s ASN 139 Cb -0.11 -2.58 -0.05 0.00 0.02 0.00 0.00 41.25 38.52 2x22 s ASN 139 CO 0.03 -0.49 1.04 -2.65 0.02 0.00 0.00 177.10 175.05 2x22 n PRO 140 N -0.09 1.09 0.00 -0.60 -0.02 -1.25 -1.04 135.00 133.09 2x22 n PRO 140 Ca 0.05 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2x22 n PRO 140 Cb 0.50 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2x22 n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x22 n GLY 141 N 1.18 2.43 3.56 -1.23 0.00 0.65 -4.99 105.19 106.79 2x22 n GLY 141 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2x22 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x22 s GLY 142 N -2.00 1.54 -0.14 -0.02 0.00 -0.20 -4.81 107.32 101.70 2x22 s GLY 142 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 2x22 s GLY 142 CO 0.00 0.14 0.29 -0.45 0.00 0.00 0.00 173.10 173.08 2x22 s SER 143 N -3.48 0.20 -0.20 1.64 0.15 -0.40 -1.34 113.70 110.27 2x22 s SER 143 Ca 0.69 0.65 -0.09 0.00 0.70 0.00 0.00 55.95 57.90 2x22 s SER 143 Cb -0.15 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 2x22 s SER 143 CO 0.58 -0.23 0.10 -0.63 1.20 0.00 0.00 173.24 174.25 2x22 s ILE 144 N 2.33 5.04 -0.09 6.45 1.01 0.12 -0.84 121.20 135.22 2x22 s ILE 144 Ca -0.00 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2x22 s ILE 144 Cb -0.12 -3.30 0.01 0.00 0.01 0.00 0.00 42.46 39.07 2x22 s ILE 144 CO -0.09 0.43 -0.15 -0.69 0.00 0.00 0.00 174.94 174.44 2x22 s VAL 145 N 0.51 1.41 0.30 2.92 1.01 0.10 -1.40 120.40 125.26 2x22 s VAL 145 Ca 0.05 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.51 2x22 s VAL 145 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2x22 s VAL 145 CO 0.00 0.42 0.08 -0.83 0.00 0.00 0.00 175.10 174.77 2x22 s GLY 146 N 0.85 1.80 -0.17 4.51 0.00 -0.43 -0.20 107.32 113.67 2x22 s GLY 146 Ca -0.10 -1.74 -0.07 0.00 0.00 0.00 0.00 44.72 42.81 2x22 s GLY 146 CO 0.01 -1.73 0.05 1.06 0.00 0.00 0.00 173.10 172.49 2x22 s MET 147 N -3.77 3.87 0.23 2.90 -1.94 -1.06 0.10 119.30 119.62 2x22 s MET 147 Ca 0.35 -0.36 0.07 0.00 -1.71 0.00 0.00 55.69 54.04 2x22 s MET 147 Cb -0.04 -3.16 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 2x22 s MET 147 CO 0.21 0.32 -0.12 0.34 -0.01 0.00 0.00 175.02 175.77 2x22 s ASP 148 N 0.23 2.61 -0.13 3.03 2.15 0.57 -4.90 116.67 120.24 2x22 s ASP 148 Ca 0.03 -1.07 -0.02 0.00 0.43 0.00 0.00 52.55 51.92 2x22 s ASP 148 Cb -0.12 -0.14 0.04 0.00 -0.30 0.00 0.00 42.92 42.40 2x22 s ASP 148 CO 0.01 -0.23 0.00 0.12 -0.17 0.00 0.00 175.17 174.90 2x22 s PHE 149 N -2.99 0.96 -0.49 -5.34 2.19 -1.26 -1.93 117.98 109.11 2x22 s PHE 149 Ca 0.25 -0.55 -0.40 0.00 0.33 0.00 0.00 56.93 56.55 2x22 s PHE 149 Cb 0.01 -0.97 -0.17 0.00 -1.31 0.00 0.00 43.02 40.58 2x22 s PHE 149 CO 0.08 -0.47 2.20 -3.47 1.83 0.00 0.00 175.22 175.39 2x22 n ASP 150 N 5.07 1.14 -1.48 6.13 2.03 -1.26 -4.81 116.55 123.36 2x22 n ASP 150 Ca -0.09 0.55 0.08 0.00 0.52 0.00 0.00 54.79 55.86 2x22 n ASP 150 Cb 0.49 -1.02 0.34 0.00 -0.72 0.00 0.00 41.12 40.21 2x22 n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2x22 n PRO 151 N 7.79 3.88 0.31 -0.67 -0.04 -1.26 -4.58 135.00 140.42 2x22 n PRO 151 Ca 0.52 -2.90 0.18 0.00 -0.04 0.00 0.00 63.50 61.25 2x22 n PRO 151 Cb 0.05 -1.95 0.99 0.00 -0.04 0.00 0.00 33.50 32.55 2x22 n PRO 151 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2x22 h SER 152 N 3.50 0.00 -4.31 3.54 4.64 -1.93 -3.42 113.55 115.58 2x22 h SER 152 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 2x22 h SER 152 Cb 1.55 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.42 2x22 h SER 152 CO 0.29 0.02 -0.81 -0.13 -0.87 0.00 0.00 176.83 175.33 2x22 s ARG 153 N -4.28 1.04 0.83 4.77 0.52 -1.26 -5.15 118.95 115.40 2x22 s ARG 153 Ca -0.04 -1.00 -0.12 0.00 -0.52 0.00 0.00 55.73 54.05 2x22 s ARG 153 Cb 0.13 -1.16 0.09 0.00 0.52 0.00 0.00 34.95 34.53 2x22 s ARG 153 CO 0.50 0.27 1.12 0.00 0.02 0.00 0.00 175.30 177.21 2x22 s ALA 154 N -1.09 2.21 0.02 2.13 0.00 -1.26 -5.09 121.76 118.68 2x22 s ALA 154 Ca 0.03 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.34 2x22 s ALA 154 Cb -0.09 -3.06 0.10 0.00 0.00 0.00 0.00 23.12 20.06 2x22 s ALA 154 CO 0.03 -1.84 0.87 0.00 0.00 0.00 0.00 175.76 174.82 2x22 s MET 155 N -5.26 0.88 0.47 0.00 0.23 -1.26 -5.14 119.30 109.23 2x22 s MET 155 Ca 0.62 -0.34 -0.24 0.00 -1.03 0.00 0.00 55.69 54.69 2x22 s MET 155 Cb -0.14 0.40 -0.08 0.00 -1.53 0.00 0.00 34.83 33.48 2x22 s MET 155 CO 0.53 -0.39 1.41 -2.30 -2.03 0.00 0.00 175.02 172.25 2x22 n PRO 156 N -0.27 2.11 0.00 3.16 -0.02 -1.26 -4.15 135.00 134.58 2x22 n PRO 156 Ca -0.09 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2x22 n PRO 156 Cb 0.62 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2x22 n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x22 n ALA 157 N -0.42 0.00 0.22 3.55 0.00 -1.25 -4.61 120.51 118.02 2x22 n ALA 157 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 2x22 n ALA 157 Cb 0.42 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.40 2x22 n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2x22 h TYR 158 N 0.00 0.00 0.00 0.00 3.20 -1.87 0.19 116.97 118.49 2x22 h TYR 158 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2x22 h TYR 158 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2x22 h TYR 158 CO 0.00 0.24 0.00 0.09 -1.64 0.00 0.00 178.16 176.85 2x22 n ASN 159 N -3.75 0.00 0.27 -2.11 5.03 -1.26 -1.15 115.26 112.28 2x22 n ASN 159 Ca -0.01 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.58 2x22 n ASN 159 Cb 0.34 0.00 0.76 0.00 -1.02 0.00 0.00 39.78 39.86 2x22 n ASN 159 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2x22 h TRP 160 N 0.00 0.00 -0.56 3.10 4.06 -1.63 -1.55 115.95 119.37 2x22 h TRP 160 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 2x22 h TRP 160 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 2x22 h TRP 160 CO 0.00 0.10 0.24 1.98 -3.56 0.00 0.00 178.44 177.20 2x22 h MET 161 N 0.00 0.80 -0.94 0.49 4.05 -1.29 -1.46 114.93 116.59 2x22 h MET 161 Ca -0.00 -0.11 0.07 0.00 -0.28 0.00 0.00 59.70 59.37 2x22 h MET 161 Cb 0.33 -0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 30.92 2x22 h MET 161 CO 0.01 0.65 0.59 1.15 0.23 0.00 0.00 176.91 179.54 2x22 h THR 162 N 0.80 1.06 -0.56 -0.77 2.02 -1.07 0.63 112.91 115.01 2x22 h THR 162 Ca 0.19 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 2x22 h THR 162 Cb 0.13 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 2x22 h THR 162 CO -0.02 0.20 -0.03 0.58 0.37 0.00 0.00 175.52 176.61 2x22 h VAL 163 N 1.07 1.27 -0.33 3.16 2.07 -1.37 -0.99 116.25 121.13 2x22 h VAL 163 Ca 0.41 -1.17 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 2x22 h VAL 163 Cb 0.19 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2x22 h VAL 163 CO -0.18 0.42 -0.30 0.00 0.02 0.00 0.00 177.57 177.53 2x22 h ALA 164 N 0.95 0.85 -0.27 1.67 0.00 -0.66 -1.02 119.26 120.78 2x22 h ALA 164 Ca 0.15 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2x22 h ALA 164 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2x22 h ALA 164 CO 0.03 0.63 -0.31 0.87 0.00 0.00 0.00 179.25 180.48 2x22 h LYS 165 N 0.60 0.58 -0.43 0.00 1.79 -0.67 0.48 116.57 118.92 2x22 h LYS 165 Ca 0.07 -0.25 0.01 0.00 -2.18 0.00 0.00 60.65 58.30 2x22 h LYS 165 Cb 0.81 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 2x22 h LYS 165 CO 0.07 0.82 0.27 0.77 -1.08 0.00 0.00 179.45 180.30 2x22 h SER 166 N 0.49 0.44 -0.24 0.86 0.02 -0.89 -0.90 113.55 113.34 2x22 h SER 166 Ca 0.06 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2x22 h SER 166 Cb 0.79 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 2x22 h SER 166 CO 0.06 0.32 0.07 0.00 -1.14 0.00 0.00 176.83 176.15 2x22 h ALA 167 N 1.18 0.26 -0.93 3.77 0.00 -0.92 -2.79 119.26 119.84 2x22 h ALA 167 Ca 0.16 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2x22 h ALA 167 Cb -0.02 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2x22 h ALA 167 CO -0.06 -0.34 0.58 1.25 0.00 0.00 0.00 179.25 180.68 2x22 h LEU 168 N 0.18 0.91 -1.09 0.00 5.85 -0.49 0.79 115.31 121.47 2x22 h LEU 168 Ca 0.11 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2x22 h LEU 168 Cb 0.08 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2x22 h LEU 168 CO -0.12 0.57 0.03 -0.33 -0.34 0.00 0.00 178.44 178.25 2x22 h GLU 169 N 1.04 0.67 -0.20 1.25 5.08 -1.01 0.57 114.58 121.97 2x22 h GLU 169 Ca 0.41 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2x22 h GLU 169 Cb 0.22 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2x22 h GLU 169 CO -0.19 0.67 -0.33 1.03 -1.00 0.00 0.00 179.01 179.19 2x22 h SER 170 N 0.64 0.63 -0.58 1.42 0.87 -0.96 -3.08 113.55 112.49 2x22 h SER 170 Ca 0.13 -0.53 0.06 0.00 -1.23 0.00 0.00 61.79 60.22 2x22 h SER 170 Cb 0.36 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 2x22 h SER 170 CO 0.01 1.04 0.29 0.58 -0.53 0.00 0.00 176.83 178.22 2x22 h VAL 171 N 0.25 0.92 -0.80 2.23 2.07 -0.52 -2.56 116.25 117.85 2x22 h VAL 171 Ca 0.02 -0.19 0.14 0.00 0.82 0.00 0.00 66.70 67.48 2x22 h VAL 171 Cb 0.92 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 2x22 h VAL 171 CO 0.08 0.10 0.38 -1.13 0.02 0.00 0.00 177.57 177.01 2x22 h ASN 172 N 0.55 0.44 0.00 0.57 -1.24 -0.86 0.19 115.58 115.23 2x22 h ASN 172 Ca 0.27 0.09 -0.10 0.00 0.71 0.00 0.00 56.30 57.27 2x22 h ASN 172 Cb 0.20 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 2x22 h ASN 172 CO -0.19 0.19 -0.28 0.03 -1.29 0.00 0.00 177.43 175.89 2x22 h ARG 173 N 0.56 0.43 0.02 6.67 3.08 -1.37 -0.37 114.38 123.40 2x22 h ARG 173 Ca 0.43 -0.17 -0.24 0.00 0.07 0.00 0.00 59.98 60.07 2x22 h ARG 173 Cb 0.59 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.63 2x22 h ARG 173 CO -0.36 0.67 -1.02 0.74 -1.07 0.00 0.00 179.97 178.94 2x22 h PHE 174 N 0.38 0.72 -0.86 3.04 -1.00 -1.14 -3.14 116.94 114.93 2x22 h PHE 174 Ca 0.05 -0.41 0.03 0.00 2.81 0.00 0.00 57.97 60.46 2x22 h PHE 174 Cb 0.69 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 40.12 2x22 h PHE 174 CO 0.02 1.24 0.56 0.28 -1.61 0.00 0.00 178.31 178.80 2x22 h VAL 175 N 0.25 1.14 -0.78 -0.55 2.07 -0.46 -2.20 116.25 115.72 2x22 h VAL 175 Ca -0.10 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.12 2x22 h VAL 175 Cb 1.67 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2x22 h VAL 175 CO 0.18 0.20 0.51 0.00 0.02 0.00 0.00 177.57 178.48 2x22 h ALA 176 N 1.36 1.70 -0.53 1.67 0.00 -1.03 0.22 119.26 122.65 2x22 h ALA 176 Ca 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2x22 h ALA 176 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2x22 h ALA 176 CO -0.12 0.16 0.26 0.00 0.00 0.00 0.00 179.25 179.55 2x22 h ARG 177 N 0.79 0.76 -0.08 0.00 3.08 -1.35 -0.88 114.38 116.69 2x22 h ARG 177 Ca 0.35 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 2x22 h ARG 177 Cb 0.33 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2x22 h ARG 177 CO -0.13 0.62 -0.35 0.93 -1.07 0.00 0.00 179.97 179.97 2x22 h GLU 178 N 0.71 0.39 -0.54 0.04 4.39 -1.12 -3.27 114.58 115.17 2x22 h GLU 178 Ca 0.18 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 2x22 h GLU 178 Cb 0.11 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 2x22 h GLU 178 CO -0.02 0.94 0.23 0.00 -1.16 0.00 0.00 179.01 178.99 2x22 h ALA 179 N 0.45 1.39 -0.76 3.43 0.00 -0.51 -2.72 119.26 120.55 2x22 h ALA 179 Ca -0.02 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.90 2x22 h ALA 179 Cb 1.00 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2x22 h ALA 179 CO 0.07 0.46 0.50 0.78 0.00 0.00 0.00 179.25 181.07 2x22 h GLY 180 N 0.88 0.77 2.00 0.00 0.00 -1.00 0.16 103.07 105.88 2x22 h GLY 180 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2x22 h GLY 180 CO -0.02 0.07 -0.03 0.50 0.00 0.00 0.00 176.54 177.06 2x22 h LYS 181 N 0.46 0.00 -0.09 4.80 1.57 -1.59 0.03 116.57 121.75 2x22 h LYS 181 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2x22 h LYS 181 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2x22 h LYS 181 CO -0.12 0.03 0.00 0.66 -0.57 0.00 0.00 179.45 179.45 2x22 n TYR 182 N -3.79 0.10 -1.85 -1.35 4.02 0.39 -4.92 117.16 109.77 2x22 n TYR 182 Ca -0.03 -0.05 -0.13 0.00 -0.01 0.00 0.00 57.90 57.68 2x22 n TYR 182 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.41 2x22 n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x22 n GLY 183 N 1.22 0.55 3.68 2.72 0.00 -0.00 -3.89 105.19 109.46 2x22 n GLY 183 Ca 0.17 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2x22 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x22 s VAL 184 N -2.58 4.19 0.19 1.61 1.01 -0.18 -0.25 120.40 124.38 2x22 s VAL 184 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 2x22 s VAL 184 Cb 0.00 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 2x22 s VAL 184 CO 0.00 0.48 0.50 -0.13 0.00 0.00 0.00 175.10 175.95 2x22 s ARG 185 N -1.25 3.78 -0.06 2.72 0.52 -0.45 -2.83 118.95 121.37 2x22 s ARG 185 Ca 0.17 0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.58 2x22 s ARG 185 Cb -0.11 -2.74 0.03 0.00 0.52 0.00 0.00 34.95 32.64 2x22 s ARG 185 CO 0.07 0.38 -0.00 0.45 0.02 0.00 0.00 175.30 176.22 2x22 s SER 186 N -2.26 1.35 0.09 0.23 0.15 -1.26 0.12 113.70 112.13 2x22 s SER 186 Ca 0.44 -0.08 -0.07 0.00 0.70 0.00 0.00 55.95 56.94 2x22 s SER 186 Cb -0.12 -0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 63.77 2x22 s SER 186 CO 0.21 -0.17 0.16 0.20 1.20 0.00 0.00 173.24 174.85 2x22 s ASN 187 N 1.72 0.17 0.09 5.45 0.01 -0.49 0.47 114.94 122.36 2x22 s ASN 187 Ca 0.01 -0.75 0.06 0.00 -0.71 0.00 0.00 52.86 51.47 2x22 s ASN 187 Cb -0.13 0.33 -0.04 0.00 0.41 0.00 0.00 41.25 41.82 2x22 s ASN 187 CO -0.04 -0.73 -0.07 -0.76 -1.51 0.00 0.00 177.10 173.99 2x22 s LEU 188 N -2.89 3.16 -0.31 0.60 1.43 0.28 -1.32 118.68 119.65 2x22 s LEU 188 Ca 0.08 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 2x22 s LEU 188 Cb 0.05 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2x22 s LEU 188 CO -0.09 0.19 0.12 -0.69 0.23 0.00 0.00 176.35 176.11 2x22 s VAL 189 N -1.21 4.32 -0.63 -1.59 1.01 0.11 -1.02 120.40 121.39 2x22 s VAL 189 Ca 0.22 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 2x22 s VAL 189 Cb -0.11 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2x22 s VAL 189 CO 0.14 0.06 1.06 0.00 0.00 0.00 0.00 175.10 176.37 2x22 s ALA 190 N 1.56 3.03 0.18 5.51 0.00 0.43 -0.31 121.76 132.15 2x22 s ALA 190 Ca 0.04 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.56 2x22 s ALA 190 Cb -0.17 -3.94 -0.06 0.00 0.00 0.00 0.00 23.12 18.95 2x22 s ALA 190 CO 0.05 -2.75 0.43 0.00 0.00 0.00 0.00 175.76 173.48 2x22 s ALA 191 N 4.55 3.73 1.01 0.00 0.00 -0.81 -0.15 121.76 130.10 2x22 s ALA 191 Ca 0.31 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 2x22 s ALA 191 Cb -0.12 -2.20 0.20 0.00 0.00 0.00 0.00 23.12 21.00 2x22 s ALA 191 CO 0.16 0.59 1.12 0.20 0.00 0.00 0.00 175.76 177.83 2x22 s GLY 192 N -2.53 1.58 0.18 0.00 0.00 -0.77 -4.63 107.32 101.15 2x22 s GLY 192 Ca 0.42 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 44.26 2x22 s GLY 192 CO 0.25 0.08 1.38 2.56 0.00 0.00 0.00 173.10 177.36 2x22 s PRO 193 N -5.20 4.33 -0.03 2.90 0.04 -1.26 -5.00 135.00 130.78 2x22 s PRO 193 Ca 0.66 2.14 0.07 0.00 0.04 0.00 0.00 61.00 63.91 2x22 s PRO 193 Cb -0.15 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 2x22 s PRO 193 CO 0.56 -0.37 -0.23 0.42 0.04 0.00 0.00 177.00 177.42 2x22 s ILE 194 N 0.43 1.85 -1.55 0.56 -1.09 -1.26 -4.36 121.20 115.78 2x22 s ILE 194 Ca 0.60 -0.99 -0.10 0.00 -2.23 0.00 0.00 60.65 57.93 2x22 s ILE 194 Cb -0.38 -1.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 2x22 s ILE 194 CO 0.37 0.52 2.73 -1.14 -1.23 0.00 0.00 174.94 176.19 2x22 n ARG 195 N 2.63 3.70 -1.76 2.79 0.63 0.80 -4.63 116.66 120.81 2x22 n ARG 195 Ca -0.16 -2.49 -0.31 0.00 -0.92 0.00 0.00 57.85 53.97 2x22 n ARG 195 Cb 0.52 -2.86 0.04 0.00 0.45 0.00 0.00 32.46 30.61 2x22 n ARG 195 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2x22 s THR 196 N 1.79 4.09 0.32 5.15 2.01 -1.26 -4.89 115.64 122.85 2x22 s THR 196 Ca 0.63 0.68 0.28 0.00 0.31 0.00 0.00 61.69 63.59 2x22 s THR 196 Cb 0.17 -3.58 0.29 0.00 0.01 0.00 0.00 72.50 69.39 2x22 s THR 196 CO -0.07 -0.89 2.01 -0.07 -0.69 0.00 0.00 174.62 174.91 2x22 h LEU 197 N -0.58 0.00 -0.11 4.42 3.38 -1.90 -1.17 115.31 119.35 2x22 h LEU 197 Ca -0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2x22 h LEU 197 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2x22 h LEU 197 CO 0.61 0.14 -0.03 0.00 0.09 0.00 0.00 178.44 179.25 2x22 h ALA 198 N 1.86 0.16 0.28 1.53 0.00 -1.93 0.49 119.26 121.64 2x22 h ALA 198 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2x22 h ALA 198 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2x22 h ALA 198 CO 0.02 -0.11 -0.24 1.98 0.00 0.00 0.00 179.25 180.90 2x22 h MET 199 N -0.10 -0.52 0.27 0.00 1.85 -1.75 0.40 114.93 115.08 2x22 h MET 199 Ca 0.03 0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 2x22 h MET 199 Cb 0.44 0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.59 2x22 h MET 199 CO 0.01 -0.35 -0.13 0.77 -0.40 0.00 0.00 176.91 176.82 2x22 h SER 200 N -0.54 -0.30 0.00 1.39 0.02 -1.24 0.34 113.55 113.22 2x22 h SER 200 Ca -0.01 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2x22 h SER 200 Cb 0.48 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2x22 h SER 200 CO -0.03 0.19 -0.32 0.00 -1.14 0.00 0.00 176.83 175.53 2x22 h ALA 201 N -0.80 0.06 0.41 3.77 0.00 -0.13 -0.10 119.26 122.47 2x22 h ALA 201 Ca -0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2x22 h ALA 201 Cb 0.42 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2x22 h ALA 201 CO 0.06 0.20 -0.20 0.82 0.00 0.00 0.00 179.25 180.13 2x22 h ILE 202 N -1.00 0.39 0.06 0.00 2.04 -0.87 -0.23 117.51 117.90 2x22 h ILE 202 Ca -0.08 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2x22 h ILE 202 Cb 0.85 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2x22 h ILE 202 CO -0.05 0.08 -0.03 0.58 0.00 0.00 0.00 178.15 178.73 2x22 h VAL 203 N -0.98 1.09 -0.50 1.67 2.07 -0.23 -2.96 116.25 116.41 2x22 h VAL 203 Ca -0.06 -1.58 0.14 0.00 0.82 0.00 0.00 66.70 66.03 2x22 h VAL 203 Cb 0.55 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2x22 h VAL 203 CO 0.09 0.33 0.55 1.23 0.02 0.00 0.00 177.57 179.80 2x22 h GLY 204 N -0.92 0.00 1.87 2.17 0.00 0.16 0.39 103.07 106.75 2x22 h GLY 204 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.34 2x22 h GLY 204 CO 0.01 0.00 0.05 -1.33 0.00 0.00 0.00 176.54 175.27 2x22 h GLY 205 N 0.00 0.00 -1.97 4.60 0.00 -0.70 -3.04 103.07 101.96 2x22 h GLY 205 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2x22 h GLY 205 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2x22 n ALA 206 N -2.44 2.71 0.79 3.60 0.00 0.14 -4.55 120.51 120.76 2x22 n ALA 206 Ca -0.02 -1.63 0.08 0.00 0.00 0.00 0.00 53.44 51.87 2x22 n ALA 206 Cb 0.15 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 2x22 n ALA 206 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2x22 n LEU 207 N 0.43 1.07 0.00 0.00 4.77 -1.15 0.36 117.00 122.48 2x22 n LEU 207 Ca 0.19 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2x22 n LEU 207 Cb 0.72 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2x22 n LEU 207 CO 0.15 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2x22 n GLY 208 N 1.35 -2.03 0.18 -0.72 0.00 -1.26 -4.35 105.19 98.35 2x22 n GLY 208 Ca 0.04 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.19 2x22 n GLY 208 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x22 h GLU 209 N 0.00 0.00 -0.48 1.61 4.39 -1.98 -3.11 114.58 115.01 2x22 h GLU 209 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2x22 h GLU 209 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2x22 h GLU 209 CO 0.00 0.00 0.08 0.39 -1.16 0.00 0.00 179.01 178.32 2x22 n GLU 210 N -2.61 3.40 -0.30 2.33 1.02 -1.26 -4.74 120.64 118.48 2x22 n GLU 210 Ca 0.03 -3.02 -0.03 0.00 -0.02 0.00 0.00 57.16 54.11 2x22 n GLU 210 Cb 0.35 -2.04 0.08 0.00 -0.02 0.00 0.00 31.44 29.82 2x22 n GLU 210 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x22 h ALA 211 N 2.36 1.04 0.11 0.62 0.00 -1.74 -1.70 119.26 119.95 2x22 h ALA 211 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2x22 h ALA 211 Cb 1.85 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2x22 h ALA 211 CO 0.45 0.41 -0.05 0.78 0.00 0.00 0.00 179.25 180.84 2x22 h GLY 212 N 1.07 -0.15 0.48 0.00 0.00 -1.88 -0.30 103.07 102.28 2x22 h GLY 212 Ca 0.31 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.79 2x22 h GLY 212 CO -0.08 -0.06 0.46 0.00 0.00 0.00 0.00 176.54 176.86 2x22 h ALA 213 N 0.61 1.17 -0.30 3.60 0.00 -1.89 -1.24 119.26 121.22 2x22 h ALA 213 Ca -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2x22 h ALA 213 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2x22 h ALA 213 CO 0.02 0.06 -0.20 1.96 0.00 0.00 0.00 179.25 181.10 2x22 h GLN 214 N 0.75 0.55 -0.47 0.00 1.08 -0.76 0.59 115.11 116.85 2x22 h GLN 214 Ca 0.40 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 57.30 2x22 h GLN 214 Cb 0.40 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2x22 h GLN 214 CO -0.26 0.72 -0.16 0.82 -0.95 0.00 0.00 178.83 179.00 2x22 h ILE 215 N 0.49 1.27 -0.61 2.54 2.04 -0.59 0.89 117.51 123.53 2x22 h ILE 215 Ca 0.08 -1.30 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 2x22 h ILE 215 Cb 0.62 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2x22 h ILE 215 CO 0.04 0.45 0.03 -0.61 0.00 0.00 0.00 178.15 178.06 2x22 h GLN 216 N 0.77 1.05 -0.51 2.37 5.75 -0.89 -1.01 115.11 122.64 2x22 h GLN 216 Ca 0.11 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2x22 h GLN 216 Cb 0.72 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 2x22 h GLN 216 CO 0.05 1.01 0.23 1.25 -2.65 0.00 0.00 178.83 178.72 2x22 h LEU 217 N 0.97 0.69 -0.28 -2.39 5.85 -0.74 -0.06 115.31 119.35 2x22 h LEU 217 Ca 0.18 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2x22 h LEU 217 Cb 0.51 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2x22 h LEU 217 CO 0.02 0.65 -0.07 0.25 -0.34 0.00 0.00 178.44 178.95 2x22 h LEU 218 N 0.69 -0.27 -0.30 2.25 5.85 -0.52 -0.69 115.31 122.31 2x22 h LEU 218 Ca 0.17 0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.03 2x22 h LEU 218 Cb 0.16 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2x22 h LEU 218 CO -0.02 -0.10 0.03 -0.08 -0.34 0.00 0.00 178.44 177.93 2x22 h GLU 219 N -0.01 0.12 -0.58 1.25 4.57 -0.73 -0.61 114.58 118.60 2x22 h GLU 219 Ca 0.13 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 2x22 h GLU 219 Cb 0.21 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2x22 h GLU 219 CO -0.29 0.08 0.27 0.93 -1.18 0.00 0.00 179.01 178.82 2x22 h GLU 220 N 0.13 0.84 -0.45 1.92 4.39 -0.60 -0.10 114.58 120.70 2x22 h GLU 220 Ca 0.14 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 2x22 h GLU 220 Cb 0.17 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2x22 h GLU 220 CO -0.21 0.69 -0.25 0.78 -1.16 0.00 0.00 179.01 178.85 2x22 h GLY 221 N 0.79 1.02 0.98 -3.84 0.00 -0.95 -1.33 103.07 99.75 2x22 h GLY 221 Ca 0.20 -0.93 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 2x22 h GLY 221 CO -0.02 0.85 0.09 -0.25 0.00 0.00 0.00 176.54 177.20 2x22 h TRP 222 N 0.81 0.86 -0.68 5.60 2.91 -0.83 -1.02 115.95 123.60 2x22 h TRP 222 Ca 0.10 -0.11 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 2x22 h TRP 222 Cb 0.83 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.21 2x22 h TRP 222 CO 0.05 0.78 0.28 0.22 -1.03 0.00 0.00 178.44 178.74 2x22 h ASP 223 N 0.69 0.93 -0.22 2.65 3.58 -0.99 -0.38 116.42 122.68 2x22 h ASP 223 Ca 0.15 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.45 2x22 h ASP 223 Cb 0.38 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2x22 h ASP 223 CO 0.01 0.84 0.12 1.56 -2.88 0.00 0.00 179.24 178.88 2x22 h GLN 224 N 0.96 0.24 -0.23 0.28 4.20 -1.05 -3.24 115.11 116.28 2x22 h GLN 224 Ca 0.23 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.79 2x22 h GLN 224 Cb 0.19 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2x22 h GLN 224 CO -0.02 0.16 -0.41 -0.09 -0.67 0.00 0.00 178.83 177.80 2x22 h ARG 225 N 0.25 0.53 -6.27 1.46 2.43 -0.99 -3.43 114.38 108.37 2x22 h ARG 225 Ca 0.09 -0.27 -0.57 0.00 -0.81 0.00 0.00 59.98 58.42 2x22 h ARG 225 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2x22 h ARG 225 CO -0.05 0.85 1.20 0.00 -1.51 0.00 0.00 179.97 180.46 2x22 s ALA 226 N -4.23 3.14 0.44 2.80 0.00 -0.17 -4.44 121.76 119.29 2x22 s ALA 226 Ca -0.07 0.48 0.18 0.00 0.00 0.00 0.00 51.96 52.55 2x22 s ALA 226 Cb 0.12 -3.91 1.11 0.00 0.00 0.00 0.00 23.12 20.44 2x22 s ALA 226 CO 0.82 -2.18 1.91 -1.35 0.00 0.00 0.00 175.76 174.96 2x22 h PRO 227 N 11.61 0.35 -0.68 0.00 0.11 -1.74 -0.66 132.00 140.99 2x22 h PRO 227 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2x22 h PRO 227 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2x22 h PRO 227 CO 1.00 0.23 0.00 0.44 -0.21 0.00 0.00 178.00 179.47 2x22 n ILE 228 N -4.47 1.08 0.00 4.15 -5.35 -1.21 -5.07 119.36 108.49 2x22 n ILE 228 Ca 0.15 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 2x22 n ILE 228 Cb 0.60 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 2x22 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x22 n GLY 229 N 1.48 -1.59 3.60 3.28 0.00 -0.26 -5.04 105.19 106.66 2x22 n GLY 229 Ca 0.23 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 2x22 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2x22 s TRP 230 N -1.67 -0.90 -0.29 1.61 -0.11 -1.26 -4.57 118.94 111.75 2x22 s TRP 230 Ca 0.00 1.96 0.01 0.00 1.22 0.00 0.00 56.10 59.29 2x22 s TRP 230 Cb 0.00 0.45 0.08 0.00 -1.50 0.00 0.00 33.47 32.50 2x22 s TRP 230 CO 0.00 -0.44 0.02 1.21 -4.62 0.00 0.00 176.95 173.12 2x22 s ASN 231 N 1.05 4.14 0.64 5.86 2.47 -1.26 -4.44 114.94 123.41 2x22 s ASN 231 Ca -0.05 -1.59 0.43 0.00 0.42 0.00 0.00 52.86 52.07 2x22 s ASN 231 Cb -0.05 -1.19 2.26 0.00 -1.45 0.00 0.00 41.25 40.81 2x22 s ASN 231 CO -0.10 -0.33 2.30 0.24 -3.72 0.00 0.00 177.10 175.49 2x22 h MET 232 N 7.91 0.00 0.00 0.43 2.86 -1.93 -1.97 114.93 122.22 2x22 h MET 232 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2x22 h MET 232 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2x22 h MET 232 CO 0.46 0.00 0.00 1.63 1.06 0.00 0.00 176.91 180.06 2x22 n LYS 233 N -3.06 0.15 -4.00 1.72 4.01 -1.26 -0.14 118.16 115.57 2x22 n LYS 233 Ca -0.02 0.01 -0.32 0.00 -0.51 0.00 0.00 58.31 57.47 2x22 n LYS 233 Cb 0.10 -1.50 -0.15 0.00 -0.51 0.00 0.00 35.03 32.98 2x22 n LYS 233 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2x22 s ASP 234 N -2.85 4.76 0.24 4.39 2.15 -0.74 -4.93 116.67 119.69 2x22 s ASP 234 Ca 0.19 -1.97 0.24 0.00 0.43 0.00 0.00 52.55 51.44 2x22 s ASP 234 Cb 0.19 -1.64 0.93 0.00 -0.30 0.00 0.00 42.92 42.10 2x22 s ASP 234 CO 0.49 -0.35 1.73 0.00 -0.17 0.00 0.00 175.17 176.87 2x22 n ALA 235 N 4.33 1.87 -0.16 3.66 0.00 -1.26 -4.31 120.51 124.64 2x22 n ALA 235 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 2x22 n ALA 235 Cb 0.42 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.51 2x22 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2x22 h THR 236 N 0.00 0.90 -0.64 0.00 2.02 -1.95 -1.30 112.91 111.94 2x22 h THR 236 Ca 0.00 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.05 2x22 h THR 236 Cb 0.49 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2x22 h THR 236 CO 0.00 0.08 0.42 -0.65 0.37 0.00 0.00 175.52 175.74 2x22 h PRO 237 N 0.43 0.80 -0.25 6.66 0.11 -1.99 0.58 132.00 138.34 2x22 h PRO 237 Ca 0.23 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.21 2x22 h PRO 237 Cb 0.19 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2x22 h PRO 237 CO -0.20 0.53 -0.17 0.28 -0.21 0.00 0.00 178.00 178.23 2x22 h VAL 238 N 0.82 1.31 -0.61 3.15 2.07 -1.57 -2.10 116.25 119.32 2x22 h VAL 238 Ca 0.24 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 2x22 h VAL 238 Cb -0.04 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2x22 h VAL 238 CO -0.06 0.41 0.17 0.00 0.02 0.00 0.00 177.57 178.11 2x22 h ALA 239 N 0.71 0.80 -0.76 1.67 0.00 -0.73 -1.80 119.26 119.14 2x22 h ALA 239 Ca 0.05 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2x22 h ALA 239 Cb 0.71 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2x22 h ALA 239 CO 0.05 0.49 0.51 0.87 0.00 0.00 0.00 179.25 181.17 2x22 h LYS 240 N 0.88 0.95 -0.51 0.00 1.57 -0.91 -1.42 116.57 117.13 2x22 h LYS 240 Ca 0.19 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2x22 h LYS 240 Cb 0.32 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2x22 h LYS 240 CO -0.00 0.63 0.12 1.15 -0.57 0.00 0.00 179.45 180.77 2x22 h THR 241 N 0.98 1.24 -0.24 -0.16 2.02 -0.63 0.10 112.91 116.21 2x22 h THR 241 Ca 0.29 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 2x22 h THR 241 Cb -0.02 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2x22 h THR 241 CO -0.08 0.31 0.11 0.58 0.37 0.00 0.00 175.52 176.82 2x22 h VAL 242 N 0.71 1.15 -0.85 3.16 2.07 -1.13 -2.20 116.25 119.17 2x22 h VAL 242 Ca 0.16 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.30 2x22 h VAL 242 Cb 0.34 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 2x22 h VAL 242 CO 0.00 0.16 0.51 0.00 0.02 0.00 0.00 177.57 178.26 2x22 h ALA 244 N 1.43 0.45 -0.07 0.00 0.00 -0.51 0.88 119.26 121.44 2x22 h ALA 244 Ca 0.39 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.36 2x22 h ALA 244 Cb 0.27 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2x22 h ALA 244 CO -0.21 -0.38 -0.31 -0.07 0.00 0.00 0.00 179.25 178.28 2x22 h LEU 245 N 0.12 0.12 -0.17 0.00 3.38 -0.73 -2.53 115.31 115.50 2x22 h LEU 245 Ca 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2x22 h LEU 245 Cb 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2x22 h LEU 245 CO -0.40 0.43 0.00 -0.07 0.09 0.00 0.00 178.44 178.50 2x22 h LEU 246 N 0.11 0.00 0.00 1.67 3.38 -0.18 -3.46 115.31 116.84 2x22 h LEU 246 Ca 0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 2x22 h LEU 246 Cb 0.61 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.46 2x22 h LEU 246 CO 0.04 0.00 0.23 -1.54 0.09 0.00 0.00 178.44 177.27 2x22 n SER 247 N -2.59 -0.04 -1.26 -0.43 3.41 0.22 -4.83 113.62 108.10 2x22 n SER 247 Ca 0.04 -1.25 0.10 0.00 -0.26 0.00 0.00 58.87 57.50 2x22 n SER 247 Cb 0.44 -0.58 0.30 0.00 -0.26 0.00 0.00 64.21 64.10 2x22 n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2x22 n ASP 248 N -3.53 3.68 0.03 4.04 8.00 -1.26 -4.39 116.55 123.12 2x22 n ASP 248 Ca 0.09 -2.09 0.13 0.00 0.71 0.00 0.00 54.79 53.63 2x22 n ASP 248 Cb 0.33 -0.46 0.34 0.00 -0.02 0.00 0.00 41.12 41.30 2x22 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2x22 n TRP 249 N 1.31 0.29 -3.17 1.24 7.02 -1.26 -4.05 117.44 118.82 2x22 n TRP 249 Ca 0.22 0.08 -0.27 0.00 -1.02 0.00 0.00 57.50 56.52 2x22 n TRP 249 Cb 0.61 -0.52 -0.06 0.00 -2.42 0.00 0.00 31.31 28.92 2x22 n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2x22 n LEU 250 N -1.78 3.98 -0.12 -0.99 4.77 -1.26 -4.94 117.00 116.66 2x22 n LEU 250 Ca 0.05 -5.54 0.14 0.00 -0.03 0.00 0.00 56.01 50.63 2x22 n LEU 250 Cb 0.38 -0.55 0.50 0.00 -2.33 0.00 0.00 43.42 41.43 2x22 n LEU 250 CO 0.33 2.22 0.77 -0.81 -1.33 0.00 0.00 177.39 178.56 2x22 n PRO 251 N 0.29 0.55 -0.37 3.23 -0.04 -1.26 -3.52 135.00 133.88 2x22 n PRO 251 Ca 0.30 -0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 2x22 n PRO 251 Cb 0.41 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.60 2x22 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x22 n ALA 252 N -1.02 2.75 -3.44 0.55 0.00 -1.26 -4.96 120.51 113.12 2x22 n ALA 252 Ca 0.12 -1.91 -0.35 0.00 0.00 0.00 0.00 53.44 51.30 2x22 n ALA 252 Cb 0.31 -0.64 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 2x22 n ALA 252 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2x22 s THR 253 N -2.21 3.40 0.10 0.00 2.01 -1.23 -5.09 115.64 112.62 2x22 s THR 253 Ca 0.36 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 2x22 s THR 253 Cb 0.27 -2.54 0.04 0.00 0.01 0.00 0.00 72.50 70.28 2x22 s THR 253 CO 0.12 0.43 0.45 0.28 -0.69 0.00 0.00 174.62 175.21 2x22 s THR 254 N 1.36 0.05 -0.74 -0.82 -1.32 -1.26 -4.64 115.64 108.28 2x22 s THR 254 Ca 0.04 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 2x22 s THR 254 Cb -0.14 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 2x22 s THR 254 CO -0.02 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 2x22 n GLY 255 N 0.01 0.84 2.97 6.08 0.00 0.18 -4.95 105.19 110.33 2x22 n GLY 255 Ca -0.17 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 2x22 n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x22 n ASP 256 N -0.21 2.90 -3.85 1.61 -0.08 -1.22 -4.47 116.55 111.23 2x22 n ASP 256 Ca -0.07 -2.70 -0.21 0.00 -1.51 0.00 0.00 54.79 50.30 2x22 n ASP 256 Cb 0.35 0.18 -0.17 0.00 2.34 0.00 0.00 41.12 43.83 2x22 n ASP 256 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2x22 s ILE 257 N -2.38 0.45 -0.18 5.18 1.01 -1.26 -0.55 121.20 123.46 2x22 s ILE 257 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 2x22 s ILE 257 Cb -0.01 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 2x22 s ILE 257 CO 0.05 0.23 -0.02 -0.63 0.00 0.00 0.00 174.94 174.57 2x22 s ILE 258 N 1.27 3.86 -0.35 2.92 -1.09 -0.18 -4.96 121.20 122.66 2x22 s ILE 258 Ca -0.06 -0.35 -0.21 0.00 -2.23 0.00 0.00 60.65 57.80 2x22 s ILE 258 Cb -0.14 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 2x22 s ILE 258 CO -0.02 0.46 0.65 -0.31 -1.23 0.00 0.00 174.94 174.49 2x22 s TYR 259 N 0.74 3.15 -0.90 3.97 1.51 -1.26 -0.43 117.35 124.13 2x22 s TYR 259 Ca -0.01 0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 56.43 2x22 s TYR 259 Cb -0.14 -3.15 0.27 0.00 -0.11 0.00 0.00 41.96 38.83 2x22 s TYR 259 CO 0.02 -0.63 1.09 0.00 -1.11 0.00 0.00 175.55 174.93 2x22 n ALA 260 N 6.07 4.52 -1.66 3.71 0.00 0.79 -4.76 120.51 129.18 2x22 n ALA 260 Ca -0.01 -4.76 0.02 0.00 0.00 0.00 0.00 53.44 48.69 2x22 n ALA 260 Cb 0.49 -1.74 0.02 0.00 0.00 0.00 0.00 19.45 18.22 2x22 n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2x22 n ASP 261 N 1.38 0.44 -0.17 0.00 5.75 -1.26 -1.85 116.55 120.84 2x22 n ASP 261 Ca 0.27 -2.05 -0.02 0.00 -0.01 0.00 0.00 54.79 52.98 2x22 n ASP 261 Cb 0.37 -0.21 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 2x22 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x22 n GLY 262 N -0.25 0.47 2.09 6.12 0.00 -1.26 -2.67 105.19 109.70 2x22 n GLY 262 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2x22 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x22 n GLY 263 N -1.40 0.47 0.32 -0.02 0.00 -1.26 -2.68 105.19 100.63 2x22 n GLY 263 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 2x22 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x22 h ALA 264 N 0.00 1.37 0.00 4.61 0.00 -1.72 -2.05 119.26 121.46 2x22 h ALA 264 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2x22 h ALA 264 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2x22 h ALA 264 CO 0.00 -0.01 0.00 -2.39 0.00 0.00 0.00 179.25 176.85 2x22 n HIS 265 N -4.80 0.00 0.89 0.00 1.44 -1.26 -2.12 115.22 109.37 2x22 n HIS 265 Ca 0.18 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 2x22 n HIS 265 Cb 0.43 -0.47 0.22 0.00 0.12 0.00 0.00 29.99 30.29 2x22 n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2x22 n THR 266 N -1.47 0.17 -4.93 0.61 -2.24 -0.77 -4.91 114.28 100.74 2x22 n THR 266 Ca 0.04 -0.52 -0.27 0.00 -2.27 0.00 0.00 64.05 61.02 2x22 n THR 266 Cb 0.15 1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 69.32 2x22 n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2x22 s GLN 267 N -1.83 1.92 0.01 -0.78 -1.52 -0.90 -5.04 119.66 111.51 2x22 s GLN 267 Ca 0.33 -0.67 -0.18 0.00 -1.95 0.00 0.00 55.36 52.88 2x22 s GLN 267 Cb 0.21 -1.67 -0.27 0.00 -0.22 0.00 0.00 33.01 31.06 2x22 s GLN 267 CO 0.31 0.29 1.06 1.25 -0.25 0.00 0.00 175.29 177.94 2x22 h LEU 268 N 6.16 0.66 0.00 2.90 5.85 -1.91 -3.49 115.31 125.49 2x22 h LEU 268 Ca -0.33 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.57 2x22 h LEU 268 Cb 1.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2x22 h LEU 268 CO 0.48 1.42 0.00 -0.11 -0.34 0.00 0.00 178.44 179.88