#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 2.72 0.42 1.09 0.00 -1.26 -4.96 107.32 105.33 2x22 s GLY 3 Ca 0.00 0.31 0.17 0.00 0.00 0.00 0.00 44.72 45.21 2x22 s GLY 3 CO 0.00 0.72 1.88 -2.00 0.00 0.00 0.00 173.10 173.70 2x22 h LEU 4 N 3.44 0.39 -2.99 0.66 6.46 -1.90 -2.68 115.31 118.69 2x22 h LEU 4 Ca -0.47 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 2x22 h LEU 4 Cb 1.19 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.03 2x22 h LEU 4 CO 0.65 0.18 -0.53 0.18 -0.62 0.00 0.00 178.44 178.29 2x22 n LEU 5 N -4.49 2.45 -4.68 2.25 4.32 -0.29 -4.75 117.00 111.81 2x22 n LEU 5 Ca 0.17 -3.59 -0.46 0.00 -0.02 0.00 0.00 56.01 52.11 2x22 n LEU 5 Cb 0.64 -0.45 -0.04 0.00 -1.62 0.00 0.00 43.42 41.94 2x22 n LEU 5 CO 0.32 1.24 1.46 -0.67 -1.22 0.00 0.00 177.39 178.51 2x22 n ASP 6 N -0.93 3.62 0.00 -1.43 -0.08 -0.96 -1.24 116.55 115.53 2x22 n ASP 6 Ca 0.17 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 2x22 n ASP 6 Cb 0.74 -1.44 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 4.22 1.53 3.76 0.27 0.00 -1.17 -4.96 105.19 108.83 2x22 n GLY 7 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.05 4.73 -0.28 1.61 1.02 -0.37 -4.83 119.74 121.57 2x22 s LYS 8 Ca 0.00 1.63 -0.11 0.00 0.02 0.00 0.00 55.97 57.52 2x22 s LYS 8 Cb 0.00 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 2x22 s LYS 8 CO 0.00 0.35 0.18 1.03 -0.92 0.00 0.00 175.35 175.99 2x22 s ARG 9 N -1.37 3.87 -0.08 1.68 0.52 -1.26 -0.83 118.95 121.48 2x22 s ARG 9 Ca 0.43 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 2x22 s ARG 9 Cb -0.28 -3.62 0.02 0.00 0.52 0.00 0.00 34.95 31.59 2x22 s ARG 9 CO 0.36 -0.20 -0.07 0.42 0.02 0.00 0.00 175.30 175.83 2x22 s ILE 10 N 1.73 0.86 -0.09 1.52 1.01 -0.60 0.33 121.20 125.96 2x22 s ILE 10 Ca 0.07 -0.25 -0.23 0.00 0.00 0.00 0.00 60.65 60.24 2x22 s ILE 10 Cb -0.16 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2x22 s ILE 10 CO 0.10 0.32 0.68 -0.22 0.00 0.00 0.00 174.94 175.82 2x22 s LEU 11 N 1.28 4.29 -0.19 2.97 0.20 -0.54 -1.25 118.68 125.43 2x22 s LEU 11 Ca -0.04 1.12 0.01 0.00 0.69 0.00 0.00 54.13 55.91 2x22 s LEU 11 Cb -0.14 -3.04 0.03 0.00 -0.43 0.00 0.00 46.19 42.61 2x22 s LEU 11 CO -0.03 -0.14 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.03 2x22 s VAL 12 N 0.98 2.03 0.22 1.68 1.01 -0.16 0.63 120.40 126.79 2x22 s VAL 12 Ca 0.36 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2x22 s VAL 12 Cb -0.17 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2x22 s VAL 12 CO 0.16 0.40 0.36 -0.94 0.00 0.00 0.00 175.10 175.09 2x22 s SER 13 N 1.27 6.33 0.00 3.32 1.04 -0.52 -1.41 113.70 123.74 2x22 s SER 13 Ca 0.02 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2x22 s SER 13 Cb -0.15 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2x22 s SER 13 CO -0.11 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2x22 n GLY 14 N -1.05 0.84 3.70 7.32 0.00 -1.19 -3.61 105.19 111.20 2x22 n GLY 14 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 3.68 0.00 -0.61 1.01 -1.26 -4.55 121.20 117.47 2x22 s ILE 15 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.79 2x22 s ILE 15 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2x22 s ILE 15 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 174.94 174.98 2x22 n ILE 16 N 4.31 0.00 -4.43 2.92 0.13 -1.26 -4.72 119.36 116.32 2x22 n ILE 16 Ca 0.12 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.54 2x22 n ILE 16 Cb 0.44 -0.72 -0.08 0.00 -0.84 0.00 0.00 39.64 38.44 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 -1.94 0.44 -1.98 9.51 -4.23 -1.26 -4.54 115.64 111.64 2x22 s THR 17 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2x22 s THR 17 Cb 0.00 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.42 2x22 s THR 17 CO 0.00 0.00 0.96 -0.90 -0.54 0.00 0.00 174.62 174.14 2x22 n ASP 18 N -1.26 0.02 -0.01 3.99 5.75 -1.26 -2.14 116.55 121.65 2x22 n ASP 18 Ca -0.02 -1.95 0.08 0.00 -0.01 0.00 0.00 54.79 52.90 2x22 n ASP 18 Cb 0.64 -0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.63 2x22 n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2x22 n SER 19 N -0.49 0.83 -4.75 -1.12 7.64 -1.26 -4.86 113.62 109.61 2x22 n SER 19 Ca 0.00 -0.92 -0.42 0.00 1.01 0.00 0.00 58.87 58.55 2x22 n SER 19 Cb 0.01 0.99 -0.01 0.00 -1.01 0.00 0.00 64.21 64.19 2x22 n SER 19 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2x22 n SER 20 N -1.39 3.73 -0.27 6.43 7.64 -0.91 -4.56 113.62 124.28 2x22 n SER 20 Ca 0.03 1.18 0.06 0.00 1.01 0.00 0.00 58.87 61.15 2x22 n SER 20 Cb 0.27 -1.59 0.20 0.00 -1.01 0.00 0.00 64.21 62.08 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 3.14 0.70 -0.71 0.44 2.04 -1.90 -0.73 117.51 120.49 2x22 h ILE 21 Ca -0.48 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.26 2x22 h ILE 21 Cb 1.24 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 2x22 h ILE 21 CO 0.73 0.10 0.47 0.00 0.00 0.00 0.00 178.15 179.44 2x22 h ALA 22 N 1.54 1.69 -0.32 1.87 0.00 -1.86 -0.21 119.26 121.98 2x22 h ALA 22 Ca 0.43 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.34 2x22 h ALA 22 Cb 0.62 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2x22 h ALA 22 CO -0.38 0.20 0.17 0.35 0.00 0.00 0.00 179.25 179.59 2x22 h PHE 23 N 0.76 0.31 -0.05 0.00 3.57 -1.38 -1.40 116.94 118.75 2x22 h PHE 23 Ca 0.30 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.65 2x22 h PHE 23 Cb 0.22 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2x22 h PHE 23 CO -0.00 0.17 -0.69 0.45 -2.23 0.00 0.00 178.31 176.01 2x22 h HIS 24 N 0.35 0.31 0.19 0.41 3.86 -1.03 -0.24 115.15 119.00 2x22 h HIS 24 Ca 0.13 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2x22 h HIS 24 Cb 0.03 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2x22 h HIS 24 CO -0.09 0.85 -0.27 0.82 0.86 0.00 0.00 177.93 180.10 2x22 h ILE 25 N 0.16 0.42 -0.16 2.45 2.04 -1.00 -0.48 117.51 120.95 2x22 h ILE 25 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2x22 h ILE 25 Cb 1.23 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 2x22 h ILE 25 CO 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 178.04 2x22 h ALA 26 N 0.16 -0.15 -0.04 1.87 0.00 -1.13 0.12 119.26 120.10 2x22 h ALA 26 Ca 0.01 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2x22 h ALA 26 Cb 0.51 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2x22 h ALA 26 CO -0.11 -0.66 -0.21 -0.09 0.00 0.00 0.00 179.25 178.18 2x22 h ARG 27 N -0.26 -0.30 -0.80 0.00 2.43 -0.90 0.58 114.38 115.14 2x22 h ARG 27 Ca 0.11 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2x22 h ARG 27 Cb 0.42 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 2x22 h ARG 27 CO -0.31 -0.20 0.39 0.28 -1.51 0.00 0.00 179.97 178.62 2x22 h VAL 28 N -0.31 1.25 -0.82 0.20 2.07 -0.96 -1.25 116.25 116.42 2x22 h VAL 28 Ca 0.07 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2x22 h VAL 28 Cb 0.41 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2x22 h VAL 28 CO -0.22 0.30 0.38 0.00 0.02 0.00 0.00 177.57 178.06 2x22 h ALA 29 N 1.20 1.06 -0.35 1.67 0.00 -0.14 -2.01 119.26 120.68 2x22 h ALA 29 Ca 0.28 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2x22 h ALA 29 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2x22 h ALA 29 CO -0.03 0.63 -0.04 1.96 0.00 0.00 0.00 179.25 181.76 2x22 h GLN 30 N 1.16 0.65 -0.85 0.00 4.20 -0.59 -0.89 115.11 118.79 2x22 h GLN 30 Ca 0.28 -0.23 0.23 0.00 0.06 0.00 0.00 58.65 58.99 2x22 h GLN 30 Cb 0.13 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2x22 h GLN 30 CO -0.03 0.79 0.59 0.93 -0.67 0.00 0.00 178.83 180.44 2x22 h GLU 31 N 0.45 0.13 -0.62 1.46 5.08 -1.02 0.10 114.58 120.17 2x22 h GLU 31 Ca 0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2x22 h GLU 31 Cb 0.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2x22 h GLU 31 CO 0.03 0.09 0.00 1.04 -1.00 0.00 0.00 179.01 179.17 2x22 n GLN 32 N -4.37 3.04 -0.44 2.33 1.13 -0.78 -4.91 117.38 113.39 2x22 n GLN 32 Ca 0.18 -2.27 0.00 0.00 -1.94 0.00 0.00 57.00 52.97 2x22 n GLN 32 Cb 0.83 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 29.47 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 1.07 0.73 3.76 1.08 0.00 0.35 -1.13 105.19 111.05 2x22 n GLY 33 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.79 2.63 -0.24 4.61 0.00 -0.40 -3.07 121.76 122.51 2x22 s ALA 34 Ca 0.00 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 2x22 s ALA 34 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2x22 s ALA 34 CO 0.00 -0.95 0.07 -0.65 0.00 0.00 0.00 175.76 174.22 2x22 s GLN 35 N -3.29 3.68 0.15 0.00 -1.52 -0.01 -4.50 119.66 114.17 2x22 s GLN 35 Ca 0.75 -0.47 0.04 0.00 -1.95 0.00 0.00 55.36 53.73 2x22 s GLN 35 Cb -0.27 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.17 2x22 s GLN 35 CO 0.30 -0.14 0.15 -0.51 -0.25 0.00 0.00 175.29 174.84 2x22 s LEU 36 N 1.48 3.89 -0.11 2.90 1.43 -1.26 -1.56 118.68 125.45 2x22 s LEU 36 Ca 0.06 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2x22 s LEU 36 Cb -0.15 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.57 2x22 s LEU 36 CO 0.04 0.08 -0.19 -0.69 0.23 0.00 0.00 176.35 175.82 2x22 s VAL 37 N -1.69 1.79 -0.09 -1.59 1.01 -0.38 -4.19 120.40 115.26 2x22 s VAL 37 Ca 0.31 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2x22 s VAL 37 Cb -0.11 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2x22 s VAL 37 CO 0.24 0.50 0.11 -0.76 0.00 0.00 0.00 175.10 175.19 2x22 s LEU 38 N 0.75 4.19 0.08 3.92 1.43 0.45 -0.99 118.68 128.50 2x22 s LEU 38 Ca -0.10 0.37 0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2x22 s LEU 38 Cb -0.16 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2x22 s LEU 38 CO 0.01 0.38 -0.23 0.42 0.23 0.00 0.00 176.35 177.16 2x22 s THR 39 N -1.05 2.47 0.06 5.49 -4.23 -0.50 -0.00 115.64 117.88 2x22 s THR 39 Ca 0.17 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2x22 s THR 39 Cb -0.12 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 2x22 s THR 39 CO 0.06 0.25 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.51 2x22 s GLY 40 N -1.64 0.54 -0.11 3.99 0.00 -0.44 -3.17 107.32 106.50 2x22 s GLY 40 Ca 0.14 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.83 2x22 s GLY 40 CO 0.05 -1.15 -0.23 -0.12 0.00 0.00 0.00 173.10 171.65 2x22 s PHE 41 N -2.91 2.56 0.00 1.90 5.36 -1.26 -0.63 117.98 123.00 2x22 s PHE 41 Ca 0.01 -1.11 0.00 0.00 -0.96 0.00 0.00 56.93 54.88 2x22 s PHE 41 Cb 0.01 -1.72 0.00 0.00 -0.34 0.00 0.00 43.02 40.97 2x22 s PHE 41 CO -0.05 -0.46 0.00 -3.47 -1.46 0.00 0.00 175.22 169.78 2x22 n ASP 42 N 3.66 0.00 -3.84 6.13 2.03 -1.26 -4.52 116.55 118.74 2x22 n ASP 42 Ca -0.19 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.70 2x22 n ASP 42 Cb 0.53 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.94 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 4.86 0.12 -0.67 5.12 -1.26 -4.80 116.66 120.03 2x22 n ARG 43 Ca 0.00 -4.56 0.00 0.00 -1.93 0.00 0.00 57.85 51.37 2x22 n ARG 43 Cb 0.00 -2.51 0.31 0.00 -1.16 0.00 0.00 32.46 29.11 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 5.00 0.20 -0.17 0.55 3.38 -1.94 -0.71 115.31 121.63 2x22 h LEU 44 Ca 0.35 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2x22 h LEU 44 Cb 0.49 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2x22 h LEU 44 CO 1.29 0.49 -0.04 0.03 0.09 0.00 0.00 178.44 180.29 2x22 h ARG 45 N 0.18 0.32 -0.04 1.13 3.08 -1.98 0.10 114.38 117.17 2x22 h ARG 45 Ca 0.03 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.97 2x22 h ARG 45 Cb 0.61 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2x22 h ARG 45 CO 0.04 0.60 -0.05 1.25 -1.07 0.00 0.00 179.97 180.74 2x22 h LEU 46 N 0.02 -0.14 -0.64 3.04 5.85 -1.90 -2.17 115.31 119.37 2x22 h LEU 46 Ca 0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2x22 h LEU 46 Cb 0.48 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 2x22 h LEU 46 CO 0.02 -0.07 0.41 0.40 -0.34 0.00 0.00 178.44 178.86 2x22 h ILE 47 N -0.07 1.13 -0.65 4.05 2.04 -1.05 -0.10 117.51 122.87 2x22 h ILE 47 Ca 0.03 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.68 2x22 h ILE 47 Cb 0.11 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.35 2x22 h ILE 47 CO -0.08 0.15 0.33 -0.61 0.00 0.00 0.00 178.15 177.94 2x22 h GLN 48 N 0.83 0.57 -0.29 2.37 5.75 -0.67 0.17 115.11 123.83 2x22 h GLN 48 Ca 0.25 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 2x22 h GLN 48 Cb -0.05 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 2x22 h GLN 48 CO -0.07 0.38 0.17 0.00 -2.65 0.00 0.00 178.83 176.65 2x22 h ARG 49 N 0.58 0.40 -0.24 1.69 3.08 -0.61 -2.61 114.38 116.68 2x22 h ARG 49 Ca 0.31 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2x22 h ARG 49 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2x22 h ARG 49 CO -0.23 0.33 0.07 0.82 -1.07 0.00 0.00 179.97 179.89 2x22 h ILE 50 N 0.36 1.20 0.00 2.04 1.08 -0.71 -2.73 117.51 118.75 2x22 h ILE 50 Ca 0.10 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 2x22 h ILE 50 Cb 0.04 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2x22 h ILE 50 CO -0.02 0.20 0.00 0.35 -0.69 0.00 0.00 178.15 177.99 2x22 n THR 51 N -4.75 0.93 1.33 -0.27 -2.24 0.56 -0.81 114.28 109.03 2x22 n THR 51 Ca -0.03 0.23 0.14 0.00 -2.27 0.00 0.00 64.05 62.12 2x22 n THR 51 Cb 0.16 -0.97 0.70 0.00 -2.10 0.00 0.00 70.33 68.12 2x22 n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2x22 n ASP 52 N -1.49 0.00 -0.22 3.42 10.43 -0.99 -2.66 116.55 125.05 2x22 n ASP 52 Ca 0.04 -0.14 0.12 0.00 2.57 0.00 0.00 54.79 57.38 2x22 n ASP 52 Cb 0.17 -0.28 0.26 0.00 1.84 0.00 0.00 41.12 43.12 2x22 n ASP 52 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2x22 n ARG 53 N -1.28 0.68 -1.74 -1.24 1.74 0.01 -4.93 116.66 109.92 2x22 n ARG 53 Ca 0.13 -0.45 -0.34 0.00 -0.77 0.00 0.00 57.85 56.43 2x22 n ARG 53 Cb 0.22 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.63 3.44 0.50 0.55 1.43 -1.09 -4.93 118.68 115.95 2x22 s LEU 54 Ca 0.20 2.18 0.26 0.00 -1.03 0.00 0.00 54.13 55.74 2x22 s LEU 54 Cb 0.18 -4.57 1.35 0.00 0.03 0.00 0.00 46.19 43.18 2x22 s LEU 54 CO 0.59 -1.79 1.91 -0.65 0.23 0.00 0.00 176.35 176.64 2x22 h PRO 55 N 0.15 0.11 -3.62 1.29 0.11 -1.90 -3.43 132.00 124.71 2x22 h PRO 55 Ca -0.48 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 2x22 h PRO 55 Cb 1.27 -0.03 -0.18 0.00 0.11 0.00 0.00 31.00 32.17 2x22 h PRO 55 CO 0.53 0.08 -0.46 0.00 -0.21 0.00 0.00 178.00 177.94 2x22 s ALA 56 N -5.11 -0.26 0.43 -0.75 0.00 -1.26 -5.11 121.76 109.70 2x22 s ALA 56 Ca -0.06 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 2x22 s ALA 56 Cb 0.21 0.22 -0.08 0.00 0.00 0.00 0.00 23.12 23.48 2x22 s ALA 56 CO 0.77 -0.31 1.33 0.21 0.00 0.00 0.00 175.76 177.76 2x22 s LYS 57 N -2.26 3.81 -0.05 0.00 2.20 -1.26 -5.01 119.74 117.16 2x22 s LYS 57 Ca -0.08 2.21 -0.13 0.00 -0.36 0.00 0.00 55.97 57.61 2x22 s LYS 57 Cb -0.03 -2.67 0.03 0.00 -1.51 0.00 0.00 37.83 33.65 2x22 s LYS 57 CO -0.03 -0.64 0.31 0.00 -0.36 0.00 0.00 175.35 174.63 2x22 s ALA 58 N -1.27 -0.77 0.47 3.13 0.00 -1.26 -4.87 121.76 117.19 2x22 s ALA 58 Ca 0.60 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 2x22 s ALA 58 Cb -0.39 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.51 2x22 s ALA 58 CO 0.50 -0.22 1.42 -1.25 0.00 0.00 0.00 175.76 176.21 2x22 s PRO 59 N -0.79 3.59 -0.14 0.00 0.04 -1.26 -4.81 135.00 131.63 2x22 s PRO 59 Ca -0.09 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2x22 s PRO 59 Cb -0.04 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 2x22 s PRO 59 CO 0.03 -0.89 -0.15 -1.17 0.04 0.00 0.00 177.00 174.87 2x22 s LEU 60 N -2.86 2.57 0.01 -3.56 2.96 -1.26 -0.41 118.68 116.12 2x22 s LEU 60 Ca 0.63 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 2x22 s LEU 60 Cb -0.43 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2x22 s LEU 60 CO 0.55 0.13 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.70 2x22 s LEU 61 N 0.57 2.18 0.09 -0.68 1.02 1.00 -4.98 118.68 117.89 2x22 s LEU 61 Ca -0.09 -0.50 -0.30 0.00 0.02 0.00 0.00 54.13 53.26 2x22 s LEU 61 Cb -0.16 -1.34 -0.06 0.00 0.02 0.00 0.00 46.19 44.65 2x22 s LEU 61 CO 0.03 0.29 1.11 -0.70 0.02 0.00 0.00 176.35 177.11 2x22 s GLU 62 N -0.95 4.52 -0.26 1.70 2.12 -1.26 -1.32 118.70 123.26 2x22 s GLU 62 Ca 0.11 1.67 -0.02 0.00 0.36 0.00 0.00 54.97 57.10 2x22 s GLU 62 Cb -0.10 -3.34 0.13 0.00 0.26 0.00 0.00 34.13 31.08 2x22 s GLU 62 CO 0.01 -0.08 0.33 -1.17 -0.54 0.00 0.00 175.26 173.81 2x22 s LEU 63 N 0.50 -0.46 -0.42 2.70 2.96 0.20 -4.86 118.68 119.30 2x22 s LEU 63 Ca 0.54 -0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 54.02 2x22 s LEU 63 Cb -0.28 0.82 0.02 0.00 0.50 0.00 0.00 46.19 47.25 2x22 s LEU 63 CO 0.31 -0.34 0.59 -0.62 -1.32 0.00 0.00 176.35 174.97 2x22 s ASP 64 N 2.46 6.31 0.56 3.68 2.15 -1.26 -4.13 116.67 126.43 2x22 s ASP 64 Ca 0.10 -0.32 0.37 0.00 0.43 0.00 0.00 52.55 53.14 2x22 s ASP 64 Cb -0.15 -2.30 1.92 0.00 -0.30 0.00 0.00 42.92 42.10 2x22 s ASP 64 CO -0.22 -0.69 2.13 -0.37 -0.17 0.00 0.00 175.17 175.85 2x22 h VAL 65 N 5.80 0.00 -0.01 1.11 -1.51 -1.97 0.91 116.25 120.58 2x22 h VAL 65 Ca -0.26 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2x22 h VAL 65 Cb 1.10 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2x22 h VAL 65 CO 0.85 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.19 2x22 n GLN 66 N -2.87 1.30 -3.51 5.19 6.02 -1.26 -4.76 117.38 117.49 2x22 n GLN 66 Ca -0.02 -0.43 -0.42 0.00 -0.01 0.00 0.00 57.00 56.12 2x22 n GLN 66 Cb 0.11 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.00 5.87 0.44 1.08 3.04 0.31 -4.96 114.94 118.72 2x22 s ASN 67 Ca 0.43 -1.43 0.13 0.00 0.04 0.00 0.00 52.86 52.03 2x22 s ASN 67 Cb 0.22 -2.08 0.98 0.00 -1.54 0.00 0.00 41.25 38.83 2x22 s ASN 67 CO 0.35 -0.59 2.01 -0.33 -3.04 0.00 0.00 177.10 175.50 2x22 h GLU 68 N 8.57 0.11 -0.24 0.43 4.39 -1.86 -1.90 114.58 124.08 2x22 h GLU 68 Ca -0.25 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 2x22 h GLU 68 Cb 1.10 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2x22 h GLU 68 CO 0.81 0.22 0.03 0.93 -1.16 0.00 0.00 179.01 179.84 2x22 h GLU 69 N 0.11 0.40 -0.35 2.33 5.08 -1.94 -0.86 114.58 119.34 2x22 h GLU 69 Ca 0.02 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2x22 h GLU 69 Cb 0.24 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 2x22 h GLU 69 CO 0.01 0.54 -0.11 0.45 -1.00 0.00 0.00 179.01 178.90 2x22 h HIS 70 N 0.20 -0.24 -0.68 4.33 3.86 -1.68 -1.81 115.15 119.12 2x22 h HIS 70 Ca 0.07 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2x22 h HIS 70 Cb 0.33 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 2x22 h HIS 70 CO 0.02 -0.18 0.31 -0.07 0.86 0.00 0.00 177.93 178.88 2x22 h LEU 71 N -0.03 0.91 -1.39 2.43 4.07 -1.34 -1.86 115.31 118.10 2x22 h LEU 71 Ca 0.17 -0.14 -0.06 0.00 0.08 0.00 0.00 57.88 57.93 2x22 h LEU 71 Cb 0.29 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2x22 h LEU 71 CO -0.38 0.80 -0.31 0.00 -1.08 0.00 0.00 178.44 177.47 2x22 h ALA 72 N 1.15 1.48 -0.01 1.53 0.00 -0.82 -3.00 119.26 119.59 2x22 h ALA 72 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x22 h ALA 72 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2x22 h ALA 72 CO -0.03 0.38 -0.54 -1.13 0.00 0.00 0.00 179.25 177.94 2x22 n SER 73 N -4.15 1.61 -0.01 0.00 3.41 -0.71 -4.63 113.62 109.13 2x22 n SER 73 Ca -0.02 -1.26 -0.11 0.00 -0.26 0.00 0.00 58.87 57.21 2x22 n SER 73 Cb 0.35 0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 64.75 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 1.68 0.12 -0.89 1.04 5.85 -1.19 -0.31 115.31 121.61 2x22 h LEU 74 Ca 0.00 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2x22 h LEU 74 Cb 0.66 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 2x22 h LEU 74 CO 0.00 0.18 0.59 0.00 -0.34 0.00 0.00 178.44 178.86 2x22 h ALA 75 N 0.95 1.16 -0.21 1.25 0.00 -1.78 0.13 119.26 120.74 2x22 h ALA 75 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2x22 h ALA 75 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2x22 h ALA 75 CO -0.00 0.48 0.07 0.78 0.00 0.00 0.00 179.25 180.58 2x22 h GLY 76 N 1.17 0.35 1.38 0.00 0.00 -1.78 -0.00 103.07 104.18 2x22 h GLY 76 Ca 0.34 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2x22 h GLY 76 CO -0.10 0.19 0.17 3.21 0.00 0.00 0.00 176.54 180.01 2x22 h ARG 77 N 0.18 0.78 -0.34 4.80 3.08 -0.63 -1.15 114.38 121.09 2x22 h ARG 77 Ca 0.07 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2x22 h ARG 77 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2x22 h ARG 77 CO -0.00 0.68 -0.10 0.28 -1.07 0.00 0.00 179.97 179.75 2x22 h VAL 78 N 0.77 1.28 -0.99 2.04 2.07 -0.45 -1.88 116.25 119.09 2x22 h VAL 78 Ca 0.18 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.55 2x22 h VAL 78 Cb 0.22 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 2x22 h VAL 78 CO -0.01 0.38 0.65 0.74 0.02 0.00 0.00 177.57 179.36 2x22 h THR 79 N 0.46 1.21 -0.42 2.57 2.02 -0.79 0.37 112.91 118.33 2x22 h THR 79 Ca 0.08 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2x22 h THR 79 Cb 0.61 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2x22 h THR 79 CO 0.04 0.24 0.14 -0.33 0.37 0.00 0.00 175.52 175.98 2x22 h GLU 80 N 1.30 0.60 0.00 6.66 5.08 -1.09 0.29 114.58 127.43 2x22 h GLU 80 Ca 0.38 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.46 2x22 h GLU 80 Cb -0.08 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2x22 h GLU 80 CO -0.10 0.52 -0.87 0.00 -1.00 0.00 0.00 179.01 177.56 2x22 h ALA 81 N 1.57 0.55 0.00 3.43 0.00 -0.36 -3.34 119.26 121.10 2x22 h ALA 81 Ca 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2x22 h ALA 81 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2x22 h ALA 81 CO -0.01 0.95 -1.38 0.44 0.00 0.00 0.00 179.25 179.25 2x22 n ILE 82 N -3.63 0.00 0.00 0.00 -5.35 -0.01 -5.00 119.36 105.37 2x22 n ILE 82 Ca -0.03 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2x22 n ILE 82 Cb 0.80 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 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 1.46 1.36 3.56 3.28 0.00 0.10 -4.76 105.19 110.19 2x22 n GLY 83 Ca -0.00 -1.39 -0.44 0.00 0.00 0.00 0.00 46.02 44.19 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 2.52 -0.56 0.00 4.61 0.00 -1.20 -1.67 120.51 124.21 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 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 1.35 3.18 3.88 0.00 0.00 -1.26 -5.02 105.19 107.32 2x22 n GLY 85 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.79 6.57 0.23 1.61 0.01 -0.67 -5.11 114.94 116.79 2x22 s ASN 86 Ca 0.00 0.73 0.06 0.00 -0.71 0.00 0.00 52.86 52.94 2x22 s ASN 86 Cb 0.00 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 2x22 s ASN 86 CO 0.00 0.05 -0.07 -0.54 -1.51 0.00 0.00 177.10 175.03 2x22 s LYS 87 N -2.51 1.36 0.30 -0.60 1.02 -1.26 -4.86 119.74 113.19 2x22 s LYS 87 Ca 0.41 -1.65 -0.28 0.00 0.02 0.00 0.00 55.97 54.47 2x22 s LYS 87 Cb -0.12 -0.91 -0.09 0.00 -0.52 0.00 0.00 37.83 36.18 2x22 s LYS 87 CO 0.22 0.04 1.01 -0.51 -0.92 0.00 0.00 175.35 175.20 2x22 s LEU 88 N -3.33 4.46 -0.02 3.17 1.43 0.77 -4.70 118.68 120.46 2x22 s LEU 88 Ca 0.25 2.05 0.22 0.00 -1.03 0.00 0.00 54.13 55.62 2x22 s LEU 88 Cb 0.03 -3.81 -0.31 0.00 0.03 0.00 0.00 46.19 42.13 2x22 s LEU 88 CO 0.08 -0.11 0.56 0.47 0.23 0.00 0.00 176.35 177.58 2x22 n ASP 89 N 0.90 0.24 -3.75 2.29 8.00 0.15 -0.70 116.55 123.68 2x22 n ASP 89 Ca 0.00 -0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.16 2x22 n ASP 89 Cb 0.47 1.78 -0.09 0.00 -0.02 0.00 0.00 41.12 43.27 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 -4.18 -0.17 -0.06 0.44 0.00 -0.78 -1.16 107.32 101.42 2x22 s GLY 90 Ca -0.05 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.08 2x22 s GLY 90 CO 0.89 0.18 -0.08 0.14 0.00 0.00 0.00 173.10 174.24 2x22 s VAL 91 N -1.23 0.80 -0.23 1.40 1.01 0.11 -1.47 120.40 120.79 2x22 s VAL 91 Ca -0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2x22 s VAL 91 Cb -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2x22 s VAL 91 CO 0.04 0.29 -0.04 -0.69 0.00 0.00 0.00 175.10 174.69 2x22 s VAL 92 N 0.89 3.22 -0.42 2.92 1.01 0.20 -0.44 120.40 127.78 2x22 s VAL 92 Ca -0.11 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 2x22 s VAL 92 Cb -0.15 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.73 2x22 s VAL 92 CO 0.01 0.33 0.58 -2.28 0.00 0.00 0.00 175.10 173.74 2x22 s HIS 93 N 1.43 3.10 -0.48 5.22 2.46 0.56 -1.43 115.29 126.16 2x22 s HIS 93 Ca 0.04 -0.10 0.08 0.00 0.47 0.00 0.00 55.06 55.55 2x22 s HIS 93 Cb -0.15 -3.19 0.32 0.00 -0.13 0.00 0.00 32.58 29.43 2x22 s HIS 93 CO -0.04 -0.79 0.78 0.45 -2.47 0.00 0.00 174.74 172.68 2x22 n SER 94 N 6.04 2.35 -4.00 9.88 2.88 -1.24 -2.41 113.62 127.13 2x22 n SER 94 Ca -0.03 -3.26 -0.19 0.00 -1.33 0.00 0.00 58.87 54.06 2x22 n SER 94 Cb 0.48 -0.61 -0.15 0.00 -0.75 0.00 0.00 64.21 63.18 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 -3.00 0.67 0.04 2.46 1.01 -1.26 -4.22 121.20 116.90 2x22 s ILE 95 Ca 0.43 -0.33 -0.27 0.00 0.00 0.00 0.00 60.65 60.47 2x22 s ILE 95 Cb 0.28 -0.58 0.09 0.00 0.01 0.00 0.00 42.46 42.26 2x22 s ILE 95 CO -0.10 0.20 0.80 -0.83 0.00 0.00 0.00 174.94 175.02 2x22 s GLY 96 N -0.01 -0.51 -0.08 6.18 0.00 -1.26 -4.67 107.32 106.97 2x22 s GLY 96 Ca 0.00 0.91 -0.31 0.00 0.00 0.00 0.00 44.72 45.32 2x22 s GLY 96 CO -0.00 0.32 0.75 -0.12 0.00 0.00 0.00 173.10 174.05 2x22 s PHE 97 N -3.19 -0.61 -0.17 1.90 5.36 -1.26 -4.95 117.98 115.07 2x22 s PHE 97 Ca 0.03 1.06 -0.09 0.00 -0.96 0.00 0.00 56.93 56.98 2x22 s PHE 97 Cb -0.01 0.41 0.07 0.00 -0.34 0.00 0.00 43.02 43.15 2x22 s PHE 97 CO -0.09 -0.55 0.41 1.41 -1.46 0.00 0.00 175.22 174.94 2x22 s MET 98 N -1.11 0.37 0.72 10.12 -2.45 -1.26 -4.29 119.30 121.40 2x22 s MET 98 Ca -0.09 0.83 -0.16 0.00 -1.25 0.00 0.00 55.69 55.03 2x22 s MET 98 Cb -0.00 0.05 0.02 0.00 1.25 0.00 0.00 34.83 36.14 2x22 s MET 98 CO 0.08 -0.18 1.12 -2.30 1.05 0.00 0.00 175.02 174.78 2x22 n PRO 99 N 4.52 0.58 -0.25 4.11 -0.02 -1.26 -4.88 135.00 137.82 2x22 n PRO 99 Ca -0.20 0.26 0.24 0.00 -2.02 0.00 0.00 63.50 61.78 2x22 n PRO 99 Cb 0.54 -2.36 0.60 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.21 0.24 -0.04 -0.52 1.08 -1.93 0.78 115.11 114.49 2x22 h GLN 100 Ca -0.48 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 56.72 2x22 h GLN 100 Cb 1.33 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2x22 h GLN 100 CO 0.48 0.16 0.04 1.79 -0.95 0.00 0.00 178.83 180.35 2x22 h THR 101 N 0.24 0.61 -0.39 -0.54 1.35 -1.97 -2.25 112.91 109.97 2x22 h THR 101 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 2x22 h THR 101 Cb 1.50 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2x22 h THR 101 CO -0.14 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.74 2x22 n GLY 102 N -1.39 0.84 3.08 5.82 0.00 0.27 -4.20 105.19 109.60 2x22 n GLY 102 Ca -0.02 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.48 0.56 5.89 1.61 1.00 -0.85 -1.48 119.30 124.55 2x22 s MET 103 Ca 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 55.69 54.95 2x22 s MET 103 Cb 0.14 0.20 0.00 0.00 0.00 0.00 0.00 34.83 35.17 2x22 s MET 103 CO 0.18 -0.11 0.00 0.41 0.00 0.00 0.00 175.02 175.50 2x22 n GLY 104 N 0.52 1.41 0.30 -0.03 0.00 0.89 -2.94 105.19 105.34 2x22 n GLY 104 Ca -0.17 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.03 -0.61 -5.35 -0.10 -4.00 119.36 107.27 2x22 n ILE 105 Ca 0.00 -0.15 -0.42 0.00 -0.27 0.00 0.00 62.75 61.90 2x22 n ILE 105 Cb 0.00 0.33 -0.03 0.00 -1.74 0.00 0.00 39.64 38.20 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 -2.31 6.69 0.23 7.28 0.01 -1.15 -4.89 114.94 120.80 2x22 s ASN 106 Ca 0.30 2.41 -0.32 0.00 -0.71 0.00 0.00 52.86 54.55 2x22 s ASN 106 Cb 0.20 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 39.16 2x22 s ASN 106 CO 0.45 -0.80 1.54 -2.65 -1.51 0.00 0.00 177.10 174.13 2x22 n PRO 107 N 4.98 2.36 -0.24 -0.60 -0.02 -1.26 -4.68 135.00 135.53 2x22 n PRO 107 Ca 0.14 0.84 0.04 0.00 -2.02 0.00 0.00 63.50 62.50 2x22 n PRO 107 Cb 0.41 -2.59 0.14 0.00 -0.02 0.00 0.00 33.50 31.44 2x22 n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2x22 h PHE 108 N 5.11 -0.02 0.00 6.00 3.57 -1.90 -0.85 116.94 128.84 2x22 h PHE 108 Ca -0.45 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2x22 h PHE 108 Cb 1.25 0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.11 2x22 h PHE 108 CO 0.59 -0.20 0.00 0.74 -2.23 0.00 0.00 178.31 177.21 2x22 h PHE 109 N 0.12 0.00 -0.01 0.41 0.04 -1.95 -3.07 116.94 112.48 2x22 h PHE 109 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 2x22 h PHE 109 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 2x22 h PHE 109 CO -0.39 0.00 -0.16 -0.25 -0.60 0.00 0.00 178.31 176.91 2x22 n ASP 110 N -2.47 1.52 -4.66 2.17 8.00 -0.33 -4.85 116.55 115.93 2x22 n ASP 110 Ca 0.02 -1.30 -0.43 0.00 0.71 0.00 0.00 54.79 53.79 2x22 n ASP 110 Cb 0.24 0.11 -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 -2.26 3.64 0.47 2.24 0.00 -1.16 -5.01 121.76 119.68 2x22 s ALA 111 Ca 0.29 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.64 2x22 s ALA 111 Cb 0.20 -3.67 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2x22 s ALA 111 CO 0.43 -1.26 1.19 -1.25 0.00 0.00 0.00 175.76 174.88 2x22 s PRO 112 N 3.69 3.69 0.48 0.00 0.04 -1.26 -4.89 135.00 136.76 2x22 s PRO 112 Ca 0.61 1.84 0.13 0.00 0.04 0.00 0.00 61.00 63.62 2x22 s PRO 112 Cb -0.25 -2.40 1.11 0.00 0.04 0.00 0.00 34.50 33.00 2x22 s PRO 112 CO 0.20 -0.63 2.11 -0.92 0.04 0.00 0.00 177.00 177.80 2x22 h TYR 113 N 2.01 0.18 -0.90 0.56 3.20 -1.98 -0.62 116.97 119.41 2x22 h TYR 113 Ca -0.50 0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.50 2x22 h TYR 113 Cb 1.25 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 2x22 h TYR 113 CO 0.52 0.12 0.58 0.00 -1.64 0.00 0.00 178.16 177.74 2x22 h ALA 114 N 1.90 1.72 -0.02 1.82 0.00 -1.99 0.28 119.26 122.97 2x22 h ALA 114 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2x22 h ALA 114 Cb -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2x22 h ALA 114 CO -0.01 0.07 -0.26 -0.44 0.00 0.00 0.00 179.25 178.61 2x22 h ASP 115 N 0.80 0.26 -0.64 0.00 3.45 -1.50 -2.89 116.42 115.91 2x22 h ASP 115 Ca 0.44 -0.73 0.03 0.00 0.43 0.00 0.00 57.03 57.19 2x22 h ASP 115 Cb 0.56 -0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 39.21 2x22 h ASP 115 CO -0.20 0.95 0.39 0.58 -1.57 0.00 0.00 179.24 179.40 2x22 h VAL 116 N -0.41 1.08 -0.91 -1.35 2.07 -0.98 -1.92 116.25 113.84 2x22 h VAL 116 Ca -0.03 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2x22 h VAL 116 Cb 0.98 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2x22 h VAL 116 CO 0.05 0.14 0.51 -1.28 0.02 0.00 0.00 177.57 177.01 2x22 h SER 117 N 0.78 1.13 -0.44 0.57 0.87 -0.54 0.88 113.55 116.79 2x22 h SER 117 Ca 0.25 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2x22 h SER 117 Cb 0.01 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 2x22 h SER 117 CO -0.10 0.89 0.11 0.50 -0.53 0.00 0.00 176.83 177.70 2x22 h LYS 118 N 1.27 0.70 -0.78 2.24 3.64 -1.22 0.96 116.57 123.38 2x22 h LYS 118 Ca 0.32 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2x22 h LYS 118 Cb 0.01 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2x22 h LYS 118 CO -0.05 0.70 0.35 0.78 -2.27 0.00 0.00 179.45 178.95 2x22 h GLY 119 N 0.57 1.21 1.12 5.01 0.00 -0.53 -1.93 103.07 108.51 2x22 h GLY 119 Ca 0.14 -0.62 -0.20 0.00 0.00 0.00 0.00 47.33 46.65 2x22 h GLY 119 CO 0.00 0.58 -0.69 -2.22 0.00 0.00 0.00 176.54 174.21 2x22 h ILE 120 N 1.11 1.29 -0.01 2.60 2.04 -0.62 -0.56 117.51 123.37 2x22 h ILE 120 Ca 0.26 -1.91 0.03 0.00 1.00 0.00 0.00 64.86 64.25 2x22 h ILE 120 Cb 0.15 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 2x22 h ILE 120 CO -0.03 0.60 -0.42 -0.74 0.00 0.00 0.00 178.15 177.56 2x22 h HIS 121 N 0.48 -1.20 -0.35 1.37 2.76 -0.56 0.13 115.15 117.79 2x22 h HIS 121 Ca -0.04 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.01 2x22 h HIS 121 Cb 1.32 0.53 -0.00 0.00 1.55 0.00 0.00 27.41 30.81 2x22 h HIS 121 CO 0.09 -0.50 -0.39 0.82 -1.30 0.00 0.00 177.93 176.65 2x22 h ILE 122 N -0.57 1.28 0.00 6.26 2.04 -1.35 -0.86 117.51 124.31 2x22 h ILE 122 Ca 0.05 -1.56 -0.13 0.00 1.00 0.00 0.00 64.86 64.21 2x22 h ILE 122 Cb 0.65 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2x22 h ILE 122 CO -0.32 0.52 -1.31 0.28 0.00 0.00 0.00 178.15 177.32 2x22 h SER 123 N 0.67 0.00 0.00 1.72 0.02 -1.00 -3.39 113.55 111.57 2x22 h SER 123 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2x22 h SER 123 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2x22 h SER 123 CO 0.09 0.45 -0.44 0.00 -1.14 0.00 0.00 176.83 175.79 2x22 n ALA 124 N -2.34 3.00 0.14 3.77 0.00 0.34 -4.81 120.51 120.61 2x22 n ALA 124 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.40 2x22 n ALA 124 Cb 0.77 0.33 0.43 0.00 0.00 0.00 0.00 19.45 20.98 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 0.21 0.00 0.00 5.03 -1.05 -2.16 116.97 119.00 2x22 h TYR 125 Ca 0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2x22 h TYR 125 Cb 0.44 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.66 2x22 h TYR 125 CO 0.00 0.31 0.00 0.66 -1.32 0.00 0.00 178.16 177.81 2x22 h SER 126 N 0.20 0.00 -0.35 -2.11 4.64 -1.34 -2.24 113.55 112.34 2x22 h SER 126 Ca 0.04 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 2x22 h SER 126 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2x22 h SER 126 CO 0.02 0.00 -0.35 0.22 -0.87 0.00 0.00 176.83 175.85 2x22 h TYR 127 N 0.00 1.02 -0.44 4.77 3.20 -1.68 -0.84 116.97 123.01 2x22 h TYR 127 Ca 0.00 -0.31 -0.04 0.00 3.14 0.00 0.00 58.73 61.53 2x22 h TYR 127 Cb 0.37 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2x22 h TYR 127 CO 0.00 1.11 0.13 0.00 -1.64 0.00 0.00 178.16 177.76 2x22 h ALA 128 N 0.75 0.57 -0.16 1.82 0.00 -1.55 -2.54 119.26 118.15 2x22 h ALA 128 Ca 0.06 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2x22 h ALA 128 Cb 0.93 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2x22 h ALA 128 CO 0.09 0.23 -0.48 0.66 0.00 0.00 0.00 179.25 179.75 2x22 h SER 129 N 0.57 0.45 -0.50 0.00 4.64 -1.23 0.12 113.55 117.59 2x22 h SER 129 Ca 0.14 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 2x22 h SER 129 Cb 0.28 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2x22 h SER 129 CO -0.00 0.86 0.12 -0.03 -0.87 0.00 0.00 176.83 176.90 2x22 h MET 130 N 0.33 0.81 -0.62 4.77 -1.53 -1.23 -1.89 114.93 115.57 2x22 h MET 130 Ca 0.02 -0.20 -0.09 0.00 -3.44 0.00 0.00 59.70 55.99 2x22 h MET 130 Cb 0.97 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.89 2x22 h MET 130 CO 0.08 0.78 0.04 0.00 0.14 0.00 0.00 176.91 177.95 2x22 h ALA 131 N 0.99 0.89 -0.47 0.39 0.00 -1.10 -1.30 119.26 118.65 2x22 h ALA 131 Ca 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2x22 h ALA 131 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2x22 h ALA 131 CO 0.00 0.66 0.29 -0.22 0.00 0.00 0.00 179.25 179.99 2x22 h LYS 132 N 0.98 0.64 -0.08 0.00 3.64 -0.59 -1.31 116.57 119.86 2x22 h LYS 132 Ca 0.18 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2x22 h LYS 132 Cb 0.51 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2x22 h LYS 132 CO 0.02 0.47 -0.47 0.00 -2.27 0.00 0.00 179.45 177.20 2x22 h ALA 133 N 1.14 1.06 0.00 5.00 0.00 -1.09 -3.37 119.26 121.99 2x22 h ALA 133 Ca 0.17 -0.45 -0.32 0.00 0.00 0.00 0.00 54.91 54.31 2x22 h ALA 133 Cb -0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2x22 h ALA 133 CO -0.03 0.63 -2.22 1.28 0.00 0.00 0.00 179.25 178.90 2x22 n LEU 134 N -3.98 0.00 -0.31 0.00 4.77 -0.51 -4.40 117.00 112.57 2x22 n LEU 134 Ca -0.02 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 2x22 n LEU 134 Cb 0.52 0.43 0.31 0.00 -2.33 0.00 0.00 43.42 42.35 2x22 n LEU 134 CO 0.42 0.43 1.06 -0.07 -1.33 0.00 0.00 177.39 177.91 2x22 h LEU 135 N 0.00 0.39 -1.25 2.23 3.38 -1.40 0.71 115.31 119.36 2x22 h LEU 135 Ca -0.47 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2x22 h LEU 135 Cb 2.07 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.93 2x22 h LEU 135 CO 0.03 0.03 0.00 -2.65 0.09 0.00 0.00 178.44 175.93 2x22 n PRO 136 N -5.01 0.14 -0.59 1.13 -0.02 -1.26 -1.67 135.00 127.71 2x22 n PRO 136 Ca 0.22 0.60 0.05 0.00 -2.02 0.00 0.00 63.50 62.35 2x22 n PRO 136 Cb 0.65 -1.92 0.20 0.00 -0.02 0.00 0.00 33.50 32.42 2x22 n PRO 136 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2x22 n ILE 137 N -2.21 2.24 -4.20 4.25 -5.35 0.22 -5.03 119.36 109.27 2x22 n ILE 137 Ca -0.01 -3.09 -0.34 0.00 -0.27 0.00 0.00 62.75 59.04 2x22 n ILE 137 Cb 0.06 -0.25 -0.08 0.00 -1.74 0.00 0.00 39.64 37.63 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 -3.21 3.02 0.43 6.28 -1.94 -0.67 -0.16 119.30 123.05 2x22 s MET 138 Ca 0.39 -0.44 -0.22 0.00 -1.71 0.00 0.00 55.69 53.70 2x22 s MET 138 Cb 0.37 -2.84 -0.09 0.00 2.01 0.00 0.00 34.83 34.28 2x22 s MET 138 CO -0.05 0.68 1.02 -0.80 -0.01 0.00 0.00 175.02 175.85 2x22 s ASN 139 N -1.34 6.69 0.58 3.03 0.02 0.12 -4.88 114.94 119.16 2x22 s ASN 139 Ca 0.18 1.92 -0.20 0.00 -1.02 0.00 0.00 52.86 53.74 2x22 s ASN 139 Cb -0.12 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.55 2x22 s ASN 139 CO 0.08 -0.54 1.25 -0.81 0.02 0.00 0.00 177.10 177.10 2x22 n PRO 140 N -0.44 1.34 -0.02 -0.60 -0.04 -1.25 -1.67 135.00 132.32 2x22 n PRO 140 Ca 0.07 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 2x22 n PRO 140 Cb 0.51 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 2x22 n PRO 140 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x22 n GLY 141 N 0.93 1.67 3.62 0.55 0.00 0.15 -4.98 105.19 107.14 2x22 n GLY 141 Ca 0.13 0.00 -0.30 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 -1.99 1.59 -0.17 -0.02 0.00 -0.67 -4.81 107.32 101.25 2x22 s GLY 142 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 43.79 2x22 s GLY 142 CO 0.00 -0.03 0.39 -0.45 0.00 0.00 0.00 173.10 173.01 2x22 s SER 143 N -3.86 -0.30 -0.15 1.64 0.15 -0.31 -0.95 113.70 109.93 2x22 s SER 143 Ca 0.70 0.88 -0.03 0.00 0.70 0.00 0.00 55.95 58.20 2x22 s SER 143 Cb -0.11 0.98 -0.02 0.00 -1.71 0.00 0.00 66.02 65.16 2x22 s SER 143 CO 0.56 -0.21 -0.06 -0.63 1.20 0.00 0.00 173.24 174.10 2x22 s ILE 144 N 2.00 3.70 -0.06 6.45 1.01 0.77 -0.72 121.20 134.36 2x22 s ILE 144 Ca -0.05 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2x22 s ILE 144 Cb -0.10 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.76 2x22 s ILE 144 CO -0.12 0.50 -0.12 -0.69 0.00 0.00 0.00 174.94 174.50 2x22 s VAL 145 N 0.39 1.12 0.35 2.92 1.01 0.42 -0.49 120.40 126.13 2x22 s VAL 145 Ca -0.05 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.52 2x22 s VAL 145 Cb -0.15 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2x22 s VAL 145 CO 0.03 0.35 0.06 -0.83 0.00 0.00 0.00 175.10 174.71 2x22 s GLY 146 N 0.53 2.10 -0.14 4.51 0.00 -0.20 -0.32 107.32 113.80 2x22 s GLY 146 Ca -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 44.72 42.59 2x22 s GLY 146 CO 0.03 -1.88 0.01 1.06 0.00 0.00 0.00 173.10 172.32 2x22 s MET 147 N -3.77 3.53 0.22 2.90 -1.94 -1.01 -0.71 119.30 118.53 2x22 s MET 147 Ca 0.36 -0.41 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 2x22 s MET 147 Cb 0.00 -2.98 -0.05 0.00 2.01 0.00 0.00 34.83 33.81 2x22 s MET 147 CO 0.20 0.43 -0.10 0.34 -0.01 0.00 0.00 175.02 175.88 2x22 s ASP 148 N -0.12 2.50 -0.08 3.03 2.15 0.15 -4.90 116.67 119.41 2x22 s ASP 148 Ca 0.05 -1.09 -0.01 0.00 0.43 0.00 0.00 52.55 51.93 2x22 s ASP 148 Cb -0.12 -0.12 0.03 0.00 -0.30 0.00 0.00 42.92 42.40 2x22 s ASP 148 CO 0.02 -0.26 -0.02 0.12 -0.17 0.00 0.00 175.17 174.86 2x22 s PHE 149 N -3.05 0.85 -0.52 -5.34 2.19 -1.26 -1.83 117.98 109.02 2x22 s PHE 149 Ca 0.25 -0.29 -0.35 0.00 0.33 0.00 0.00 56.93 56.86 2x22 s PHE 149 Cb 0.01 -0.89 -0.15 0.00 -1.31 0.00 0.00 43.02 40.69 2x22 s PHE 149 CO 0.08 -0.36 2.30 -3.47 1.83 0.00 0.00 175.22 175.60 2x22 n ASP 150 N 5.04 1.50 -1.63 6.13 2.03 -1.26 -4.83 116.55 123.52 2x22 n ASP 150 Ca -0.09 0.33 0.10 0.00 0.52 0.00 0.00 54.79 55.64 2x22 n ASP 150 Cb 0.50 -1.15 0.37 0.00 -0.72 0.00 0.00 41.12 40.11 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 8.19 3.80 0.28 -0.67 -0.04 -1.26 -4.62 135.00 140.68 2x22 n PRO 151 Ca 0.48 -2.92 0.14 0.00 -0.04 0.00 0.00 63.50 61.17 2x22 n PRO 151 Cb 0.17 -1.92 0.79 0.00 -0.04 0.00 0.00 33.50 32.50 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 4.19 0.00 -4.33 3.54 4.64 -1.94 -3.42 113.55 116.23 2x22 h SER 152 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 2x22 h SER 152 Cb 1.48 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.35 2x22 h SER 152 CO 0.24 0.09 -0.80 -0.13 -0.87 0.00 0.00 176.83 175.35 2x22 s ARG 153 N -4.17 0.99 0.73 4.77 0.52 -1.26 -5.15 118.95 115.37 2x22 s ARG 153 Ca -0.03 -1.01 -0.11 0.00 -0.52 0.00 0.00 55.73 54.06 2x22 s ARG 153 Cb 0.13 -1.10 0.03 0.00 0.52 0.00 0.00 34.95 34.52 2x22 s ARG 153 CO 0.56 0.26 1.07 0.00 0.02 0.00 0.00 175.30 177.21 2x22 s ALA 154 N -1.15 2.55 0.18 2.13 0.00 -1.26 -5.08 121.76 119.13 2x22 s ALA 154 Ca 0.02 0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 2x22 s ALA 154 Cb -0.10 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 19.91 2x22 s ALA 154 CO 0.03 -1.38 0.67 0.00 0.00 0.00 0.00 175.76 175.08 2x22 s MET 155 N -5.06 1.38 0.74 0.00 0.23 -1.26 -5.15 119.30 110.19 2x22 s MET 155 Ca 0.59 -0.61 -0.14 0.00 -1.03 0.00 0.00 55.69 54.50 2x22 s MET 155 Cb -0.14 0.57 0.04 0.00 -1.53 0.00 0.00 34.83 33.77 2x22 s MET 155 CO 0.55 -0.62 1.17 -2.14 -2.03 0.00 0.00 175.02 171.96 2x22 s PRO 156 N -3.73 2.17 0.00 3.16 0.02 -1.26 -4.10 135.00 131.26 2x22 s PRO 156 Ca 0.05 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.69 2x22 s PRO 156 Cb -0.02 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.64 2x22 s PRO 156 CO -0.06 -1.78 0.00 0.00 -0.33 0.00 0.00 177.00 174.82 2x22 n ALA 157 N -2.85 0.00 0.14 -1.55 0.00 -1.26 -4.56 120.51 110.43 2x22 n ALA 157 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 2x22 n ALA 157 Cb 0.51 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.19 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 0.09 0.00 0.00 3.20 -1.88 0.25 116.97 118.63 2x22 h TYR 158 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2x22 h TYR 158 Cb 0.00 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2x22 h TYR 158 CO 0.00 0.56 0.00 0.09 -1.64 0.00 0.00 178.16 177.17 2x22 n ASN 159 N -3.94 0.00 0.20 -2.11 4.13 -1.26 -1.26 115.26 111.02 2x22 n ASN 159 Ca -0.02 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.39 2x22 n ASN 159 Cb 0.53 0.00 0.49 0.00 -1.54 0.00 0.00 39.78 39.25 2x22 n ASN 159 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 2x22 h TRP 160 N 0.00 0.00 -0.11 3.10 4.06 -1.57 -1.94 115.95 119.48 2x22 h TRP 160 Ca 0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 2x22 h TRP 160 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2x22 h TRP 160 CO 0.00 0.00 -0.18 1.98 -3.56 0.00 0.00 178.44 176.68 2x22 h MET 161 N 0.00 0.19 -0.61 0.49 4.05 -1.32 -1.80 114.93 115.92 2x22 h MET 161 Ca 0.00 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 2x22 h MET 161 Cb 0.61 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.35 2x22 h MET 161 CO 0.00 0.37 0.37 1.15 0.23 0.00 0.00 176.91 179.03 2x22 h THR 162 N 0.17 1.07 -0.64 -0.77 2.02 -1.26 -0.45 112.91 113.06 2x22 h THR 162 Ca 0.03 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2x22 h THR 162 Cb 0.43 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2x22 h THR 162 CO 0.03 0.13 0.25 0.58 0.37 0.00 0.00 175.52 176.88 2x22 h VAL 163 N 0.73 1.24 -0.80 3.16 2.07 -1.44 -1.19 116.25 120.02 2x22 h VAL 163 Ca 0.25 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2x22 h VAL 163 Cb 0.03 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2x22 h VAL 163 CO -0.11 0.29 0.42 0.00 0.02 0.00 0.00 177.57 178.19 2x22 h ALA 164 N 1.10 1.22 -0.19 1.67 0.00 -0.86 -0.42 119.26 121.78 2x22 h ALA 164 Ca 0.21 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 2x22 h ALA 164 Cb 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2x22 h ALA 164 CO -0.02 0.61 -0.54 0.87 0.00 0.00 0.00 179.25 180.18 2x22 h LYS 165 N 1.13 0.55 -0.69 0.00 1.79 -0.79 0.22 116.57 118.77 2x22 h LYS 165 Ca 0.28 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2x22 h LYS 165 Cb 0.06 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2x22 h LYS 165 CO -0.04 0.95 0.45 0.77 -1.08 0.00 0.00 179.45 180.50 2x22 h SER 166 N 0.43 0.81 -0.64 0.86 0.02 -0.76 -0.22 113.55 114.04 2x22 h SER 166 Ca 0.01 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2x22 h SER 166 Cb 1.08 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2x22 h SER 166 CO 0.10 0.59 0.19 0.00 -1.14 0.00 0.00 176.83 176.58 2x22 h ALA 167 N 1.25 0.84 -0.69 3.77 0.00 -0.83 -2.90 119.26 120.70 2x22 h ALA 167 Ca 0.25 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2x22 h ALA 167 Cb -0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 2x22 h ALA 167 CO -0.05 0.51 0.44 1.25 0.00 0.00 0.00 179.25 181.40 2x22 h LEU 168 N 0.92 0.72 -0.82 0.00 6.46 0.19 -0.53 115.31 122.26 2x22 h LEU 168 Ca 0.20 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2x22 h LEU 168 Cb 0.30 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 2x22 h LEU 168 CO -0.01 0.51 0.54 -0.33 -0.62 0.00 0.00 178.44 178.53 2x22 h GLU 169 N 0.86 1.07 -0.30 1.25 5.08 -0.94 0.48 114.58 122.07 2x22 h GLU 169 Ca 0.27 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2x22 h GLU 169 Cb -0.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2x22 h GLU 169 CO -0.10 0.71 0.03 1.03 -1.00 0.00 0.00 179.01 179.67 2x22 h SER 170 N 1.10 0.50 -0.43 1.42 0.87 -1.24 -2.92 113.55 112.86 2x22 h SER 170 Ca 0.30 -0.28 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2x22 h SER 170 Cb -0.11 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.66 2x22 h SER 170 CO -0.07 0.66 0.11 0.58 -0.53 0.00 0.00 176.83 177.58 2x22 h VAL 171 N 0.33 0.81 -0.83 2.23 2.07 -0.62 -2.19 116.25 118.04 2x22 h VAL 171 Ca 0.09 -0.09 0.15 0.00 0.82 0.00 0.00 66.70 67.68 2x22 h VAL 171 Cb 0.39 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 2x22 h VAL 171 CO 0.01 0.05 0.40 -1.13 0.02 0.00 0.00 177.57 176.92 2x22 h ASN 172 N 0.26 0.45 0.50 0.57 -1.24 -0.81 0.25 115.58 115.56 2x22 h ASN 172 Ca 0.20 0.10 -0.10 0.00 0.71 0.00 0.00 56.30 57.22 2x22 h ASN 172 Cb 0.23 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2x22 h ASN 172 CO -0.24 0.17 -0.46 0.03 -1.29 0.00 0.00 177.43 175.64 2x22 h ARG 173 N 0.56 0.00 0.07 6.67 3.08 -1.21 -0.19 114.38 123.36 2x22 h ARG 173 Ca 0.46 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.27 2x22 h ARG 173 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2x22 h ARG 173 CO -0.39 0.46 -1.12 0.74 -1.07 0.00 0.00 179.97 178.59 2x22 h PHE 174 N 0.00 0.35 -0.62 3.04 -1.00 -0.91 -3.08 116.94 114.71 2x22 h PHE 174 Ca -0.00 -0.24 -0.07 0.00 2.81 0.00 0.00 57.97 60.46 2x22 h PHE 174 Cb 0.83 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.34 2x22 h PHE 174 CO 0.00 1.16 0.11 0.28 -1.61 0.00 0.00 178.31 178.26 2x22 h VAL 175 N 0.07 1.25 -1.00 -0.55 2.07 -0.13 -2.46 116.25 115.51 2x22 h VAL 175 Ca -0.09 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.54 2x22 h VAL 175 Cb 1.84 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 2x22 h VAL 175 CO 0.17 0.36 0.64 0.00 0.02 0.00 0.00 177.57 178.77 2x22 h ALA 176 N 1.17 1.44 -0.32 1.67 0.00 -1.05 0.37 119.26 122.53 2x22 h ALA 176 Ca 0.19 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2x22 h ALA 176 Cb 0.39 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2x22 h ALA 176 CO 0.01 0.39 0.07 0.00 0.00 0.00 0.00 179.25 179.72 2x22 h ARG 177 N 1.13 0.18 -0.09 0.00 3.08 -1.35 -0.73 114.38 116.60 2x22 h ARG 177 Ca 0.44 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.40 2x22 h ARG 177 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2x22 h ARG 177 CO -0.19 0.12 -0.28 0.93 -1.07 0.00 0.00 179.97 179.49 2x22 h GLU 178 N 0.19 0.34 -0.71 0.04 4.39 -1.14 -3.22 114.58 114.47 2x22 h GLU 178 Ca 0.15 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.64 2x22 h GLU 178 Cb 0.15 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2x22 h GLU 178 CO -0.18 0.87 0.47 0.00 -1.16 0.00 0.00 179.01 179.01 2x22 h ALA 179 N 0.46 1.64 -0.82 3.43 0.00 -0.25 -2.28 119.26 121.44 2x22 h ALA 179 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2x22 h ALA 179 Cb 0.90 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2x22 h ALA 179 CO 0.06 0.27 0.54 0.78 0.00 0.00 0.00 179.25 180.90 2x22 h GLY 180 N 0.81 0.97 2.00 0.00 0.00 -1.07 0.02 103.07 105.80 2x22 h GLY 180 Ca 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2x22 h GLY 180 CO -0.09 0.09 -0.07 0.50 0.00 0.00 0.00 176.54 176.97 2x22 h LYS 181 N 0.59 0.00 -0.02 4.80 1.57 -1.51 -0.85 116.57 121.14 2x22 h LYS 181 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2x22 h LYS 181 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2x22 h LYS 181 CO -0.16 0.07 -0.01 0.66 -0.57 0.00 0.00 179.45 179.44 2x22 n TYR 182 N -4.10 0.00 -1.68 -1.35 4.02 -0.13 -4.92 117.16 109.00 2x22 n TYR 182 Ca -0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.81 2x22 n TYR 182 Cb 0.16 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.46 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 0.45 3.54 2.72 0.00 -0.33 -3.74 105.19 109.05 2x22 n GLY 183 Ca 0.18 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.26 3.49 0.31 1.61 1.01 -0.47 0.32 120.40 124.40 2x22 s VAL 184 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 2x22 s VAL 184 Cb 0.00 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 2x22 s VAL 184 CO 0.00 0.59 0.65 -0.13 0.00 0.00 0.00 175.10 176.21 2x22 s ARG 185 N -0.68 3.82 -0.07 2.72 3.00 -0.12 -3.14 118.95 124.49 2x22 s ARG 185 Ca 0.10 0.38 -0.01 0.00 0.00 0.00 0.00 55.73 56.21 2x22 s ARG 185 Cb -0.11 -2.53 0.03 0.00 0.00 0.00 0.00 34.95 32.34 2x22 s ARG 185 CO 0.01 0.17 -0.01 0.45 0.00 0.00 0.00 175.30 175.92 2x22 s SER 186 N -2.67 1.42 0.08 0.23 0.15 -1.26 -0.16 113.70 111.50 2x22 s SER 186 Ca 0.50 -0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.99 2x22 s SER 186 Cb -0.11 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.74 2x22 s SER 186 CO 0.24 -0.16 0.12 0.20 1.20 0.00 0.00 173.24 174.84 2x22 s ASN 187 N 1.69 0.24 0.10 5.45 0.01 0.36 0.07 114.94 122.87 2x22 s ASN 187 Ca 0.01 -0.82 0.06 0.00 -0.71 0.00 0.00 52.86 51.40 2x22 s ASN 187 Cb -0.13 0.30 -0.04 0.00 0.41 0.00 0.00 41.25 41.79 2x22 s ASN 187 CO -0.04 -0.70 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.03 2x22 s LEU 188 N -2.90 3.22 -0.25 0.60 1.02 0.36 -1.03 118.68 119.70 2x22 s LEU 188 Ca 0.08 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.90 2x22 s LEU 188 Cb 0.06 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.30 2x22 s LEU 188 CO -0.09 0.18 -0.04 -0.69 0.02 0.00 0.00 176.35 175.73 2x22 s VAL 189 N -1.26 3.12 -0.54 -1.59 1.01 0.12 -0.92 120.40 120.33 2x22 s VAL 189 Ca 0.23 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 2x22 s VAL 189 Cb -0.11 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.76 2x22 s VAL 189 CO 0.16 0.22 0.80 0.00 0.00 0.00 0.00 175.10 176.28 2x22 s ALA 190 N 1.38 3.26 0.26 5.51 0.00 0.98 -0.67 121.76 132.46 2x22 s ALA 190 Ca 0.02 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 2x22 s ALA 190 Cb -0.16 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 2x22 s ALA 190 CO -0.03 -2.26 0.55 0.00 0.00 0.00 0.00 175.76 174.02 2x22 s ALA 191 N 3.37 3.59 1.18 0.00 0.00 -0.76 -0.99 121.76 128.15 2x22 s ALA 191 Ca 0.23 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 2x22 s ALA 191 Cb -0.16 -2.38 0.28 0.00 0.00 0.00 0.00 23.12 20.85 2x22 s ALA 191 CO 0.15 0.39 1.09 0.20 0.00 0.00 0.00 175.76 177.59 2x22 s GLY 192 N -2.70 1.56 0.18 0.00 0.00 -0.75 -4.70 107.32 100.90 2x22 s GLY 192 Ca 0.46 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 44.08 2x22 s GLY 192 CO 0.25 0.04 1.27 2.56 0.00 0.00 0.00 173.10 177.22 2x22 s PRO 193 N -5.26 4.42 -0.03 2.90 0.04 -1.26 -5.02 135.00 130.79 2x22 s PRO 193 Ca 0.70 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.74 2x22 s PRO 193 Cb -0.12 -3.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.19 2x22 s PRO 193 CO 0.57 -0.21 -0.13 0.42 0.04 0.00 0.00 177.00 177.68 2x22 s ILE 194 N 0.20 1.12 -1.17 0.56 -1.09 -1.26 -4.27 121.20 115.29 2x22 s ILE 194 Ca 0.56 -0.56 -0.23 0.00 -2.23 0.00 0.00 60.65 58.19 2x22 s ILE 194 Cb -0.35 -0.97 -0.11 0.00 -1.58 0.00 0.00 42.46 39.45 2x22 s ILE 194 CO 0.36 0.33 1.97 -0.13 -1.23 0.00 0.00 174.94 176.24 2x22 s ARG 195 N 0.05 2.27 0.49 2.79 0.52 -0.34 -4.68 118.95 120.05 2x22 s ARG 195 Ca -0.02 -1.04 0.06 0.00 -0.52 0.00 0.00 55.73 54.21 2x22 s ARG 195 Cb -0.09 -5.20 0.01 0.00 0.52 0.00 0.00 34.95 30.19 2x22 s ARG 195 CO 0.01 -4.25 0.38 0.95 0.02 0.00 0.00 175.30 172.41 2x22 s THR 196 N 12.06 2.04 0.23 0.02 -4.23 -1.26 -4.90 115.64 119.59 2x22 s THR 196 Ca 0.71 -1.46 -0.07 0.00 -1.18 0.00 0.00 61.69 59.69 2x22 s THR 196 Cb -0.02 -2.50 0.19 0.00 1.34 0.00 0.00 72.50 71.51 2x22 s THR 196 CO 0.14 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.29 2x22 h LEU 197 N 0.91 0.68 -0.58 4.79 5.85 -1.91 -1.69 115.31 123.36 2x22 h LEU 197 Ca -0.39 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 2x22 h LEU 197 Cb 1.28 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2x22 h LEU 197 CO 0.59 0.43 0.14 0.00 -0.34 0.00 0.00 178.44 179.25 2x22 h ALA 198 N 1.40 0.77 -0.62 1.25 0.00 -1.96 0.88 119.26 120.98 2x22 h ALA 198 Ca 0.35 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2x22 h ALA 198 Cb 0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2x22 h ALA 198 CO -0.20 0.48 0.29 1.98 0.00 0.00 0.00 179.25 181.80 2x22 h MET 199 N 0.84 0.50 0.06 0.00 1.85 -1.70 0.49 114.93 116.97 2x22 h MET 199 Ca 0.18 -0.03 -0.19 0.00 -0.61 0.00 0.00 59.70 59.05 2x22 h MET 199 Cb 0.36 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.27 2x22 h MET 199 CO 0.00 0.33 -0.97 0.66 -0.40 0.00 0.00 176.91 176.53 2x22 h SER 200 N 0.52 0.20 0.16 1.39 4.64 -0.80 0.22 113.55 119.88 2x22 h SER 200 Ca 0.30 -0.81 -0.22 0.00 -0.47 0.00 0.00 61.79 60.59 2x22 h SER 200 Cb 0.29 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2x22 h SER 200 CO -0.24 1.41 -0.97 0.00 -0.87 0.00 0.00 176.83 176.16 2x22 h ALA 201 N -0.14 -0.09 0.00 5.18 0.00 0.71 -2.47 119.26 122.46 2x22 h ALA 201 Ca -0.23 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 53.91 2x22 h ALA 201 Cb 1.45 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2x22 h ALA 201 CO -0.02 0.46 -0.38 0.82 0.00 0.00 0.00 179.25 180.13 2x22 h ILE 202 N -0.27 0.30 -0.03 0.00 2.04 -1.06 -2.90 117.51 115.58 2x22 h ILE 202 Ca -0.17 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 2x22 h ILE 202 Cb 1.75 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2x22 h ILE 202 CO 0.17 0.10 -0.07 0.58 0.00 0.00 0.00 178.15 178.93 2x22 h VAL 203 N -1.00 1.45 -0.33 1.67 2.07 -1.22 -2.94 116.25 115.96 2x22 h VAL 203 Ca -0.05 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 2x22 h VAL 203 Cb 0.49 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2x22 h VAL 203 CO -0.03 0.39 0.19 1.23 0.02 0.00 0.00 177.57 179.37 2x22 h GLY 204 N -0.45 0.48 1.49 2.17 0.00 -0.42 -2.91 103.07 103.43 2x22 h GLY 204 Ca -0.00 -0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.19 2x22 h GLY 204 CO 0.02 0.20 0.19 -1.33 0.00 0.00 0.00 176.54 175.61 2x22 h GLY 205 N 0.42 0.00 0.58 4.60 0.00 -1.23 -2.02 103.07 105.42 2x22 h GLY 205 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2x22 h GLY 205 CO -0.02 0.00 -0.53 0.00 0.00 0.00 0.00 176.54 175.99 2x22 n ALA 206 N -2.52 3.66 1.31 3.60 0.00 -1.11 -4.09 120.51 121.35 2x22 n ALA 206 Ca 0.03 -0.42 0.14 0.00 0.00 0.00 0.00 53.44 53.19 2x22 n ALA 206 Cb 0.34 -1.05 0.56 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.26 0.44 0.00 0.00 4.77 -0.76 -0.92 117.00 119.28 2x22 n LEU 207 Ca 0.07 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2x22 n LEU 207 Cb 0.34 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2x22 n LEU 207 CO 0.34 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2x22 n GLY 208 N 1.33 2.01 3.87 -0.72 0.00 -1.26 -4.69 105.19 105.74 2x22 n GLY 208 Ca 0.13 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2x22 n GLY 208 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x22 s GLU 209 N 0.00 3.35 -0.47 1.61 2.02 -1.26 -3.78 118.70 120.17 2x22 s GLU 209 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.68 2x22 s GLU 209 Cb 0.00 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2x22 s GLU 209 CO 0.00 0.69 0.00 0.39 0.02 0.00 0.00 175.26 176.36 2x22 n GLU 210 N 1.26 -0.37 -0.27 1.61 -0.58 -1.26 -4.96 120.64 116.06 2x22 n GLU 210 Ca -0.14 0.60 0.06 0.00 -0.42 0.00 0.00 57.16 57.27 2x22 n GLU 210 Cb 0.53 -4.27 0.20 0.00 -0.57 0.00 0.00 31.44 27.33 2x22 n GLU 210 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2x22 h ALA 211 N 0.00 1.13 -0.57 0.62 0.00 -1.84 0.58 119.26 119.19 2x22 h ALA 211 Ca -0.09 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2x22 h ALA 211 Cb 0.32 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2x22 h ALA 211 CO 0.13 -0.19 0.29 0.78 0.00 0.00 0.00 179.25 180.26 2x22 h GLY 212 N 0.49 0.84 1.28 0.00 0.00 -1.93 -0.48 103.07 103.28 2x22 h GLY 212 Ca 0.43 -0.38 -0.25 0.00 0.00 0.00 0.00 47.33 47.13 2x22 h GLY 212 CO -0.40 0.36 -0.99 0.00 0.00 0.00 0.00 176.54 175.52 2x22 h ALA 213 N 1.53 0.21 -0.13 3.60 0.00 -1.47 -1.22 119.26 121.76 2x22 h ALA 213 Ca 0.20 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 2x22 h ALA 213 Cb 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2x22 h ALA 213 CO -0.03 0.71 -0.34 1.96 0.00 0.00 0.00 179.25 181.56 2x22 h GLN 214 N 0.38 0.27 -0.12 0.00 4.20 -0.69 0.15 115.11 119.30 2x22 h GLN 214 Ca -0.11 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 2x22 h GLN 214 Cb 1.63 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.40 2x22 h GLN 214 CO 0.19 0.58 -0.16 0.82 -0.67 0.00 0.00 178.83 179.59 2x22 h ILE 215 N 0.23 1.37 -1.00 2.54 2.04 -1.11 -0.42 117.51 121.16 2x22 h ILE 215 Ca 0.03 -1.37 0.16 0.00 1.00 0.00 0.00 64.86 64.68 2x22 h ILE 215 Cb 0.71 1.98 -0.10 0.00 -0.74 0.00 0.00 36.82 38.68 2x22 h ILE 215 CO 0.05 0.40 0.62 1.56 0.00 0.00 0.00 178.15 180.78 2x22 h GLN 216 N -0.09 0.85 -0.59 2.37 4.20 -1.02 -1.06 115.11 119.77 2x22 h GLN 216 Ca 0.01 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2x22 h GLN 216 Cb 0.71 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2x22 h GLN 216 CO 0.04 0.56 0.15 1.25 -0.67 0.00 0.00 178.83 180.16 2x22 h LEU 217 N 0.87 0.88 -0.71 1.46 5.85 -0.49 -2.02 115.31 121.15 2x22 h LEU 217 Ca 0.54 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2x22 h LEU 217 Cb 0.70 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2x22 h LEU 217 CO -0.33 0.88 0.45 0.25 -0.34 0.00 0.00 178.44 179.34 2x22 h LEU 218 N 0.84 0.84 -0.58 2.25 5.85 -0.16 -0.94 115.31 123.41 2x22 h LEU 218 Ca 0.19 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2x22 h LEU 218 Cb 0.33 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2x22 h LEU 218 CO -0.00 0.64 0.25 -0.08 -0.34 0.00 0.00 178.44 178.91 2x22 h GLU 219 N 0.97 0.86 -0.30 1.25 4.81 -0.91 -0.76 114.58 120.50 2x22 h GLU 219 Ca 0.26 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 2x22 h GLU 219 Cb -0.06 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 2x22 h GLU 219 CO -0.05 0.72 -0.48 0.93 -0.73 0.00 0.00 179.01 179.40 2x22 h GLU 220 N 0.80 0.81 -0.56 1.92 5.08 -1.05 0.96 114.58 122.54 2x22 h GLU 220 Ca 0.20 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 2x22 h GLU 220 Cb 0.17 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2x22 h GLU 220 CO -0.02 1.11 -0.02 0.78 -1.00 0.00 0.00 179.01 179.86 2x22 h GLY 221 N 0.82 1.06 0.61 -3.84 0.00 -1.10 -1.58 103.07 99.03 2x22 h GLY 221 Ca 0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 2x22 h GLY 221 CO 0.11 0.71 -0.01 -0.25 0.00 0.00 0.00 176.54 177.09 2x22 h TRP 222 N 0.90 -0.03 -0.69 5.60 2.91 -0.75 -1.56 115.95 122.33 2x22 h TRP 222 Ca 0.16 -0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.31 2x22 h TRP 222 Cb 0.55 0.01 -0.10 0.00 -0.51 0.00 0.00 29.16 29.11 2x22 h TRP 222 CO 0.04 0.36 0.19 0.22 -1.03 0.00 0.00 178.44 178.22 2x22 h ASP 223 N -0.42 0.08 -0.79 2.65 3.58 -0.83 -0.07 116.42 120.62 2x22 h ASP 223 Ca -0.00 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2x22 h ASP 223 Cb 0.40 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 2x22 h ASP 223 CO 0.00 0.02 0.40 -0.61 -2.88 0.00 0.00 179.24 176.17 2x22 h GLN 224 N 0.31 1.12 0.01 0.28 -0.00 -1.14 -3.17 115.11 112.52 2x22 h GLN 224 Ca 0.37 -0.15 -0.19 0.00 -0.00 0.00 0.00 58.65 58.68 2x22 h GLN 224 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 2x22 h GLN 224 CO -0.44 0.86 -0.88 -0.09 0.00 0.00 0.00 178.83 178.27 2x22 h ARG 225 N 1.11 0.09 -6.22 1.69 2.43 -0.20 -3.43 114.38 109.85 2x22 h ARG 225 Ca 0.27 -0.11 -0.56 0.00 -0.81 0.00 0.00 59.98 58.77 2x22 h ARG 225 Cb 0.09 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2x22 h ARG 225 CO -0.04 0.91 1.00 0.00 -1.51 0.00 0.00 179.97 180.34 2x22 s ALA 226 N -3.10 3.58 0.48 2.80 0.00 -0.15 -4.49 121.76 120.88 2x22 s ALA 226 Ca -0.01 0.62 0.17 0.00 0.00 0.00 0.00 51.96 52.73 2x22 s ALA 226 Cb 0.10 -3.70 1.17 0.00 0.00 0.00 0.00 23.12 20.69 2x22 s ALA 226 CO 0.81 -1.38 2.02 -1.35 0.00 0.00 0.00 175.76 175.86 2x22 h PRO 227 N 9.06 0.21 -0.61 0.00 0.11 -1.79 -1.04 132.00 137.95 2x22 h PRO 227 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2x22 h PRO 227 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2x22 h PRO 227 CO 0.97 0.14 0.00 0.44 -0.21 0.00 0.00 178.00 179.34 2x22 n ILE 228 N -4.46 1.96 -0.36 4.15 -5.35 -1.23 -5.07 119.36 109.00 2x22 n ILE 228 Ca 0.07 -1.26 0.05 0.00 -0.27 0.00 0.00 62.75 61.33 2x22 n ILE 228 Cb 0.36 0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.32 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 0.94 -1.99 3.24 3.28 0.00 -0.40 -5.02 105.19 105.24 2x22 n GLY 229 Ca 0.25 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.13 -0.42 -0.27 1.61 -0.11 -1.26 -4.57 118.94 111.79 2x22 s TRP 230 Ca 0.00 1.00 0.01 0.00 1.22 0.00 0.00 56.10 58.33 2x22 s TRP 230 Cb 0.00 0.15 0.07 0.00 -1.50 0.00 0.00 33.47 32.19 2x22 s TRP 230 CO 0.00 -0.22 -0.01 1.21 -4.62 0.00 0.00 176.95 173.32 2x22 s ASN 231 N 0.46 4.05 0.29 5.86 2.47 -1.26 -4.47 114.94 122.34 2x22 s ASN 231 Ca -0.02 -1.44 0.22 0.00 0.42 0.00 0.00 52.86 52.04 2x22 s ASN 231 Cb -0.04 -1.20 1.07 0.00 -1.45 0.00 0.00 41.25 39.62 2x22 s ASN 231 CO -0.02 -0.30 1.67 0.23 -3.72 0.00 0.00 177.10 174.97 2x22 n MET 232 N 4.63 0.16 0.00 0.43 2.81 -1.26 -2.54 117.12 121.35 2x22 n MET 232 Ca -0.07 0.54 0.14 0.00 -1.81 0.00 0.00 57.70 56.49 2x22 n MET 232 Cb 0.43 -1.91 0.55 0.00 -0.71 0.00 0.00 33.22 31.58 2x22 n MET 232 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2x22 n LYS 233 N -2.24 0.83 -3.83 0.03 5.02 -1.26 -1.20 118.16 115.52 2x22 n LYS 233 Ca 0.00 -0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 55.64 2x22 n LYS 233 Cb 0.12 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.48 2x22 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x22 s ASP 234 N -2.42 3.20 0.00 4.39 2.15 -1.05 -4.96 116.67 117.99 2x22 s ASP 234 Ca 0.29 -0.91 0.27 0.00 0.43 0.00 0.00 52.55 52.63 2x22 s ASP 234 Cb 0.20 -0.84 0.86 0.00 -0.30 0.00 0.00 42.92 42.84 2x22 s ASP 234 CO 0.47 -0.26 1.65 0.00 -0.17 0.00 0.00 175.17 176.86 2x22 n ALA 235 N 4.90 3.03 -0.25 3.66 0.00 -1.26 -4.37 120.51 126.22 2x22 n ALA 235 Ca -0.10 -0.27 0.02 0.00 0.00 0.00 0.00 53.44 53.08 2x22 n ALA 235 Cb 0.46 -1.26 0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 0.20 0.84 -0.18 0.00 2.02 -1.94 0.05 112.91 113.90 2x22 h THR 236 Ca 0.00 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2x22 h THR 236 Cb 0.47 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2x22 h THR 236 CO 0.00 0.11 0.01 -0.65 0.37 0.00 0.00 175.52 175.36 2x22 h PRO 237 N 0.60 0.25 -0.11 6.66 0.11 -1.99 0.72 132.00 138.24 2x22 h PRO 237 Ca 0.36 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.27 2x22 h PRO 237 Cb 0.38 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.45 2x22 h PRO 237 CO -0.28 0.27 -0.56 0.28 -0.21 0.00 0.00 178.00 177.51 2x22 h VAL 238 N 0.25 1.35 -0.77 3.15 2.07 -1.47 -2.68 116.25 118.14 2x22 h VAL 238 Ca 0.06 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 2x22 h VAL 238 Cb 0.16 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2x22 h VAL 238 CO 0.00 0.56 0.33 0.00 0.02 0.00 0.00 177.57 178.48 2x22 h ALA 239 N 0.49 1.00 -0.76 1.67 0.00 -0.22 -2.28 119.26 119.15 2x22 h ALA 239 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2x22 h ALA 239 Cb 1.20 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2x22 h ALA 239 CO 0.12 0.61 0.42 0.87 0.00 0.00 0.00 179.25 181.26 2x22 h LYS 240 N 1.11 1.04 -0.45 0.00 1.57 -0.91 -0.71 116.57 118.23 2x22 h LYS 240 Ca 0.26 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2x22 h LYS 240 Cb 0.19 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2x22 h LYS 240 CO -0.02 0.76 0.16 1.15 -0.57 0.00 0.00 179.45 180.92 2x22 h THR 241 N 1.05 1.21 -0.68 -0.16 2.02 -1.09 0.94 112.91 116.21 2x22 h THR 241 Ca 0.27 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2x22 h THR 241 Cb 0.02 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2x22 h THR 241 CO -0.04 0.25 0.43 0.58 0.37 0.00 0.00 175.52 177.10 2x22 h VAL 242 N 0.58 1.19 -0.60 3.16 2.07 -1.02 -2.13 116.25 119.50 2x22 h VAL 242 Ca 0.15 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2x22 h VAL 242 Cb 0.23 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2x22 h VAL 242 CO -0.01 0.19 0.23 0.00 0.02 0.00 0.00 177.57 178.00 2x22 h ALA 244 N 1.39 1.09 0.00 0.00 0.00 -0.18 -1.46 119.26 120.11 2x22 h ALA 244 Ca 0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2x22 h ALA 244 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2x22 h ALA 244 CO -0.02 0.31 -0.27 -0.07 0.00 0.00 0.00 179.25 179.20 2x22 h LEU 245 N 0.99 0.00 -0.42 0.00 3.38 -0.82 -2.65 115.31 115.79 2x22 h LEU 245 Ca 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 2x22 h LEU 245 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2x22 h LEU 245 CO -0.13 0.27 -0.16 -0.07 0.09 0.00 0.00 178.44 178.44 2x22 h LEU 246 N 0.00 0.00-10.70 1.67 3.38 -0.34 -3.46 115.31 105.86 2x22 h LEU 246 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 2x22 h LEU 246 Cb 0.89 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.83 2x22 h LEU 246 CO 0.04 0.16 0.32 -0.94 0.09 0.00 0.00 178.44 178.10 2x22 s SER 247 N -6.18 2.04 0.00 -0.43 1.04 -0.63 -4.80 113.70 104.75 2x22 s SER 247 Ca 0.04 0.29 0.18 0.00 0.48 0.00 0.00 55.95 56.94 2x22 s SER 247 Cb 0.07 -0.31 0.75 0.00 0.10 0.00 0.00 66.02 66.63 2x22 s SER 247 CO 0.66 -3.40 1.53 0.47 0.98 0.00 0.00 173.24 173.48 2x22 n ASP 248 N -4.22 1.09 -0.25 7.02 8.00 -1.26 -4.27 116.55 122.66 2x22 n ASP 248 Ca 0.16 -1.68 0.13 0.00 0.71 0.00 0.00 54.79 54.11 2x22 n ASP 248 Cb 0.59 -0.08 0.32 0.00 -0.02 0.00 0.00 41.12 41.93 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 -0.03 0.00 -3.09 1.24 7.02 -1.26 -4.02 117.44 117.29 2x22 n TRP 249 Ca 0.14 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.37 2x22 n TRP 249 Cb 0.23 -0.12 -0.05 0.00 -2.42 0.00 0.00 31.31 28.95 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 -0.67 3.18 0.15 -0.99 4.77 -1.26 -4.96 117.00 117.23 2x22 n LEU 250 Ca 0.11 -5.41 0.13 0.00 -0.03 0.00 0.00 56.01 50.81 2x22 n LEU 250 Cb 0.36 -0.18 0.44 0.00 -2.33 0.00 0.00 43.42 41.70 2x22 n LEU 250 CO 0.27 2.27 0.88 1.55 -1.33 0.00 0.00 177.39 181.04 2x22 h PRO 251 N 3.25 0.00 -0.30 3.23 0.13 -1.88 -3.25 132.00 133.18 2x22 h PRO 251 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2x22 h PRO 251 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2x22 h PRO 251 CO 0.72 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 2x22 n ALA 252 N -1.86 2.75 -3.51 -0.56 0.00 -1.26 -4.96 120.51 111.12 2x22 n ALA 252 Ca 0.04 -1.93 -0.35 0.00 0.00 0.00 0.00 53.44 51.20 2x22 n ALA 252 Cb 0.36 -0.64 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.24 3.21 0.05 0.00 2.01 -1.23 -5.09 115.64 112.35 2x22 s THR 253 Ca 0.36 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.59 2x22 s THR 253 Cb 0.27 -2.44 0.05 0.00 0.01 0.00 0.00 72.50 70.40 2x22 s THR 253 CO 0.11 0.45 0.51 0.28 -0.69 0.00 0.00 174.62 175.28 2x22 s THR 254 N 1.30 0.03 -0.48 -0.82 -1.32 -1.26 -4.65 115.64 108.45 2x22 s THR 254 Ca 0.04 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2x22 s THR 254 Cb -0.14 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2x22 s THR 254 CO -0.03 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 2x22 n GLY 255 N 0.36 0.70 3.72 6.08 0.00 0.11 -4.95 105.19 111.21 2x22 n GLY 255 Ca -0.18 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 2x22 n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x22 s ASP 256 N -2.53 4.15 -0.10 1.61 -1.08 -1.23 -4.52 116.67 112.97 2x22 s ASP 256 Ca 0.00 -1.39 0.02 0.00 -0.52 0.00 0.00 52.55 50.66 2x22 s ASP 256 Cb 0.00 -0.04 0.01 0.00 -1.46 0.00 0.00 42.92 41.43 2x22 s ASP 256 CO 0.00 -0.66 -0.15 -0.63 0.52 0.00 0.00 175.17 174.25 2x22 s ILE 257 N -2.75 1.42 -0.16 4.11 1.01 -1.26 -0.49 121.20 123.09 2x22 s ILE 257 Ca 0.27 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 2x22 s ILE 257 Cb 0.05 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 2x22 s ILE 257 CO 0.14 0.42 -0.02 -0.63 0.00 0.00 0.00 174.94 174.86 2x22 s ILE 258 N 0.92 4.03 -0.45 2.92 1.01 -0.10 -4.95 121.20 124.58 2x22 s ILE 258 Ca -0.08 -0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 2x22 s ILE 258 Cb -0.15 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 39.59 2x22 s ILE 258 CO -0.00 0.49 0.42 -0.31 0.00 0.00 0.00 174.94 175.54 2x22 s TYR 259 N 0.37 3.19 -1.02 3.97 1.51 -1.26 -0.02 117.35 124.09 2x22 s TYR 259 Ca -0.03 -0.63 -0.02 0.00 -1.01 0.00 0.00 57.07 55.38 2x22 s TYR 259 Cb -0.14 -3.02 0.31 0.00 -0.11 0.00 0.00 41.96 39.00 2x22 s TYR 259 CO 0.03 -0.76 1.45 0.00 -1.11 0.00 0.00 175.55 175.16 2x22 n ALA 260 N 5.46 5.20 -1.63 3.71 0.00 -0.16 -4.71 120.51 128.37 2x22 n ALA 260 Ca -0.10 -4.78 0.04 0.00 0.00 0.00 0.00 53.44 48.61 2x22 n ALA 260 Cb 0.46 -2.15 0.06 0.00 0.00 0.00 0.00 19.45 17.82 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 1.03 1.03 -0.01 0.00 5.75 -1.26 -1.82 116.55 121.29 2x22 n ASP 261 Ca 0.29 -2.49 -0.00 0.00 -0.01 0.00 0.00 54.79 52.58 2x22 n ASP 261 Cb 0.33 -0.31 -0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 -0.59 0.28 2.04 6.12 0.00 -1.26 -2.26 105.19 109.52 2x22 n GLY 262 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.20 0.48 0.37 -0.02 0.00 -1.26 -2.93 105.19 100.61 2x22 n GLY 263 Ca -0.00 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 1.65 0.00 4.61 0.00 -1.68 -2.04 119.26 121.80 2x22 h ALA 264 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2x22 h ALA 264 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2x22 h ALA 264 CO 0.00 0.12 0.00 -2.39 0.00 0.00 0.00 179.25 176.98 2x22 n HIS 265 N -4.58 0.00 1.02 0.00 1.44 -1.26 -2.15 115.22 109.69 2x22 n HIS 265 Ca 0.18 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.00 2x22 n HIS 265 Cb 0.38 -0.31 0.09 0.00 0.12 0.00 0.00 29.99 30.27 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 -1.31 0.00 -4.96 0.61 -2.24 -0.77 -4.92 114.28 100.69 2x22 n THR 266 Ca 0.06 -0.42 -0.28 0.00 -2.27 0.00 0.00 64.05 61.14 2x22 n THR 266 Cb 0.11 1.38 -0.17 0.00 -2.10 0.00 0.00 70.33 69.55 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 -2.15 2.28 0.03 -0.78 -1.52 -0.92 -5.03 119.66 111.57 2x22 s GLN 267 Ca 0.26 -0.69 -0.17 0.00 -1.95 0.00 0.00 55.36 52.80 2x22 s GLN 267 Cb 0.19 -1.84 -0.27 0.00 -0.22 0.00 0.00 33.01 30.87 2x22 s GLN 267 CO 0.38 0.19 1.08 1.25 -0.25 0.00 0.00 175.29 177.94 2x22 h LEU 268 N 6.55 0.72 0.00 2.90 5.85 -1.91 -3.49 115.31 125.93 2x22 h LEU 268 Ca -0.28 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.63 2x22 h LEU 268 Cb 1.20 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2x22 h LEU 268 CO 0.47 1.45 0.00 -0.11 -0.34 0.00 0.00 178.44 179.91