#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b35 s GLY 3 N 0.00 1.37 0.28 3.38 0.00 -1.26 -5.03 107.32 106.06 2b35 s GLY 3 Ca 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 44.72 43.34 2b35 s GLY 3 CO 0.00 -1.38 1.91 -2.00 0.00 0.00 0.00 173.10 171.63 2b35 h LEU 4 N 1.45 0.95 -3.45 0.66 7.12 -1.86 -2.35 115.31 117.83 2b35 h LEU 4 Ca -0.50 -0.07 -0.17 0.00 0.13 0.00 0.00 57.88 57.28 2b35 h LEU 4 Cb 1.23 -0.24 -0.10 0.00 -0.53 0.00 0.00 40.66 41.02 2b35 h LEU 4 CO 0.61 0.76 0.07 0.18 -0.13 0.00 0.00 178.44 179.93 2b35 n LEU 5 N -4.36 4.60 -4.67 2.25 7.99 -0.56 -4.76 117.00 117.50 2b35 n LEU 5 Ca 0.08 -3.45 -0.52 0.00 -0.01 0.00 0.00 56.01 52.11 2b35 n LEU 5 Cb 0.09 -0.64 -0.06 0.00 -0.11 0.00 0.00 43.42 42.70 2b35 n LEU 5 CO 0.38 0.99 1.24 0.47 -1.51 0.00 0.00 177.39 178.97 2b35 n ASP 6 N -0.81 2.61 0.00 -1.43 8.00 -0.89 -1.18 116.55 122.86 2b35 n ASP 6 Ca 0.33 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.89 2b35 n ASP 6 Cb 1.11 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2b35 n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b35 n GLY 7 N 3.71 0.56 3.83 0.44 0.00 -1.03 -4.96 105.19 107.73 2b35 n GLY 7 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2b35 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b35 s LYS 8 N -0.39 4.09 -0.25 1.61 1.02 -0.32 -4.85 119.74 120.65 2b35 s LYS 8 Ca 0.00 0.63 -0.09 0.00 0.02 0.00 0.00 55.97 56.53 2b35 s LYS 8 Cb 0.00 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2b35 s LYS 8 CO 0.00 0.54 0.13 1.03 -0.92 0.00 0.00 175.35 176.12 2b35 s ARG 9 N -1.61 3.84 -0.07 1.68 0.52 -1.25 0.08 118.95 122.15 2b35 s ARG 9 Ca 0.35 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 2b35 s ARG 9 Cb -0.17 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 31.85 2b35 s ARG 9 CO 0.19 -0.12 -0.09 0.42 0.02 0.00 0.00 175.30 175.72 2b35 s ILE 10 N 1.51 0.97 -0.10 1.52 1.01 0.09 0.47 121.20 126.66 2b35 s ILE 10 Ca 0.06 -0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.09 2b35 s ILE 10 Cb -0.15 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 2b35 s ILE 10 CO 0.06 0.33 0.86 -0.22 0.00 0.00 0.00 174.94 175.97 2b35 s LEU 11 N 0.92 4.26 -0.28 2.97 0.20 0.24 -1.79 118.68 125.20 2b35 s LEU 11 Ca -0.10 1.34 -0.01 0.00 0.69 0.00 0.00 54.13 56.05 2b35 s LEU 11 Cb -0.15 -3.33 0.05 0.00 -0.43 0.00 0.00 46.19 42.33 2b35 s LEU 11 CO 0.01 -0.32 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.02 2b35 s VAL 12 N 1.59 2.76 0.38 1.68 1.01 0.06 0.46 120.40 128.34 2b35 s VAL 12 Ca 0.43 -1.40 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 2b35 s VAL 12 Cb -0.18 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2b35 s VAL 12 CO 0.18 -0.04 0.63 -0.94 0.00 0.00 0.00 175.10 174.92 2b35 s SER 13 N 1.22 6.32 0.00 3.32 1.04 -0.71 -1.78 113.70 123.12 2b35 s SER 13 Ca -0.05 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2b35 s SER 13 Cb -0.19 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2b35 s SER 13 CO -0.03 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2b35 n GLY 14 N -1.73 0.87 3.71 7.32 0.00 -1.22 -4.11 105.19 110.03 2b35 n GLY 14 Ca -0.02 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2b35 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b35 s ILE 15 N -2.00 4.73 0.00 -0.61 1.01 -1.26 -4.64 121.20 118.43 2b35 s ILE 15 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.64 2b35 s ILE 15 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2b35 s ILE 15 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 174.94 175.11 2b35 n ILE 16 N 3.78 0.00 -4.42 2.92 0.13 -1.26 -4.76 119.36 115.75 2b35 n ILE 16 Ca 0.06 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.48 2b35 n ILE 16 Cb 0.50 -0.33 -0.08 0.00 -0.84 0.00 0.00 39.64 38.89 2b35 n ILE 16 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2b35 s THR 17 N -1.41 0.36 -2.41 9.51 -4.23 -1.26 -4.70 115.64 111.51 2b35 s THR 17 Ca 0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 2b35 s THR 17 Cb 0.00 -2.41 0.60 0.00 1.34 0.00 0.00 72.50 72.03 2b35 s THR 17 CO 0.00 0.00 1.81 -0.90 -0.54 0.00 0.00 174.62 174.99 2b35 n ASP 18 N -1.33 1.27 0.13 3.99 5.75 -1.26 -2.72 116.55 122.38 2b35 n ASP 18 Ca -0.01 -1.44 0.10 0.00 -0.01 0.00 0.00 54.79 53.44 2b35 n ASP 18 Cb 0.64 -0.01 0.04 0.00 -1.03 0.00 0.00 41.12 40.77 2b35 n ASP 18 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2b35 h SER 19 N 1.97 0.00 -3.02 -1.12 0.87 -1.96 -3.45 113.55 106.84 2b35 h SER 19 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2b35 h SER 19 Cb 0.42 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.47 2b35 h SER 19 CO 0.00 0.08 0.73 -1.20 -0.53 0.00 0.00 176.83 175.91 2b35 n SER 20 N -2.84 3.28 -0.20 6.23 7.64 -1.10 -4.63 113.62 121.99 2b35 n SER 20 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2b35 n SER 20 Cb 0.58 -1.51 0.11 0.00 -1.01 0.00 0.00 64.21 62.38 2b35 n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2b35 h ILE 21 N 3.14 0.68 -0.71 0.44 2.04 -1.90 -0.24 117.51 120.96 2b35 h ILE 21 Ca -0.46 -0.10 0.17 0.00 1.00 0.00 0.00 64.86 65.47 2b35 h ILE 21 Cb 1.25 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2b35 h ILE 21 CO 0.76 0.05 0.49 0.00 0.00 0.00 0.00 178.15 179.45 2b35 h ALA 22 N 1.46 2.35 -0.40 1.87 0.00 -1.86 -1.04 119.26 121.64 2b35 h ALA 22 Ca 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2b35 h ALA 22 Cb 0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2b35 h ALA 22 CO -0.37 -0.55 0.08 0.35 0.00 0.00 0.00 179.25 178.75 2b35 h PHE 23 N 0.22 0.69 -0.11 0.00 3.57 -1.30 -1.26 116.94 118.75 2b35 h PHE 23 Ca 0.35 -0.09 -0.22 0.00 3.53 0.00 0.00 57.97 61.53 2b35 h PHE 23 Cb 1.05 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.61 2b35 h PHE 23 CO -0.00 0.67 -0.82 0.45 -2.23 0.00 0.00 178.31 176.38 2b35 h HIS 24 N 0.51 0.95 0.05 0.41 3.86 -1.34 0.08 115.15 119.69 2b35 h HIS 24 Ca 0.12 -0.44 0.03 0.00 -1.16 0.00 0.00 60.37 58.92 2b35 h HIS 24 Cb 0.34 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 2b35 h HIS 24 CO 0.02 1.26 -0.27 0.82 0.86 0.00 0.00 177.93 180.63 2b35 h ILE 25 N 0.46 0.40 -0.57 2.45 2.04 -1.20 0.11 117.51 121.20 2b35 h ILE 25 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.82 2b35 h ILE 25 Cb 1.45 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 2b35 h ILE 25 CO 0.16 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.66 2b35 h ALA 26 N 0.33 0.74 -0.59 1.87 0.00 -1.12 0.28 119.26 120.77 2b35 h ALA 26 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2b35 h ALA 26 Cb 0.50 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2b35 h ALA 26 CO -0.20 0.07 0.35 -0.09 0.00 0.00 0.00 179.25 179.39 2b35 h ARG 27 N 0.68 0.68 -0.13 0.00 2.43 -0.79 -0.38 114.38 116.87 2b35 h ARG 27 Ca 0.23 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.18 2b35 h ARG 27 Cb 0.02 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2b35 h ARG 27 CO -0.10 0.45 -0.64 0.28 -1.51 0.00 0.00 179.97 178.45 2b35 h VAL 28 N 0.70 1.32 -0.77 0.20 2.07 0.00 -0.25 116.25 119.52 2b35 h VAL 28 Ca 0.24 -1.89 0.05 0.00 0.82 0.00 0.00 66.70 65.92 2b35 h VAL 28 Cb 0.03 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 2b35 h VAL 28 CO -0.11 0.59 0.50 0.00 0.02 0.00 0.00 177.57 178.57 2b35 h ALA 29 N 0.51 1.60 -0.03 1.67 0.00 -0.30 -0.39 119.26 122.32 2b35 h ALA 29 Ca -0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 2b35 h ALA 29 Cb 1.27 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.84 2b35 h ALA 29 CO 0.13 0.30 -0.96 1.96 0.00 0.00 0.00 179.25 180.68 2b35 h GLN 30 N 0.88 0.71 -0.80 0.00 4.20 -1.03 -0.05 115.11 119.02 2b35 h GLN 30 Ca 0.32 -0.72 0.19 0.00 0.06 0.00 0.00 58.65 58.50 2b35 h GLN 30 Cb 0.15 0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 2b35 h GLN 30 CO -0.10 1.30 0.54 0.93 -0.67 0.00 0.00 178.83 180.83 2b35 h GLU 31 N 0.39 0.29 -0.58 1.46 5.08 -0.56 -2.74 114.58 117.93 2b35 h GLU 31 Ca -0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2b35 h GLU 31 Cb 1.61 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2b35 h GLU 31 CO 0.19 0.19 0.01 1.04 -1.00 0.00 0.00 179.01 179.44 2b35 n GLN 32 N -4.45 4.87 -0.52 2.33 1.13 -0.20 -4.95 117.38 115.59 2b35 n GLN 32 Ca 0.16 -3.17 0.00 0.00 -1.94 0.00 0.00 57.00 52.05 2b35 n GLN 32 Cb 0.66 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.74 2b35 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2b35 n GLY 33 N 0.58 0.73 3.80 1.08 0.00 -1.03 -1.50 105.19 108.86 2b35 n GLY 33 Ca 0.28 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2b35 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b35 s ALA 34 N -2.00 3.33 -0.27 4.61 0.00 -0.05 -2.45 121.76 124.93 2b35 s ALA 34 Ca 0.00 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 2b35 s ALA 34 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 2b35 s ALA 34 CO 0.00 0.27 0.57 -1.14 0.00 0.00 0.00 175.76 175.46 2b35 s GLN 35 N -2.04 4.02 0.03 0.00 0.74 0.11 -4.45 119.66 118.07 2b35 s GLN 35 Ca 0.46 0.35 -0.01 0.00 0.05 0.00 0.00 55.36 56.22 2b35 s GLN 35 Cb -0.17 -3.68 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 2b35 s GLN 35 CO 0.22 -0.43 0.18 -0.51 -0.55 0.00 0.00 175.29 174.20 2b35 s LEU 36 N 2.44 4.29 -0.05 3.68 1.43 -1.26 -0.73 118.68 128.47 2b35 s LEU 36 Ca 0.23 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2b35 s LEU 36 Cb -0.15 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 2b35 s LEU 36 CO 0.10 0.21 -0.14 -0.69 0.23 0.00 0.00 176.35 176.06 2b35 s VAL 37 N -1.41 3.10 0.06 -1.59 1.01 -0.74 -4.25 120.40 116.58 2b35 s VAL 37 Ca 0.31 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.67 2b35 s VAL 37 Cb -0.13 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2b35 s VAL 37 CO 0.23 0.59 -0.24 -0.76 0.00 0.00 0.00 175.10 174.93 2b35 s LEU 38 N -0.68 2.20 0.11 3.92 1.43 -0.20 -0.76 118.68 124.69 2b35 s LEU 38 Ca 0.10 -0.59 0.09 0.00 -1.03 0.00 0.00 54.13 52.71 2b35 s LEU 38 Cb -0.11 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2b35 s LEU 38 CO 0.01 0.19 -0.21 0.42 0.23 0.00 0.00 176.35 176.99 2b35 s THR 39 N -0.86 2.67 0.02 5.49 -4.23 -0.73 0.02 115.64 118.01 2b35 s THR 39 Ca 0.10 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 2b35 s THR 39 Cb -0.10 -2.19 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 2b35 s THR 39 CO 0.03 0.14 -0.01 -0.83 -0.54 0.00 0.00 174.62 173.41 2b35 s GLY 40 N -1.99 0.24 0.00 3.99 0.00 0.19 -3.37 107.32 106.38 2b35 s GLY 40 Ca 0.16 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2b35 s GLY 40 CO 0.08 -0.69 0.00 0.33 0.00 0.00 0.00 173.10 172.83 2b35 n PHE 41 N 1.41 0.00 0.02 1.90 7.35 -1.25 -0.33 117.46 126.55 2b35 n PHE 41 Ca -0.23 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.45 2b35 n PHE 41 Cb 0.56 -0.10 -0.00 0.00 0.35 0.00 0.00 39.48 40.28 2b35 n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2b35 n ASP 42 N -1.21 0.81 -4.38 -2.13 2.03 -1.26 -4.53 116.55 105.88 2b35 n ASP 42 Ca 0.00 0.11 -0.43 0.00 0.52 0.00 0.00 54.79 54.99 2b35 n ASP 42 Cb 0.00 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 2b35 n ASP 42 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2b35 n ARG 43 N -3.39 3.16 -0.00 -0.67 1.74 -1.26 -4.80 116.66 111.44 2b35 n ARG 43 Ca -0.02 -3.21 -0.15 0.00 -0.77 0.00 0.00 57.85 53.70 2b35 n ARG 43 Cb 0.20 -3.40 -0.04 0.00 -1.02 0.00 0.00 32.46 28.20 2b35 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2b35 h LEU 44 N 11.65 0.81 -0.34 0.55 3.38 -1.93 -2.88 115.31 126.55 2b35 h LEU 44 Ca 0.46 -0.53 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 2b35 h LEU 44 Cb 0.82 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2b35 h LEU 44 CO 1.53 1.31 -0.45 0.03 0.09 0.00 0.00 178.44 180.94 2b35 h ARG 45 N 0.47 0.90 -0.72 1.13 3.08 -1.99 -0.39 114.38 116.85 2b35 h ARG 45 Ca -0.04 -0.52 -0.04 0.00 0.07 0.00 0.00 59.98 59.44 2b35 h ARG 45 Cb 1.37 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 2b35 h ARG 45 CO 0.15 1.17 0.29 1.25 -1.07 0.00 0.00 179.97 181.76 2b35 h LEU 46 N 0.70 1.00 0.00 3.04 6.46 -1.96 -2.51 115.31 122.04 2b35 h LEU 46 Ca 0.04 -0.17 -0.06 0.00 -0.12 0.00 0.00 57.88 57.57 2b35 h LEU 46 Cb 1.06 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 2b35 h LEU 46 CO 0.11 0.89 -0.72 0.16 -0.62 0.00 0.00 178.44 178.26 2b35 h ILE 47 N 1.04 0.31 -0.84 4.05 3.07 -1.45 -1.90 117.51 121.78 2b35 h ILE 47 Ca 0.24 -1.51 0.13 0.00 1.55 0.00 0.00 64.86 65.28 2b35 h ILE 47 Cb 0.21 1.96 -0.09 0.00 -0.27 0.00 0.00 36.82 38.63 2b35 h ILE 47 CO -0.02 0.18 0.45 1.56 -1.05 0.00 0.00 178.15 179.26 2b35 h GLN 48 N 0.00 0.64 -0.12 0.16 1.08 -0.94 0.78 115.11 116.71 2b35 h GLN 48 Ca -0.04 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 56.97 2b35 h GLN 48 Cb 1.22 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 2b35 h GLN 48 CO 0.03 0.43 -0.59 -0.09 -0.95 0.00 0.00 178.83 177.65 2b35 h ARG 49 N 0.66 0.41 -0.10 1.46 2.43 -0.98 -1.95 114.38 116.31 2b35 h ARG 49 Ca 0.45 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 2b35 h ARG 49 Cb 0.59 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2b35 h ARG 49 CO -0.34 0.88 -0.29 0.82 -1.51 0.00 0.00 179.97 179.53 2b35 h ILE 50 N 0.31 1.40 0.00 1.20 1.08 -1.00 -3.28 117.51 117.21 2b35 h ILE 50 Ca -0.00 -1.62 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 2b35 h ILE 50 Cb 1.12 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 2b35 h ILE 50 CO 0.10 0.47 0.00 0.35 -0.69 0.00 0.00 178.15 178.38 2b35 n THR 51 N -4.43 0.78 0.47 -0.27 -2.24 0.27 -0.70 114.28 108.16 2b35 n THR 51 Ca -0.08 0.13 0.10 0.00 -2.27 0.00 0.00 64.05 61.94 2b35 n THR 51 Cb 0.48 -1.04 0.42 0.00 -2.10 0.00 0.00 70.33 68.08 2b35 n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2b35 n ASP 52 N -2.21 0.39 -0.07 3.42 10.43 -0.74 -3.17 116.55 124.60 2b35 n ASP 52 Ca 0.03 0.59 0.13 0.00 2.57 0.00 0.00 54.79 58.11 2b35 n ASP 52 Cb 0.27 -0.68 0.47 0.00 1.84 0.00 0.00 41.12 43.02 2b35 n ASP 52 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2b35 n ARG 53 N -1.93 0.33 -1.45 -1.24 1.74 0.12 -4.90 116.66 109.32 2b35 n ARG 53 Ca 0.03 -0.13 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 2b35 n ARG 53 Cb 0.22 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.23 2b35 n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2b35 s LEU 54 N -2.77 3.11 0.27 0.55 1.43 -1.19 -4.96 118.68 115.13 2b35 s LEU 54 Ca 0.19 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 2b35 s LEU 54 Cb 0.19 -4.51 0.54 0.00 0.03 0.00 0.00 46.19 42.44 2b35 s LEU 54 CO 0.57 -1.71 1.81 -0.65 0.23 0.00 0.00 176.35 176.59 2b35 h PRO 55 N -0.83 0.82 -5.24 1.29 0.11 -1.90 -3.44 132.00 122.81 2b35 h PRO 55 Ca -0.44 -0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.25 2b35 h PRO 55 Cb 1.22 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 31.99 2b35 h PRO 55 CO 0.54 0.54 -0.73 0.00 -0.21 0.00 0.00 178.00 178.15 2b35 s ALA 56 N -5.96 1.56 0.44 -0.75 0.00 -1.26 -5.12 121.76 110.66 2b35 s ALA 56 Ca -0.12 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 2b35 s ALA 56 Cb 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.26 2b35 s ALA 56 CO 0.80 -0.02 0.84 -1.59 0.00 0.00 0.00 175.76 175.79 2b35 s LYS 57 N -3.44 3.85 -0.20 0.00 -2.85 -1.26 -5.01 119.74 110.82 2b35 s LYS 57 Ca 0.16 0.65 -0.23 0.00 -1.00 0.00 0.00 55.97 55.54 2b35 s LYS 57 Cb -0.00 -2.31 0.06 0.00 -2.06 0.00 0.00 37.83 33.53 2b35 s LYS 57 CO 0.02 -0.11 0.63 0.00 0.10 0.00 0.00 175.35 176.00 2b35 s ALA 58 N -2.44 -1.58 0.43 0.59 0.00 -1.26 -4.84 121.76 112.67 2b35 s ALA 58 Ca 0.54 1.68 -0.26 0.00 0.00 0.00 0.00 51.96 53.92 2b35 s ALA 58 Cb -0.10 -0.85 -0.09 0.00 0.00 0.00 0.00 23.12 22.07 2b35 s ALA 58 CO 0.30 -0.31 1.43 -2.30 0.00 0.00 0.00 175.76 174.89 2b35 n PRO 59 N 2.41 2.32 -4.03 0.00 -0.02 -1.26 -4.85 135.00 129.57 2b35 n PRO 59 Ca -0.15 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 2b35 n PRO 59 Cb 0.56 -2.62 -0.15 0.00 -0.02 0.00 0.00 33.50 31.27 2b35 n PRO 59 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2b35 s LEU 60 N -2.47 3.54 0.07 2.45 1.98 -1.26 -1.04 118.68 121.95 2b35 s LEU 60 Ca 0.59 -1.51 -0.02 0.00 -2.89 0.00 0.00 54.13 50.31 2b35 s LEU 60 Cb -0.46 -1.49 -0.04 0.00 0.66 0.00 0.00 46.19 44.85 2b35 s LEU 60 CO 0.59 -0.24 0.24 -0.76 -1.89 0.00 0.00 176.35 174.30 2b35 s LEU 61 N 1.12 4.34 -0.02 -0.68 1.43 0.10 -4.97 118.68 120.00 2b35 s LEU 61 Ca -0.04 0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 53.15 2b35 s LEU 61 Cb -0.20 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 2b35 s LEU 61 CO -0.06 0.16 0.81 -0.70 0.23 0.00 0.00 176.35 176.78 2b35 s GLU 62 N -2.45 4.49 -0.22 1.70 2.12 -1.26 -0.64 118.70 122.44 2b35 s GLU 62 Ca 0.35 1.10 -0.03 0.00 0.36 0.00 0.00 54.97 56.75 2b35 s GLU 62 Cb -0.13 -3.44 0.11 0.00 0.26 0.00 0.00 34.13 30.93 2b35 s GLU 62 CO 0.26 0.07 0.25 -1.17 -0.54 0.00 0.00 175.26 174.13 2b35 s LEU 63 N 0.70 -0.17 -0.37 2.70 2.96 0.55 -4.82 118.68 120.23 2b35 s LEU 63 Ca 0.43 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 2b35 s LEU 63 Cb -0.19 0.46 0.02 0.00 0.50 0.00 0.00 46.19 46.98 2b35 s LEU 63 CO 0.22 -0.34 0.22 -0.62 -1.32 0.00 0.00 176.35 174.52 2b35 s ASP 64 N 2.35 5.81 0.00 3.68 -1.08 -1.26 -3.95 116.67 122.22 2b35 s ASP 64 Ca 0.08 -0.85 0.18 0.00 -0.52 0.00 0.00 52.55 51.44 2b35 s ASP 64 Cb -0.15 -2.06 0.80 0.00 -1.46 0.00 0.00 42.92 40.04 2b35 s ASP 64 CO -0.17 -0.36 1.58 1.33 0.52 0.00 0.00 175.17 178.08 2b35 n VAL 65 N 5.04 0.71 0.55 1.11 0.24 -1.26 -1.16 118.33 123.57 2b35 n VAL 65 Ca -0.12 0.18 0.13 0.00 -2.04 0.00 0.00 64.34 62.49 2b35 n VAL 65 Cb 0.47 -0.86 0.39 0.00 -1.47 0.00 0.00 33.84 32.37 2b35 n VAL 65 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2b35 h GLN 66 N 0.00 0.00 -5.41 7.34 4.20 -1.94 -3.45 115.11 115.85 2b35 h GLN 66 Ca 0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 2b35 h GLN 66 Cb 0.30 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.94 2b35 h GLN 66 CO 0.00 0.00 0.08 1.21 -0.67 0.00 0.00 178.83 179.45 2b35 s ASN 67 N -4.73 6.40 0.38 1.46 3.04 -0.31 -4.96 114.94 116.23 2b35 s ASN 67 Ca 0.09 0.13 0.15 0.00 0.04 0.00 0.00 52.86 53.27 2b35 s ASN 67 Cb 0.11 -2.31 0.77 0.00 -1.54 0.00 0.00 41.25 38.29 2b35 s ASN 67 CO 0.58 -0.54 1.83 -0.08 -3.04 0.00 0.00 177.10 175.85 2b35 h GLU 68 N 8.43 0.00 0.00 0.43 4.57 -1.87 -2.87 114.58 123.26 2b35 h GLU 68 Ca -0.27 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.72 2b35 h GLU 68 Cb 1.12 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 2b35 h GLU 68 CO 0.81 0.36 -0.86 0.93 -1.18 0.00 0.00 179.01 179.07 2b35 h GLU 69 N 0.00 0.12 -0.43 1.92 5.08 -1.93 -2.42 114.58 116.91 2b35 h GLU 69 Ca -0.00 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 2b35 h GLU 69 Cb 0.68 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2b35 h GLU 69 CO 0.05 0.91 -0.03 0.45 -1.00 0.00 0.00 179.01 179.38 2b35 h HIS 70 N 0.07 0.77 0.08 4.33 3.86 -1.82 -3.02 115.15 119.42 2b35 h HIS 70 Ca -0.03 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2b35 h HIS 70 Cb 1.50 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2b35 h HIS 70 CO 0.02 0.74 -0.04 -0.07 0.86 0.00 0.00 177.93 179.44 2b35 h LEU 71 N 0.67 -0.09 -0.73 2.43 4.07 -1.44 -2.82 115.31 117.41 2b35 h LEU 71 Ca 0.13 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.68 2b35 h LEU 71 Cb 0.46 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2b35 h LEU 71 CO 0.02 0.38 0.00 0.00 -1.08 0.00 0.00 178.44 177.77 2b35 h ALA 72 N 0.27 1.00 -0.02 1.53 0.00 -1.54 -2.55 119.26 117.95 2b35 h ALA 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b35 h ALA 72 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2b35 h ALA 72 CO 0.02 0.00 -0.42 -1.13 0.00 0.00 0.00 179.25 177.72 2b35 n SER 73 N -2.46 2.16 -0.09 0.00 3.41 -1.14 -4.66 113.62 110.83 2b35 n SER 73 Ca 0.02 -1.58 -0.10 0.00 -0.26 0.00 0.00 58.87 56.95 2b35 n SER 73 Cb 0.29 0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 2b35 n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2b35 h LEU 74 N 2.72 0.43 0.01 1.04 6.46 -1.18 -1.90 115.31 122.89 2b35 h LEU 74 Ca 0.00 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 2b35 h LEU 74 Cb 0.79 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 2b35 h LEU 74 CO 0.00 0.55 -0.19 0.00 -0.62 0.00 0.00 178.44 178.17 2b35 h ALA 75 N 0.90 -0.25 -0.22 1.25 0.00 -1.81 0.73 119.26 119.86 2b35 h ALA 75 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2b35 h ALA 75 Cb 0.28 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2b35 h ALA 75 CO 0.00 -0.69 0.10 0.78 0.00 0.00 0.00 179.25 179.44 2b35 h GLY 76 N -0.32 0.29 1.00 0.00 0.00 -1.84 0.12 103.07 102.32 2b35 h GLY 76 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2b35 h GLY 76 CO -0.17 0.06 0.37 3.21 0.00 0.00 0.00 176.54 180.01 2b35 h ARG 77 N 0.23 0.82 -0.10 4.80 3.08 -1.22 -1.85 114.38 120.13 2b35 h ARG 77 Ca 0.09 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2b35 h ARG 77 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2b35 h ARG 77 CO -0.07 0.58 0.07 0.28 -1.07 0.00 0.00 179.97 179.76 2b35 h VAL 78 N 0.82 1.04 0.12 2.04 2.07 -0.52 -2.72 116.25 119.10 2b35 h VAL 78 Ca 0.22 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.67 2b35 h VAL 78 Cb -0.04 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2b35 h VAL 78 CO -0.04 0.04 -0.34 0.74 0.02 0.00 0.00 177.57 177.99 2b35 h THR 79 N 0.13 0.29 -1.29 2.57 2.02 -0.61 -1.36 112.91 114.65 2b35 h THR 79 Ca 0.04 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.60 2b35 h THR 79 Cb 0.00 0.29 -0.08 0.00 -1.74 0.00 0.00 68.15 66.62 2b35 h THR 79 CO -0.01 0.00 0.89 -0.08 0.37 0.00 0.00 175.52 176.69 2b35 h GLU 80 N -0.57 0.12 0.17 6.66 4.22 -1.29 0.30 114.58 124.20 2b35 h GLU 80 Ca 0.03 -0.01 -0.30 0.00 0.08 0.00 0.00 59.36 59.17 2b35 h GLU 80 Cb 0.59 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.84 2b35 h GLU 80 CO -0.20 0.08 -1.31 0.00 -2.18 0.00 0.00 179.01 175.40 2b35 h ALA 81 N 1.46 0.01 -0.01 2.92 0.00 -0.94 -3.34 119.26 119.36 2b35 h ALA 81 Ca 0.69 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2b35 h ALA 81 Cb 2.36 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.23 2b35 h ALA 81 CO -0.19 0.84 -0.52 0.44 0.00 0.00 0.00 179.25 179.82 2b35 n ILE 82 N -3.63 0.00 0.00 0.00 -5.35 -0.74 -5.01 119.36 104.64 2b35 n ILE 82 Ca -0.12 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2b35 n ILE 82 Cb 1.04 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 40.14 2b35 n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b35 n GLY 83 N 1.37 0.28 3.46 3.28 0.00 0.99 -4.77 105.19 109.80 2b35 n GLY 83 Ca 0.08 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 2b35 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b35 n ALA 84 N 1.35 -1.73 0.00 4.61 0.00 -1.24 -2.46 120.51 121.04 2b35 n ALA 84 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2b35 n ALA 84 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2b35 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b35 n GLY 85 N 1.59 2.37 3.79 0.00 0.00 -1.26 -5.00 105.19 106.68 2b35 n GLY 85 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2b35 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b35 s ASN 86 N -0.08 7.28 0.15 1.61 0.01 -1.03 -5.09 114.94 117.80 2b35 s ASN 86 Ca 0.00 1.78 0.07 0.00 -0.71 0.00 0.00 52.86 54.00 2b35 s ASN 86 Cb 0.00 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 2b35 s ASN 86 CO 0.00 -0.09 -0.15 -0.54 -1.51 0.00 0.00 177.10 174.81 2b35 s LYS 87 N -2.16 1.16 0.63 -0.60 1.02 -1.26 -4.92 119.74 113.61 2b35 s LYS 87 Ca 0.51 -1.37 -0.16 0.00 0.02 0.00 0.00 55.97 54.97 2b35 s LYS 87 Cb -0.17 -1.06 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 2b35 s LYS 87 CO 0.22 0.20 1.10 -0.51 -0.92 0.00 0.00 175.35 175.45 2b35 s LEU 88 N -2.71 3.48 0.00 3.17 1.43 -0.24 -4.70 118.68 119.10 2b35 s LEU 88 Ca 0.14 2.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.32 2b35 s LEU 88 Cb -0.04 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.60 2b35 s LEU 88 CO 0.05 -1.47 0.46 0.47 0.23 0.00 0.00 176.35 176.08 2b35 n ASP 89 N -2.13 0.79 -3.63 2.29 8.00 0.18 -0.90 116.55 121.14 2b35 n ASP 89 Ca 0.10 -0.89 -0.15 0.00 0.71 0.00 0.00 54.79 54.56 2b35 n ASP 89 Cb 0.52 0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 42.21 2b35 n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2b35 s GLY 90 N -1.34 -0.43 -0.04 0.44 0.00 -1.01 -1.71 107.32 103.23 2b35 s GLY 90 Ca 0.05 1.23 -0.00 0.00 0.00 0.00 0.00 44.72 46.00 2b35 s GLY 90 CO 0.23 0.95 0.01 0.14 0.00 0.00 0.00 173.10 174.43 2b35 s VAL 91 N -0.64 0.19 -0.29 1.40 1.01 -0.44 -0.59 120.40 121.03 2b35 s VAL 91 Ca -0.07 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 2b35 s VAL 91 Cb -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.05 2b35 s VAL 91 CO 0.05 0.17 0.05 -0.69 0.00 0.00 0.00 175.10 174.69 2b35 s VAL 92 N 1.33 3.72 -0.41 2.92 1.01 0.17 -0.89 120.40 128.25 2b35 s VAL 92 Ca -0.05 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 2b35 s VAL 92 Cb -0.13 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2b35 s VAL 92 CO -0.02 0.07 0.54 -2.28 0.00 0.00 0.00 175.10 173.41 2b35 s HIS 93 N 1.45 3.13 -0.35 5.22 2.46 0.44 -1.74 115.29 125.90 2b35 s HIS 93 Ca 0.01 -0.11 0.15 0.00 0.47 0.00 0.00 55.06 55.58 2b35 s HIS 93 Cb -0.17 -3.09 0.43 0.00 -0.13 0.00 0.00 32.58 29.62 2b35 s HIS 93 CO 0.01 -0.73 0.94 0.45 -2.47 0.00 0.00 174.74 172.94 2b35 n SER 94 N 5.91 1.95 -4.30 9.88 2.88 -1.26 -1.42 113.62 127.25 2b35 n SER 94 Ca -0.04 -2.94 -0.32 0.00 -1.33 0.00 0.00 58.87 54.24 2b35 n SER 94 Cb 0.48 -0.53 -0.16 0.00 -0.75 0.00 0.00 64.21 63.25 2b35 n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2b35 s ILE 95 N -3.44 2.51 0.02 2.46 1.01 -1.26 -4.39 121.20 118.11 2b35 s ILE 95 Ca 0.33 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 2b35 s ILE 95 Cb 0.43 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2b35 s ILE 95 CO -0.02 0.55 0.33 -0.83 0.00 0.00 0.00 174.94 174.97 2b35 s GLY 96 N 0.20 -0.16 -0.28 6.18 0.00 -1.26 -4.59 107.32 107.41 2b35 s GLY 96 Ca -0.12 0.22 -0.21 0.00 0.00 0.00 0.00 44.72 44.61 2b35 s GLY 96 CO 0.06 -0.00 0.82 -0.12 0.00 0.00 0.00 173.10 173.86 2b35 s PHE 97 N -1.97 -0.76 -0.04 1.90 5.36 -1.26 -4.90 117.98 116.31 2b35 s PHE 97 Ca -0.09 1.70 -0.00 0.00 -0.96 0.00 0.00 56.93 57.58 2b35 s PHE 97 Cb -0.03 0.40 0.03 0.00 -0.34 0.00 0.00 43.02 43.08 2b35 s PHE 97 CO 0.01 -0.37 -0.00 1.41 -1.46 0.00 0.00 175.22 174.80 2b35 s MET 98 N 0.84 0.42 0.69 10.12 -2.45 -1.26 -4.15 119.30 123.51 2b35 s MET 98 Ca -0.03 0.08 -0.16 0.00 -1.25 0.00 0.00 55.69 54.32 2b35 s MET 98 Cb -0.05 -0.65 -0.01 0.00 1.25 0.00 0.00 34.83 35.38 2b35 s MET 98 CO -0.09 -0.18 0.98 -2.30 1.05 0.00 0.00 175.02 174.48 2b35 n PRO 99 N 4.46 0.61 0.20 4.11 -0.02 -1.26 -4.81 135.00 138.28 2b35 n PRO 99 Ca -0.20 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.69 2b35 n PRO 99 Cb 0.50 -2.23 0.68 0.00 -0.02 0.00 0.00 33.50 32.44 2b35 n PRO 99 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2b35 h GLN 100 N -0.07 0.00 0.00 -0.52 1.08 -1.99 -1.19 115.11 112.42 2b35 h GLN 100 Ca -0.48 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 2b35 h GLN 100 Cb 1.34 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.77 2b35 h GLN 100 CO 0.48 0.00 -0.05 0.00 -0.95 0.00 0.00 178.83 178.31 2b35 h THR 101 N 0.00 0.20 0.00 -0.54 1.03 -1.97 -3.20 112.91 108.42 2b35 h THR 101 Ca 0.00 -0.42 -0.01 0.00 -0.01 0.00 0.00 66.41 65.98 2b35 h THR 101 Cb 0.16 1.34 -0.01 0.00 -1.07 0.00 0.00 68.15 68.57 2b35 h THR 101 CO 0.00 0.05 -0.19 0.61 -0.01 0.00 0.00 175.52 175.97 2b35 n GLY 102 N -0.47 3.68 3.33 2.99 0.00 -0.45 -3.55 105.19 110.72 2b35 n GLY 102 Ca -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.18 2b35 n GLY 102 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2b35 s MET 103 N -2.09 0.44 0.00 1.61 -2.45 -1.21 -1.96 119.30 113.64 2b35 s MET 103 Ca 0.24 0.93 0.00 0.00 -1.25 0.00 0.00 55.69 55.62 2b35 s MET 103 Cb 0.22 0.54 0.00 0.00 1.25 0.00 0.00 34.83 36.84 2b35 s MET 103 CO 0.01 -0.33 0.00 0.41 1.05 0.00 0.00 175.02 176.16 2b35 n GLY 104 N 5.35 0.54 0.08 2.11 0.00 0.04 -4.46 105.19 108.85 2b35 n GLY 104 Ca -0.07 -0.95 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 2b35 n GLY 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2b35 h ILE 105 N 0.00 1.07 -2.38 -0.61 6.09 -1.87 -3.36 117.51 116.45 2b35 h ILE 105 Ca 0.00 -2.77 -0.61 0.00 -1.37 0.00 0.00 64.86 60.11 2b35 h ILE 105 Cb 0.00 2.49 0.09 0.00 0.47 0.00 0.00 36.82 39.88 2b35 h ILE 105 CO 0.00 0.61 0.29 -3.20 -3.07 0.00 0.00 178.15 172.78 2b35 n ASN 106 N -3.14 1.68 -4.76 2.19 5.15 -1.26 -4.91 115.26 110.21 2b35 n ASN 106 Ca -0.08 1.16 -0.36 0.00 -0.60 0.00 0.00 54.58 54.70 2b35 n ASN 106 Cb 0.95 -1.30 0.02 0.00 -0.53 0.00 0.00 39.78 38.91 2b35 n ASN 106 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2b35 s PRO 107 N -0.95 3.26 0.54 1.20 0.02 -1.26 -4.79 135.00 133.01 2b35 s PRO 107 Ca 0.65 1.83 0.21 0.00 0.02 0.00 0.00 61.00 63.71 2b35 s PRO 107 Cb -0.73 -2.10 1.40 0.00 0.02 0.00 0.00 34.50 33.09 2b35 s PRO 107 CO 0.55 -0.98 2.11 0.35 -0.33 0.00 0.00 177.00 178.71 2b35 h PHE 108 N 1.30 0.00 0.00 6.54 3.57 -1.91 -2.00 116.94 124.43 2b35 h PHE 108 Ca -0.50 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.00 2b35 h PHE 108 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2b35 h PHE 108 CO 0.49 0.00 -0.21 1.19 -2.23 0.00 0.00 178.31 177.55 2b35 n PHE 109 N -4.34 0.01 0.98 0.41 3.72 -1.26 -4.02 117.46 112.96 2b35 n PHE 109 Ca 0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 2b35 n PHE 109 Cb 0.25 -0.40 0.10 0.00 -0.94 0.00 0.00 39.48 38.49 2b35 n PHE 109 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2b35 n ASP 110 N -1.51 2.96 -4.65 4.37 9.92 -0.75 -4.90 116.55 121.99 2b35 n ASP 110 Ca 0.06 -1.98 -0.43 0.00 -0.53 0.00 0.00 54.79 51.92 2b35 n ASP 110 Cb 0.34 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.80 2b35 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2b35 s ALA 111 N -1.97 3.57 0.53 2.24 0.00 -1.23 -4.98 121.76 119.91 2b35 s ALA 111 Ca 0.27 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 2b35 s ALA 111 Cb 0.20 -3.68 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2b35 s ALA 111 CO 0.30 -1.37 1.26 -2.14 0.00 0.00 0.00 175.76 173.81 2b35 s PRO 112 N 3.75 3.29 0.25 0.00 0.02 -1.26 -4.91 135.00 136.14 2b35 s PRO 112 Ca 0.57 2.00 -0.04 0.00 0.02 0.00 0.00 61.00 63.55 2b35 s PRO 112 Cb -0.21 -2.23 0.39 0.00 0.02 0.00 0.00 34.50 32.48 2b35 s PRO 112 CO 0.18 -1.00 1.84 -0.92 -0.33 0.00 0.00 177.00 176.77 2b35 h TYR 113 N 1.51 0.97 -1.02 6.54 3.20 -1.98 -1.75 116.97 124.44 2b35 h TYR 113 Ca -0.50 0.03 0.25 0.00 3.14 0.00 0.00 58.73 61.65 2b35 h TYR 113 Cb 1.28 -0.31 -0.08 0.00 1.54 0.00 0.00 36.73 39.16 2b35 h TYR 113 CO 0.48 0.44 0.66 0.00 -1.64 0.00 0.00 178.16 178.11 2b35 h ALA 114 N 1.45 2.28 0.19 1.82 0.00 -1.98 0.67 119.26 123.69 2b35 h ALA 114 Ca 0.40 0.04 -0.33 0.00 0.00 0.00 0.00 54.91 55.03 2b35 h ALA 114 Cb 0.29 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2b35 h ALA 114 CO -0.21 -0.65 -1.56 -0.44 0.00 0.00 0.00 179.25 176.38 2b35 h ASP 115 N 0.37 0.62 -0.17 0.00 3.45 -1.70 -3.03 116.42 115.95 2b35 h ASP 115 Ca 0.56 -0.78 -0.13 0.00 0.43 0.00 0.00 57.03 57.11 2b35 h ASP 115 Cb 1.47 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 2b35 h ASP 115 CO -0.25 1.64 -0.33 0.58 -1.57 0.00 0.00 179.24 179.32 2b35 h VAL 116 N 0.11 1.28 -0.29 -1.35 2.07 -1.16 -1.91 116.25 115.00 2b35 h VAL 116 Ca -0.27 -1.47 -0.06 0.00 0.82 0.00 0.00 66.70 65.72 2b35 h VAL 116 Cb 2.09 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 2b35 h VAL 116 CO 0.21 0.47 -0.09 -1.28 0.02 0.00 0.00 177.57 176.90 2b35 h SER 117 N 0.57 0.46 -0.06 0.57 0.87 0.25 -1.12 113.55 115.09 2b35 h SER 117 Ca 0.06 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 2b35 h SER 117 Cb 0.84 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2b35 h SER 117 CO 0.07 0.60 -0.24 0.50 -0.53 0.00 0.00 176.83 177.22 2b35 h LYS 118 N 0.45 0.27 -0.50 2.24 3.64 -1.38 -1.36 116.57 119.93 2b35 h LYS 118 Ca 0.09 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2b35 h LYS 118 Cb 0.44 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2b35 h LYS 118 CO 0.02 0.85 0.25 0.78 -2.27 0.00 0.00 179.45 179.08 2b35 h GLY 119 N -0.25 0.70 1.69 5.01 0.00 -1.28 -1.74 103.07 107.19 2b35 h GLY 119 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2b35 h GLY 119 CO 0.05 0.10 -0.20 -2.22 0.00 0.00 0.00 176.54 174.27 2b35 h ILE 120 N 0.48 1.24 -0.05 2.60 2.04 -1.24 0.41 117.51 122.98 2b35 h ILE 120 Ca 0.22 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 65.00 2b35 h ILE 120 Cb 0.14 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2b35 h ILE 120 CO -0.16 0.34 -0.06 -0.74 0.00 0.00 0.00 178.15 177.53 2b35 h HIS 121 N 0.34 -0.15 0.17 1.37 2.76 -0.96 0.11 115.15 118.78 2b35 h HIS 121 Ca 0.06 0.01 -0.31 0.00 -2.20 0.00 0.00 60.37 57.93 2b35 h HIS 121 Cb 0.55 0.08 0.01 0.00 1.55 0.00 0.00 27.41 29.60 2b35 h HIS 121 CO 0.01 -0.10 -1.44 0.82 -1.30 0.00 0.00 177.93 175.93 2b35 h ILE 122 N -0.09 1.29 0.09 6.26 2.04 -1.15 -2.28 117.51 123.67 2b35 h ILE 122 Ca 0.04 -2.84 -0.30 0.00 1.00 0.00 0.00 64.86 62.77 2b35 h ILE 122 Cb 0.15 2.91 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 2b35 h ILE 122 CO -0.11 0.85 -1.53 0.28 0.00 0.00 0.00 178.15 177.65 2b35 h SER 123 N 0.10 0.30 0.00 1.72 0.02 -0.27 -3.40 113.55 112.01 2b35 h SER 123 Ca -0.22 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 2b35 h SER 123 Cb 2.05 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.49 2b35 h SER 123 CO 0.21 1.37 -0.28 0.00 -1.14 0.00 0.00 176.83 176.99 2b35 n ALA 124 N -2.64 1.66 -0.08 3.77 0.00 0.30 -4.74 120.51 118.78 2b35 n ALA 124 Ca -0.16 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.03 2b35 n ALA 124 Cb 1.03 0.07 0.37 0.00 0.00 0.00 0.00 19.45 20.92 2b35 n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2b35 h TYR 125 N -0.28 0.66 0.00 0.00 5.03 -1.38 -1.57 116.97 119.44 2b35 h TYR 125 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2b35 h TYR 125 Cb 0.28 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.34 2b35 h TYR 125 CO -0.12 0.41 0.00 0.66 -1.32 0.00 0.00 178.16 177.79 2b35 h SER 126 N 0.71 0.00 -0.35 -2.11 4.64 -1.66 -1.37 113.55 113.41 2b35 h SER 126 Ca 0.21 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.43 2b35 h SER 126 Cb -0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2b35 h SER 126 CO -0.05 0.00 -0.13 0.22 -0.87 0.00 0.00 176.83 176.00 2b35 h TYR 127 N 0.00 0.88 0.06 4.77 3.20 -1.57 -0.80 116.97 123.51 2b35 h TYR 127 Ca 0.00 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 2b35 h TYR 127 Cb 0.10 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.15 2b35 h TYR 127 CO 0.00 0.88 -0.03 0.00 -1.64 0.00 0.00 178.16 177.37 2b35 h ALA 128 N 1.13 -0.08 0.00 1.82 0.00 -1.40 -2.71 119.26 118.03 2b35 h ALA 128 Ca 0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2b35 h ALA 128 Cb 0.62 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2b35 h ALA 128 CO 0.04 -0.24 -0.21 0.66 0.00 0.00 0.00 179.25 179.50 2b35 h SER 129 N -0.70 0.00 -0.31 0.00 4.64 -1.44 0.39 113.55 116.13 2b35 h SER 129 Ca -0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 2b35 h SER 129 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2b35 h SER 129 CO 0.01 0.21 -0.42 0.24 -0.87 0.00 0.00 176.83 176.00 2b35 h MET 130 N 0.00 0.83 -0.55 4.77 2.07 -1.22 -1.65 114.93 119.17 2b35 h MET 130 Ca -0.00 -0.48 0.00 0.00 -2.07 0.00 0.00 59.70 57.15 2b35 h MET 130 Cb 0.42 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.16 2b35 h MET 130 CO 0.03 1.12 0.35 0.00 1.07 0.00 0.00 176.91 179.47 2b35 h ALA 131 N 0.70 0.70 -0.37 6.32 0.00 -1.13 -1.82 119.26 123.66 2b35 h ALA 131 Ca 0.03 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2b35 h ALA 131 Cb 1.02 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2b35 h ALA 131 CO 0.10 0.16 0.06 -0.22 0.00 0.00 0.00 179.25 179.34 2b35 h LYS 132 N 0.74 0.17 -0.20 0.00 3.64 -0.19 0.43 116.57 121.17 2b35 h LYS 132 Ca 0.20 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2b35 h LYS 132 Cb -0.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2b35 h LYS 132 CO -0.04 0.11 0.09 0.00 -2.27 0.00 0.00 179.45 177.34 2b35 h ALA 133 N 1.29 0.26 0.00 5.00 0.00 -1.23 -3.35 119.26 121.22 2b35 h ALA 133 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2b35 h ALA 133 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2b35 h ALA 133 CO -0.24 -0.17 -1.24 1.28 0.00 0.00 0.00 179.25 178.87 2b35 n LEU 134 N -4.85 0.67 -0.27 0.00 4.77 -0.69 -4.23 117.00 112.39 2b35 n LEU 134 Ca -0.04 -0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 55.64 2b35 n LEU 134 Cb 0.11 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2b35 n LEU 134 CO 0.35 0.15 1.16 0.25 -1.33 0.00 0.00 177.39 177.97 2b35 h LEU 135 N 0.00 0.75 -2.34 2.23 5.85 -1.05 -2.03 115.31 118.73 2b35 h LEU 135 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2b35 h LEU 135 Cb 0.66 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2b35 h LEU 135 CO 0.00 0.51 0.01 -0.65 -0.34 0.00 0.00 178.44 177.96 2b35 h PRO 136 N 0.89 0.00 -0.83 5.25 0.11 -1.79 -2.74 132.00 132.89 2b35 h PRO 136 Ca 0.31 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.85 2b35 h PRO 136 Cb 0.08 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.86 2b35 h PRO 136 CO -0.13 0.00 0.11 0.44 -0.21 0.00 0.00 178.00 178.20 2b35 n ILE 137 N -4.04 3.08 -4.34 4.15 -5.35 -0.78 -4.98 119.36 107.10 2b35 n ILE 137 Ca -0.03 -3.37 -0.25 0.00 -0.27 0.00 0.00 62.75 58.83 2b35 n ILE 137 Cb 0.09 -1.04 -0.12 0.00 -1.74 0.00 0.00 39.64 36.83 2b35 n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2b35 s MET 138 N -3.66 1.29 0.39 6.28 -1.94 -1.04 -1.08 119.30 119.53 2b35 s MET 138 Ca 0.57 -1.32 -0.14 0.00 -1.71 0.00 0.00 55.69 53.09 2b35 s MET 138 Cb 0.46 -1.57 -0.08 0.00 2.01 0.00 0.00 34.83 35.65 2b35 s MET 138 CO 0.02 0.35 0.80 -0.80 -0.01 0.00 0.00 175.02 175.38 2b35 s ASN 139 N -2.24 6.69 0.54 3.03 -0.87 -0.07 -4.89 114.94 117.13 2b35 s ASN 139 Ca 0.13 1.32 -0.21 0.00 -1.57 0.00 0.00 52.86 52.52 2b35 s ASN 139 Cb -0.09 -2.39 -0.06 0.00 -0.02 0.00 0.00 41.25 38.69 2b35 s ASN 139 CO 0.06 -0.33 1.21 -2.65 -2.57 0.00 0.00 177.10 172.82 2b35 n PRO 140 N -0.85 1.45 -0.32 -0.60 -0.02 -1.26 -2.28 135.00 131.13 2b35 n PRO 140 Ca 0.04 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2b35 n PRO 140 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2b35 n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b35 n GLY 141 N 0.95 1.50 3.71 -1.23 0.00 0.58 -4.99 105.19 105.70 2b35 n GLY 141 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2b35 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b35 s GLY 142 N -1.86 1.61 -0.10 -0.02 0.00 -0.96 -4.84 107.32 101.15 2b35 s GLY 142 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.88 2b35 s GLY 142 CO 0.00 -0.05 0.22 -0.45 0.00 0.00 0.00 173.10 172.82 2b35 s SER 143 N -4.02 0.10 -0.22 1.64 0.15 -0.69 -0.50 113.70 110.15 2b35 s SER 143 Ca 0.69 0.48 -0.08 0.00 0.70 0.00 0.00 55.95 57.74 2b35 s SER 143 Cb -0.11 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2b35 s SER 143 CO 0.55 -0.20 0.08 -0.63 1.20 0.00 0.00 173.24 174.25 2b35 s ILE 144 N 1.75 4.67 -0.06 6.45 1.01 0.14 -1.33 121.20 133.83 2b35 s ILE 144 Ca -0.04 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.57 2b35 s ILE 144 Cb -0.11 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.21 2b35 s ILE 144 CO -0.08 0.38 -0.13 0.54 0.00 0.00 0.00 174.94 175.66 2b35 s VAL 145 N 1.08 1.15 0.28 2.92 0.11 -0.07 -1.09 120.40 124.79 2b35 s VAL 145 Ca 0.05 -0.50 0.10 0.00 -2.93 0.00 0.00 61.98 58.70 2b35 s VAL 145 Cb -0.14 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 2b35 s VAL 145 CO 0.03 0.36 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.27 2b35 s GLY 146 N 0.56 1.78 -0.06 6.54 0.00 -0.96 -0.42 107.32 114.75 2b35 s GLY 146 Ca -0.13 -1.76 -0.12 0.00 0.00 0.00 0.00 44.72 42.71 2b35 s GLY 146 CO 0.03 -1.82 0.29 1.06 0.00 0.00 0.00 173.10 172.67 2b35 s MET 147 N -3.64 3.78 0.05 2.90 -1.94 -0.51 -1.36 119.30 118.59 2b35 s MET 147 Ca 0.32 0.17 0.00 0.00 -1.71 0.00 0.00 55.69 54.47 2b35 s MET 147 Cb -0.05 -3.24 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 2b35 s MET 147 CO 0.18 0.67 -0.04 0.34 -0.01 0.00 0.00 175.02 176.16 2b35 s ASP 148 N -0.86 0.62 -0.11 3.03 2.15 -0.09 -4.92 116.67 116.50 2b35 s ASP 148 Ca 0.20 -0.84 -0.02 0.00 0.43 0.00 0.00 52.55 52.31 2b35 s ASP 148 Cb -0.14 0.14 0.04 0.00 -0.30 0.00 0.00 42.92 42.65 2b35 s ASP 148 CO 0.09 -0.46 0.03 0.12 -0.17 0.00 0.00 175.17 174.77 2b35 s PHE 149 N -3.04 0.64 -0.47 -5.34 2.19 -1.26 -1.36 117.98 109.34 2b35 s PHE 149 Ca 0.01 -0.31 -0.44 0.00 0.33 0.00 0.00 56.93 56.52 2b35 s PHE 149 Cb 0.01 -0.81 -0.19 0.00 -1.31 0.00 0.00 43.02 40.73 2b35 s PHE 149 CO -0.06 -0.41 1.86 -3.47 1.83 0.00 0.00 175.22 174.97 2b35 n ASP 150 N 5.16 1.22 -0.91 6.13 2.03 -1.26 -4.82 116.55 124.09 2b35 n ASP 150 Ca -0.07 0.94 0.07 0.00 0.52 0.00 0.00 54.79 56.25 2b35 n ASP 150 Cb 0.49 -0.94 0.22 0.00 -0.72 0.00 0.00 41.12 40.18 2b35 n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2b35 n PRO 151 N 5.73 3.02 0.30 -0.67 -0.04 -1.26 -4.63 135.00 137.44 2b35 n PRO 151 Ca 0.40 -2.41 0.17 0.00 -0.04 0.00 0.00 63.50 61.62 2b35 n PRO 151 Cb -0.01 -1.52 0.98 0.00 -0.04 0.00 0.00 33.50 32.90 2b35 n PRO 151 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2b35 h SER 152 N 2.51 0.00 -4.23 3.54 0.02 -1.95 -3.41 113.55 110.03 2b35 h SER 152 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 2b35 h SER 152 Cb 1.03 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.36 2b35 h SER 152 CO 0.09 0.00 -0.80 -0.13 -1.14 0.00 0.00 176.83 174.85 2b35 s ARG 153 N -4.50 1.02 0.41 3.45 0.52 -1.26 -5.14 118.95 113.44 2b35 s ARG 153 Ca -0.05 -1.12 -0.23 0.00 -0.52 0.00 0.00 55.73 53.81 2b35 s ARG 153 Cb 0.14 -1.13 -0.09 0.00 0.52 0.00 0.00 34.95 34.39 2b35 s ARG 153 CO 0.50 0.25 1.02 0.00 0.02 0.00 0.00 175.30 177.10 2b35 s ALA 154 N -1.38 3.06 0.03 2.13 0.00 -1.26 -5.07 121.76 119.27 2b35 s ALA 154 Ca 0.04 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 2b35 s ALA 154 Cb -0.09 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2b35 s ALA 154 CO 0.04 -0.14 0.23 0.00 0.00 0.00 0.00 175.76 175.89 2b35 s MET 155 N -2.66 0.70 0.80 0.00 0.23 -1.26 -5.14 119.30 111.96 2b35 s MET 155 Ca 0.59 -0.55 -0.14 0.00 -1.03 0.00 0.00 55.69 54.57 2b35 s MET 155 Cb -0.19 0.30 0.08 0.00 -1.53 0.00 0.00 34.83 33.49 2b35 s MET 155 CO 0.24 -0.21 1.21 -1.25 -2.03 0.00 0.00 175.02 172.98 2b35 s PRO 156 N -2.38 1.70 0.00 3.16 0.04 -1.26 -3.71 135.00 132.56 2b35 s PRO 156 Ca -0.06 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2b35 s PRO 156 Cb -0.02 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2b35 s PRO 156 CO -0.03 -2.17 0.00 0.00 0.04 0.00 0.00 177.00 174.85 2b35 n ALA 157 N -3.21 0.00 -0.21 8.56 0.00 -1.26 -4.55 120.51 119.84 2b35 n ALA 157 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2b35 n ALA 157 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.99 2b35 n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2b35 h TYR 158 N 0.00 1.16 0.00 0.00 3.20 -1.85 0.15 116.97 119.63 2b35 h TYR 158 Ca 0.00 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.68 2b35 h TYR 158 Cb 0.00 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.96 2b35 h TYR 158 CO 0.00 1.01 0.00 0.09 -1.64 0.00 0.00 178.16 177.62 2b35 n ASN 159 N -4.18 0.00 0.14 -2.11 3.02 -1.25 -0.97 115.26 109.91 2b35 n ASN 159 Ca 0.03 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 2b35 n ASN 159 Cb 0.34 0.00 0.51 0.00 -0.61 0.00 0.00 39.78 40.02 2b35 n ASN 159 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2b35 n TRP 160 N 14.00 0.85 -0.03 3.10 7.02 -0.83 -1.65 117.44 139.90 2b35 n TRP 160 Ca 0.00 0.34 -0.08 0.00 -1.02 0.00 0.00 57.50 56.75 2b35 n TRP 160 Cb 0.00 -1.05 0.10 0.00 -2.42 0.00 0.00 31.31 27.94 2b35 n TRP 160 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 2b35 h MET 161 N 0.00 0.63 -0.71 -0.99 4.05 -1.16 -0.25 114.93 116.50 2b35 h MET 161 Ca 0.00 -0.30 0.08 0.00 -0.28 0.00 0.00 59.70 59.20 2b35 h MET 161 Cb 0.35 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.08 2b35 h MET 161 CO 0.00 0.90 0.36 1.15 0.23 0.00 0.00 176.91 179.55 2b35 h THR 162 N 0.53 0.88 -0.62 -0.77 2.02 -1.36 0.20 112.91 113.78 2b35 h THR 162 Ca 0.05 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 2b35 h THR 162 Cb 0.87 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2b35 h THR 162 CO 0.07 0.11 0.03 0.58 0.37 0.00 0.00 175.52 176.69 2b35 h VAL 163 N 0.63 1.26 0.03 3.16 2.07 -1.29 -1.21 116.25 120.90 2b35 h VAL 163 Ca 0.34 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2b35 h VAL 163 Cb 0.32 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2b35 h VAL 163 CO -0.25 0.41 -0.29 0.00 0.02 0.00 0.00 177.57 177.46 2b35 h ALA 164 N 1.03 -0.44 -0.54 1.67 0.00 -0.19 -2.50 119.26 118.29 2b35 h ALA 164 Ca 0.18 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2b35 h ALA 164 Cb 0.52 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2b35 h ALA 164 CO 0.03 -0.81 0.36 0.87 0.00 0.00 0.00 179.25 179.70 2b35 h LYS 165 N -0.46 0.61 -0.72 0.00 1.79 -0.24 0.06 116.57 117.62 2b35 h LYS 165 Ca 0.05 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2b35 h LYS 165 Cb 0.53 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 2b35 h LYS 165 CO -0.23 0.41 0.27 0.77 -1.08 0.00 0.00 179.45 179.58 2b35 h SER 166 N 0.63 1.01 -0.36 0.86 0.02 -1.12 -1.52 113.55 113.07 2b35 h SER 166 Ca 0.22 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2b35 h SER 166 Cb 0.08 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2b35 h SER 166 CO -0.06 0.92 0.01 0.00 -1.14 0.00 0.00 176.83 176.56 2b35 h ALA 167 N 1.13 0.48 -0.45 3.77 0.00 -0.73 -2.70 119.26 120.76 2b35 h ALA 167 Ca 0.24 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2b35 h ALA 167 Cb 0.24 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 2b35 h ALA 167 CO -0.02 0.24 -0.04 1.25 0.00 0.00 0.00 179.25 180.68 2b35 h LEU 168 N 0.44 -0.27 -1.43 0.00 6.46 -0.85 0.13 115.31 119.79 2b35 h LEU 168 Ca 0.10 0.12 0.06 0.00 -0.12 0.00 0.00 57.88 58.04 2b35 h LEU 168 Cb 0.45 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 2b35 h LEU 168 CO 0.02 -0.09 0.44 -0.33 -0.62 0.00 0.00 178.44 177.86 2b35 h GLU 169 N 0.07 0.69 -0.14 1.25 5.08 -1.17 0.15 114.58 120.51 2b35 h GLU 169 Ca 0.22 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 2b35 h GLU 169 Cb 0.34 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2b35 h GLU 169 CO -0.41 0.46 -0.59 1.03 -1.00 0.00 0.00 179.01 178.50 2b35 h SER 170 N 0.71 0.76 -0.32 1.42 0.87 -0.81 -3.19 113.55 113.00 2b35 h SER 170 Ca 0.29 -0.62 0.03 0.00 -1.23 0.00 0.00 61.79 60.25 2b35 h SER 170 Cb 0.22 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2b35 h SER 170 CO -0.09 1.26 0.14 0.58 -0.53 0.00 0.00 176.83 178.19 2b35 h VAL 171 N 0.32 0.96 -0.90 2.23 2.07 -0.26 -2.98 116.25 117.69 2b35 h VAL 171 Ca -0.03 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.58 2b35 h VAL 171 Cb 1.22 0.63 -0.11 0.00 -1.52 0.00 0.00 31.29 31.51 2b35 h VAL 171 CO 0.12 0.06 0.44 -1.13 0.02 0.00 0.00 177.57 177.08 2b35 h ASN 172 N 0.30 0.45 -0.22 0.57 -1.24 -0.78 0.42 115.58 115.07 2b35 h ASN 172 Ca 0.14 0.13 -0.11 0.00 0.71 0.00 0.00 56.30 57.17 2b35 h ASN 172 Cb 0.07 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 2b35 h ASN 172 CO -0.11 0.09 -0.23 0.03 -1.29 0.00 0.00 177.43 175.92 2b35 h ARG 173 N 0.50 0.69 0.00 6.67 3.08 -1.52 -1.66 114.38 122.15 2b35 h ARG 173 Ca 0.54 -0.27 -0.23 0.00 0.07 0.00 0.00 59.98 60.09 2b35 h ARG 173 Cb 0.95 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2b35 h ARG 173 CO -0.47 0.86 -0.95 0.74 -1.07 0.00 0.00 179.97 179.08 2b35 h PHE 174 N 0.60 0.60 -0.53 3.04 -1.00 -1.09 -3.11 116.94 115.45 2b35 h PHE 174 Ca 0.09 -0.33 -0.02 0.00 2.81 0.00 0.00 57.97 60.52 2b35 h PHE 174 Cb 0.71 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.18 2b35 h PHE 174 CO 0.03 1.15 0.25 0.28 -1.61 0.00 0.00 178.31 178.41 2b35 h VAL 175 N 0.22 1.18 -0.11 -0.55 2.07 -0.20 -2.95 116.25 115.90 2b35 h VAL 175 Ca -0.08 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 2b35 h VAL 175 Cb 1.59 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2b35 h VAL 175 CO 0.16 0.21 -0.56 0.00 0.02 0.00 0.00 177.57 177.40 2b35 h ALA 176 N 1.54 0.83 -0.44 1.67 0.00 -1.33 0.29 119.26 121.82 2b35 h ALA 176 Ca 0.18 -0.52 0.09 0.00 0.00 0.00 0.00 54.91 54.67 2b35 h ALA 176 Cb 0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 2b35 h ALA 176 CO -0.02 0.70 -0.27 0.00 0.00 0.00 0.00 179.25 179.65 2b35 h ARG 177 N 0.26 -0.18 -0.10 0.00 3.08 -1.46 -0.94 114.38 115.04 2b35 h ARG 177 Ca 0.00 0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 2b35 h ARG 177 Cb 1.06 0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.16 2b35 h ARG 177 CO 0.09 -0.12 -0.51 0.93 -1.07 0.00 0.00 179.97 179.30 2b35 h GLU 178 N -0.18 0.52 -0.60 0.04 4.39 -1.31 -3.25 114.58 114.18 2b35 h GLU 178 Ca 0.20 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2b35 h GLU 178 Cb 0.51 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2b35 h GLU 178 CO -0.55 1.06 0.32 0.00 -1.16 0.00 0.00 179.01 178.68 2b35 h ALA 179 N 0.46 1.44 0.00 3.43 0.00 -0.34 -2.52 119.26 121.73 2b35 h ALA 179 Ca -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2b35 h ALA 179 Cb 1.16 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2b35 h ALA 179 CO 0.11 0.46 -0.05 0.78 0.00 0.00 0.00 179.25 180.55 2b35 h GLY 180 N 0.90 0.00 1.96 0.00 0.00 -1.15 0.28 103.07 105.06 2b35 h GLY 180 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2b35 h GLY 180 CO -0.03 0.00 0.02 0.50 0.00 0.00 0.00 176.54 177.02 2b35 h LYS 181 N 0.00 0.00 -0.24 4.80 1.57 -1.56 -2.00 116.57 119.14 2b35 h LYS 181 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b35 h LYS 181 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2b35 h LYS 181 CO 0.01 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 2b35 n TYR 182 N -2.89 0.31 -1.96 -1.35 4.02 0.95 -4.96 117.16 111.28 2b35 n TYR 182 Ca -0.03 -0.22 -0.14 0.00 -0.01 0.00 0.00 57.90 57.50 2b35 n TYR 182 Cb 0.08 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.37 2b35 n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2b35 n GLY 183 N 0.97 0.39 3.54 2.72 0.00 -0.75 -4.04 105.19 108.02 2b35 n GLY 183 Ca 0.13 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2b35 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b35 s VAL 184 N -2.65 3.14 0.21 1.61 1.01 -0.99 -0.31 120.40 122.42 2b35 s VAL 184 Ca 0.00 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 60.68 2b35 s VAL 184 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2b35 s VAL 184 CO 0.00 0.11 0.14 -0.13 0.00 0.00 0.00 175.10 175.23 2b35 s ARG 185 N -2.17 2.84 -0.14 2.72 0.52 0.34 -3.27 118.95 119.80 2b35 s ARG 185 Ca 0.20 -1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 54.37 2b35 s ARG 185 Cb -0.11 -2.56 0.07 0.00 0.52 0.00 0.00 34.95 32.87 2b35 s ARG 185 CO 0.12 0.44 0.23 0.45 0.02 0.00 0.00 175.30 176.56 2b35 s SER 186 N -3.44 0.71 0.07 0.23 0.15 -1.25 0.27 113.70 110.44 2b35 s SER 186 Ca 0.31 0.32 -0.06 0.00 0.70 0.00 0.00 55.95 57.23 2b35 s SER 186 Cb -0.09 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 2b35 s SER 186 CO 0.23 -0.26 0.11 0.20 1.20 0.00 0.00 173.24 174.72 2b35 s ASN 187 N 2.36 0.25 -0.04 5.45 0.01 -0.25 0.64 114.94 123.37 2b35 s ASN 187 Ca 0.03 -0.77 0.03 0.00 -0.71 0.00 0.00 52.86 51.44 2b35 s ASN 187 Cb -0.13 0.29 -0.03 0.00 0.41 0.00 0.00 41.25 41.79 2b35 s ASN 187 CO -0.09 -0.68 -0.12 -0.76 -1.51 0.00 0.00 177.10 173.95 2b35 s LEU 188 N -2.88 2.90 -0.40 0.60 1.02 0.14 -2.26 118.68 117.81 2b35 s LEU 188 Ca 0.06 -0.15 -0.14 0.00 0.02 0.00 0.00 54.13 53.91 2b35 s LEU 188 Cb 0.06 -1.62 0.02 0.00 0.02 0.00 0.00 46.19 44.67 2b35 s LEU 188 CO -0.11 0.34 0.28 -0.69 0.02 0.00 0.00 176.35 176.19 2b35 s VAL 189 N -0.79 5.14 -0.64 -1.59 1.01 -0.47 0.06 120.40 123.11 2b35 s VAL 189 Ca 0.13 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 2b35 s VAL 189 Cb -0.11 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.47 2b35 s VAL 189 CO 0.02 -0.26 1.14 0.00 0.00 0.00 0.00 175.10 175.99 2b35 s ALA 190 N 1.66 2.96 0.09 5.51 0.00 -0.42 -0.91 121.76 130.65 2b35 s ALA 190 Ca 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2b35 s ALA 190 Cb -0.19 -4.03 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 2b35 s ALA 190 CO 0.09 -2.84 0.24 0.00 0.00 0.00 0.00 175.76 173.26 2b35 s ALA 191 N 4.90 3.98 1.36 0.00 0.00 -0.47 -1.21 121.76 130.33 2b35 s ALA 191 Ca 0.35 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 2b35 s ALA 191 Cb -0.10 -1.85 0.35 0.00 0.00 0.00 0.00 23.12 21.51 2b35 s ALA 191 CO 0.18 0.75 0.99 0.20 0.00 0.00 0.00 175.76 177.88 2b35 s GLY 192 N -2.65 1.47 -0.03 0.00 0.00 -0.72 -4.72 107.32 100.67 2b35 s GLY 192 Ca 0.36 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 2b35 s GLY 192 CO 0.28 0.10 1.36 2.56 0.00 0.00 0.00 173.10 177.39 2b35 s PRO 193 N -5.21 4.29 -0.03 2.90 0.04 -1.26 -5.01 135.00 130.72 2b35 s PRO 193 Ca 0.70 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.65 2b35 s PRO 193 Cb -0.12 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 2b35 s PRO 193 CO 0.57 -0.57 -0.07 0.42 0.04 0.00 0.00 177.00 177.39 2b35 s ILE 194 N 2.50 3.66 -1.15 0.56 -1.09 -1.26 -4.34 121.20 120.08 2b35 s ILE 194 Ca 0.62 -0.63 -0.21 0.00 -2.23 0.00 0.00 60.65 58.21 2b35 s ILE 194 Cb -0.29 -2.54 0.06 0.00 -1.58 0.00 0.00 42.46 38.10 2b35 s ILE 194 CO 0.25 0.50 1.60 -0.13 -1.23 0.00 0.00 174.94 175.93 2b35 s ARG 195 N -1.10 3.74 0.23 2.79 1.81 0.83 -5.02 118.95 122.23 2b35 s ARG 195 Ca 0.15 -1.52 0.24 0.00 -1.72 0.00 0.00 55.73 52.88 2b35 s ARG 195 Cb -0.11 -5.44 0.33 0.00 -0.45 0.00 0.00 34.95 29.28 2b35 s ARG 195 CO 0.04 -2.28 1.39 1.15 -0.68 0.00 0.00 175.30 174.93 2b35 h THR 196 N 6.23 0.00 0.00 0.02 2.02 -1.88 -3.48 112.91 115.82 2b35 h THR 196 Ca 0.31 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2b35 h THR 196 Cb 0.94 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 2b35 h THR 196 CO 1.44 0.00 0.00 1.21 0.37 0.00 0.00 175.52 178.54 2b35 n GLU 219 N -2.53 0.00 -0.19 6.66 2.13 -1.26 -5.03 120.64 120.42 2b35 n GLU 219 Ca 0.03 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.85 2b35 n GLU 219 Cb 0.49 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.30 2b35 n GLU 219 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2b35 h GLU 220 N 0.00 0.32 -0.85 5.31 4.81 -2.01 -1.31 114.58 120.85 2b35 h GLU 220 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2b35 h GLU 220 Cb 0.00 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 2b35 h GLU 220 CO 0.00 0.21 0.55 0.78 -0.73 0.00 0.00 179.01 179.83 2b35 h GLY 221 N 0.33 1.20 0.79 1.92 0.00 -2.03 -2.74 103.07 102.55 2b35 h GLY 221 Ca 0.30 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.32 2b35 h GLY 221 CO -0.33 0.25 0.62 -0.25 0.00 0.00 0.00 176.54 176.83 2b35 h TRP 222 N 0.91 1.13 0.25 5.60 2.91 -1.67 -0.60 115.95 124.48 2b35 h TRP 222 Ca 0.37 0.03 -0.34 0.00 1.13 0.00 0.00 58.89 60.08 2b35 h TRP 222 Cb 0.28 -0.37 0.04 0.00 -0.51 0.00 0.00 29.16 28.59 2b35 h TRP 222 CO -0.00 0.59 -1.50 0.22 -1.03 0.00 0.00 178.44 176.71 2b35 h ASP 223 N 1.11 0.84 -0.49 2.65 3.58 -1.31 -1.53 116.42 121.26 2b35 h ASP 223 Ca 0.41 -0.91 0.03 0.00 0.42 0.00 0.00 57.03 56.98 2b35 h ASP 223 Cb 0.18 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2b35 h ASP 223 CO -0.16 1.72 0.29 1.56 -2.88 0.00 0.00 179.24 179.77 2b35 h GLN 224 N 0.15 0.56 -0.17 0.28 4.20 -1.35 -3.17 115.11 115.60 2b35 h GLN 224 Ca -0.26 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.27 2b35 h GLN 224 Cb 2.17 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.83 2b35 h GLN 224 CO 0.27 0.37 -0.45 -0.09 -0.67 0.00 0.00 178.83 178.26 2b35 h ARG 225 N 0.57 0.61 -6.10 1.46 2.43 -1.13 -3.43 114.38 108.80 2b35 h ARG 225 Ca 0.20 -0.43 -0.68 0.00 -0.81 0.00 0.00 59.98 58.27 2b35 h ARG 225 Cb 0.03 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2b35 h ARG 225 CO -0.10 1.05 1.21 0.00 -1.51 0.00 0.00 179.97 180.62 2b35 n ALA 226 N -2.53 0.71 0.06 2.80 0.00 -0.58 -4.63 120.51 116.34 2b35 n ALA 226 Ca -0.06 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.59 2b35 n ALA 226 Cb 0.57 -2.46 0.52 0.00 0.00 0.00 0.00 19.45 18.07 2b35 n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2b35 h PRO 227 N 10.32 0.33 -0.12 0.00 0.11 -1.79 -2.47 132.00 138.38 2b35 h PRO 227 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2b35 h PRO 227 Cb 1.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2b35 h PRO 227 CO 0.99 0.22 0.00 0.44 -0.21 0.00 0.00 178.00 179.43 2b35 n ILE 228 N -4.49 0.13 0.00 4.15 -5.35 -1.21 -5.08 119.36 107.51 2b35 n ILE 228 Ca 0.03 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 2b35 n ILE 228 Cb 0.15 1.35 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 2b35 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b35 n GLY 229 N 1.34 -1.09 2.80 3.28 0.00 -0.93 -5.04 105.19 105.55 2b35 n GLY 229 Ca 0.15 -1.60 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 2b35 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2b35 s TRP 230 N -2.79 -0.13 -0.36 1.61 -0.11 -1.26 -4.50 118.94 111.40 2b35 s TRP 230 Ca 0.00 0.53 -0.10 0.00 1.22 0.00 0.00 56.10 57.76 2b35 s TRP 230 Cb 0.00 -0.31 0.03 0.00 -1.50 0.00 0.00 33.47 31.69 2b35 s TRP 230 CO 0.00 -0.26 0.18 1.21 -4.62 0.00 0.00 176.95 173.46 2b35 s ASN 231 N 2.27 5.62 0.45 5.86 3.84 -1.26 -4.68 114.94 127.03 2b35 s ASN 231 Ca 0.04 -0.98 0.25 0.00 0.21 0.00 0.00 52.86 52.37 2b35 s ASN 231 Cb -0.12 -1.99 0.92 0.00 -0.55 0.00 0.00 41.25 39.51 2b35 s ASN 231 CO -0.05 -0.35 1.82 0.00 -2.79 0.00 0.00 177.10 175.73 2b35 h MET 232 N 8.38 0.00 -0.43 0.43 -0.00 -1.98 -2.95 114.93 118.38 2b35 h MET 232 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.44 2b35 h MET 232 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 2b35 h MET 232 CO 0.65 0.20 0.00 1.63 -0.00 0.00 0.00 176.91 179.39 2b35 n LYS 233 N -3.33 1.24 -3.70 -0.10 5.02 -1.26 -0.12 118.16 115.91 2b35 n LYS 233 Ca 0.00 -0.27 -0.22 0.00 -2.02 0.00 0.00 58.31 55.81 2b35 n LYS 233 Cb 0.43 -1.26 -0.18 0.00 -0.02 0.00 0.00 35.03 34.00 2b35 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2b35 s ASP 234 N -0.62 1.57 0.00 4.39 2.15 -1.12 -4.96 116.67 118.08 2b35 s ASP 234 Ca 0.05 -0.13 0.23 0.00 0.43 0.00 0.00 52.55 53.13 2b35 s ASP 234 Cb 0.03 -0.29 0.01 0.00 -0.30 0.00 0.00 42.92 42.37 2b35 s ASP 234 CO 0.02 -0.25 1.10 0.00 -0.17 0.00 0.00 175.17 175.88 2b35 n ALA 235 N 5.23 3.43 -0.09 3.66 0.00 -1.26 -4.52 120.51 126.95 2b35 n ALA 235 Ca -0.05 -0.65 -0.11 0.00 0.00 0.00 0.00 53.44 52.63 2b35 n ALA 235 Cb 0.50 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 2b35 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2b35 h THR 236 N 2.71 1.25 -0.77 0.00 2.02 -1.95 -0.34 112.91 115.82 2b35 h THR 236 Ca 0.00 -0.90 0.21 0.00 0.77 0.00 0.00 66.41 66.49 2b35 h THR 236 Cb 0.79 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 2b35 h THR 236 CO 0.00 0.29 0.54 -0.65 0.37 0.00 0.00 175.52 176.07 2b35 h PRO 237 N 0.28 0.10 0.09 6.66 0.11 -1.99 0.17 132.00 137.42 2b35 h PRO 237 Ca 0.08 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.93 2b35 h PRO 237 Cb 0.41 -0.02 0.03 0.00 0.11 0.00 0.00 31.00 31.52 2b35 h PRO 237 CO 0.01 0.07 -1.07 0.28 -0.21 0.00 0.00 178.00 177.09 2b35 h VAL 238 N 0.11 1.33 -0.99 3.15 2.07 -1.68 -3.05 116.25 117.19 2b35 h VAL 238 Ca 0.38 -2.38 0.03 0.00 0.82 0.00 0.00 66.70 65.54 2b35 h VAL 238 Cb 1.33 2.71 -0.05 0.00 -1.52 0.00 0.00 31.29 33.76 2b35 h VAL 238 CO -0.05 0.72 0.65 0.00 0.02 0.00 0.00 177.57 178.91 2b35 h ALA 239 N 0.27 1.29 -0.70 1.67 0.00 0.40 -2.17 119.26 120.03 2b35 h ALA 239 Ca -0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2b35 h ALA 239 Cb 1.76 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2b35 h ALA 239 CO 0.21 0.57 0.40 0.87 0.00 0.00 0.00 179.25 181.30 2b35 h LYS 240 N 1.28 0.96 -0.21 0.00 1.57 -0.78 -1.98 116.57 117.41 2b35 h LYS 240 Ca 0.38 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.96 2b35 h LYS 240 Cb -0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2b35 h LYS 240 CO -0.11 0.71 -0.30 1.15 -0.57 0.00 0.00 179.45 180.33 2b35 h THR 241 N 0.96 1.27 -0.31 -0.16 2.02 -1.34 -0.40 112.91 114.96 2b35 h THR 241 Ca 0.25 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 2b35 h THR 241 Cb 0.01 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2b35 h THR 241 CO -0.04 0.41 0.12 0.58 0.37 0.00 0.00 175.52 176.97 2b35 h VAL 242 N 0.37 1.18 -0.53 3.16 2.07 -1.12 -2.81 116.25 118.57 2b35 h VAL 242 Ca 0.05 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 2b35 h VAL 242 Cb 0.71 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2b35 h VAL 242 CO 0.05 0.19 0.04 0.00 0.02 0.00 0.00 177.57 177.88 2b35 h ALA 244 N 1.22 1.33 0.00 0.00 0.00 -1.04 -0.64 119.26 120.13 2b35 h ALA 244 Ca 0.16 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2b35 h ALA 244 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2b35 h ALA 244 CO 0.02 -0.05 -0.46 -0.07 0.00 0.00 0.00 179.25 178.69 2b35 h LEU 245 N 0.68 0.00 0.00 0.00 -0.00 -1.03 -3.11 115.31 111.85 2b35 h LEU 245 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.35 2b35 h LEU 245 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 2b35 h LEU 245 CO -0.35 0.46 -0.19 -0.07 -0.00 0.00 0.00 178.44 178.29 2b35 h LEU 246 N 0.00 0.00 0.00 1.67 3.38 -0.31 -3.45 115.31 116.60 2b35 h LEU 246 Ca -0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2b35 h LEU 246 Cb 0.96 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.74 2b35 h LEU 246 CO 0.06 0.00 0.06 -1.54 0.09 0.00 0.00 178.44 177.11 2b35 n SER 247 N -2.97 -0.07 -1.60 -0.43 3.41 -0.36 -4.75 113.62 106.84 2b35 n SER 247 Ca 0.03 -1.03 0.08 0.00 -0.26 0.00 0.00 58.87 57.68 2b35 n SER 247 Cb 0.53 -0.15 0.36 0.00 -0.26 0.00 0.00 64.21 64.69 2b35 n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2b35 n ASP 248 N -3.14 5.19 -0.85 4.04 8.00 -1.26 -4.41 116.55 124.12 2b35 n ASP 248 Ca 0.02 -2.95 0.11 0.00 0.71 0.00 0.00 54.79 52.69 2b35 n ASP 248 Cb 0.08 -0.64 0.08 0.00 -0.02 0.00 0.00 41.12 40.62 2b35 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2b35 n TRP 249 N 0.31 0.00 -3.14 1.24 7.02 -1.26 -4.34 117.44 117.26 2b35 n TRP 249 Ca 0.26 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.51 2b35 n TRP 249 Cb 1.11 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.95 2b35 n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2b35 n LEU 250 N 1.11 2.07 -0.11 -0.99 4.77 -1.26 -4.97 117.00 117.60 2b35 n LEU 250 Ca 0.13 -5.19 0.13 0.00 -0.03 0.00 0.00 56.01 51.05 2b35 n LEU 250 Cb 0.55 0.20 0.47 0.00 -2.33 0.00 0.00 43.42 42.31 2b35 n LEU 250 CO 0.16 2.25 0.73 -0.81 -1.33 0.00 0.00 177.39 178.39 2b35 n PRO 251 N 0.38 0.51 -0.46 3.23 -0.04 -1.26 -3.59 135.00 133.77 2b35 n PRO 251 Ca 0.27 -0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2b35 n PRO 251 Cb 0.54 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.76 2b35 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b35 n ALA 252 N -1.04 2.98 -3.59 0.55 0.00 -1.26 -4.98 120.51 113.16 2b35 n ALA 252 Ca 0.11 -2.09 -0.29 0.00 0.00 0.00 0.00 53.44 51.17 2b35 n ALA 252 Cb 0.32 -0.73 -0.17 0.00 0.00 0.00 0.00 19.45 18.87 2b35 n ALA 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2b35 s THR 253 N -2.53 1.63 0.04 0.00 -1.32 -1.24 -5.11 115.64 107.11 2b35 s THR 253 Ca 0.41 -0.73 -0.28 0.00 -1.21 0.00 0.00 61.69 59.89 2b35 s THR 253 Cb 0.32 -1.47 0.07 0.00 -1.51 0.00 0.00 72.50 69.91 2b35 s THR 253 CO 0.11 0.47 0.66 0.28 -2.21 0.00 0.00 174.62 173.92 2b35 s THR 254 N 0.85 0.00 -0.64 5.08 -1.32 -1.26 -4.59 115.64 113.76 2b35 s THR 254 Ca -0.09 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 2b35 s THR 254 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 2b35 s THR 254 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2b35 n GLY 255 N 0.33 0.81 3.30 6.08 0.00 0.21 -4.93 105.19 111.00 2b35 n GLY 255 Ca -0.18 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 2b35 n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b35 n ASP 256 N 0.24 2.84 -3.77 1.61 -0.08 -1.20 -4.47 116.55 111.72 2b35 n ASP 256 Ca -0.06 -3.05 -0.24 0.00 -1.51 0.00 0.00 54.79 49.93 2b35 n ASP 256 Cb 0.27 0.47 -0.17 0.00 2.34 0.00 0.00 41.12 44.02 2b35 n ASP 256 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2b35 s ILE 257 N -2.75 0.46 -0.20 5.18 1.01 -1.26 0.27 121.20 123.90 2b35 s ILE 257 Ca 0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 2b35 s ILE 257 Cb 0.00 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 2b35 s ILE 257 CO 0.03 0.14 0.27 -0.63 0.00 0.00 0.00 174.94 174.75 2b35 s ILE 258 N 1.92 5.30 -0.42 2.92 1.09 0.11 -4.94 121.20 127.17 2b35 s ILE 258 Ca 0.03 0.45 -0.21 0.00 -1.10 0.00 0.00 60.65 59.83 2b35 s ILE 258 Cb -0.14 -3.61 0.02 0.00 -1.06 0.00 0.00 42.46 37.68 2b35 s ILE 258 CO -0.06 0.33 0.65 -0.31 -0.10 0.00 0.00 174.94 175.45 2b35 s TYR 259 N 0.93 3.08 -1.12 3.97 1.51 -1.26 -1.31 117.35 123.15 2b35 s TYR 259 Ca 0.14 0.03 -0.07 0.00 -1.01 0.00 0.00 57.07 56.16 2b35 s TYR 259 Cb -0.14 -3.32 0.28 0.00 -0.11 0.00 0.00 41.96 38.67 2b35 s TYR 259 CO 0.05 -0.83 1.38 0.00 -1.11 0.00 0.00 175.55 175.04 2b35 n ALA 260 N 6.24 4.75 -1.70 3.71 0.00 -0.35 -4.76 120.51 128.39 2b35 n ALA 260 Ca -0.01 -4.67 0.02 0.00 0.00 0.00 0.00 53.44 48.78 2b35 n ALA 260 Cb 0.48 -2.50 0.03 0.00 0.00 0.00 0.00 19.45 17.47 2b35 n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2b35 n ASP 261 N 2.36 0.61 0.00 0.00 5.75 -1.26 -1.75 116.55 122.27 2b35 n ASP 261 Ca 0.27 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 2b35 n ASP 261 Cb 0.36 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2b35 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b35 n GLY 262 N -0.37 0.25 1.72 6.12 0.00 -1.26 -2.47 105.19 109.18 2b35 n GLY 262 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2b35 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b35 n GLY 263 N -0.95 0.77 0.35 -0.02 0.00 -1.26 -2.93 105.19 101.14 2b35 n GLY 263 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2b35 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b35 h ALA 264 N 0.00 1.59 0.00 4.61 0.00 -1.74 -1.68 119.26 122.04 2b35 h ALA 264 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2b35 h ALA 264 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2b35 h ALA 264 CO 0.00 0.34 0.00 -2.39 0.00 0.00 0.00 179.25 177.20 2b35 n HIS 265 N -4.46 0.15 1.59 0.00 1.44 -1.26 -1.90 115.22 110.79 2b35 n HIS 265 Ca 0.09 0.05 0.14 0.00 -2.01 0.00 0.00 57.72 55.99 2b35 n HIS 265 Cb 0.12 -0.58 0.60 0.00 0.12 0.00 0.00 29.99 30.25 2b35 n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2b35 n THR 266 N -1.63 0.02 -4.57 0.61 -2.24 -0.63 -4.88 114.28 100.96 2b35 n THR 266 Ca 0.05 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 2b35 n THR 266 Cb 0.29 0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.62 2b35 n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2b35 s GLN 267 N -1.98 1.39 -0.08 -0.78 -1.52 -0.80 -5.05 119.66 110.85 2b35 s GLN 267 Ca 0.39 -0.42 -0.15 0.00 -1.95 0.00 0.00 55.36 53.23 2b35 s GLN 267 Cb 0.21 -1.22 -0.29 0.00 -0.22 0.00 0.00 33.01 31.48 2b35 s GLN 267 CO 0.33 0.13 0.62 1.25 -0.25 0.00 0.00 175.29 177.37 2b35 h LEU 268 N 6.50 0.47 0.00 2.90 5.85 -1.90 -3.49 115.31 125.65 2b35 h LEU 268 Ca -0.33 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.50 2b35 h LEU 268 Cb 1.17 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2b35 h LEU 268 CO 0.48 1.67 0.00 -0.11 -0.34 0.00 0.00 178.44 180.14