#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b36 s GLY 3 N 0.00 1.84 0.53 3.38 0.00 -1.26 -4.97 107.32 106.84 2b36 s GLY 3 Ca 0.00 -0.35 0.21 0.00 0.00 0.00 0.00 44.72 44.57 2b36 s GLY 3 CO 0.00 -0.19 2.09 -2.00 0.00 0.00 0.00 173.10 173.00 2b36 h LEU 4 N 1.21 0.00 -4.62 0.66 6.46 -1.92 -2.97 115.31 114.14 2b36 h LEU 4 Ca -0.47 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 56.76 2b36 h LEU 4 Cb 1.19 0.00 -0.42 0.00 -0.73 0.00 0.00 40.66 40.71 2b36 h LEU 4 CO 0.64 0.00 -0.85 0.18 -0.62 0.00 0.00 178.44 177.79 2b36 n LEU 5 N -4.41 3.89 -4.76 2.25 7.99 -1.03 -4.77 117.00 116.16 2b36 n LEU 5 Ca 0.02 -4.81 -0.38 0.00 -0.01 0.00 0.00 56.01 50.84 2b36 n LEU 5 Cb 0.31 -0.23 0.02 0.00 -0.11 0.00 0.00 43.42 43.41 2b36 n LEU 5 CO 0.35 2.05 0.92 -1.81 -1.51 0.00 0.00 177.39 177.39 2b36 s ASP 6 N -3.44 5.56 -1.68 -1.43 1.01 -1.12 -3.25 116.67 112.32 2b36 s ASP 6 Ca 0.43 2.57 0.00 0.00 0.71 0.00 0.00 52.55 56.26 2b36 s ASP 6 Cb 0.41 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.72 2b36 s ASP 6 CO -0.12 -1.35 0.00 0.61 0.21 0.00 0.00 175.17 174.51 2b36 n GLY 7 N 0.61 1.19 3.63 0.21 0.00 -1.22 -4.94 105.19 104.67 2b36 n GLY 7 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2b36 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b36 s LYS 8 N -3.68 3.67 -0.36 1.61 1.02 -1.20 -4.97 119.74 115.83 2b36 s LYS 8 Ca 0.00 -0.38 -0.16 0.00 0.02 0.00 0.00 55.97 55.45 2b36 s LYS 8 Cb 0.00 -3.06 -0.00 0.00 -0.52 0.00 0.00 37.83 34.25 2b36 s LYS 8 CO 0.00 0.39 0.39 1.03 -0.92 0.00 0.00 175.35 176.24 2b36 s ARG 9 N 0.01 3.47 -0.08 1.68 0.52 -1.26 0.24 118.95 123.54 2b36 s ARG 9 Ca 0.04 -0.46 0.04 0.00 -0.52 0.00 0.00 55.73 54.82 2b36 s ARG 9 Cb -0.12 -3.84 0.00 0.00 0.52 0.00 0.00 34.95 31.51 2b36 s ARG 9 CO 0.01 -0.61 -0.19 0.42 0.02 0.00 0.00 175.30 174.96 2b36 s ILE 10 N 2.08 1.65 -0.17 1.52 1.01 0.71 -0.08 121.20 127.92 2b36 s ILE 10 Ca 0.12 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 2b36 s ILE 10 Cb -0.17 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2b36 s ILE 10 CO 0.12 0.47 0.35 -0.22 0.00 0.00 0.00 174.94 175.67 2b36 s LEU 11 N 0.35 4.22 -0.18 2.97 0.20 -0.35 -0.38 118.68 125.51 2b36 s LEU 11 Ca -0.14 0.56 0.00 0.00 0.69 0.00 0.00 54.13 55.24 2b36 s LEU 11 Cb -0.16 -2.47 0.04 0.00 -0.43 0.00 0.00 46.19 43.18 2b36 s LEU 11 CO 0.06 0.03 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.39 2b36 s VAL 12 N 0.75 1.32 0.46 1.68 1.01 0.28 -0.44 120.40 125.46 2b36 s VAL 12 Ca 0.19 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2b36 s VAL 12 Cb -0.14 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.81 2b36 s VAL 12 CO 0.06 0.13 0.60 -0.94 0.00 0.00 0.00 175.10 174.96 2b36 s SER 13 N 1.54 5.40 0.00 3.32 1.04 -0.62 -2.26 113.70 122.12 2b36 s SER 13 Ca -0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2b36 s SER 13 Cb -0.16 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.61 2b36 s SER 13 CO -0.08 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2b36 n GLY 14 N -1.92 0.68 3.72 7.32 0.00 -1.25 -3.94 105.19 109.80 2b36 n GLY 14 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2b36 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b36 s ILE 15 N -2.32 3.24 0.00 -0.61 1.01 -1.26 -4.65 121.20 116.61 2b36 s ILE 15 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2b36 s ILE 15 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.87 2b36 s ILE 15 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 174.94 175.04 2b36 n ILE 16 N 3.48 0.00 -4.36 2.92 0.13 -1.26 -4.77 119.36 115.50 2b36 n ILE 16 Ca 0.10 0.00 -0.20 0.00 -1.10 0.00 0.00 62.75 61.54 2b36 n ILE 16 Cb 0.42 -0.04 -0.09 0.00 -0.84 0.00 0.00 39.64 39.10 2b36 n ILE 16 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2b36 s THR 17 N -1.06 0.31 -2.04 9.51 -4.23 -1.26 -4.59 115.64 112.28 2b36 s THR 17 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2b36 s THR 17 Cb 0.00 -2.47 0.82 0.00 1.34 0.00 0.00 72.50 72.19 2b36 s THR 17 CO 0.00 0.00 2.11 -0.90 -0.54 0.00 0.00 174.62 175.29 2b36 n ASP 18 N -1.15 0.12 -0.22 3.99 5.75 -1.26 -2.67 116.55 121.12 2b36 n ASP 18 Ca 0.01 -1.11 0.10 0.00 -0.01 0.00 0.00 54.79 53.78 2b36 n ASP 18 Cb 0.64 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.67 2b36 n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2b36 n SER 19 N -0.87 1.41 -4.74 -1.12 7.64 -1.26 -4.84 113.62 109.84 2b36 n SER 19 Ca 0.22 -1.20 -0.40 0.00 1.01 0.00 0.00 58.87 58.49 2b36 n SER 19 Cb 0.12 0.76 0.02 0.00 -1.01 0.00 0.00 64.21 64.10 2b36 n SER 19 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2b36 n SER 20 N -0.80 3.01 -0.15 6.43 7.64 -1.09 -4.72 113.62 123.94 2b36 n SER 20 Ca 0.06 1.10 -0.05 0.00 1.01 0.00 0.00 58.87 60.99 2b36 n SER 20 Cb 0.37 -1.57 0.14 0.00 -1.01 0.00 0.00 64.21 62.14 2b36 n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2b36 h ILE 21 N 2.13 1.25 -0.04 0.44 2.04 -1.91 -2.03 117.51 119.38 2b36 h ILE 21 Ca -0.50 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.40 2b36 h ILE 21 Cb 1.28 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2b36 h ILE 21 CO 0.60 0.35 0.03 0.00 0.00 0.00 0.00 178.15 179.14 2b36 h ALA 22 N 1.22 1.94 -0.14 1.87 0.00 -1.82 -0.95 119.26 121.37 2b36 h ALA 22 Ca 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2b36 h ALA 22 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2b36 h ALA 22 CO 0.01 -0.05 -0.02 0.35 0.00 0.00 0.00 179.25 179.54 2b36 h PHE 23 N 0.00 0.29 0.00 0.00 3.57 -1.66 -1.07 116.94 118.08 2b36 h PHE 23 Ca 0.02 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 2b36 h PHE 23 Cb 0.08 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2b36 h PHE 23 CO 0.00 0.52 -0.32 0.45 -2.23 0.00 0.00 178.31 176.73 2b36 h HIS 24 N -0.02 0.00 -0.42 0.41 3.86 -1.43 0.22 115.15 117.77 2b36 h HIS 24 Ca 0.04 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.13 2b36 h HIS 24 Cb 0.41 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2b36 h HIS 24 CO 0.04 0.32 -0.22 0.82 0.86 0.00 0.00 177.93 179.75 2b36 h ILE 25 N 0.00 1.27 -0.05 2.45 2.04 -1.12 -1.64 117.51 120.45 2b36 h ILE 25 Ca -0.00 -1.35 -0.22 0.00 1.00 0.00 0.00 64.86 64.29 2b36 h ILE 25 Cb 0.99 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2b36 h ILE 25 CO 0.04 0.46 -0.87 0.00 0.00 0.00 0.00 178.15 177.78 2b36 h ALA 26 N 1.02 0.37 0.51 1.87 0.00 -0.84 -1.14 119.26 121.04 2b36 h ALA 26 Ca 0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2b36 h ALA 26 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2b36 h ALA 26 CO 0.06 0.75 -0.24 -0.09 0.00 0.00 0.00 179.25 179.72 2b36 h ARG 27 N 0.34 -0.66 0.36 0.00 2.43 -0.89 -1.30 114.38 114.68 2b36 h ARG 27 Ca -0.07 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2b36 h ARG 27 Cb 1.49 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 2b36 h ARG 27 CO 0.16 -0.40 -0.18 0.28 -1.51 0.00 0.00 179.97 178.32 2b36 h VAL 28 N -0.77 0.62 -0.84 0.20 2.07 -1.33 0.41 116.25 116.62 2b36 h VAL 28 Ca -0.07 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.66 2b36 h VAL 28 Cb 0.56 0.62 -0.14 0.00 -1.52 0.00 0.00 31.29 30.82 2b36 h VAL 28 CO 0.11 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.88 2b36 h ALA 29 N 0.14 1.13 0.17 1.67 0.00 -1.18 0.55 119.26 121.74 2b36 h ALA 29 Ca -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2b36 h ALA 29 Cb 0.39 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2b36 h ALA 29 CO 0.07 -0.44 -0.08 1.96 0.00 0.00 0.00 179.25 180.76 2b36 h GLN 30 N 0.19 -0.22 -1.23 0.00 4.20 -0.40 -0.63 115.11 117.02 2b36 h GLN 30 Ca 0.51 0.01 0.36 0.00 0.06 0.00 0.00 58.65 59.59 2b36 h GLN 30 Cb 0.98 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.76 2b36 h GLN 30 CO -0.65 0.10 1.01 0.93 -0.67 0.00 0.00 178.83 179.55 2b36 h GLU 31 N -0.54 0.00 -0.58 1.46 5.08 -0.24 0.64 114.58 120.41 2b36 h GLU 31 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2b36 h GLU 31 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2b36 h GLU 31 CO 0.04 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.09 2b36 n GLN 32 N -3.85 4.59 -2.65 2.33 1.13 0.12 -4.91 117.38 114.15 2b36 n GLN 32 Ca 0.27 -3.10 -0.10 0.00 -1.94 0.00 0.00 57.00 52.13 2b36 n GLN 32 Cb 1.40 -2.17 0.02 0.00 0.11 0.00 0.00 30.24 29.60 2b36 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2b36 n GLY 33 N 0.70 0.20 3.91 1.08 0.00 0.23 -2.47 105.19 108.83 2b36 n GLY 33 Ca 0.27 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 2b36 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b36 s ALA 34 N -2.86 3.66 -0.29 4.61 0.00 -0.28 -3.45 121.76 123.15 2b36 s ALA 34 Ca 0.15 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 2b36 s ALA 34 Cb -0.07 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2b36 s ALA 34 CO 0.18 0.28 0.20 -1.14 0.00 0.00 0.00 175.76 175.28 2b36 s GLN 35 N -3.49 3.87 0.13 0.00 0.74 0.14 -4.54 119.66 116.51 2b36 s GLN 35 Ca 0.43 -0.37 0.03 0.00 0.05 0.00 0.00 55.36 55.49 2b36 s GLN 35 Cb -0.11 -3.68 -0.04 0.00 1.10 0.00 0.00 33.01 30.28 2b36 s GLN 35 CO 0.30 -0.22 0.23 -0.51 -0.55 0.00 0.00 175.29 174.53 2b36 s LEU 36 N 1.75 4.19 -0.24 3.68 1.43 -1.26 -0.21 118.68 128.02 2b36 s LEU 36 Ca 0.07 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2b36 s LEU 36 Cb -0.16 -2.78 0.07 0.00 0.03 0.00 0.00 46.19 43.35 2b36 s LEU 36 CO 0.11 0.08 0.04 -0.69 0.23 0.00 0.00 176.35 176.12 2b36 s VAL 37 N -1.68 0.86 0.20 -1.59 1.01 0.49 -4.22 120.40 115.46 2b36 s VAL 37 Ca 0.33 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2b36 s VAL 37 Cb -0.11 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 2b36 s VAL 37 CO 0.27 -0.36 0.45 -0.76 0.00 0.00 0.00 175.10 174.70 2b36 s LEU 38 N 1.68 4.19 0.08 3.92 1.43 -0.21 -0.56 118.68 129.20 2b36 s LEU 38 Ca 0.02 0.66 0.06 0.00 -1.03 0.00 0.00 54.13 53.85 2b36 s LEU 38 Cb -0.17 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2b36 s LEU 38 CO -0.14 -0.04 -0.17 0.42 0.23 0.00 0.00 176.35 176.65 2b36 s THR 39 N -1.82 1.35 0.16 5.49 -4.23 -0.96 0.11 115.64 115.74 2b36 s THR 39 Ca 0.43 -1.35 0.05 0.00 -1.18 0.00 0.00 61.69 59.64 2b36 s THR 39 Cb -0.11 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 2b36 s THR 39 CO 0.26 -0.12 -0.11 -0.83 -0.54 0.00 0.00 174.62 173.27 2b36 s GLY 40 N -1.70 1.15 0.00 3.99 0.00 0.14 -3.90 107.32 107.00 2b36 s GLY 40 Ca 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.22 2b36 s GLY 40 CO 0.03 -1.62 0.00 0.33 0.00 0.00 0.00 173.10 171.84 2b36 n PHE 41 N -0.20 0.00 0.00 1.90 7.35 -1.26 0.74 117.46 125.99 2b36 n PHE 41 Ca -0.10 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.56 2b36 n PHE 41 Cb 0.60 -0.10 -0.01 0.00 0.35 0.00 0.00 39.48 40.33 2b36 n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2b36 n ASP 42 N -2.35 1.24 -3.76 -2.13 2.03 -1.26 -4.59 116.55 105.73 2b36 n ASP 42 Ca 0.00 0.18 -0.42 0.00 0.52 0.00 0.00 54.79 55.07 2b36 n ASP 42 Cb 0.00 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 2b36 n ASP 42 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2b36 n ARG 43 N -3.67 3.13 -0.12 -0.67 1.74 -1.26 -4.75 116.66 111.05 2b36 n ARG 43 Ca -0.04 -2.88 0.01 0.00 -0.77 0.00 0.00 57.85 54.16 2b36 n ARG 43 Cb 0.15 -3.16 0.29 0.00 -1.02 0.00 0.00 32.46 28.72 2b36 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2b36 h LEU 44 N 9.22 0.70 -0.45 0.55 3.38 -1.93 0.59 115.31 127.37 2b36 h LEU 44 Ca 0.53 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.37 2b36 h LEU 44 Cb 0.62 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2b36 h LEU 44 CO 1.80 0.57 -0.03 0.03 0.09 0.00 0.00 178.44 180.90 2b36 h ARG 45 N 0.80 0.82 -0.32 1.13 3.08 -2.00 -1.86 114.38 116.04 2b36 h ARG 45 Ca 0.21 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2b36 h ARG 45 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2b36 h ARG 45 CO -0.03 0.90 -0.10 1.25 -1.07 0.00 0.00 179.97 180.91 2b36 h LEU 46 N 0.66 0.64 -1.22 3.04 6.46 -1.79 -2.77 115.31 120.33 2b36 h LEU 46 Ca 0.12 -0.38 -0.08 0.00 -0.12 0.00 0.00 57.88 57.43 2b36 h LEU 46 Cb 0.55 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2b36 h LEU 46 CO 0.03 0.87 -0.36 0.16 -0.62 0.00 0.00 178.44 178.52 2b36 h ILE 47 N 0.40 1.06 -0.76 4.05 3.07 -0.93 -2.52 117.51 121.88 2b36 h ILE 47 Ca 0.08 -1.32 0.06 0.00 1.55 0.00 0.00 64.86 65.24 2b36 h ILE 47 Cb 0.60 1.75 -0.06 0.00 -0.27 0.00 0.00 36.82 38.84 2b36 h ILE 47 CO 0.04 0.35 0.45 1.56 -1.05 0.00 0.00 178.15 179.49 2b36 h GLN 48 N 0.00 0.78 -0.20 0.16 1.08 -1.06 0.73 115.11 116.61 2b36 h GLN 48 Ca -0.00 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 2b36 h GLN 48 Cb 0.72 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2b36 h GLN 48 CO 0.05 0.52 -0.22 -0.09 -0.95 0.00 0.00 178.83 178.14 2b36 h ARG 49 N 0.81 0.36 0.03 1.46 2.43 -1.28 -1.52 114.38 116.67 2b36 h ARG 49 Ca 0.34 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2b36 h ARG 49 Cb 0.20 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2b36 h ARG 49 CO -0.19 0.57 -0.01 0.82 -1.51 0.00 0.00 179.97 179.64 2b36 h ILE 50 N 0.33 1.05 -0.95 1.20 1.08 -1.19 -3.34 117.51 115.69 2b36 h ILE 50 Ca 0.05 -1.67 0.16 0.00 -0.39 0.00 0.00 64.86 63.01 2b36 h ILE 50 Cb 0.57 1.94 -0.10 0.00 -3.07 0.00 0.00 36.82 36.16 2b36 h ILE 50 CO 0.04 0.34 0.56 0.71 -0.69 0.00 0.00 178.15 179.11 2b36 h THR 51 N -0.97 0.77 -0.26 -0.27 1.35 0.48 0.15 112.91 114.17 2b36 h THR 51 Ca -0.00 -0.27 0.08 0.00 -0.55 0.00 0.00 66.41 65.66 2b36 h THR 51 Cb 0.59 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 2b36 h THR 51 CO 0.01 0.14 0.33 0.44 -0.25 0.00 0.00 175.52 176.18 2b36 h ASP 52 N 0.78 0.00 -0.03 5.36 3.45 -1.40 0.35 116.42 124.94 2b36 h ASP 52 Ca 0.52 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.98 2b36 h ASP 52 Cb 0.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 2b36 h ASP 52 CO -0.34 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 177.87 2b36 n ARG 53 N -3.63 1.06 -3.04 3.56 1.74 0.53 -4.87 116.66 112.01 2b36 n ARG 53 Ca 0.04 -0.10 -0.32 0.00 -0.77 0.00 0.00 57.85 56.70 2b36 n ARG 53 Cb 0.46 -1.06 -0.06 0.00 -1.02 0.00 0.00 32.46 30.78 2b36 n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2b36 s LEU 54 N -1.09 4.01 0.48 0.55 1.43 0.12 -4.98 118.68 119.21 2b36 s LEU 54 Ca 0.06 1.33 0.29 0.00 -1.03 0.00 0.00 54.13 54.78 2b36 s LEU 54 Cb 0.03 -4.15 1.37 0.00 0.03 0.00 0.00 46.19 43.47 2b36 s LEU 54 CO 0.04 -0.26 1.78 -0.65 0.23 0.00 0.00 176.35 177.50 2b36 h PRO 55 N 2.06 0.15 -4.28 1.29 0.11 -1.89 -3.41 132.00 126.02 2b36 h PRO 55 Ca -0.48 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 2b36 h PRO 55 Cb 1.18 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 2b36 h PRO 55 CO 0.64 0.10 -0.72 0.00 -0.21 0.00 0.00 178.00 177.82 2b36 s ALA 56 N -5.17 0.36 0.27 -0.75 0.00 -1.26 -5.06 121.76 110.15 2b36 s ALA 56 Ca -0.07 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.89 2b36 s ALA 56 Cb 0.24 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.37 2b36 s ALA 56 CO 0.80 -0.10 1.17 -1.59 0.00 0.00 0.00 175.76 176.04 2b36 s LYS 57 N -1.63 4.54 -0.07 0.00 -2.85 -1.26 -5.01 119.74 113.46 2b36 s LYS 57 Ca -0.12 1.91 -0.15 0.00 -1.00 0.00 0.00 55.97 56.62 2b36 s LYS 57 Cb -0.09 -3.18 0.03 0.00 -2.06 0.00 0.00 37.83 32.53 2b36 s LYS 57 CO -0.01 0.05 0.36 0.00 0.10 0.00 0.00 175.35 175.85 2b36 s ALA 58 N -0.87 -0.90 0.40 0.59 0.00 -1.26 -4.88 121.76 114.84 2b36 s ALA 58 Ca 0.48 0.70 -0.27 0.00 0.00 0.00 0.00 51.96 52.87 2b36 s ALA 58 Cb -0.34 -0.24 -0.11 0.00 0.00 0.00 0.00 23.12 22.43 2b36 s ALA 58 CO 0.42 -0.23 1.32 -2.30 0.00 0.00 0.00 175.76 174.98 2b36 n PRO 59 N 1.99 2.12 -4.07 0.00 -0.02 -1.26 -4.82 135.00 128.93 2b36 n PRO 59 Ca -0.18 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 2b36 n PRO 59 Cb 0.57 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 2b36 n PRO 59 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2b36 s LEU 60 N -1.64 3.32 0.30 2.45 0.20 -1.26 -1.05 118.68 121.00 2b36 s LEU 60 Ca 0.58 -1.33 0.06 0.00 0.69 0.00 0.00 54.13 54.13 2b36 s LEU 60 Cb -0.51 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 43.69 2b36 s LEU 60 CO 0.60 -0.18 0.39 -0.76 -0.29 0.00 0.00 176.35 176.12 2b36 s LEU 61 N 1.12 4.04 -0.23 -0.68 1.43 0.12 -4.93 118.68 119.55 2b36 s LEU 61 Ca -0.08 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 2b36 s LEU 61 Cb -0.19 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2b36 s LEU 61 CO -0.06 -0.27 0.30 -0.70 0.23 0.00 0.00 176.35 175.85 2b36 s GLU 62 N -4.07 4.09 -0.25 1.70 2.12 -1.26 0.27 118.70 121.31 2b36 s GLU 62 Ca 0.40 -0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.68 2b36 s GLU 62 Cb -0.09 -3.57 0.10 0.00 0.26 0.00 0.00 34.13 30.83 2b36 s GLU 62 CO 0.29 -0.06 0.18 -1.17 -0.54 0.00 0.00 175.26 173.96 2b36 s LEU 63 N 1.41 0.17 -0.49 2.70 2.96 0.23 -4.86 118.68 120.79 2b36 s LEU 63 Ca 0.14 -0.81 -0.16 0.00 -0.22 0.00 0.00 54.13 53.08 2b36 s LEU 63 Cb -0.15 0.04 0.09 0.00 0.50 0.00 0.00 46.19 46.67 2b36 s LEU 63 CO 0.07 -0.39 0.44 -0.62 -1.32 0.00 0.00 176.35 174.53 2b36 s ASP 64 N 2.22 6.16 0.61 3.68 2.15 -1.26 -4.11 116.67 126.12 2b36 s ASP 64 Ca 0.07 -1.41 0.30 0.00 0.43 0.00 0.00 52.55 51.95 2b36 s ASP 64 Cb -0.15 -2.20 1.65 0.00 -0.30 0.00 0.00 42.92 41.92 2b36 s ASP 64 CO -0.26 -0.71 1.92 -0.37 -0.17 0.00 0.00 175.17 175.57 2b36 h VAL 65 N 5.79 0.00 0.00 1.11 -1.51 -1.97 0.47 116.25 120.14 2b36 h VAL 65 Ca -0.29 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.11 2b36 h VAL 65 Cb 1.11 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 2b36 h VAL 65 CO 0.92 0.00 -0.57 1.56 -1.23 0.00 0.00 177.57 178.26 2b36 h GLN 66 N 0.00 0.00 -6.19 5.19 4.20 -1.93 -3.46 115.11 112.92 2b36 h GLN 66 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2b36 h GLN 66 Cb 0.50 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 2b36 h GLN 66 CO 0.00 0.25 0.90 1.21 -0.67 0.00 0.00 178.83 180.52 2b36 s ASN 67 N -6.13 6.91 0.34 1.46 3.04 0.17 -4.93 114.94 115.79 2b36 s ASN 67 Ca 0.03 1.48 0.12 0.00 0.04 0.00 0.00 52.86 54.53 2b36 s ASN 67 Cb 0.07 -2.54 0.60 0.00 -1.54 0.00 0.00 41.25 37.84 2b36 s ASN 67 CO 0.74 -0.83 1.76 -0.08 -3.04 0.00 0.00 177.10 175.65 2b36 h GLU 68 N 8.30 0.01 0.16 0.43 4.57 -1.88 -2.69 114.58 123.47 2b36 h GLU 68 Ca -0.25 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 2b36 h GLU 68 Cb 1.09 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2b36 h GLU 68 CO 0.99 0.46 -0.08 0.93 -1.18 0.00 0.00 179.01 180.13 2b36 h GLU 69 N 0.01 -0.20 -0.68 1.92 3.07 -1.94 -2.28 114.58 114.47 2b36 h GLU 69 Ca -0.00 0.01 0.15 0.00 -0.50 0.00 0.00 59.36 59.02 2b36 h GLU 69 Cb 0.80 0.05 -0.11 0.00 -0.84 0.00 0.00 28.75 28.64 2b36 h GLU 69 CO 0.06 0.12 0.06 0.45 -1.40 0.00 0.00 179.01 178.30 2b36 h HIS 70 N -0.54 0.06 -0.10 4.33 3.86 -1.84 0.11 115.15 121.03 2b36 h HIS 70 Ca -0.02 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2b36 h HIS 70 Cb 0.42 0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2b36 h HIS 70 CO 0.03 -0.15 0.06 -0.07 0.86 0.00 0.00 177.93 178.66 2b36 h LEU 71 N 0.16 0.12 -1.30 2.43 4.07 -1.54 -1.23 115.31 118.03 2b36 h LEU 71 Ca 0.37 -0.04 -0.07 0.00 0.08 0.00 0.00 57.88 58.22 2b36 h LEU 71 Cb 0.62 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2b36 h LEU 71 CO -0.55 0.12 -0.35 0.00 -1.08 0.00 0.00 178.44 176.59 2b36 h ALA 72 N 1.00 1.36 -0.00 1.53 0.00 -0.62 -2.63 119.26 119.91 2b36 h ALA 72 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2b36 h ALA 72 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2b36 h ALA 72 CO -0.01 0.43 -0.65 -1.13 0.00 0.00 0.00 179.25 177.90 2b36 n SER 73 N -4.03 0.83 -0.15 0.00 3.41 0.27 -4.60 113.62 109.35 2b36 n SER 73 Ca -0.02 -0.66 -0.04 0.00 -0.26 0.00 0.00 58.87 57.89 2b36 n SER 73 Cb 0.40 0.52 0.05 0.00 -0.26 0.00 0.00 64.21 64.91 2b36 n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2b36 h LEU 74 N 0.29 0.17 0.11 1.04 6.46 -0.82 -2.80 115.31 119.76 2b36 h LEU 74 Ca 0.00 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2b36 h LEU 74 Cb 0.52 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2b36 h LEU 74 CO 0.00 0.13 -0.05 0.00 -0.62 0.00 0.00 178.44 177.89 2b36 h ALA 75 N 1.31 -0.15 0.23 1.25 0.00 -1.80 -1.26 119.26 118.83 2b36 h ALA 75 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2b36 h ALA 75 Cb 0.23 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2b36 h ALA 75 CO -0.23 -0.55 -0.20 0.78 0.00 0.00 0.00 179.25 179.05 2b36 h GLY 76 N -0.22 -0.46 -0.03 0.00 0.00 -1.86 0.18 103.07 100.69 2b36 h GLY 76 Ca -0.02 0.23 0.24 0.00 0.00 0.00 0.00 47.33 47.79 2b36 h GLY 76 CO 0.03 -0.20 0.64 3.21 0.00 0.00 0.00 176.54 180.22 2b36 h ARG 77 N -0.45 0.48 -0.09 4.80 3.08 -1.43 0.24 114.38 121.01 2b36 h ARG 77 Ca -0.01 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.79 2b36 h ARG 77 Cb 0.41 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.36 2b36 h ARG 77 CO -0.03 0.32 -0.84 0.28 -1.07 0.00 0.00 179.97 178.63 2b36 h VAL 78 N 0.49 1.31 -0.98 2.04 2.07 -0.39 -2.50 116.25 118.30 2b36 h VAL 78 Ca 0.58 -2.11 0.05 0.00 0.82 0.00 0.00 66.70 66.04 2b36 h VAL 78 Cb 1.31 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 33.14 2b36 h VAL 78 CO -0.32 0.65 0.64 0.74 0.02 0.00 0.00 177.57 179.30 2b36 h THR 79 N 0.43 1.13 0.00 2.57 2.02 0.24 -1.16 112.91 118.14 2b36 h THR 79 Ca -0.07 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 2b36 h THR 79 Cb 1.46 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2b36 h THR 79 CO 0.16 0.22 -0.46 -0.08 0.37 0.00 0.00 175.52 175.73 2b36 h GLU 80 N 1.20 0.00 0.21 6.66 4.81 -0.76 0.79 114.58 127.49 2b36 h GLU 80 Ca 0.41 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.36 2b36 h GLU 80 Cb 0.08 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.49 2b36 h GLU 80 CO -0.15 0.46 -1.23 0.00 -0.73 0.00 0.00 179.01 177.36 2b36 h ALA 81 N 1.54 -0.14 0.00 2.92 0.00 -0.90 -3.33 119.26 119.36 2b36 h ALA 81 Ca -0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 54.91 54.01 2b36 h ALA 81 Cb 0.91 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2b36 h ALA 81 CO 0.06 0.57 -1.05 -0.84 0.00 0.00 0.00 179.25 177.99 2b36 h ILE 82 N -0.05 0.37 0.00 0.00 3.07 -1.28 -3.48 117.51 116.14 2b36 h ILE 82 Ca -0.21 -1.66 0.00 0.00 1.55 0.00 0.00 64.86 64.53 2b36 h ILE 82 Cb 1.97 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 40.45 2b36 h ILE 82 CO 0.23 0.21 0.00 0.61 -1.05 0.00 0.00 178.15 178.15 2b36 n GLY 83 N 1.28 2.05 3.55 0.16 0.00 0.27 -4.76 105.19 107.75 2b36 n GLY 83 Ca -0.04 -1.34 -0.45 0.00 0.00 0.00 0.00 46.02 44.19 2b36 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b36 n ALA 84 N 2.46 -0.75 0.00 4.61 0.00 -1.02 -1.09 120.51 124.72 2b36 n ALA 84 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2b36 n ALA 84 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2b36 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b36 n GLY 85 N 1.39 2.24 3.90 0.00 0.00 -1.26 -5.02 105.19 106.43 2b36 n GLY 85 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2b36 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b36 s ASN 86 N -2.01 6.45 0.24 1.61 0.01 -0.25 -5.11 114.94 115.89 2b36 s ASN 86 Ca 0.00 0.49 0.02 0.00 -0.71 0.00 0.00 52.86 52.66 2b36 s ASN 86 Cb 0.00 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 2b36 s ASN 86 CO 0.00 0.19 0.04 -0.54 -1.51 0.00 0.00 177.10 175.28 2b36 s LYS 87 N -2.13 1.36 0.33 -0.60 1.02 -1.26 -4.81 119.74 113.65 2b36 s LYS 87 Ca 0.32 -1.71 -0.24 0.00 0.02 0.00 0.00 55.97 54.36 2b36 s LYS 87 Cb -0.13 -0.46 -0.10 0.00 -0.52 0.00 0.00 37.83 36.62 2b36 s LYS 87 CO 0.21 -0.18 0.91 -0.51 -0.92 0.00 0.00 175.35 174.86 2b36 s LEU 88 N -3.31 4.26 -0.02 3.17 1.43 -0.03 -4.62 118.68 119.57 2b36 s LEU 88 Ca 0.32 1.75 0.11 0.00 -1.03 0.00 0.00 54.13 55.28 2b36 s LEU 88 Cb 0.07 -4.06 -0.17 0.00 0.03 0.00 0.00 46.19 42.06 2b36 s LEU 88 CO 0.10 -0.11 0.24 0.47 0.23 0.00 0.00 176.35 177.28 2b36 n ASP 89 N 0.34 2.47 -3.71 2.29 8.00 0.88 0.24 116.55 127.06 2b36 n ASP 89 Ca 0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 2b36 n ASP 89 Cb 0.51 1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 43.03 2b36 n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2b36 s GLY 90 N -3.28 -0.23 -0.03 0.44 0.00 -1.02 -0.88 107.32 102.31 2b36 s GLY 90 Ca -0.04 0.49 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 2b36 s GLY 90 CO 0.46 0.26 0.03 0.14 0.00 0.00 0.00 173.10 173.99 2b36 s VAL 91 N -1.38 0.01 -0.36 1.40 1.01 -0.29 -1.21 120.40 119.58 2b36 s VAL 91 Ca -0.13 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2b36 s VAL 91 Cb -0.04 -0.19 0.09 0.00 0.00 0.00 0.00 36.38 36.25 2b36 s VAL 91 CO 0.05 0.15 0.11 -0.69 0.00 0.00 0.00 175.10 174.72 2b36 s VAL 92 N 1.53 2.93 -0.53 2.92 1.01 0.42 -1.38 120.40 127.30 2b36 s VAL 92 Ca -0.03 -1.98 -0.25 0.00 0.00 0.00 0.00 61.98 59.72 2b36 s VAL 92 Cb -0.13 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.32 2b36 s VAL 92 CO -0.03 -0.53 0.96 -2.28 0.00 0.00 0.00 175.10 173.22 2b36 s HIS 93 N 1.10 2.81 -0.34 5.22 2.46 -0.89 -1.58 115.29 124.07 2b36 s HIS 93 Ca 0.06 0.14 0.09 0.00 0.47 0.00 0.00 55.06 55.82 2b36 s HIS 93 Cb -0.21 -4.09 0.45 0.00 -0.13 0.00 0.00 32.58 28.60 2b36 s HIS 93 CO -0.05 -1.30 1.13 0.45 -2.47 0.00 0.00 174.74 172.50 2b36 n SER 94 N 7.47 4.08 -4.75 9.88 2.88 -1.25 -2.37 113.62 129.56 2b36 n SER 94 Ca 0.04 -3.42 -0.32 0.00 -1.33 0.00 0.00 58.87 53.84 2b36 n SER 94 Cb 0.48 -0.42 -0.07 0.00 -0.75 0.00 0.00 64.21 63.45 2b36 n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2b36 s ILE 95 N -4.68 4.50 -0.25 2.46 1.01 -1.26 -4.31 121.20 118.67 2b36 s ILE 95 Ca 0.44 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 2b36 s ILE 95 Cb 0.40 -3.09 0.17 0.00 0.01 0.00 0.00 42.46 39.95 2b36 s ILE 95 CO -0.05 0.27 1.24 -0.83 0.00 0.00 0.00 174.94 175.57 2b36 s GLY 96 N -1.95 0.01 -0.11 6.18 0.00 -1.26 -4.70 107.32 105.50 2b36 s GLY 96 Ca 0.24 2.72 -0.30 0.00 0.00 0.00 0.00 44.72 47.38 2b36 s GLY 96 CO 0.16 1.29 0.89 -0.12 0.00 0.00 0.00 173.10 175.32 2b36 s PHE 97 N -0.75 -0.46 -0.30 1.90 5.36 -1.26 -4.95 117.98 117.51 2b36 s PHE 97 Ca 0.05 0.75 -0.14 0.00 -0.96 0.00 0.00 56.93 56.63 2b36 s PHE 97 Cb -0.02 0.45 0.16 0.00 -0.34 0.00 0.00 43.02 43.26 2b36 s PHE 97 CO -0.06 -0.44 0.92 1.41 -1.46 0.00 0.00 175.22 175.58 2b36 s MET 98 N -1.31 0.35 0.85 10.12 -2.45 -1.26 -4.44 119.30 121.17 2b36 s MET 98 Ca -0.04 0.88 -0.13 0.00 -1.25 0.00 0.00 55.69 55.15 2b36 s MET 98 Cb -0.00 0.51 0.08 0.00 1.25 0.00 0.00 34.83 36.67 2b36 s MET 98 CO 0.03 -0.12 0.98 -2.30 1.05 0.00 0.00 175.02 174.66 2b36 n PRO 99 N 5.02 -0.06 0.21 4.11 -0.02 -1.26 -4.85 135.00 138.14 2b36 n PRO 99 Ca -0.10 0.05 0.13 0.00 -2.02 0.00 0.00 63.50 61.57 2b36 n PRO 99 Cb 0.52 -2.26 0.74 0.00 -0.02 0.00 0.00 33.50 32.48 2b36 n PRO 99 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2b36 h GLN 100 N -1.23 0.00 -0.99 -0.52 1.08 -2.00 -1.64 115.11 109.81 2b36 h GLN 100 Ca -0.45 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 56.82 2b36 h GLN 100 Cb 1.29 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.66 2b36 h GLN 100 CO 0.42 0.00 0.64 1.79 -0.95 0.00 0.00 178.83 180.73 2b36 h THR 101 N 0.00 1.08 -0.58 -0.54 1.35 -1.95 -2.59 112.91 109.68 2b36 h THR 101 Ca 0.07 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2b36 h THR 101 Cb 0.29 -0.17 0.00 0.00 -1.73 0.00 0.00 68.15 66.54 2b36 h THR 101 CO -0.00 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 2b36 n GLY 102 N -1.36 2.96 3.56 5.82 0.00 -0.62 -4.08 105.19 111.47 2b36 n GLY 102 Ca 0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 2b36 n GLY 102 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2b36 s MET 103 N -2.21 0.45 0.00 1.61 -2.45 -0.98 -1.22 119.30 114.51 2b36 s MET 103 Ca 0.51 0.98 0.00 0.00 -1.25 0.00 0.00 55.69 55.93 2b36 s MET 103 Cb 0.35 0.41 0.00 0.00 1.25 0.00 0.00 34.83 36.85 2b36 s MET 103 CO 0.20 -0.13 0.00 0.41 1.05 0.00 0.00 175.02 176.55 2b36 n GLY 104 N 4.67 0.19 0.14 2.11 0.00 0.21 -4.51 105.19 108.00 2b36 n GLY 104 Ca -0.14 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.69 2b36 n GLY 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2b36 h ILE 105 N 0.00 0.00 -2.88 -0.61 6.09 -1.86 -3.33 117.51 114.92 2b36 h ILE 105 Ca 0.00 -0.91 -0.52 0.00 -1.37 0.00 0.00 64.86 62.06 2b36 h ILE 105 Cb 0.00 1.58 0.05 0.00 0.47 0.00 0.00 36.82 38.93 2b36 h ILE 105 CO 0.00 0.00 0.91 0.21 -3.07 0.00 0.00 178.15 176.20 2b36 s ASN 106 N -5.42 6.51 0.28 2.19 2.47 -1.26 -4.92 114.94 114.79 2b36 s ASN 106 Ca 0.03 2.72 -0.30 0.00 0.42 0.00 0.00 52.86 55.74 2b36 s ASN 106 Cb 0.09 -2.60 -0.13 0.00 -1.45 0.00 0.00 41.25 37.16 2b36 s ASN 106 CO 0.74 -0.86 1.37 -2.65 -3.72 0.00 0.00 177.10 171.98 2b36 n PRO 107 N 3.65 2.12 -0.09 0.43 -0.02 -1.26 -4.71 135.00 135.12 2b36 n PRO 107 Ca 0.13 0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 62.28 2b36 n PRO 107 Cb 0.38 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 2b36 n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2b36 h PHE 108 N 3.59 -0.89 0.00 6.00 3.57 -1.91 -0.59 116.94 126.71 2b36 h PHE 108 Ca -0.46 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2b36 h PHE 108 Cb 1.27 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.46 2b36 h PHE 108 CO 0.54 -0.38 0.00 1.19 -2.23 0.00 0.00 178.31 177.43 2b36 n PHE 109 N -5.41 0.16 -0.39 0.41 3.72 -1.26 -2.73 117.46 111.96 2b36 n PHE 109 Ca 0.00 0.08 0.10 0.00 -0.05 0.00 0.00 57.45 57.58 2b36 n PHE 109 Cb 0.33 -0.63 0.33 0.00 -0.94 0.00 0.00 39.48 38.58 2b36 n PHE 109 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2b36 n ASP 110 N -1.66 4.23 -4.61 4.37 8.00 -0.23 -4.88 116.55 121.77 2b36 n ASP 110 Ca 0.00 -2.22 -0.42 0.00 0.71 0.00 0.00 54.79 52.86 2b36 n ASP 110 Cb 0.05 -0.53 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 2b36 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b36 s ALA 111 N -1.47 3.52 0.39 2.24 0.00 -1.10 -4.93 121.76 120.41 2b36 s ALA 111 Ca 0.49 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.70 2b36 s ALA 111 Cb 0.28 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 2b36 s ALA 111 CO 0.28 -1.19 1.06 -1.25 0.00 0.00 0.00 175.76 174.66 2b36 s PRO 112 N 2.87 4.19 0.25 0.00 0.04 -1.26 -4.88 135.00 136.22 2b36 s PRO 112 Ca 0.30 1.55 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 2b36 s PRO 112 Cb -0.14 -2.60 0.42 0.00 0.04 0.00 0.00 34.50 32.22 2b36 s PRO 112 CO 0.13 -0.12 1.83 -0.92 0.04 0.00 0.00 177.00 177.95 2b36 h TYR 113 N 2.60 0.96 -0.98 0.56 3.20 -1.98 -0.58 116.97 120.75 2b36 h TYR 113 Ca -0.48 0.03 0.17 0.00 3.14 0.00 0.00 58.73 61.59 2b36 h TYR 113 Cb 1.22 -0.30 -0.09 0.00 1.54 0.00 0.00 36.73 39.09 2b36 h TYR 113 CO 0.58 0.42 0.61 0.00 -1.64 0.00 0.00 178.16 178.13 2b36 h ALA 114 N 1.46 1.74 0.45 1.82 0.00 -1.97 1.41 119.26 124.17 2b36 h ALA 114 Ca 0.42 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2b36 h ALA 114 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2b36 h ALA 114 CO -0.23 -0.05 -0.22 -0.44 0.00 0.00 0.00 179.25 178.31 2b36 h ASP 115 N 0.76 -0.52 -0.92 0.00 3.45 -1.50 -1.58 116.42 116.11 2b36 h ASP 115 Ca 0.53 -0.09 0.05 0.00 0.43 0.00 0.00 57.03 57.95 2b36 h ASP 115 Cb 0.82 0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 39.66 2b36 h ASP 115 CO -0.30 -0.13 0.59 0.58 -1.57 0.00 0.00 179.24 178.40 2b36 h VAL 116 N -0.97 1.09 -0.56 -1.35 2.07 -0.77 -2.45 116.25 113.32 2b36 h VAL 116 Ca -0.06 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2b36 h VAL 116 Cb 0.58 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2b36 h VAL 116 CO 0.10 0.20 0.10 -1.28 0.02 0.00 0.00 177.57 176.71 2b36 h SER 117 N 1.10 0.83 0.11 0.57 0.87 0.18 0.16 113.55 117.37 2b36 h SER 117 Ca 0.39 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.68 2b36 h SER 117 Cb 0.12 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2b36 h SER 117 CO -0.16 0.83 -0.34 0.50 -0.53 0.00 0.00 176.83 177.13 2b36 h LYS 118 N 0.84 0.33 0.05 2.24 3.64 -0.83 -1.95 116.57 120.89 2b36 h LYS 118 Ca 0.18 -0.14 -0.24 0.00 -1.27 0.00 0.00 60.65 59.18 2b36 h LYS 118 Cb 0.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2b36 h LYS 118 CO 0.00 0.64 -1.05 0.78 -2.27 0.00 0.00 179.45 177.55 2b36 h GLY 119 N 1.10 0.35 1.77 5.01 0.00 -1.10 -2.51 103.07 107.68 2b36 h GLY 119 Ca 0.03 -0.71 -0.14 0.00 0.00 0.00 0.00 47.33 46.52 2b36 h GLY 119 CO 0.06 0.62 -0.56 -2.22 0.00 0.00 0.00 176.54 174.44 2b36 h ILE 120 N 0.14 1.37 -0.21 2.60 2.04 -0.96 0.40 117.51 122.89 2b36 h ILE 120 Ca -0.09 -1.87 -0.04 0.00 1.00 0.00 0.00 64.86 63.85 2b36 h ILE 120 Cb 1.73 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 2b36 h ILE 120 CO 0.17 0.56 -0.04 -0.74 0.00 0.00 0.00 178.15 178.10 2b36 h HIS 121 N 0.19 0.45 0.07 1.37 2.76 -1.39 0.26 115.15 118.86 2b36 h HIS 121 Ca 0.00 -0.09 -0.23 0.00 -2.20 0.00 0.00 60.37 57.85 2b36 h HIS 121 Cb 1.04 -0.11 0.02 0.00 1.55 0.00 0.00 27.41 29.91 2b36 h HIS 121 CO 0.02 0.64 -0.94 0.82 -1.30 0.00 0.00 177.93 177.17 2b36 h ILE 122 N 0.13 1.37 0.19 6.26 2.04 -1.45 -1.44 117.51 124.61 2b36 h ILE 122 Ca 0.05 -2.33 -0.31 0.00 1.00 0.00 0.00 64.86 63.28 2b36 h ILE 122 Cb 0.49 2.73 0.02 0.00 -0.74 0.00 0.00 36.82 39.32 2b36 h ILE 122 CO 0.02 0.69 -1.35 0.28 0.00 0.00 0.00 178.15 177.79 2b36 h SER 123 N 0.05 0.67 0.00 1.72 0.02 -0.24 -3.39 113.55 112.37 2b36 h SER 123 Ca -0.14 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 2b36 h SER 123 Cb 1.65 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2b36 h SER 123 CO 0.18 1.54 -0.46 0.00 -1.14 0.00 0.00 176.83 176.96 2b36 n ALA 124 N -2.63 1.72 -0.04 3.77 0.00 0.76 -4.71 120.51 119.37 2b36 n ALA 124 Ca -0.13 -0.40 0.01 0.00 0.00 0.00 0.00 53.44 52.92 2b36 n ALA 124 Cb 1.06 0.10 0.33 0.00 0.00 0.00 0.00 19.45 20.93 2b36 n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2b36 h TYR 125 N -0.46 0.61 0.00 0.00 5.03 -1.17 -2.64 116.97 118.35 2b36 h TYR 125 Ca 0.00 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 2b36 h TYR 125 Cb 0.46 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.54 2b36 h TYR 125 CO -0.20 0.49 -0.02 0.66 -1.32 0.00 0.00 178.16 177.77 2b36 h SER 126 N 0.62 0.00 -0.54 -2.11 4.64 -1.45 0.62 113.55 115.33 2b36 h SER 126 Ca 0.15 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 2b36 h SER 126 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 2b36 h SER 126 CO -0.01 0.02 0.13 0.22 -0.87 0.00 0.00 176.83 176.31 2b36 h TYR 127 N 0.00 0.90 0.29 4.77 3.20 -1.75 -0.76 116.97 123.63 2b36 h TYR 127 Ca -0.00 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2b36 h TYR 127 Cb 0.11 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2b36 h TYR 127 CO 0.00 0.79 -0.14 0.00 -1.64 0.00 0.00 178.16 177.17 2b36 h ALA 128 N 1.01 -0.39 -0.28 1.82 0.00 -1.03 -2.74 119.26 117.64 2b36 h ALA 128 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2b36 h ALA 128 Cb 0.34 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2b36 h ALA 128 CO 0.00 -0.53 0.19 0.66 0.00 0.00 0.00 179.25 179.58 2b36 h SER 129 N -0.78 0.13 -0.19 0.00 4.64 -1.38 0.34 113.55 116.31 2b36 h SER 129 Ca -0.04 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 2b36 h SER 129 Cb 0.51 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2b36 h SER 129 CO 0.07 0.08 -0.66 -0.03 -0.87 0.00 0.00 176.83 175.42 2b36 h MET 130 N 0.14 0.79 -0.51 4.77 -1.53 -1.19 -2.56 114.93 114.84 2b36 h MET 130 Ca 0.13 -0.59 -0.11 0.00 -3.44 0.00 0.00 59.70 55.69 2b36 h MET 130 Cb 0.32 0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.46 2b36 h MET 130 CO -0.02 1.21 -0.11 0.00 0.14 0.00 0.00 176.91 178.13 2b36 h ALA 131 N 0.58 0.70 -0.89 0.39 0.00 -0.90 0.33 119.26 119.47 2b36 h ALA 131 Ca -0.03 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2b36 h ALA 131 Cb 1.28 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2b36 h ALA 131 CO 0.14 0.61 0.54 -0.22 0.00 0.00 0.00 179.25 180.32 2b36 h LYS 132 N 0.83 0.88 -0.11 0.00 3.64 -0.38 0.22 116.57 121.66 2b36 h LYS 132 Ca 0.13 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.25 2b36 h LYS 132 Cb 0.67 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2b36 h LYS 132 CO 0.05 0.58 -0.75 0.00 -2.27 0.00 0.00 179.45 177.06 2b36 h ALA 133 N 1.46 0.24 0.00 5.00 0.00 -1.02 -3.38 119.26 121.56 2b36 h ALA 133 Ca 0.42 -0.59 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 2b36 h ALA 133 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2b36 h ALA 133 CO -0.23 0.59 -1.99 1.28 0.00 0.00 0.00 179.25 178.91 2b36 n LEU 134 N -4.01 0.44 -0.27 0.00 4.77 0.07 -4.40 117.00 113.60 2b36 n LEU 134 Ca -0.08 0.21 0.06 0.00 -0.03 0.00 0.00 56.01 56.16 2b36 n LEU 134 Cb 0.73 0.29 0.16 0.00 -2.33 0.00 0.00 43.42 42.28 2b36 n LEU 134 CO 0.52 0.39 0.79 0.25 -1.33 0.00 0.00 177.39 178.00 2b36 h LEU 135 N 0.00 -0.47 -1.01 2.23 5.85 -0.73 0.47 115.31 121.65 2b36 h LEU 135 Ca -0.37 0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.70 2b36 h LEU 135 Cb 2.01 0.40 -0.09 0.00 0.37 0.00 0.00 40.66 43.36 2b36 h LEU 135 CO 0.05 -0.22 0.63 -0.65 -0.34 0.00 0.00 178.44 177.91 2b36 h PRO 136 N 0.06 0.94 -1.23 5.25 0.11 -1.77 -1.49 132.00 133.87 2b36 h PRO 136 Ca 0.43 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.92 2b36 h PRO 136 Cb 0.75 -0.21 -0.24 0.00 0.11 0.00 0.00 31.00 31.41 2b36 h PRO 136 CO -0.74 0.62 0.73 0.44 -0.21 0.00 0.00 178.00 178.84 2b36 n ILE 137 N -4.63 3.36 -4.94 4.15 -5.35 0.15 -4.94 119.36 107.16 2b36 n ILE 137 Ca 0.19 -2.59 -0.30 0.00 -0.27 0.00 0.00 62.75 59.78 2b36 n ILE 137 Cb 0.38 -1.23 -0.15 0.00 -1.74 0.00 0.00 39.64 36.90 2b36 n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2b36 s MET 138 N -3.16 1.82 0.18 6.28 -1.94 -0.56 -0.85 119.30 121.07 2b36 s MET 138 Ca 0.54 -1.09 -0.23 0.00 -1.71 0.00 0.00 55.69 53.19 2b36 s MET 138 Cb 0.42 -1.98 -0.08 0.00 2.01 0.00 0.00 34.83 35.20 2b36 s MET 138 CO -0.03 0.51 0.75 -0.80 -0.01 0.00 0.00 175.02 175.45 2b36 s ASN 139 N -1.18 7.27 0.33 3.03 0.02 0.14 -4.88 114.94 119.67 2b36 s ASN 139 Ca 0.12 1.56 -0.26 0.00 -1.02 0.00 0.00 52.86 53.26 2b36 s ASN 139 Cb -0.10 -2.47 -0.14 0.00 0.02 0.00 0.00 41.25 38.56 2b36 s ASN 139 CO 0.02 0.15 0.83 -2.65 0.02 0.00 0.00 177.10 175.47 2b36 n PRO 140 N 1.31 0.98 -0.96 -0.60 -0.02 -1.25 -0.34 135.00 134.12 2b36 n PRO 140 Ca -0.05 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2b36 n PRO 140 Cb 0.50 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2b36 n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b36 n GLY 141 N 1.45 1.05 3.62 -1.23 0.00 0.32 -4.99 105.19 105.41 2b36 n GLY 141 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2b36 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b36 s GLY 142 N -2.00 1.56 -0.02 -0.02 0.00 0.54 -4.80 107.32 102.59 2b36 s GLY 142 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2b36 s GLY 142 CO 0.00 0.38 0.02 -0.45 0.00 0.00 0.00 173.10 173.06 2b36 s SER 143 N -3.13 0.12 -0.20 1.64 0.15 -0.06 -1.51 113.70 110.71 2b36 s SER 143 Ca 0.66 0.03 -0.02 0.00 0.70 0.00 0.00 55.95 57.32 2b36 s SER 143 Cb -0.21 -0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2b36 s SER 143 CO 0.60 -0.11 -0.09 -0.63 1.20 0.00 0.00 173.24 174.20 2b36 s ILE 144 N 0.97 3.02 -0.04 6.45 1.01 -0.02 -1.14 121.20 131.45 2b36 s ILE 144 Ca -0.08 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2b36 s ILE 144 Cb -0.12 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 40.02 2b36 s ILE 144 CO -0.03 0.47 -0.10 0.54 0.00 0.00 0.00 174.94 175.83 2b36 s VAL 145 N 1.24 0.86 0.36 2.92 0.11 -0.48 -0.15 120.40 125.27 2b36 s VAL 145 Ca 0.03 -0.38 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 2b36 s VAL 145 Cb -0.14 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 2b36 s VAL 145 CO -0.04 0.27 0.22 -0.83 -3.33 0.00 0.00 175.10 171.40 2b36 s GLY 146 N 0.34 2.00 -0.06 6.54 0.00 0.12 -2.09 107.32 114.16 2b36 s GLY 146 Ca -0.06 -1.84 -0.10 0.00 0.00 0.00 0.00 44.72 42.72 2b36 s GLY 146 CO 0.01 -1.73 0.26 1.06 0.00 0.00 0.00 173.10 172.70 2b36 s MET 147 N -3.94 3.64 0.21 2.90 -1.94 -1.00 0.10 119.30 119.27 2b36 s MET 147 Ca 0.41 0.09 -0.00 0.00 -1.71 0.00 0.00 55.69 54.48 2b36 s MET 147 Cb -0.02 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.58 2b36 s MET 147 CO 0.24 0.74 0.11 0.34 -0.01 0.00 0.00 175.02 176.45 2b36 s ASP 148 N -1.09 0.42 -0.17 3.03 2.15 0.11 -4.85 116.67 116.27 2b36 s ASP 148 Ca 0.19 -1.37 -0.04 0.00 0.43 0.00 0.00 52.55 51.76 2b36 s ASP 148 Cb -0.14 0.32 0.08 0.00 -0.30 0.00 0.00 42.92 42.88 2b36 s ASP 148 CO 0.08 -0.80 0.27 0.12 -0.17 0.00 0.00 175.17 174.68 2b36 s PHE 149 N -4.05 -0.46 -0.43 -5.34 2.19 -1.26 -2.40 117.98 106.24 2b36 s PHE 149 Ca 0.37 0.77 -0.41 0.00 0.33 0.00 0.00 56.93 57.99 2b36 s PHE 149 Cb 0.07 -0.10 -0.17 0.00 -1.31 0.00 0.00 43.02 41.51 2b36 s PHE 149 CO 0.11 -0.48 2.04 -3.47 1.83 0.00 0.00 175.22 175.26 2b36 n ASP 150 N 5.35 1.40 -1.34 6.13 2.03 -1.26 -4.82 116.55 124.03 2b36 n ASP 150 Ca -0.06 0.71 0.11 0.00 0.52 0.00 0.00 54.79 56.07 2b36 n ASP 150 Cb 0.50 -1.03 0.32 0.00 -0.72 0.00 0.00 41.12 40.18 2b36 n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2b36 n PRO 151 N 7.03 2.97 -0.28 -0.67 -0.04 -1.26 -4.67 135.00 138.08 2b36 n PRO 151 Ca 0.45 -2.67 0.23 0.00 -0.04 0.00 0.00 63.50 61.47 2b36 n PRO 151 Cb 0.05 -1.62 0.54 0.00 -0.04 0.00 0.00 33.50 32.44 2b36 n PRO 151 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2b36 h SER 152 N 4.02 0.37 -4.18 3.54 0.02 -1.94 -3.40 113.55 111.99 2b36 h SER 152 Ca 0.00 0.06 -0.52 0.00 -0.84 0.00 0.00 61.79 60.48 2b36 h SER 152 Cb 1.08 -0.01 -0.30 0.00 0.14 0.00 0.00 62.40 63.31 2b36 h SER 152 CO 0.05 0.11 -0.82 -0.13 -1.14 0.00 0.00 176.83 174.90 2b36 s ARG 153 N -5.40 1.37 1.18 3.45 0.52 -1.26 -5.14 118.95 113.67 2b36 s ARG 153 Ca -0.08 -0.56 -0.18 0.00 -0.52 0.00 0.00 55.73 54.39 2b36 s ARG 153 Cb 0.24 -1.29 0.28 0.00 0.52 0.00 0.00 34.95 34.69 2b36 s ARG 153 CO 0.79 0.31 1.08 0.00 0.02 0.00 0.00 175.30 177.51 2b36 s ALA 154 N -0.27 0.47 0.13 2.13 0.00 -1.26 -5.08 121.76 117.89 2b36 s ALA 154 Ca 0.04 -0.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 2b36 s ALA 154 Cb -0.07 -2.96 0.07 0.00 0.00 0.00 0.00 23.12 20.17 2b36 s ALA 154 CO -0.00 -3.56 1.03 0.00 0.00 0.00 0.00 175.76 173.23 2b36 s MET 155 N -5.23 1.10 0.91 0.00 0.23 -1.26 -5.13 119.30 109.92 2b36 s MET 155 Ca 0.69 -0.63 -0.12 0.00 -1.03 0.00 0.00 55.69 54.60 2b36 s MET 155 Cb -0.13 0.36 0.14 0.00 -1.53 0.00 0.00 34.83 33.67 2b36 s MET 155 CO 0.57 -0.51 1.09 -1.25 -2.03 0.00 0.00 175.02 172.90 2b36 s PRO 156 N -2.93 1.13 0.00 3.16 0.04 -1.26 -4.23 135.00 130.91 2b36 s PRO 156 Ca 0.15 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2b36 s PRO 156 Cb -0.01 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2b36 s PRO 156 CO 0.02 -2.30 0.00 0.00 0.04 0.00 0.00 177.00 174.76 2b36 n ALA 157 N -3.91 0.00 -0.21 8.56 0.00 -1.25 -4.29 120.51 119.41 2b36 n ALA 157 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.55 2b36 n ALA 157 Cb 0.56 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.32 2b36 n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2b36 h TYR 158 N 0.00 0.86 0.00 0.00 3.20 -1.85 0.60 116.97 119.77 2b36 h TYR 158 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2b36 h TYR 158 Cb 0.00 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.99 2b36 h TYR 158 CO 0.00 0.48 0.00 0.09 -1.64 0.00 0.00 178.16 177.09 2b36 n ASN 159 N -4.47 0.00 0.32 -2.11 3.02 -1.26 -0.61 115.26 110.15 2b36 n ASN 159 Ca 0.10 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.87 2b36 n ASN 159 Cb 0.17 0.00 1.09 0.00 -0.61 0.00 0.00 39.78 40.43 2b36 n ASN 159 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2b36 h TRP 160 N 0.00 0.00 -0.37 3.10 4.06 -1.46 -1.12 115.95 120.15 2b36 h TRP 160 Ca 0.00 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 2b36 h TRP 160 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2b36 h TRP 160 CO 0.00 0.00 -0.37 1.98 -3.56 0.00 0.00 178.44 176.50 2b36 h MET 161 N 0.00 0.88 -0.78 0.49 4.05 -0.99 -1.38 114.93 117.21 2b36 h MET 161 Ca -0.00 -0.45 0.10 0.00 -0.28 0.00 0.00 59.70 59.07 2b36 h MET 161 Cb 0.12 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.88 2b36 h MET 161 CO 0.00 1.10 0.51 1.15 0.23 0.00 0.00 176.91 179.90 2b36 h THR 162 N 0.73 0.94 -0.01 -0.77 2.02 -1.17 0.50 112.91 115.15 2b36 h THR 162 Ca 0.06 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 66.87 2b36 h THR 162 Cb 0.94 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2b36 h THR 162 CO 0.09 0.13 -0.63 0.58 0.37 0.00 0.00 175.52 176.05 2b36 h VAL 163 N 0.70 1.45 -0.04 3.16 2.07 -1.35 -1.87 116.25 120.38 2b36 h VAL 163 Ca 0.36 -2.16 -0.19 0.00 0.82 0.00 0.00 66.70 65.53 2b36 h VAL 163 Cb 0.46 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2b36 h VAL 163 CO -0.14 0.62 -0.79 0.00 0.02 0.00 0.00 177.57 177.28 2b36 h ALA 164 N 1.34 0.57 -0.22 1.67 0.00 0.20 -2.65 119.26 120.17 2b36 h ALA 164 Ca -0.01 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 2b36 h ALA 164 Cb 1.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2b36 h ALA 164 CO 0.08 0.81 -0.52 0.87 0.00 0.00 0.00 179.25 180.50 2b36 h LYS 165 N 0.20 0.62 -0.35 0.00 1.79 0.11 -1.01 116.57 117.92 2b36 h LYS 165 Ca -0.04 -0.37 -0.04 0.00 -2.18 0.00 0.00 60.65 58.02 2b36 h LYS 165 Cb 1.38 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.05 2b36 h LYS 165 CO 0.13 0.98 0.05 0.77 -1.08 0.00 0.00 179.45 180.30 2b36 h SER 166 N 0.48 0.49 -0.21 0.86 0.02 -1.34 -1.48 113.55 112.37 2b36 h SER 166 Ca 0.02 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2b36 h SER 166 Cb 1.06 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 2b36 h SER 166 CO 0.10 0.52 -0.15 0.00 -1.14 0.00 0.00 176.83 176.17 2b36 h ALA 167 N 1.54 0.30 -0.99 3.77 0.00 -1.18 -3.03 119.26 119.68 2b36 h ALA 167 Ca 0.12 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2b36 h ALA 167 Cb 0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2b36 h ALA 167 CO 0.00 0.19 0.64 1.25 0.00 0.00 0.00 179.25 181.34 2b36 h LEU 168 N 0.17 1.05 -0.93 0.00 6.46 -0.45 0.62 115.31 122.22 2b36 h LEU 168 Ca 0.04 -0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 2b36 h LEU 168 Cb 0.67 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2b36 h LEU 168 CO 0.04 0.70 -0.17 -0.33 -0.62 0.00 0.00 178.44 178.06 2b36 h GLU 169 N 1.21 0.59 0.05 1.25 5.08 -1.35 0.35 114.58 121.75 2b36 h GLU 169 Ca 0.41 -0.20 -0.26 0.00 -1.00 0.00 0.00 59.36 58.31 2b36 h GLU 169 Cb 0.07 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2b36 h GLU 169 CO -0.14 0.73 -1.07 1.03 -1.00 0.00 0.00 179.01 178.56 2b36 h SER 170 N 0.53 0.67 -0.39 1.42 0.87 -1.04 -2.92 113.55 112.70 2b36 h SER 170 Ca 0.09 -0.58 -0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2b36 h SER 170 Cb 0.60 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2b36 h SER 170 CO 0.04 1.39 0.24 0.58 -0.53 0.00 0.00 176.83 178.55 2b36 h VAL 171 N 0.25 1.12 -0.89 2.23 2.07 0.59 -3.03 116.25 118.58 2b36 h VAL 171 Ca -0.12 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.21 2b36 h VAL 171 Cb 1.73 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 2b36 h VAL 171 CO 0.19 0.12 0.58 -1.13 0.02 0.00 0.00 177.57 177.35 2b36 h ASN 172 N 0.51 0.88 -0.66 0.57 -1.24 -0.30 0.29 115.58 115.63 2b36 h ASN 172 Ca 0.14 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 2b36 h ASN 172 Cb -0.02 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 2b36 h ASN 172 CO -0.03 0.56 0.30 0.03 -1.29 0.00 0.00 177.43 177.00 2b36 h ARG 173 N 0.99 0.96 -0.20 6.67 3.08 -1.40 -1.82 114.38 122.67 2b36 h ARG 173 Ca 0.39 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 2b36 h ARG 173 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2b36 h ARG 173 CO -0.15 0.78 -0.05 0.74 -1.07 0.00 0.00 179.97 180.22 2b36 h PHE 174 N 0.92 0.44 -0.87 3.04 -1.00 -1.04 -2.91 116.94 115.52 2b36 h PHE 174 Ca 0.22 -0.10 0.18 0.00 2.81 0.00 0.00 57.97 61.09 2b36 h PHE 174 Cb 0.15 -0.11 -0.06 0.00 3.61 0.00 0.00 35.95 39.54 2b36 h PHE 174 CO 0.01 0.65 0.57 0.28 -1.61 0.00 0.00 178.31 178.20 2b36 h VAL 175 N 0.11 0.73 -0.76 -0.55 2.07 -0.40 0.43 116.25 117.87 2b36 h VAL 175 Ca 0.05 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2b36 h VAL 175 Cb 0.51 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2b36 h VAL 175 CO 0.02 0.08 0.41 0.00 0.02 0.00 0.00 177.57 178.10 2b36 h ALA 176 N 1.62 1.28 0.42 1.67 0.00 -1.14 0.25 119.26 123.37 2b36 h ALA 176 Ca 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2b36 h ALA 176 Cb 1.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2b36 h ALA 176 CO -0.17 0.58 -0.32 0.00 0.00 0.00 0.00 179.25 179.33 2b36 h ARG 177 N 1.07 -0.71 -0.26 0.00 3.08 -0.02 -0.71 114.38 116.82 2b36 h ARG 177 Ca 0.27 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.39 2b36 h ARG 177 Cb 0.04 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2b36 h ARG 177 CO -0.04 -0.47 0.13 0.93 -1.07 0.00 0.00 179.97 179.44 2b36 h GLU 178 N -0.74 0.26 -0.01 0.04 4.39 -1.36 -2.77 114.58 114.40 2b36 h GLU 178 Ca -0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2b36 h GLU 178 Cb 0.63 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2b36 h GLU 178 CO 0.00 0.17 0.01 0.00 -1.16 0.00 0.00 179.01 178.03 2b36 h ALA 179 N 1.14 1.85 -0.37 3.43 0.00 -0.33 -2.21 119.26 122.77 2b36 h ALA 179 Ca 0.11 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2b36 h ALA 179 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2b36 h ALA 179 CO -0.08 -0.01 -0.14 0.78 0.00 0.00 0.00 179.25 179.80 2b36 h GLY 180 N 0.00 0.72 1.63 0.00 0.00 -0.82 0.17 103.07 104.76 2b36 h GLY 180 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.81 2b36 h GLY 180 CO -0.00 0.49 0.17 0.50 0.00 0.00 0.00 176.54 177.71 2b36 h LYS 181 N 0.60 0.00 -0.02 4.80 1.57 -1.43 0.23 116.57 122.33 2b36 h LYS 181 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2b36 h LYS 181 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2b36 h LYS 181 CO 0.04 0.00 -0.28 0.66 -0.57 0.00 0.00 179.45 179.29 2b36 n TYR 182 N -3.17 0.00 -2.60 -1.35 4.02 -0.70 -4.97 117.16 108.39 2b36 n TYR 182 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.79 2b36 n TYR 182 Cb 0.24 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.58 2b36 n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2b36 n GLY 183 N 1.23 0.27 3.47 2.72 0.00 0.82 -3.89 105.19 109.81 2b36 n GLY 183 Ca 0.09 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2b36 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b36 s VAL 184 N -2.83 2.95 0.28 1.61 1.01 0.50 0.12 120.40 124.03 2b36 s VAL 184 Ca 0.13 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2b36 s VAL 184 Cb -0.06 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2b36 s VAL 184 CO 0.16 0.42 0.48 -0.13 0.00 0.00 0.00 175.10 176.03 2b36 s ARG 185 N -1.21 3.52 -0.12 2.72 0.52 -0.57 -3.40 118.95 120.41 2b36 s ARG 185 Ca 0.14 -0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 55.02 2b36 s ARG 185 Cb -0.11 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.67 2b36 s ARG 185 CO 0.04 0.27 0.05 0.45 0.02 0.00 0.00 175.30 176.13 2b36 s SER 186 N -3.56 1.95 0.06 0.23 0.15 -1.25 -0.84 113.70 110.44 2b36 s SER 186 Ca 0.40 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.72 2b36 s SER 186 Cb -0.10 -0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 63.85 2b36 s SER 186 CO 0.32 -0.28 -0.06 0.20 1.20 0.00 0.00 173.24 174.62 2b36 s ASN 187 N 2.05 0.83 -0.08 5.45 0.01 0.79 0.32 114.94 124.33 2b36 s ASN 187 Ca 0.03 -0.82 0.01 0.00 -0.71 0.00 0.00 52.86 51.37 2b36 s ASN 187 Cb -0.14 0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.59 2b36 s ASN 187 CO -0.06 -0.40 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.27 2b36 s LEU 188 N -2.44 2.97 -0.28 0.60 1.02 -0.91 -0.71 118.68 118.94 2b36 s LEU 188 Ca 0.02 -0.13 -0.10 0.00 0.02 0.00 0.00 54.13 53.94 2b36 s LEU 188 Cb -0.00 -1.64 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 2b36 s LEU 188 CO -0.04 0.32 0.16 -0.69 0.02 0.00 0.00 176.35 176.11 2b36 s VAL 189 N -0.55 4.94 -0.44 -1.59 1.01 0.12 -0.73 120.40 123.15 2b36 s VAL 189 Ca 0.08 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2b36 s VAL 189 Cb -0.12 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2b36 s VAL 189 CO 0.02 0.23 0.50 0.00 0.00 0.00 0.00 175.10 175.85 2b36 s ALA 190 N 1.70 3.41 0.13 5.51 0.00 0.36 0.06 121.76 132.93 2b36 s ALA 190 Ca 0.06 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.53 2b36 s ALA 190 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2b36 s ALA 190 CO 0.08 -1.70 0.24 0.00 0.00 0.00 0.00 175.76 174.39 2b36 s ALA 191 N 2.31 3.92 1.07 0.00 0.00 -1.01 -0.40 121.76 127.65 2b36 s ALA 191 Ca 0.14 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 2b36 s ALA 191 Cb -0.17 -1.73 0.23 0.00 0.00 0.00 0.00 23.12 21.45 2b36 s ALA 191 CO 0.14 0.60 1.06 0.20 0.00 0.00 0.00 175.76 177.77 2b36 s GLY 192 N -3.04 1.57 0.27 0.00 0.00 -0.17 -4.69 107.32 101.26 2b36 s GLY 192 Ca 0.34 -0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.64 2b36 s GLY 192 CO 0.28 0.52 1.58 2.56 0.00 0.00 0.00 173.10 178.03 2b36 s PRO 193 N -4.67 4.15 -0.06 2.90 0.04 -1.26 -5.01 135.00 131.09 2b36 s PRO 193 Ca 0.67 2.52 0.03 0.00 0.04 0.00 0.00 61.00 64.26 2b36 s PRO 193 Cb -0.22 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.27 2b36 s PRO 193 CO 0.61 -0.60 -0.16 0.42 0.04 0.00 0.00 177.00 177.31 2b36 s ILE 194 N 0.14 1.38 0.07 0.56 -1.09 -1.26 -4.38 121.20 116.62 2b36 s ILE 194 Ca 0.64 -0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 58.11 2b36 s ILE 194 Cb -0.47 -1.22 -0.08 0.00 -1.58 0.00 0.00 42.46 39.11 2b36 s ILE 194 CO 0.45 0.41 1.64 -0.13 -1.23 0.00 0.00 174.94 176.07 2b36 s ARG 195 N 0.40 4.20 0.00 2.79 1.81 0.35 -5.05 118.95 123.45 2b36 s ARG 195 Ca -0.12 2.32 0.00 0.00 -1.72 0.00 0.00 55.73 56.21 2b36 s ARG 195 Cb -0.15 -3.56 0.00 0.00 -0.45 0.00 0.00 34.95 30.79 2b36 s ARG 195 CO 0.04 -0.72 0.00 2.41 -0.68 0.00 0.00 175.30 176.35 2b36 n THR 196 N 4.66 0.00 0.00 0.02 -1.04 -1.26 -4.90 114.28 111.76 2b36 n THR 196 Ca 0.16 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2b36 n THR 196 Cb 0.40 0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 2b36 n THR 196 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2b36 n LEU 217 N -0.45 0.00 -0.06 -4.42 7.94 -1.26 -4.95 117.00 113.79 2b36 n LEU 217 Ca 0.00 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.73 2b36 n LEU 217 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 2b36 n LEU 217 CO 0.00 0.00 0.03 -0.07 -1.11 0.00 0.00 177.39 176.24 2b36 h LEU 218 N 0.00 0.07 -1.83 -1.96 3.38 -2.04 -2.71 115.31 110.23 2b36 h LEU 218 Ca 0.00 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 57.10 2b36 h LEU 218 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2b36 h LEU 218 CO 0.00 1.23 -0.14 1.05 0.09 0.00 0.00 178.44 180.67 2b36 h GLU 219 N -0.89 0.00 0.02 1.13 4.11 -2.00 -1.84 114.58 115.12 2b36 h GLU 219 Ca -0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 2b36 h GLU 219 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2b36 h GLU 219 CO -0.04 0.14 -0.10 1.49 0.07 0.00 0.00 179.01 180.57 2b36 h GLU 220 N 0.00 0.04 0.00 1.06 4.81 -1.99 -3.30 114.58 115.20 2b36 h GLU 220 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2b36 h GLU 220 Cb 0.28 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2b36 h GLU 220 CO 0.02 1.02 0.00 0.78 -0.73 0.00 0.00 179.01 180.09 2b36 h GLY 221 N -0.91 0.00 0.73 1.92 0.00 -1.47 -3.01 103.07 100.33 2b36 h GLY 221 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2b36 h GLY 221 CO 0.02 0.00 -0.10 -0.25 0.00 0.00 0.00 176.54 176.21 2b36 h TRP 222 N 0.00 -0.26 0.00 5.60 2.91 -1.41 -0.95 115.95 121.84 2b36 h TRP 222 Ca 0.00 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 2b36 h TRP 222 Cb 0.31 0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.05 2b36 h TRP 222 CO 0.00 0.04 -0.01 0.22 -1.03 0.00 0.00 178.44 177.66 2b36 h ASP 223 N -0.55 0.00 0.00 2.65 3.58 -1.61 0.11 116.42 120.60 2b36 h ASP 223 Ca -0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2b36 h ASP 223 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2b36 h ASP 223 CO 0.05 0.01 -0.00 1.56 -2.88 0.00 0.00 179.24 177.97 2b36 h GLN 224 N 0.00 -0.00 -0.62 0.28 4.20 -1.42 -3.36 115.11 114.19 2b36 h GLN 224 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2b36 h GLN 224 Cb 0.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 2b36 h GLN 224 CO 0.00 0.90 0.38 0.00 -0.67 0.00 0.00 178.83 179.45 2b36 h ARG 225 N -0.96 0.74 -6.03 1.46 3.08 -0.81 -3.42 114.38 108.44 2b36 h ARG 225 Ca -0.00 -0.04 -0.61 0.00 0.07 0.00 0.00 59.98 59.40 2b36 h ARG 225 Cb 0.91 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2b36 h ARG 225 CO 0.00 0.49 1.44 0.00 -1.07 0.00 0.00 179.97 180.83 2b36 n ALA 226 N -2.29 1.56 0.25 0.04 0.00 0.34 -4.53 120.51 115.87 2b36 n ALA 226 Ca 0.06 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.47 2b36 n ALA 226 Cb 0.07 -2.80 0.73 0.00 0.00 0.00 0.00 19.45 17.46 2b36 n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2b36 h PRO 227 N 13.82 0.00 -0.72 0.00 0.11 -1.72 0.44 132.00 143.92 2b36 h PRO 227 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2b36 h PRO 227 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2b36 h PRO 227 CO 0.97 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 179.20 2b36 n ILE 228 N -4.28 1.23 -0.77 4.15 -5.35 -1.23 -5.08 119.36 108.04 2b36 n ILE 228 Ca -0.02 -1.05 0.10 0.00 -0.27 0.00 0.00 62.75 61.51 2b36 n ILE 228 Cb 0.14 0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 38.41 2b36 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b36 n GLY 229 N 1.54 -2.18 3.14 3.28 0.00 0.15 -4.98 105.19 106.14 2b36 n GLY 229 Ca 0.25 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 2b36 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2b36 s TRP 230 N -2.47 -0.54 -0.46 1.61 -0.11 -1.26 -4.51 118.94 111.19 2b36 s TRP 230 Ca 0.00 1.15 -0.14 0.00 1.22 0.00 0.00 56.10 58.34 2b36 s TRP 230 Cb 0.00 0.13 0.08 0.00 -1.50 0.00 0.00 33.47 32.18 2b36 s TRP 230 CO 0.00 -0.36 0.36 1.21 -4.62 0.00 0.00 176.95 173.54 2b36 s ASN 231 N 2.05 6.00 0.00 5.86 2.47 -1.26 -4.45 114.94 125.61 2b36 s ASN 231 Ca -0.04 -1.40 0.10 0.00 0.42 0.00 0.00 52.86 51.95 2b36 s ASN 231 Cb -0.11 -2.13 0.52 0.00 -1.45 0.00 0.00 41.25 38.08 2b36 s ASN 231 CO -0.11 -0.62 1.20 1.15 -3.72 0.00 0.00 177.10 175.00 2b36 n MET 232 N 5.12 0.16 0.00 0.43 0.00 -1.26 -2.02 117.12 119.54 2b36 n MET 232 Ca -0.12 0.18 0.11 0.00 0.00 0.00 0.00 57.70 57.87 2b36 n MET 232 Cb 0.43 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 32.17 2b36 n MET 232 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2b36 n LYS 233 N -1.27 1.06 -4.05 3.17 5.02 -1.26 -0.50 118.16 120.34 2b36 n LYS 233 Ca 0.05 -0.86 -0.33 0.00 -2.02 0.00 0.00 58.31 55.15 2b36 n LYS 233 Cb 0.08 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 2b36 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2b36 s ASP 234 N -2.53 4.12 0.00 4.39 2.15 -0.86 -4.93 116.67 119.01 2b36 s ASP 234 Ca 0.18 -1.09 0.22 0.00 0.43 0.00 0.00 52.55 52.29 2b36 s ASP 234 Cb 0.18 -1.57 0.59 0.00 -0.30 0.00 0.00 42.92 41.82 2b36 s ASP 234 CO 0.60 -0.13 1.47 0.00 -0.17 0.00 0.00 175.17 176.94 2b36 n ALA 235 N 4.54 2.48 0.20 3.66 0.00 -1.26 -4.46 120.51 125.67 2b36 n ALA 235 Ca -0.16 -0.71 -0.14 0.00 0.00 0.00 0.00 53.44 52.42 2b36 n ALA 235 Cb 0.45 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 2b36 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2b36 h THR 236 N 3.34 0.61 -0.98 0.00 2.02 -1.94 -2.69 112.91 113.26 2b36 h THR 236 Ca 0.00 -0.41 0.19 0.00 0.77 0.00 0.00 66.41 66.96 2b36 h THR 236 Cb 0.73 0.80 -0.11 0.00 -1.74 0.00 0.00 68.15 67.84 2b36 h THR 236 CO 0.00 0.08 0.57 -0.65 0.37 0.00 0.00 175.52 175.89 2b36 h PRO 237 N -0.75 0.69 -0.42 6.66 0.11 -2.00 0.17 132.00 136.45 2b36 h PRO 237 Ca -0.05 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 2b36 h PRO 237 Cb 0.51 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 2b36 h PRO 237 CO 0.09 0.46 0.12 0.28 -0.21 0.00 0.00 178.00 178.73 2b36 h VAL 238 N 0.71 1.22 -0.51 3.15 2.07 -1.85 -2.79 116.25 118.26 2b36 h VAL 238 Ca 0.57 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2b36 h VAL 238 Cb 0.91 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2b36 h VAL 238 CO -0.40 0.26 0.29 0.00 0.02 0.00 0.00 177.57 177.74 2b36 h ALA 239 N 0.97 1.56 -0.42 1.67 0.00 -0.36 -2.12 119.26 120.55 2b36 h ALA 239 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2b36 h ALA 239 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2b36 h ALA 239 CO -0.00 0.38 -0.05 0.87 0.00 0.00 0.00 179.25 180.45 2b36 h LYS 240 N 0.70 0.71 -0.43 0.00 1.57 -1.01 -2.09 116.57 116.01 2b36 h LYS 240 Ca 0.18 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 2b36 h LYS 240 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2b36 h LYS 240 CO -0.03 0.76 -0.27 1.15 -0.57 0.00 0.00 179.45 180.49 2b36 h THR 241 N 0.66 1.27 -0.80 -0.16 2.02 -1.15 0.91 112.91 115.66 2b36 h THR 241 Ca 0.12 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 2b36 h THR 241 Cb 0.48 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 2b36 h THR 241 CO 0.02 0.49 0.48 0.58 0.37 0.00 0.00 175.52 177.46 2b36 h VAL 242 N 0.79 1.22 -0.45 3.16 2.07 -1.28 -0.58 116.25 121.19 2b36 h VAL 242 Ca 0.09 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 2b36 h VAL 242 Cb 0.84 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2b36 h VAL 242 CO 0.07 0.24 -0.09 0.00 0.02 0.00 0.00 177.57 177.81 2b36 h ALA 244 N 1.18 1.14 -0.28 0.00 0.00 -0.44 0.23 119.26 121.10 2b36 h ALA 244 Ca 0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2b36 h ALA 244 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2b36 h ALA 244 CO 0.03 0.58 -0.30 -0.07 0.00 0.00 0.00 179.25 179.49 2b36 h LEU 245 N 0.87 0.59 -0.36 0.00 -0.00 -0.39 -2.76 115.31 113.27 2b36 h LEU 245 Ca 0.19 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 2b36 h LEU 245 Cb 0.32 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 40.81 2b36 h LEU 245 CO -0.00 0.86 -0.12 -0.07 -0.00 0.00 0.00 178.44 179.12 2b36 h LEU 246 N 0.49 0.00 0.00 1.67 3.38 -0.33 -3.46 115.31 117.07 2b36 h LEU 246 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2b36 h LEU 246 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2b36 h LEU 246 CO 0.06 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.17 2b36 n SER 247 N -3.15 -0.71 -0.70 -0.43 3.41 0.77 -4.74 113.62 108.07 2b36 n SER 247 Ca 0.03 -0.59 0.07 0.00 -0.26 0.00 0.00 58.87 58.12 2b36 n SER 247 Cb 0.52 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.61 2b36 n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2b36 n ASP 248 N -2.83 2.76 -1.54 4.04 8.00 -1.26 -4.53 116.55 121.19 2b36 n ASP 248 Ca 0.00 -1.83 0.02 0.00 0.71 0.00 0.00 54.79 53.68 2b36 n ASP 248 Cb 0.00 -0.18 0.26 0.00 -0.02 0.00 0.00 41.12 41.19 2b36 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2b36 n TRP 249 N 0.77 1.57 -2.73 1.24 7.02 -1.26 -3.99 117.44 120.05 2b36 n TRP 249 Ca 0.12 -0.65 -0.09 0.00 -1.02 0.00 0.00 57.50 55.86 2b36 n TRP 249 Cb 0.42 -0.45 0.07 0.00 -2.42 0.00 0.00 31.31 28.93 2b36 n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2b36 n LEU 250 N 0.27 -0.42 0.07 -0.99 4.77 -1.26 -5.02 117.00 114.43 2b36 n LEU 250 Ca 0.23 -3.72 0.12 0.00 -0.03 0.00 0.00 56.01 52.61 2b36 n LEU 250 Cb 0.98 0.33 0.46 0.00 -2.33 0.00 0.00 43.42 42.87 2b36 n LEU 250 CO 0.26 1.82 0.87 -0.81 -1.33 0.00 0.00 177.39 178.21 2b36 n PRO 251 N -0.22 0.15 -0.21 3.23 -0.04 -1.26 -3.27 135.00 133.39 2b36 n PRO 251 Ca 0.05 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 2b36 n PRO 251 Cb 0.81 -1.71 0.18 0.00 -0.04 0.00 0.00 33.50 32.74 2b36 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b36 n ALA 252 N -1.68 2.22 -3.89 0.55 0.00 -1.26 -4.91 120.51 111.54 2b36 n ALA 252 Ca 0.05 -1.18 -0.34 0.00 0.00 0.00 0.00 53.44 51.97 2b36 n ALA 252 Cb 0.32 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 19.10 2b36 n ALA 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2b36 s THR 253 N -1.02 2.55 0.10 0.00 -1.32 -1.20 -5.09 115.64 109.65 2b36 s THR 253 Ca 0.28 -0.81 -0.10 0.00 -1.21 0.00 0.00 61.69 59.85 2b36 s THR 253 Cb 0.15 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 2b36 s THR 253 CO 0.19 0.47 0.24 0.28 -2.21 0.00 0.00 174.62 173.59 2b36 s THR 254 N 1.35 0.12 -1.55 5.08 -1.32 -1.26 -4.67 115.64 113.38 2b36 s THR 254 Ca 0.05 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 2b36 s THR 254 Cb -0.14 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 2b36 s THR 254 CO -0.09 -0.55 0.00 0.61 -2.21 0.00 0.00 174.62 172.38 2b36 n GLY 255 N -0.11 1.39 2.26 6.08 0.00 0.15 -4.92 105.19 110.05 2b36 n GLY 255 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 2b36 n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b36 n ASP 256 N -0.77 2.19 -3.74 1.61 -0.08 -1.24 -4.46 116.55 110.06 2b36 n ASP 256 Ca -0.15 -2.17 -0.24 0.00 -1.51 0.00 0.00 54.79 50.73 2b36 n ASP 256 Cb 0.52 0.02 -0.17 0.00 2.34 0.00 0.00 41.12 43.82 2b36 n ASP 256 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2b36 s ILE 257 N -1.71 0.35 -0.10 5.18 1.01 -1.26 -2.13 121.20 122.54 2b36 s ILE 257 Ca 0.15 -0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 2b36 s ILE 257 Cb -0.01 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 2b36 s ILE 257 CO 0.10 0.10 0.34 -0.63 0.00 0.00 0.00 174.94 174.85 2b36 s ILE 258 N 1.97 5.22 -0.28 2.92 1.09 0.09 -4.93 121.20 127.29 2b36 s ILE 258 Ca 0.03 0.67 -0.11 0.00 -1.10 0.00 0.00 60.65 60.14 2b36 s ILE 258 Cb -0.14 -3.66 -0.05 0.00 -1.06 0.00 0.00 42.46 37.55 2b36 s ILE 258 CO -0.06 0.47 0.19 -0.31 -0.10 0.00 0.00 174.94 175.13 2b36 s TYR 259 N -0.17 3.23 -0.78 3.97 1.51 -1.26 -0.48 117.35 123.37 2b36 s TYR 259 Ca 0.20 0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.43 2b36 s TYR 259 Cb -0.14 -2.37 0.19 0.00 -0.11 0.00 0.00 41.96 39.52 2b36 s TYR 259 CO 0.08 -0.14 0.61 0.00 -1.11 0.00 0.00 175.55 174.99 2b36 n ALA 260 N 4.99 3.58 -1.80 3.71 0.00 0.46 -4.80 120.51 126.65 2b36 n ALA 260 Ca -0.14 -4.57 0.00 0.00 0.00 0.00 0.00 53.44 48.73 2b36 n ALA 260 Cb 0.52 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2b36 n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2b36 n ASP 261 N 2.03 0.00 -1.26 0.00 5.75 -1.26 -1.00 116.55 120.81 2b36 n ASP 261 Ca 0.21 -1.78 -0.16 0.00 -0.01 0.00 0.00 54.79 53.04 2b36 n ASP 261 Cb 0.36 -0.16 -0.07 0.00 -1.03 0.00 0.00 41.12 40.22 2b36 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b36 n GLY 262 N 0.00 1.63 2.22 6.12 0.00 -1.26 -2.65 105.19 111.25 2b36 n GLY 262 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2b36 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b36 n GLY 263 N -0.75 0.60 0.37 -0.02 0.00 -1.26 -2.39 105.19 101.73 2b36 n GLY 263 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.87 2b36 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b36 h ALA 264 N 0.00 1.41 0.00 4.61 0.00 -1.74 -0.40 119.26 123.13 2b36 h ALA 264 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2b36 h ALA 264 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2b36 h ALA 264 CO 0.00 0.48 0.00 -2.39 0.00 0.00 0.00 179.25 177.34 2b36 n HIS 265 N -4.46 0.00 0.48 0.00 1.44 -1.26 -2.36 115.22 109.06 2b36 n HIS 265 Ca 0.14 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.95 2b36 n HIS 265 Cb 0.13 -0.43 0.14 0.00 0.12 0.00 0.00 29.99 29.95 2b36 n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2b36 n THR 266 N -1.43 0.31 -4.67 0.61 -2.24 -0.16 -4.92 114.28 101.78 2b36 n THR 266 Ca 0.04 -0.65 -0.28 0.00 -2.27 0.00 0.00 64.05 60.88 2b36 n THR 266 Cb 0.12 1.14 -0.14 0.00 -2.10 0.00 0.00 70.33 69.35 2b36 n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2b36 s GLN 267 N -1.47 1.52 -0.13 -0.78 -1.52 -1.00 -5.07 119.66 111.21 2b36 s GLN 267 Ca 0.29 -1.09 -0.09 0.00 -1.95 0.00 0.00 55.36 52.52 2b36 s GLN 267 Cb 0.18 -1.73 -0.03 0.00 -0.22 0.00 0.00 33.01 31.21 2b36 s GLN 267 CO 0.26 0.44 -0.18 -0.11 -0.25 0.00 0.00 175.29 175.45 2b36 n LEU 268 N 1.60 1.63 -0.61 2.90 7.94 -1.26 -4.97 117.00 124.22 2b36 n LEU 268 Ca -0.17 0.55 0.08 0.00 -1.11 0.00 0.00 56.01 55.36 2b36 n LEU 268 Cb 0.53 -0.82 0.06 0.00 0.53 0.00 0.00 43.42 43.73 2b36 n LEU 268 CO 0.23 -0.45 0.49 -0.11 -1.11 0.00 0.00 177.39 176.44