#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p44 s GLY 3 N 0.00 1.66 0.03 1.09 0.00 -1.26 -4.99 107.32 103.86 1p44 s GLY 3 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.80 1p44 s GLY 3 CO 0.00 0.54 1.09 1.04 0.00 0.00 0.00 173.10 175.76 1p44 n LEU 4 N -3.61 -0.21 -1.20 0.66 4.77 -1.18 -2.55 117.00 113.68 1p44 n LEU 4 Ca 0.08 1.13 -0.03 0.00 -0.03 0.00 0.00 56.01 57.17 1p44 n LEU 4 Cb 0.54 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1p44 n LEU 4 CO 0.54 -0.68 0.65 0.18 -1.33 0.00 0.00 177.39 176.75 1p44 n LEU 5 N -3.44 3.71 -4.76 2.23 7.99 -0.72 -4.92 117.00 117.10 1p44 n LEU 5 Ca 0.00 -1.85 -0.41 0.00 -0.01 0.00 0.00 56.01 53.74 1p44 n LEU 5 Cb 0.05 -0.62 -0.02 0.00 -0.11 0.00 0.00 43.42 42.73 1p44 n LEU 5 CO -0.03 0.63 1.06 -0.62 -1.51 0.00 0.00 177.39 176.92 1p44 s ASP 6 N 0.87 6.67 -1.30 -1.43 3.68 -0.69 -1.48 116.67 122.99 1p44 s ASP 6 Ca 0.06 2.71 0.00 0.00 2.13 0.00 0.00 52.55 57.45 1p44 s ASP 6 Cb 0.05 -2.64 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 1p44 s ASP 6 CO 0.01 -0.66 0.00 0.61 0.13 0.00 0.00 175.17 175.26 1p44 n GLY 7 N 1.56 1.28 3.36 2.66 0.00 -0.11 -4.89 105.19 109.05 1p44 n GLY 7 Ca 0.04 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1p44 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p44 s LYS 8 N -2.93 3.43 -0.17 1.61 1.02 -1.03 -4.96 119.74 116.71 1p44 s LYS 8 Ca 0.00 -0.62 -0.23 0.00 0.02 0.00 0.00 55.97 55.14 1p44 s LYS 8 Cb 0.00 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1p44 s LYS 8 CO 0.00 -0.00 0.70 1.03 -0.92 0.00 0.00 175.35 176.16 1p44 s ARG 9 N 0.96 4.27 -0.03 1.68 0.52 -1.26 -0.89 118.95 124.21 1p44 s ARG 9 Ca -0.01 0.78 0.01 0.00 -0.52 0.00 0.00 55.73 55.99 1p44 s ARG 9 Cb -0.15 -3.56 0.02 0.00 0.52 0.00 0.00 34.95 31.78 1p44 s ARG 9 CO 0.00 -0.23 -0.03 0.42 0.02 0.00 0.00 175.30 175.48 1p44 s ILE 10 N 1.85 0.35 -0.17 1.52 1.01 -0.43 0.66 121.20 125.99 1p44 s ILE 10 Ca 0.33 -0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.77 1p44 s ILE 10 Cb -0.16 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1p44 s ILE 10 CO 0.12 0.16 0.33 -0.22 0.00 0.00 0.00 174.94 175.33 1p44 s LEU 11 N 0.68 4.22 0.08 2.97 0.20 -0.94 -2.53 118.68 123.36 1p44 s LEU 11 Ca -0.08 0.53 0.09 0.00 0.69 0.00 0.00 54.13 55.36 1p44 s LEU 11 Cb -0.11 -2.43 -0.03 0.00 -0.43 0.00 0.00 46.19 43.19 1p44 s LEU 11 CO -0.01 0.05 -0.25 -0.69 -0.29 0.00 0.00 176.35 175.17 1p44 s VAL 12 N 0.69 2.35 0.03 1.68 1.01 -0.93 0.67 120.40 125.89 1p44 s VAL 12 Ca 0.18 -1.49 -0.00 0.00 0.00 0.00 0.00 61.98 60.67 1p44 s VAL 12 Cb -0.14 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1p44 s VAL 12 CO 0.05 0.25 -0.03 -0.94 0.00 0.00 0.00 175.10 174.43 1p44 s SER 13 N -1.61 0.39 0.00 3.32 1.04 -1.16 -2.24 113.70 113.43 1p44 s SER 13 Ca 0.13 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1p44 s SER 13 Cb -0.10 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1p44 s SER 13 CO 0.05 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1p44 n GLY 14 N 1.03 0.65 3.65 7.32 0.00 -1.26 -3.17 105.19 113.41 1p44 n GLY 14 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1p44 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p44 s ILE 15 N -2.00 3.51 0.00 -0.61 1.01 -1.26 -4.75 121.20 117.10 1p44 s ILE 15 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1p44 s ILE 15 Cb 0.00 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1p44 s ILE 15 CO 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 174.94 174.83 1p44 n ILE 16 N 5.85 0.00 -3.76 2.92 0.13 -1.26 -4.78 119.36 118.46 1p44 n ILE 16 Ca 0.19 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.84 1p44 n ILE 16 Cb 0.43 -0.72 0.00 0.00 -0.84 0.00 0.00 39.64 38.51 1p44 n ILE 16 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1p44 n THR 17 N -1.66 0.00 0.63 9.51 -2.24 -1.26 -4.66 114.28 114.60 1p44 n THR 17 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1p44 n THR 17 Cb 0.37 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1p44 n THR 17 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1p44 n ASP 18 N -2.35 0.63 0.05 3.42 3.85 -1.26 -4.01 116.55 116.88 1p44 n ASP 18 Ca 0.00 -0.24 0.06 0.00 -0.71 0.00 0.00 54.79 53.90 1p44 n ASP 18 Cb 0.00 0.74 -0.06 0.00 -1.35 0.00 0.00 41.12 40.45 1p44 n ASP 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1p44 n SER 19 N -1.90 0.69 -4.72 -1.12 3.41 -1.26 -4.68 113.62 104.03 1p44 n SER 19 Ca 0.02 0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 58.51 1p44 n SER 19 Cb 0.42 0.59 0.01 0.00 -0.26 0.00 0.00 64.21 64.97 1p44 n SER 19 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1p44 n SER 20 N -2.70 2.90 -0.02 4.04 3.41 -1.26 -4.74 113.62 115.25 1p44 n SER 20 Ca -0.06 1.14 0.17 0.00 -0.26 0.00 0.00 58.87 59.87 1p44 n SER 20 Cb 0.69 -1.53 0.63 0.00 -0.26 0.00 0.00 64.21 63.73 1p44 n SER 20 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1p44 h ILE 21 N 2.32 0.79 -0.33 -1.33 2.04 -1.91 -2.10 117.51 116.99 1p44 h ILE 21 Ca -0.48 -0.05 -0.15 0.00 1.00 0.00 0.00 64.86 65.18 1p44 h ILE 21 Cb 1.28 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1p44 h ILE 21 CO 0.61 0.02 -0.37 0.00 0.00 0.00 0.00 178.15 178.41 1p44 h ALA 22 N 1.74 0.71 -0.94 1.87 0.00 -1.86 -0.36 119.26 120.42 1p44 h ALA 22 Ca 0.25 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1p44 h ALA 22 Cb 0.82 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1p44 h ALA 22 CO -0.03 0.66 0.56 0.35 0.00 0.00 0.00 179.25 180.79 1p44 h PHE 23 N 0.64 1.01 0.01 0.00 3.04 -1.64 0.48 116.94 120.49 1p44 h PHE 23 Ca 0.06 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.83 1p44 h PHE 23 Cb 0.93 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 1p44 h PHE 23 CO 0.05 0.37 -0.91 0.45 -2.02 0.00 0.00 178.31 176.25 1p44 h HIS 24 N 0.87 0.32 0.00 0.41 3.86 -1.51 -1.17 115.15 117.93 1p44 h HIS 24 Ca 0.47 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 59.45 1p44 h HIS 24 Cb 0.52 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1p44 h HIS 24 CO -0.03 1.01 -0.25 0.82 0.86 0.00 0.00 177.93 180.34 1p44 h ILE 25 N 0.11 0.76 0.00 2.45 2.04 0.90 -1.48 117.51 122.29 1p44 h ILE 25 Ca -0.05 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.67 1p44 h ILE 25 Cb 1.55 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1p44 h ILE 25 CO 0.14 0.24 -1.17 0.00 0.00 0.00 0.00 178.15 177.36 1p44 h ALA 26 N 1.75 0.62 0.63 1.87 0.00 -0.03 -2.28 119.26 121.83 1p44 h ALA 26 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1p44 h ALA 26 Cb 0.62 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1p44 h ALA 26 CO 0.03 0.61 -0.30 -0.09 0.00 0.00 0.00 179.25 179.50 1p44 h ARG 27 N 0.00 -0.81 -0.74 0.00 2.43 -0.64 -0.40 114.38 114.23 1p44 h ARG 27 Ca -0.10 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1p44 h ARG 27 Cb 1.39 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 31.09 1p44 h ARG 27 CO 0.03 -0.53 0.46 0.28 -1.51 0.00 0.00 179.97 178.70 1p44 h VAL 28 N -1.21 1.21 -0.29 0.20 2.07 -1.45 0.51 116.25 117.29 1p44 h VAL 28 Ca -0.09 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1p44 h VAL 28 Cb 0.66 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1p44 h VAL 28 CO 0.14 0.21 -0.22 0.00 0.02 0.00 0.00 177.57 177.73 1p44 h ALA 29 N 1.24 -0.04 -0.11 1.67 0.00 -1.37 0.20 119.26 120.86 1p44 h ALA 29 Ca 0.27 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1p44 h ALA 29 Cb -0.05 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1p44 h ALA 29 CO -0.05 -0.62 0.05 1.96 0.00 0.00 0.00 179.25 180.59 1p44 h GLN 30 N -0.19 0.17 -0.91 0.00 4.20 -0.60 -2.19 115.11 115.58 1p44 h GLN 30 Ca 0.15 -0.03 0.26 0.00 0.06 0.00 0.00 58.65 59.10 1p44 h GLN 30 Cb 0.43 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 1p44 h GLN 30 CO -0.41 0.25 0.68 0.93 -0.67 0.00 0.00 178.83 179.61 1p44 h GLU 31 N 0.04 0.00 -0.55 1.46 5.08 0.21 -0.57 114.58 120.24 1p44 h GLU 31 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1p44 h GLU 31 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1p44 h GLU 31 CO -0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1p44 n GLN 32 N -4.18 2.48 -0.21 2.33 1.13 0.60 -4.82 117.38 114.71 1p44 n GLN 32 Ca 0.19 -1.91 0.00 0.00 -1.94 0.00 0.00 57.00 53.34 1p44 n GLN 32 Cb 1.00 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.83 1p44 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p44 n GLY 33 N 1.15 0.89 3.83 1.08 0.00 -0.22 -1.69 105.19 110.22 1p44 n GLY 33 Ca 0.18 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1p44 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 s ALA 34 N -2.00 3.69 -0.03 4.61 0.00 -0.55 -0.94 121.76 126.54 1p44 s ALA 34 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 1p44 s ALA 34 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 1p44 s ALA 34 CO 0.00 0.45 0.48 -0.65 0.00 0.00 0.00 175.76 176.03 1p44 s GLN 35 N -0.93 4.16 0.39 0.00 -0.21 -0.07 -4.37 119.66 118.63 1p44 s GLN 35 Ca 0.23 0.51 0.08 0.00 0.02 0.00 0.00 55.36 56.20 1p44 s GLN 35 Cb -0.16 -3.31 -0.07 0.00 1.00 0.00 0.00 33.01 30.46 1p44 s GLN 35 CO 0.13 0.46 0.03 -0.51 -2.12 0.00 0.00 175.29 173.28 1p44 s LEU 36 N -0.39 2.92 -0.05 2.90 1.43 -1.26 -1.31 118.68 122.92 1p44 s LEU 36 Ca 0.26 -1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.09 1p44 s LEU 36 Cb -0.17 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 44.99 1p44 s LEU 36 CO 0.13 -0.41 0.12 -0.69 0.23 0.00 0.00 176.35 175.74 1p44 s VAL 37 N -2.65 -0.03 0.24 -1.59 1.01 -1.05 -4.33 120.40 112.00 1p44 s VAL 37 Ca 0.36 0.11 0.12 0.00 0.00 0.00 0.00 61.98 62.57 1p44 s VAL 37 Cb 0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 1p44 s VAL 37 CO 0.19 0.05 -0.20 -0.76 0.00 0.00 0.00 175.10 174.37 1p44 s LEU 38 N 0.72 2.57 0.06 3.92 1.43 -0.13 -2.20 118.68 125.04 1p44 s LEU 38 Ca -0.05 -0.93 0.07 0.00 -1.03 0.00 0.00 54.13 52.18 1p44 s LEU 38 Cb -0.07 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 1p44 s LEU 38 CO -0.03 0.08 -0.18 0.42 0.23 0.00 0.00 176.35 176.86 1p44 s THR 39 N -2.12 1.47 0.13 5.49 -4.23 -0.95 -1.37 115.64 114.06 1p44 s THR 39 Ca 0.26 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1p44 s THR 39 Cb -0.06 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 1p44 s THR 39 CO 0.13 0.02 0.01 -0.83 -0.54 0.00 0.00 174.62 173.41 1p44 s GLY 40 N -1.46 0.98 -0.02 3.99 0.00 -0.45 -4.10 107.32 106.26 1p44 s GLY 40 Ca 0.04 -1.47 0.06 0.00 0.00 0.00 0.00 44.72 43.36 1p44 s GLY 40 CO 0.02 -1.43 -0.19 -0.12 0.00 0.00 0.00 173.10 171.39 1p44 s PHE 41 N -3.84 1.73 0.00 1.90 5.36 -1.26 -1.11 117.98 120.75 1p44 s PHE 41 Ca 0.20 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 1p44 s PHE 41 Cb 0.07 -1.12 0.00 0.00 -0.34 0.00 0.00 43.02 41.63 1p44 s PHE 41 CO 0.00 -0.04 0.00 -3.47 -1.46 0.00 0.00 175.22 170.25 1p44 n ASP 42 N 2.65 0.00 -4.57 6.13 2.03 -1.26 -4.43 116.55 117.11 1p44 n ASP 42 Ca -0.15 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.85 1p44 n ASP 42 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.89 1p44 n ASP 42 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1p44 s ARG 43 N 0.00 2.84 0.17 -0.67 0.52 -1.26 -4.75 118.95 115.80 1p44 s ARG 43 Ca 0.00 -0.77 0.07 0.00 -0.52 0.00 0.00 55.73 54.51 1p44 s ARG 43 Cb 0.00 -5.19 -0.01 0.00 0.52 0.00 0.00 34.95 30.27 1p44 s ARG 43 CO 0.00 -3.21 1.39 -0.07 0.02 0.00 0.00 175.30 173.43 1p44 h LEU 44 N 16.50 0.07 -0.53 2.53 3.38 -1.96 -3.17 115.31 132.14 1p44 h LEU 44 Ca 0.17 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1p44 h LEU 44 Cb 0.98 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1p44 h LEU 44 CO 1.27 0.91 0.10 0.03 0.09 0.00 0.00 178.44 180.84 1p44 h ARG 45 N 0.03 0.22 0.00 1.13 2.47 -1.98 -1.04 114.38 115.21 1p44 h ARG 45 Ca -0.02 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1p44 h ARG 45 Cb 1.53 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.80 1p44 h ARG 45 CO 0.12 0.15 0.00 -0.11 0.56 0.00 0.00 179.97 180.69 1p44 n LEU 46 N -5.13 0.00 -0.23 3.04 7.94 -1.23 -2.84 117.00 118.55 1p44 n LEU 46 Ca 0.07 0.77 0.04 0.00 -1.11 0.00 0.00 56.01 55.78 1p44 n LEU 46 Cb 0.27 -0.27 0.10 0.00 0.53 0.00 0.00 43.42 44.05 1p44 n LEU 46 CO 0.19 -0.27 0.43 -0.38 -1.11 0.00 0.00 177.39 176.24 1p44 n ILE 47 N -1.32 -0.27 -0.16 1.96 5.41 -1.17 0.13 119.36 123.94 1p44 n ILE 47 Ca 0.00 1.45 -0.06 0.00 1.00 0.00 0.00 62.75 65.14 1p44 n ILE 47 Cb 0.00 -2.02 -0.00 0.00 -0.71 0.00 0.00 39.64 36.91 1p44 n ILE 47 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1p44 h GLN 48 N 0.00 -0.20 -0.25 0.38 -0.00 -1.16 0.27 115.11 114.15 1p44 h GLN 48 Ca 0.31 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.97 1p44 h GLN 48 Cb 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 1p44 h GLN 48 CO -0.65 -0.13 0.13 -0.09 0.00 0.00 0.00 178.83 178.09 1p44 h ARG 49 N -0.20 0.36 0.36 1.69 1.12 0.12 -2.72 114.38 115.11 1p44 h ARG 49 Ca 0.20 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 59.00 1p44 h ARG 49 Cb 0.54 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 1p44 h ARG 49 CO -0.61 0.35 -0.17 0.82 -3.11 0.00 0.00 179.97 177.25 1p44 h ILE 50 N 0.28 0.66 0.00 1.20 2.04 -0.70 -1.60 117.51 119.39 1p44 h ILE 50 Ca 0.09 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1p44 h ILE 50 Cb 0.10 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1p44 h ILE 50 CO -0.01 0.01 0.00 0.35 0.00 0.00 0.00 178.15 178.50 1p44 n THR 51 N -5.28 1.67 0.30 -0.27 -2.24 0.86 -0.80 114.28 108.52 1p44 n THR 51 Ca -0.10 0.42 0.15 0.00 -2.27 0.00 0.00 64.05 62.24 1p44 n THR 51 Cb 0.22 -1.41 0.52 0.00 -2.10 0.00 0.00 70.33 67.56 1p44 n THR 51 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1p44 h ASP 52 N 0.00 0.00 -0.31 3.42 1.82 -0.95 -3.02 116.42 117.37 1p44 h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1p44 h ASP 52 Cb 0.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.02 1p44 h ASP 52 CO 0.00 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.17 1p44 n ARG 53 N -2.94 1.73 -2.91 0.28 5.12 0.02 -4.90 116.66 113.07 1p44 n ARG 53 Ca 0.02 -1.13 -0.26 0.00 -1.93 0.00 0.00 57.85 54.55 1p44 n ARG 53 Cb 0.36 -1.25 -0.00 0.00 -1.16 0.00 0.00 32.46 30.41 1p44 n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1p44 s LEU 54 N -1.00 3.77 0.34 0.55 1.43 -1.14 -4.99 118.68 117.62 1p44 s LEU 54 Ca 0.21 0.75 0.11 0.00 -1.03 0.00 0.00 54.13 54.17 1p44 s LEU 54 Cb 0.11 -3.67 0.91 0.00 0.03 0.00 0.00 46.19 43.57 1p44 s LEU 54 CO 0.14 -0.48 1.75 1.55 0.23 0.00 0.00 176.35 179.54 1p44 h PRO 55 N 0.41 0.55 -4.94 1.29 0.13 -1.90 -3.43 132.00 124.11 1p44 h PRO 55 Ca -0.48 -0.03 -0.35 0.00 -0.87 0.00 0.00 66.00 64.26 1p44 h PRO 55 Cb 1.21 -0.12 -0.14 0.00 0.13 0.00 0.00 31.00 32.07 1p44 h PRO 55 CO 0.61 0.36 -0.63 0.00 -0.23 0.00 0.00 178.00 178.12 1p44 s ALA 56 N -5.72 1.73 -0.23 -0.56 0.00 -1.26 -5.13 121.76 110.59 1p44 s ALA 56 Ca -0.10 -1.81 -0.14 0.00 0.00 0.00 0.00 51.96 49.91 1p44 s ALA 56 Cb 0.26 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1p44 s ALA 56 CO 0.80 -0.38 0.32 0.15 0.00 0.00 0.00 175.76 176.65 1p44 s LYS 57 N -3.97 4.10 0.01 0.00 3.01 -1.26 -4.99 119.74 116.64 1p44 s LYS 57 Ca 0.33 0.01 0.07 0.00 -1.01 0.00 0.00 55.97 55.37 1p44 s LYS 57 Cb 0.07 -3.57 -0.02 0.00 -1.01 0.00 0.00 37.83 33.30 1p44 s LYS 57 CO 0.11 -0.07 -0.21 0.00 0.51 0.00 0.00 175.35 175.69 1p44 s ALA 58 N 1.42 1.79 0.64 5.17 0.00 -1.26 -4.93 121.76 124.59 1p44 s ALA 58 Ca 0.14 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1p44 s ALA 58 Cb -0.15 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1p44 s ALA 58 CO 0.07 0.43 1.17 -1.25 0.00 0.00 0.00 175.76 176.18 1p44 s PRO 59 N -0.76 2.78 -0.14 0.00 0.04 -1.26 -4.74 135.00 130.92 1p44 s PRO 59 Ca 0.08 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 1p44 s PRO 59 Cb -0.08 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1p44 s PRO 59 CO 0.00 -1.32 -0.14 -0.51 0.04 0.00 0.00 177.00 175.07 1p44 s LEU 60 N -4.49 2.64 0.17 -3.56 2.01 -1.26 -0.96 118.68 113.24 1p44 s LEU 60 Ca 0.73 -0.37 0.10 0.00 0.01 0.00 0.00 54.13 54.60 1p44 s LEU 60 Cb -0.27 -1.60 -0.04 0.00 0.01 0.00 0.00 46.19 44.29 1p44 s LEU 60 CO 0.37 0.14 -0.16 -0.76 1.01 0.00 0.00 176.35 176.96 1p44 s LEU 61 N 0.50 2.76 0.07 1.79 1.43 -0.47 -4.99 118.68 119.77 1p44 s LEU 61 Ca -0.09 -0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 52.17 1p44 s LEU 61 Cb -0.16 -1.49 -0.07 0.00 0.03 0.00 0.00 46.19 44.51 1p44 s LEU 61 CO 0.04 0.12 0.53 -0.70 0.23 0.00 0.00 176.35 176.58 1p44 s GLU 62 N -2.65 4.11 -0.24 1.70 2.12 -1.26 -1.34 118.70 121.13 1p44 s GLU 62 Ca 0.22 0.64 -0.04 0.00 0.36 0.00 0.00 54.97 56.15 1p44 s GLU 62 Cb -0.09 -3.18 0.13 0.00 0.26 0.00 0.00 34.13 31.25 1p44 s GLU 62 CO 0.13 0.62 0.44 -1.17 -0.54 0.00 0.00 175.26 174.74 1p44 s LEU 63 N -1.24 -0.79 -0.43 2.70 2.96 -0.27 -4.85 118.68 116.76 1p44 s LEU 63 Ca 0.29 0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 54.72 1p44 s LEU 63 Cb -0.18 1.40 0.10 0.00 0.50 0.00 0.00 46.19 48.01 1p44 s LEU 63 CO 0.18 -0.27 0.25 -0.62 -1.32 0.00 0.00 176.35 174.57 1p44 s ASP 64 N 2.63 5.46 0.56 3.68 3.68 -1.26 -4.35 116.67 127.07 1p44 s ASP 64 Ca 0.10 -1.85 0.35 0.00 2.13 0.00 0.00 52.55 53.27 1p44 s ASP 64 Cb -0.14 -1.92 1.49 0.00 -1.45 0.00 0.00 42.92 40.90 1p44 s ASP 64 CO -0.16 -0.58 1.78 -0.37 0.13 0.00 0.00 175.17 175.97 1p44 h VAL 65 N 6.24 0.36 0.00 1.11 -1.51 -1.97 1.99 116.25 122.46 1p44 h VAL 65 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1p44 h VAL 65 Cb 1.06 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1p44 h VAL 65 CO 0.76 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.10 1p44 n GLN 66 N -4.01 0.47 -3.60 5.19 6.02 -1.26 -4.75 117.38 115.44 1p44 n GLN 66 Ca 0.22 0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.87 1p44 n GLN 66 Cb 1.18 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.86 1p44 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1p44 s ASN 67 N -2.49 6.27 0.07 1.08 3.04 0.67 -5.01 114.94 118.57 1p44 s ASN 67 Ca 0.29 0.30 -0.20 0.00 0.04 0.00 0.00 52.86 53.29 1p44 s ASN 67 Cb 0.19 -2.14 -0.11 0.00 -1.54 0.00 0.00 41.25 37.65 1p44 s ASN 67 CO 0.42 0.08 1.50 -0.08 -3.04 0.00 0.00 177.10 175.97 1p44 h GLU 68 N 7.08 0.30 0.13 0.43 4.57 -1.85 -3.23 114.58 122.02 1p44 h GLU 68 Ca -0.39 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 1p44 h GLU 68 Cb 1.16 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1p44 h GLU 68 CO 0.72 0.51 -0.06 0.93 -1.18 0.00 0.00 179.01 179.93 1p44 h GLU 69 N 0.06 -0.17 -0.75 1.92 3.07 -1.95 -0.84 114.58 115.91 1p44 h GLU 69 Ca 0.05 0.01 0.22 0.00 -0.50 0.00 0.00 59.36 59.14 1p44 h GLU 69 Cb 0.38 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 1p44 h GLU 69 CO 0.01 -0.04 0.59 0.45 -1.40 0.00 0.00 179.01 178.62 1p44 h HIS 70 N -0.27 0.00 0.13 4.33 3.86 -1.90 0.38 115.15 121.68 1p44 h HIS 70 Ca -0.02 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.87 1p44 h HIS 70 Cb 0.22 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1p44 h HIS 70 CO -0.04 0.00 -1.60 -0.07 0.86 0.00 0.00 177.93 177.09 1p44 h LEU 71 N 0.00 0.43 -0.70 2.43 -0.00 -1.47 -0.69 115.31 115.31 1p44 h LEU 71 Ca 0.36 -0.62 -0.09 0.00 -0.00 0.00 0.00 57.88 57.53 1p44 h LEU 71 Cb 1.54 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 42.03 1p44 h LEU 71 CO -0.00 1.52 -0.01 0.00 -0.00 0.00 0.00 178.44 179.95 1p44 h ALA 72 N 0.42 0.90 0.05 1.53 0.00 0.75 -3.27 119.26 119.64 1p44 h ALA 72 Ca -0.27 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.02 1p44 h ALA 72 Cb 2.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1p44 h ALA 72 CO 0.16 0.65 -1.74 0.66 0.00 0.00 0.00 179.25 178.98 1p44 h SER 73 N 0.91 0.18 -0.51 0.00 4.64 -0.52 -3.41 113.55 114.84 1p44 h SER 73 Ca 0.16 -0.36 0.18 0.00 -0.47 0.00 0.00 61.79 61.31 1p44 h SER 73 Cb 0.54 -0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 62.48 1p44 h SER 73 CO 0.03 1.32 0.16 -0.11 -0.87 0.00 0.00 176.83 177.36 1p44 n LEU 74 N -3.24 0.08 0.41 5.97 0.00 -0.27 -0.32 117.00 119.63 1p44 n LEU 74 Ca -0.20 0.86 -0.17 0.00 0.00 0.00 0.00 56.01 56.49 1p44 n LEU 74 Cb 1.05 -0.37 -0.08 0.00 0.00 0.00 0.00 43.42 44.01 1p44 n LEU 74 CO 0.45 -0.92 0.49 0.00 0.00 0.00 0.00 177.39 177.41 1p44 h ALA 75 N 1.03 -1.05 0.00 1.96 0.00 -1.79 -2.97 119.26 116.44 1p44 h ALA 75 Ca 0.38 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p44 h ALA 75 Cb 0.94 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1p44 h ALA 75 CO -0.43 -1.02 -0.00 0.78 0.00 0.00 0.00 179.25 178.58 1p44 h GLY 76 N -1.20 0.00 2.00 0.00 0.00 -0.97 -2.13 103.07 100.78 1p44 h GLY 76 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1p44 h GLY 76 CO 0.18 0.00 -0.32 3.21 0.00 0.00 0.00 176.54 179.61 1p44 h ARG 77 N 0.00 0.00 0.07 4.80 3.08 -1.24 -3.16 114.38 117.94 1p44 h ARG 77 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 1p44 h ARG 77 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1p44 h ARG 77 CO 0.00 0.32 -2.18 0.28 -1.07 0.00 0.00 179.97 177.32 1p44 n VAL 78 N -3.21 1.66 0.09 2.04 0.31 -0.90 -3.32 118.33 115.00 1p44 n VAL 78 Ca 0.02 -0.61 0.06 0.00 -0.01 0.00 0.00 64.34 63.81 1p44 n VAL 78 Cb 0.63 -1.62 0.32 0.00 -0.91 0.00 0.00 33.84 32.25 1p44 n VAL 78 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1p44 n THR 79 N -3.43 1.36 0.11 2.52 -1.04 -0.85 0.81 114.28 113.76 1p44 n THR 79 Ca -0.38 0.64 0.07 0.00 -2.04 0.00 0.00 64.05 62.34 1p44 n THR 79 Cb 1.02 -1.64 -0.11 0.00 -1.82 0.00 0.00 70.33 67.78 1p44 n THR 79 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1p44 n GLU 80 N -1.91 0.77 0.04 -2.82 -0.00 -1.19 -3.71 120.64 111.82 1p44 n GLU 80 Ca -0.01 -0.11 0.04 0.00 -0.00 0.00 0.00 57.16 57.08 1p44 n GLU 80 Cb 0.06 -1.32 -0.07 0.00 -0.00 0.00 0.00 31.44 30.11 1p44 n GLU 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1p44 n ALA 81 N -1.89 2.18 0.55 -1.84 0.00 0.19 -4.05 120.51 115.64 1p44 n ALA 81 Ca -0.02 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.02 1p44 n ALA 81 Cb 0.36 -0.95 0.09 0.00 0.00 0.00 0.00 19.45 18.96 1p44 n ALA 81 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1p44 n ILE 82 N -2.75 0.16 0.00 0.00 -5.35 0.24 -5.01 119.36 106.64 1p44 n ILE 82 Ca -0.07 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1p44 n ILE 82 Cb 0.74 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.85 1p44 n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p44 n GLY 83 N 0.95 1.47 3.77 3.28 0.00 -1.24 -4.66 105.19 108.75 1p44 n GLY 83 Ca 0.11 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 1p44 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 s ALA 84 N -2.78 3.34 -0.46 4.61 0.00 -1.25 -2.24 121.76 122.99 1p44 s ALA 84 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1p44 s ALA 84 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1p44 s ALA 84 CO 0.00 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1p44 n GLY 85 N 0.64 0.54 3.86 0.00 0.00 -1.26 -4.97 105.19 103.99 1p44 n GLY 85 Ca 0.03 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1p44 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p44 s ASN 86 N -2.24 6.35 0.27 1.61 0.01 -0.95 -5.10 114.94 114.89 1p44 s ASN 86 Ca 0.00 0.44 0.10 0.00 -0.71 0.00 0.00 52.86 52.69 1p44 s ASN 86 Cb 0.00 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 1p44 s ASN 86 CO 0.00 0.38 -0.15 -0.54 -1.51 0.00 0.00 177.10 175.28 1p44 s LYS 87 N -0.88 1.58 0.30 -0.60 1.02 -1.26 -4.80 119.74 115.10 1p44 s LYS 87 Ca 0.14 -1.74 -0.15 0.00 0.02 0.00 0.00 55.97 54.25 1p44 s LYS 87 Cb -0.12 -1.50 -0.09 0.00 -0.52 0.00 0.00 37.83 35.61 1p44 s LYS 87 CO 0.03 0.23 0.71 -0.51 -0.92 0.00 0.00 175.35 174.89 1p44 s LEU 88 N -3.46 4.10 -0.15 3.17 1.43 -0.65 -4.73 118.68 118.39 1p44 s LEU 88 Ca 0.28 1.24 0.19 0.00 -1.03 0.00 0.00 54.13 54.81 1p44 s LEU 88 Cb -0.02 -3.98 -0.27 0.00 0.03 0.00 0.00 46.19 41.96 1p44 s LEU 88 CO 0.12 -0.16 0.18 0.47 0.23 0.00 0.00 176.35 177.19 1p44 n ASP 89 N -0.23 0.06 -4.08 2.29 8.00 0.21 -0.77 116.55 122.02 1p44 n ASP 89 Ca 0.03 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.43 1p44 n ASP 89 Cb 0.53 1.26 -0.09 0.00 -0.02 0.00 0.00 41.12 42.79 1p44 n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1p44 s GLY 90 N -5.20 0.77 -0.23 0.44 0.00 -1.11 -1.17 107.32 100.83 1p44 s GLY 90 Ca -0.09 -1.26 -0.03 0.00 0.00 0.00 0.00 44.72 43.33 1p44 s GLY 90 CO 0.84 -1.20 0.21 0.14 0.00 0.00 0.00 173.10 173.09 1p44 s VAL 91 N -4.01 -0.27 -0.16 1.40 1.01 -0.50 -2.21 120.40 115.67 1p44 s VAL 91 Ca 0.20 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1p44 s VAL 91 Cb 0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1p44 s VAL 91 CO -0.00 -0.35 0.33 -0.69 0.00 0.00 0.00 175.10 174.40 1p44 s VAL 92 N 2.28 5.28 -0.28 2.92 1.01 0.21 -0.82 120.40 130.99 1p44 s VAL 92 Ca 0.07 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 1p44 s VAL 92 Cb -0.15 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1p44 s VAL 92 CO -0.20 0.36 0.01 -2.28 0.00 0.00 0.00 175.10 173.00 1p44 s HIS 93 N 0.59 3.14 -0.35 5.22 2.46 0.88 -3.00 115.29 124.23 1p44 s HIS 93 Ca 0.18 -1.36 0.14 0.00 0.47 0.00 0.00 55.06 54.48 1p44 s HIS 93 Cb -0.13 -2.16 0.45 0.00 -0.13 0.00 0.00 32.58 30.61 1p44 s HIS 93 CO 0.05 -0.68 1.04 0.43 -2.47 0.00 0.00 174.74 173.11 1p44 n SER 94 N 4.75 2.78 -4.70 9.88 7.64 -1.19 -2.16 113.62 130.61 1p44 n SER 94 Ca -0.15 -3.04 -0.35 0.00 1.01 0.00 0.00 58.87 56.34 1p44 n SER 94 Cb 0.47 -0.49 -0.09 0.00 -1.01 0.00 0.00 64.21 63.09 1p44 n SER 94 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1p44 s ILE 95 N -4.10 4.71 -0.26 0.44 1.01 -1.26 -4.17 121.20 117.58 1p44 s ILE 95 Ca 0.36 -0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.66 1p44 s ILE 95 Cb 0.42 -3.05 0.13 0.00 0.01 0.00 0.00 42.46 39.97 1p44 s ILE 95 CO -0.04 0.56 1.04 -0.83 0.00 0.00 0.00 174.94 175.67 1p44 s GLY 96 N -0.47 -0.15 -0.01 6.18 0.00 -1.26 -4.68 107.32 106.93 1p44 s GLY 96 Ca 0.10 2.58 -0.28 0.00 0.00 0.00 0.00 44.72 47.12 1p44 s GLY 96 CO 0.02 1.67 0.85 -0.12 0.00 0.00 0.00 173.10 175.52 1p44 s PHE 97 N -0.06 -0.39 -0.30 1.90 5.36 -1.26 -5.01 117.98 118.22 1p44 s PHE 97 Ca 0.02 0.33 -0.11 0.00 -0.96 0.00 0.00 56.93 56.22 1p44 s PHE 97 Cb -0.04 0.52 0.18 0.00 -0.34 0.00 0.00 43.02 43.34 1p44 s PHE 97 CO -0.05 -0.56 0.99 1.41 -1.46 0.00 0.00 175.22 175.54 1p44 s MET 98 N -2.84 0.23 0.76 10.12 -2.45 -1.26 -4.53 119.30 119.33 1p44 s MET 98 Ca 0.03 0.38 -0.16 0.00 -1.25 0.00 0.00 55.69 54.69 1p44 s MET 98 Cb -0.01 0.20 -0.03 0.00 1.25 0.00 0.00 34.83 36.25 1p44 s MET 98 CO -0.07 -0.29 0.52 -0.35 1.05 0.00 0.00 175.02 175.87 1p44 n PRO 99 N 5.41 0.21 0.20 4.11 -0.04 -1.26 -4.62 135.00 139.00 1p44 n PRO 99 Ca -0.03 0.11 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1p44 n PRO 99 Cb 0.54 -1.84 0.13 0.00 -0.04 0.00 0.00 33.50 32.29 1p44 n PRO 99 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1p44 h GLN 100 N -0.56 0.00 0.58 0.54 4.20 -1.98 -2.76 115.11 115.13 1p44 h GLN 100 Ca -0.45 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 1p44 h GLN 100 Cb 1.34 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.12 1p44 h GLN 100 CO 0.41 0.00 -0.28 1.79 -0.67 0.00 0.00 178.83 180.08 1p44 h THR 101 N 0.00 0.00 0.00 -0.54 1.35 -1.95 -3.05 112.91 108.72 1p44 h THR 101 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1p44 h THR 101 Cb 1.31 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1p44 h THR 101 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1p44 n GLY 102 N -0.53 -1.02 3.74 5.82 0.00 -1.05 -4.46 105.19 107.69 1p44 n GLY 102 Ca -0.10 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1p44 n GLY 102 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p44 s MET 103 N -2.74 1.87 0.26 1.61 0.00 -1.15 -1.60 119.30 117.56 1p44 s MET 103 Ca 0.15 1.18 -0.01 0.00 0.00 0.00 0.00 55.69 57.01 1p44 s MET 103 Cb 0.13 -1.85 0.52 0.00 0.00 0.00 0.00 34.83 33.63 1p44 s MET 103 CO 0.32 -1.92 1.78 0.78 0.00 0.00 0.00 175.02 175.98 1p44 h GLY 104 N -1.33 1.41 0.00 2.11 0.00 -1.85 -3.27 103.07 100.14 1p44 h GLY 104 Ca -0.44 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1p44 h GLY 104 CO 0.50 0.02 0.00 4.51 0.00 0.00 0.00 176.54 181.57 1p44 n ILE 105 N -4.81 0.00 -1.91 2.60 3.06 -1.26 -4.55 119.36 112.48 1p44 n ILE 105 Ca 0.17 0.78 -0.31 0.00 -2.50 0.00 0.00 62.75 60.89 1p44 n ILE 105 Cb 0.40 -1.09 0.01 0.00 0.54 0.00 0.00 39.64 39.49 1p44 n ILE 105 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 1p44 s ASN 106 N -2.42 6.17 0.56 9.51 -0.87 -1.23 -4.77 114.94 121.89 1p44 s ASN 106 Ca 0.00 1.48 -0.21 0.00 -1.57 0.00 0.00 52.86 52.56 1p44 s ASN 106 Cb 0.00 -2.48 -0.04 0.00 -0.02 0.00 0.00 41.25 38.70 1p44 s ASN 106 CO 0.00 -0.91 1.27 -2.84 -2.57 0.00 0.00 177.10 172.05 1p44 s PRO 107 N -4.97 3.13 0.32 -0.60 0.02 -1.26 -4.81 135.00 126.83 1p44 s PRO 107 Ca 0.56 2.00 0.10 0.00 0.02 0.00 0.00 61.00 63.68 1p44 s PRO 107 Cb -0.11 -2.13 0.93 0.00 0.02 0.00 0.00 34.50 33.20 1p44 s PRO 107 CO 0.50 -1.12 1.70 0.35 -0.33 0.00 0.00 177.00 178.10 1p44 h PHE 108 N 1.28 0.91 0.06 6.54 3.04 -1.91 -2.16 116.94 124.70 1p44 h PHE 108 Ca -0.50 0.04 -0.27 0.00 3.98 0.00 0.00 57.97 61.21 1p44 h PHE 108 Cb 1.29 -0.25 0.02 0.00 2.56 0.00 0.00 35.95 39.58 1p44 h PHE 108 CO 0.47 -0.04 -1.13 0.74 -2.02 0.00 0.00 178.31 176.33 1p44 h PHE 109 N 0.46 0.89 0.00 0.41 0.04 -1.95 -3.34 116.94 113.45 1p44 h PHE 109 Ca 0.66 -0.53 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1p44 h PHE 109 Cb 1.35 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1p44 h PHE 109 CO -0.03 1.37 0.00 -0.25 -0.60 0.00 0.00 178.31 178.80 1p44 n ASP 110 N -3.78 0.13 -4.66 2.17 9.92 -0.81 -4.73 116.55 114.80 1p44 n ASP 110 Ca -0.11 -0.67 -0.35 0.00 -0.53 0.00 0.00 54.79 53.13 1p44 n ASP 110 Cb 0.93 -0.07 -0.10 0.00 -0.64 0.00 0.00 41.12 41.25 1p44 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p44 s ALA 111 N -1.61 3.29 0.62 2.24 0.00 -1.25 -4.95 121.76 120.10 1p44 s ALA 111 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1p44 s ALA 111 Cb 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 1p44 s ALA 111 CO 0.00 0.47 1.02 -1.25 0.00 0.00 0.00 175.76 176.01 1p44 s PRO 112 N -0.52 3.48 0.22 0.00 0.04 -1.26 -4.97 135.00 131.99 1p44 s PRO 112 Ca 0.09 0.67 0.01 0.00 0.04 0.00 0.00 61.00 61.81 1p44 s PRO 112 Cb -0.12 -2.09 0.22 0.00 0.04 0.00 0.00 34.50 32.55 1p44 s PRO 112 CO 0.02 -0.62 1.56 -0.92 0.04 0.00 0.00 177.00 177.08 1p44 h TYR 113 N -0.33 0.47 -0.79 0.56 3.20 -1.98 -2.53 116.97 115.57 1p44 h TYR 113 Ca -0.44 -0.17 0.17 0.00 3.14 0.00 0.00 58.73 61.43 1p44 h TYR 113 Cb 1.20 -0.09 -0.11 0.00 1.54 0.00 0.00 36.73 39.27 1p44 h TYR 113 CO 0.63 0.84 0.27 0.00 -1.64 0.00 0.00 178.16 178.27 1p44 h ALA 114 N 1.12 1.12 0.00 1.82 0.00 -1.98 0.90 119.26 122.24 1p44 h ALA 114 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1p44 h ALA 114 Cb 1.06 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1p44 h ALA 114 CO 0.09 -0.29 -0.92 -0.44 0.00 0.00 0.00 179.25 177.69 1p44 h ASP 115 N 0.36 0.00 1.43 0.00 3.45 -1.92 -2.40 116.42 117.33 1p44 h ASP 115 Ca 0.45 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.80 1p44 h ASP 115 Cb 0.78 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.53 1p44 h ASP 115 CO -0.48 0.92 -0.55 0.58 -1.57 0.00 0.00 179.24 178.14 1p44 h VAL 116 N 0.00 0.95 0.01 -1.35 2.07 -0.70 -2.82 116.25 114.41 1p44 h VAL 116 Ca -0.01 -2.33 -0.22 0.00 0.82 0.00 0.00 66.70 64.96 1p44 h VAL 116 Cb 1.66 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 33.89 1p44 h VAL 116 CO 0.12 0.54 -0.95 -1.28 0.02 0.00 0.00 177.57 176.02 1p44 h SER 117 N 0.00 0.45 -0.34 0.57 0.87 0.75 -2.88 113.55 112.96 1p44 h SER 117 Ca -0.01 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1p44 h SER 117 Cb 1.41 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 1p44 h SER 117 CO 0.07 1.18 0.21 0.50 -0.53 0.00 0.00 176.83 178.26 1p44 h LYS 118 N 0.18 0.46 0.92 2.24 1.63 -1.37 -2.58 116.57 118.05 1p44 h LYS 118 Ca -0.07 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 1p44 h LYS 118 Cb 1.59 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 33.13 1p44 h LYS 118 CO 0.16 0.35 -0.44 0.78 -3.45 0.00 0.00 179.45 176.84 1p44 h GLY 119 N 0.44 -1.29 0.10 5.01 0.00 -1.47 -2.96 103.07 102.90 1p44 h GLY 119 Ca 0.12 0.48 0.18 0.00 0.00 0.00 0.00 47.33 48.12 1p44 h GLY 119 CO -0.02 -0.47 0.53 -2.22 0.00 0.00 0.00 176.54 174.36 1p44 h ILE 120 N -1.25 0.67 -0.11 2.60 2.04 -1.53 0.54 117.51 120.47 1p44 h ILE 120 Ca -0.13 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1p44 h ILE 120 Cb 0.95 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1p44 h ILE 120 CO 0.21 0.12 -0.00 -0.74 0.00 0.00 0.00 178.15 177.74 1p44 h HIS 121 N 0.67 -0.01 -0.02 1.37 2.76 -1.47 0.63 115.15 119.07 1p44 h HIS 121 Ca 0.55 0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.54 1p44 h HIS 121 Cb 0.87 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 1p44 h HIS 121 CO -0.05 -0.02 -0.79 0.82 -1.30 0.00 0.00 177.93 176.60 1p44 h ILE 122 N 0.03 1.45 0.00 6.26 2.04 -1.09 -1.03 117.51 125.17 1p44 h ILE 122 Ca 0.05 -2.39 -0.17 0.00 1.00 0.00 0.00 64.86 63.36 1p44 h ILE 122 Cb 0.07 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1p44 h ILE 122 CO -0.09 0.70 -0.99 0.28 0.00 0.00 0.00 178.15 178.04 1p44 h SER 123 N 0.14 0.00 0.00 1.72 0.02 0.29 -3.40 113.55 112.32 1p44 h SER 123 Ca -0.03 -0.44 -0.41 0.00 -0.84 0.00 0.00 61.79 60.06 1p44 h SER 123 Cb 1.37 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.84 1p44 h SER 123 CO 0.12 1.29 -2.48 0.00 -1.14 0.00 0.00 176.83 174.62 1p44 n ALA 124 N -3.38 1.36 -0.20 3.77 0.00 0.20 -4.45 120.51 117.81 1p44 n ALA 124 Ca -0.25 -1.09 -0.07 0.00 0.00 0.00 0.00 53.44 52.03 1p44 n ALA 124 Cb 0.57 0.01 0.03 0.00 0.00 0.00 0.00 19.45 20.06 1p44 n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1p44 h TYR 125 N -0.40 0.76 -0.92 0.00 3.20 -1.10 -2.95 116.97 115.55 1p44 h TYR 125 Ca -0.62 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.41 1p44 h TYR 125 Cb 1.77 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 39.72 1p44 h TYR 125 CO -0.02 0.53 0.59 0.66 -1.64 0.00 0.00 178.16 178.28 1p44 h SER 126 N 0.77 0.64 -0.06 -2.11 4.64 -1.39 -2.02 113.55 114.02 1p44 h SER 126 Ca 0.20 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.61 1p44 h SER 126 Cb -0.00 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 1p44 h SER 126 CO -0.04 0.30 -0.23 0.22 -0.87 0.00 0.00 176.83 176.21 1p44 h TYR 127 N 0.66 -0.62 -0.41 4.77 3.20 -1.73 0.46 116.97 123.30 1p44 h TYR 127 Ca 0.48 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.43 1p44 h TYR 127 Cb 0.84 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 1p44 h TYR 127 CO -0.00 -0.32 0.13 0.00 -1.64 0.00 0.00 178.16 176.33 1p44 h ALA 128 N 0.57 0.48 -0.18 1.82 0.00 -1.49 -1.77 119.26 118.68 1p44 h ALA 128 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1p44 h ALA 128 Cb 0.44 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1p44 h ALA 128 CO -0.25 -0.26 0.07 0.66 0.00 0.00 0.00 179.25 179.48 1p44 h SER 129 N 0.29 0.25 -0.82 0.00 4.64 -1.19 0.59 113.55 117.31 1p44 h SER 129 Ca 0.19 -0.16 0.09 0.00 -0.47 0.00 0.00 61.79 61.44 1p44 h SER 129 Cb 0.19 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1p44 h SER 129 CO -0.20 0.34 0.54 0.24 -0.87 0.00 0.00 176.83 176.88 1p44 h MET 130 N 0.14 0.78 0.21 4.77 2.07 -0.72 1.20 114.93 123.38 1p44 h MET 130 Ca 0.06 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.63 1p44 h MET 130 Cb 0.17 -0.18 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1p44 h MET 130 CO -0.01 0.52 -0.10 0.00 1.07 0.00 0.00 176.91 178.39 1p44 h ALA 131 N 1.58 -0.28 -0.01 6.32 0.00 -0.61 0.10 119.26 126.36 1p44 h ALA 131 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1p44 h ALA 131 Cb 0.39 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1p44 h ALA 131 CO -0.15 -0.50 0.01 -0.22 0.00 0.00 0.00 179.25 178.39 1p44 h LYS 132 N -0.59 0.00 0.00 0.00 3.11 0.19 0.54 116.57 119.82 1p44 h LYS 132 Ca -0.03 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.69 1p44 h LYS 132 Cb 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 1p44 h LYS 132 CO 0.05 0.00 -0.74 0.00 -2.81 0.00 0.00 179.45 175.94 1p44 h ALA 133 N 1.98 0.14 0.00 5.00 0.00 0.17 -3.42 119.26 123.14 1p44 h ALA 133 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1p44 h ALA 133 Cb 0.03 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1p44 h ALA 133 CO -0.00 0.45 -1.01 1.28 0.00 0.00 0.00 179.25 179.97 1p44 n LEU 134 N -4.53 0.65 -0.11 0.00 4.77 0.32 -4.40 117.00 113.69 1p44 n LEU 134 Ca -0.20 0.14 0.19 0.00 -0.03 0.00 0.00 56.01 56.10 1p44 n LEU 134 Cb 0.52 -0.10 0.60 0.00 -2.33 0.00 0.00 43.42 42.11 1p44 n LEU 134 CO 0.20 -0.05 1.21 0.25 -1.33 0.00 0.00 177.39 177.67 1p44 h LEU 135 N 0.00 0.20 -1.48 2.23 5.85 -1.06 -1.19 115.31 119.86 1p44 h LEU 135 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1p44 h LEU 135 Cb 0.83 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1p44 h LEU 135 CO 0.00 0.10 -0.04 -0.65 -0.34 0.00 0.00 178.44 177.51 1p44 h PRO 136 N 0.21 0.00 -0.33 5.25 0.11 -1.82 -2.63 132.00 132.79 1p44 h PRO 136 Ca 0.34 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.29 1p44 h PRO 136 Cb 1.04 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.05 1p44 h PRO 136 CO -0.07 0.04 -0.08 0.44 -0.21 0.00 0.00 178.00 178.12 1p44 n ILE 137 N -3.16 2.52 -3.76 4.15 -5.35 -0.47 -4.97 119.36 108.31 1p44 n ILE 137 Ca 0.00 -2.67 -0.36 0.00 -0.27 0.00 0.00 62.75 59.45 1p44 n ILE 137 Cb 0.31 -0.31 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 1p44 n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1p44 s MET 138 N -3.20 4.01 0.61 6.28 -1.94 -1.00 -1.64 119.30 122.42 1p44 s MET 138 Ca 0.44 -0.31 -0.19 0.00 -1.71 0.00 0.00 55.69 53.93 1p44 s MET 138 Cb 0.40 -3.43 -0.03 0.00 2.01 0.00 0.00 34.83 33.78 1p44 s MET 138 CO 0.00 0.10 1.11 -1.71 -0.01 0.00 0.00 175.02 174.51 1p44 n ASN 139 N 4.12 1.36 -4.56 3.03 2.85 0.05 -4.93 115.26 117.19 1p44 n ASN 139 Ca -0.16 0.83 -0.28 0.00 -0.11 0.00 0.00 54.58 54.86 1p44 n ASN 139 Cb 0.52 -1.46 0.23 0.00 1.24 0.00 0.00 39.78 40.30 1p44 n ASN 139 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1p44 s PRO 140 N -2.98 -0.48 -0.91 1.20 0.04 -1.26 -2.49 135.00 128.12 1p44 s PRO 140 Ca 0.78 0.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.50 1p44 s PRO 140 Cb -0.40 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1p44 s PRO 140 CO 0.45 -3.39 0.01 0.41 0.04 0.00 0.00 177.00 174.52 1p44 n GLY 141 N 0.05 -0.50 3.93 0.56 0.00 0.11 -4.92 105.19 104.41 1p44 n GLY 141 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1p44 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p44 n GLY 142 N -0.77 0.06 2.94 -0.02 0.00 -1.04 -4.89 105.19 101.47 1p44 n GLY 142 Ca -0.12 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 1p44 n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p44 s SER 143 N -5.34 0.07 -0.04 1.61 0.15 -0.32 -0.54 113.70 109.30 1p44 s SER 143 Ca 0.70 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1p44 s SER 143 Cb -0.03 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1p44 s SER 143 CO 0.47 -0.18 -0.01 -0.63 1.20 0.00 0.00 173.24 174.09 1p44 s ILE 144 N 1.52 4.14 -0.18 6.45 1.01 0.11 -1.41 121.20 132.84 1p44 s ILE 144 Ca -0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 1p44 s ILE 144 Cb -0.11 -2.79 0.07 0.00 0.01 0.00 0.00 42.46 39.63 1p44 s ILE 144 CO -0.07 0.49 0.41 0.54 0.00 0.00 0.00 174.94 176.31 1p44 s VAL 145 N -0.98 -0.16 0.35 2.92 0.11 -0.00 -1.69 120.40 120.96 1p44 s VAL 145 Ca 0.16 0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.41 1p44 s VAL 145 Cb -0.11 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1p44 s VAL 145 CO 0.06 0.05 0.14 -0.83 -3.33 0.00 0.00 175.10 171.19 1p44 s GLY 146 N 1.67 1.99 -0.23 6.54 0.00 -0.96 -0.08 107.32 116.24 1p44 s GLY 146 Ca -0.08 -1.86 -0.10 0.00 0.00 0.00 0.00 44.72 42.69 1p44 s GLY 146 CO -0.13 -1.78 0.14 1.06 0.00 0.00 0.00 173.10 172.39 1p44 s MET 147 N -3.85 4.03 0.40 2.90 -1.94 -0.92 -1.14 119.30 118.78 1p44 s MET 147 Ca 0.38 -0.30 0.08 0.00 -1.71 0.00 0.00 55.69 54.14 1p44 s MET 147 Cb -0.02 -3.47 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 1p44 s MET 147 CO 0.23 0.08 0.24 0.34 -0.01 0.00 0.00 175.02 175.90 1p44 s ASP 148 N 0.97 4.68 -0.38 3.03 3.68 0.16 -4.89 116.67 123.91 1p44 s ASP 148 Ca 0.07 -0.92 0.03 0.00 2.13 0.00 0.00 52.55 53.86 1p44 s ASP 148 Cb -0.13 -0.56 0.16 0.00 -1.45 0.00 0.00 42.92 40.94 1p44 s ASP 148 CO 0.03 -0.54 0.36 0.12 0.13 0.00 0.00 175.17 175.28 1p44 s PHE 149 N -2.53 0.02 0.00 -5.34 2.19 -1.26 -1.80 117.98 109.26 1p44 s PHE 149 Ca 0.43 -1.18 0.00 0.00 0.33 0.00 0.00 56.93 56.51 1p44 s PHE 149 Cb 0.00 -0.54 0.00 0.00 -1.31 0.00 0.00 43.02 41.18 1p44 s PHE 149 CO 0.24 -0.94 0.00 -3.47 1.83 0.00 0.00 175.22 172.88 1p44 n ASP 150 N 3.94 0.00 -1.20 6.13 4.64 -1.26 -4.83 116.55 123.97 1p44 n ASP 150 Ca 0.14 0.00 0.08 0.00 -1.38 0.00 0.00 54.79 53.63 1p44 n ASP 150 Cb 0.44 0.00 0.27 0.00 -1.04 0.00 0.00 41.12 40.79 1p44 n ASP 150 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1p44 n PRO 151 N 0.00 2.80 -0.29 -0.67 -0.04 -1.26 -4.55 135.00 130.99 1p44 n PRO 151 Ca 0.00 -2.15 0.03 0.00 -0.04 0.00 0.00 63.50 61.34 1p44 n PRO 151 Cb 0.00 -1.63 0.17 0.00 -0.04 0.00 0.00 33.50 32.00 1p44 n PRO 151 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p44 h SER 152 N 3.24 0.65 -4.33 3.54 4.64 -1.97 -3.41 113.55 115.91 1p44 h SER 152 Ca 0.00 0.05 -0.59 0.00 -0.47 0.00 0.00 61.79 60.78 1p44 h SER 152 Cb 1.01 -0.07 -0.27 0.00 -0.31 0.00 0.00 62.40 62.76 1p44 h SER 152 CO 0.11 0.36 -0.85 0.00 -0.87 0.00 0.00 176.83 175.59 1p44 s ARG 153 N -6.03 1.48 0.25 4.77 1.70 -1.26 -5.12 118.95 114.75 1p44 s ARG 153 Ca -0.12 -0.88 -0.30 0.00 -0.47 0.00 0.00 55.73 53.96 1p44 s ARG 153 Cb 0.19 -1.55 -0.09 0.00 -0.57 0.00 0.00 34.95 32.93 1p44 s ARG 153 CO 0.78 0.40 1.31 0.00 -1.08 0.00 0.00 175.30 176.71 1p44 s ALA 154 N -0.70 3.52 -0.14 7.88 0.00 -1.26 -5.03 121.76 126.03 1p44 s ALA 154 Ca 0.08 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.19 1p44 s ALA 154 Cb -0.09 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1p44 s ALA 154 CO 0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 175.76 175.13 1p44 s MET 155 N -0.75 1.73 0.72 0.00 0.23 -1.26 -5.13 119.30 114.83 1p44 s MET 155 Ca 0.54 -0.44 -0.16 0.00 -1.03 0.00 0.00 55.69 54.60 1p44 s MET 155 Cb -0.38 -1.88 0.02 0.00 -1.53 0.00 0.00 34.83 31.06 1p44 s MET 155 CO 0.43 -0.31 1.13 -0.35 -2.03 0.00 0.00 175.02 173.89 1p44 n PRO 156 N 4.86 0.63 -2.87 3.16 -0.04 -1.26 -4.04 135.00 135.45 1p44 n PRO 156 Ca -0.14 0.27 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1p44 n PRO 156 Cb 0.49 -2.37 0.01 0.00 -0.04 0.00 0.00 33.50 31.59 1p44 n PRO 156 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p44 n ALA 157 N -2.50 -2.95 0.00 0.55 0.00 -1.26 -4.78 120.51 109.57 1p44 n ALA 157 Ca 0.14 1.04 0.00 0.00 0.00 0.00 0.00 53.44 54.62 1p44 n ALA 157 Cb 0.49 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.43 1p44 n ALA 157 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1p44 n TYR 158 N -0.48 0.00 0.00 0.00 4.19 -1.26 -4.75 117.16 114.86 1p44 n TYR 158 Ca 0.10 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.31 1p44 n TYR 158 Cb 0.46 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.29 1p44 n TYR 158 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1p44 n ASN 159 N 0.00 0.00 0.00 2.98 3.02 -1.24 -2.96 115.26 117.05 1p44 n ASN 159 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1p44 n ASN 159 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1p44 n ASN 159 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1p44 n TRP 160 N 0.00 0.00 0.09 3.10 7.02 -0.62 0.56 117.44 127.59 1p44 n TRP 160 Ca 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.43 1p44 n TRP 160 Cb 0.00 -0.33 -0.01 0.00 -2.42 0.00 0.00 31.31 28.55 1p44 n TRP 160 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 1p44 h MET 161 N 0.00 0.01 -0.09 -0.99 4.05 -1.71 -2.48 114.93 113.74 1p44 h MET 161 Ca 0.00 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1p44 h MET 161 Cb 0.21 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1p44 h MET 161 CO 0.00 0.87 -0.09 1.15 0.23 0.00 0.00 176.91 179.07 1p44 h THR 162 N 0.01 1.37 -0.84 -0.77 2.02 0.23 -2.23 112.91 112.69 1p44 h THR 162 Ca -0.01 -1.26 0.20 0.00 0.77 0.00 0.00 66.41 66.11 1p44 h THR 162 Cb 1.53 2.02 -0.05 0.00 -1.74 0.00 0.00 68.15 69.90 1p44 h THR 162 CO 0.11 0.35 0.57 0.58 0.37 0.00 0.00 175.52 177.51 1p44 h VAL 163 N -0.21 0.67 -0.21 3.16 2.07 -1.51 0.50 116.25 120.72 1p44 h VAL 163 Ca 0.01 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 1p44 h VAL 163 Cb 0.61 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1p44 h VAL 163 CO 0.02 0.05 -0.42 0.00 0.02 0.00 0.00 177.57 177.24 1p44 h ALA 164 N 1.62 0.87 -0.01 1.67 0.00 -1.02 -2.82 119.26 119.57 1p44 h ALA 164 Ca 0.42 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1p44 h ALA 164 Cb 1.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1p44 h ALA 164 CO -0.11 0.64 -0.82 0.87 0.00 0.00 0.00 179.25 179.83 1p44 h LYS 165 N 0.42 0.16 -0.43 0.00 1.79 0.50 -0.29 116.57 118.71 1p44 h LYS 165 Ca 0.03 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.31 1p44 h LYS 165 Cb 0.91 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 1p44 h LYS 165 CO 0.08 0.89 0.13 0.77 -1.08 0.00 0.00 179.45 180.25 1p44 h SER 166 N 0.09 0.63 -0.76 0.86 0.02 -1.10 -0.14 113.55 113.15 1p44 h SER 166 Ca -0.03 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1p44 h SER 166 Cb 1.43 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 1p44 h SER 166 CO 0.12 0.67 0.43 0.00 -1.14 0.00 0.00 176.83 176.91 1p44 h ALA 167 N 0.99 0.97 0.66 3.77 0.00 -1.38 -2.56 119.26 121.71 1p44 h ALA 167 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1p44 h ALA 167 Cb 0.26 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1p44 h ALA 167 CO -0.00 0.47 -0.32 1.25 0.00 0.00 0.00 179.25 180.65 1p44 h LEU 168 N 1.05 -0.75 -1.67 0.00 6.46 -0.51 -0.65 115.31 119.23 1p44 h LEU 168 Ca 0.27 0.00 0.27 0.00 -0.12 0.00 0.00 57.88 58.30 1p44 h LEU 168 Cb 0.02 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.07 1p44 h LEU 168 CO -0.05 -0.49 0.70 -0.33 -0.62 0.00 0.00 178.44 177.66 1p44 h GLU 169 N -0.97 0.22 0.07 1.25 5.08 -0.98 0.58 114.58 119.82 1p44 h GLU 169 Ca -0.09 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.01 1p44 h GLU 169 Cb 0.71 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1p44 h GLU 169 CO 0.15 0.14 -1.12 1.03 -1.00 0.00 0.00 179.01 178.21 1p44 h SER 170 N 0.22 0.25 0.24 1.42 0.87 -1.20 -2.95 113.55 112.40 1p44 h SER 170 Ca 0.53 -0.26 -0.13 0.00 -1.23 0.00 0.00 61.79 60.71 1p44 h SER 170 Cb 1.68 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 1p44 h SER 170 CO -0.15 1.19 -0.49 0.58 -0.53 0.00 0.00 176.83 177.43 1p44 h VAL 171 N 0.05 1.34 -0.70 2.23 2.07 0.15 -2.99 116.25 118.40 1p44 h VAL 171 Ca -0.08 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 65.66 1p44 h VAL 171 Cb 1.87 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 33.40 1p44 h VAL 171 CO 0.17 0.52 0.21 -1.13 0.02 0.00 0.00 177.57 177.36 1p44 h ASN 172 N 0.24 1.02 0.13 0.57 -1.24 -0.25 -0.81 115.58 115.24 1p44 h ASN 172 Ca 0.01 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 56.79 1p44 h ASN 172 Cb 0.96 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.73 1p44 h ASN 172 CO 0.08 0.95 -0.16 -0.09 -1.29 0.00 0.00 177.43 176.92 1p44 h ARG 173 N 1.05 0.08 0.00 6.67 2.43 -1.38 -1.31 114.38 121.91 1p44 h ARG 173 Ca 0.23 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1p44 h ARG 173 Cb 0.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1p44 h ARG 173 CO -0.01 0.24 -0.99 0.74 -1.51 0.00 0.00 179.97 178.45 1p44 h PHE 174 N 0.07 0.00 0.00 2.20 -1.00 -1.30 -3.31 116.94 113.60 1p44 h PHE 174 Ca 0.01 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.62 1p44 h PHE 174 Cb 0.33 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 1p44 h PHE 174 CO 0.00 0.36 -0.85 0.28 -1.61 0.00 0.00 178.31 176.49 1p44 h VAL 175 N 0.00 1.48 -0.20 -0.55 2.07 -0.67 -3.23 116.25 115.16 1p44 h VAL 175 Ca -0.07 -3.06 -0.04 0.00 0.82 0.00 0.00 66.70 64.35 1p44 h VAL 175 Cb 1.34 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.81 1p44 h VAL 175 CO 0.03 0.83 -0.04 0.00 0.02 0.00 0.00 177.57 178.42 1p44 h ALA 176 N 1.15 1.56 0.05 1.67 0.00 -1.34 0.26 119.26 122.61 1p44 h ALA 176 Ca -0.01 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1p44 h ALA 176 Cb 1.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1p44 h ALA 176 CO 0.11 0.32 -1.07 0.07 0.00 0.00 0.00 179.25 178.68 1p44 h ARG 177 N 0.29 0.15 -0.06 0.00 0.11 -1.69 0.61 114.38 113.78 1p44 h ARG 177 Ca 0.06 -0.23 -0.12 0.00 0.10 0.00 0.00 59.98 59.80 1p44 h ARG 177 Cb 0.27 0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.44 1p44 h ARG 177 CO 0.01 1.08 -0.42 0.93 0.10 0.00 0.00 179.97 181.66 1p44 h GLU 178 N 0.05 0.39 0.00 0.08 4.39 -1.50 -3.05 114.58 114.94 1p44 h GLU 178 Ca -0.07 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.20 1p44 h GLU 178 Cb 1.79 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.51 1p44 h GLU 178 CO 0.16 0.99 -0.41 0.00 -1.16 0.00 0.00 179.01 178.59 1p44 h ALA 179 N 0.41 1.04 -0.66 3.43 0.00 -0.54 -2.88 119.26 120.05 1p44 h ALA 179 Ca -0.04 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1p44 h ALA 179 Cb 1.09 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1p44 h ALA 179 CO 0.09 0.51 0.40 0.78 0.00 0.00 0.00 179.25 181.03 1p44 h GLY 180 N 1.88 0.96 1.18 0.00 0.00 0.30 0.09 103.07 107.48 1p44 h GLY 180 Ca -0.00 -0.29 0.11 0.00 0.00 0.00 0.00 47.33 47.15 1p44 h GLY 180 CO 0.05 0.22 0.30 0.50 0.00 0.00 0.00 176.54 177.62 1p44 h LYS 181 N 0.76 0.06 -0.38 4.80 1.57 -1.40 0.86 116.57 122.83 1p44 h LYS 181 Ca 0.28 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1p44 h LYS 181 Cb 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1p44 h LYS 181 CO -0.14 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.44 1p44 n TYR 182 N -4.43 0.50 -1.25 -1.35 4.02 -0.10 -4.90 117.16 109.65 1p44 n TYR 182 Ca 0.07 -0.25 -0.09 0.00 -0.01 0.00 0.00 57.90 57.63 1p44 n TYR 182 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.74 1p44 n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1p44 n GLY 183 N 1.19 1.02 3.64 2.72 0.00 0.29 -4.55 105.19 109.51 1p44 n GLY 183 Ca 0.15 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1p44 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p44 s VAL 184 N -2.25 4.25 0.31 1.61 1.01 -0.50 0.05 120.40 124.89 1p44 s VAL 184 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1p44 s VAL 184 Cb 0.00 -2.81 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 1p44 s VAL 184 CO 0.00 0.57 0.77 -0.13 0.00 0.00 0.00 175.10 176.31 1p44 s ARG 185 N -0.51 4.12 -0.20 2.72 0.52 0.30 -3.56 118.95 122.35 1p44 s ARG 185 Ca 0.09 0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 56.07 1p44 s ARG 185 Cb -0.12 -2.52 0.06 0.00 0.52 0.00 0.00 34.95 32.89 1p44 s ARG 185 CO 0.02 0.19 0.07 0.45 0.02 0.00 0.00 175.30 176.06 1p44 s SER 186 N -2.08 2.74 0.15 0.23 0.15 -1.26 0.05 113.70 113.69 1p44 s SER 186 Ca 0.52 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1p44 s SER 186 Cb -0.12 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 1p44 s SER 186 CO 0.18 -0.34 0.03 0.20 1.20 0.00 0.00 173.24 174.51 1p44 s ASN 187 N 2.00 0.73 0.28 5.45 0.01 -0.68 0.18 114.94 122.91 1p44 s ASN 187 Ca 0.02 -1.19 0.09 0.00 -0.71 0.00 0.00 52.86 51.07 1p44 s ASN 187 Cb -0.17 0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.66 1p44 s ASN 187 CO -0.11 -0.65 0.04 -0.76 -1.51 0.00 0.00 177.10 174.10 1p44 s LEU 188 N -3.10 3.23 -0.19 0.60 1.02 0.02 -2.25 118.68 118.01 1p44 s LEU 188 Ca 0.24 -0.67 -0.01 0.00 0.02 0.00 0.00 54.13 53.71 1p44 s LEU 188 Cb 0.07 -1.74 0.05 0.00 0.02 0.00 0.00 46.19 44.59 1p44 s LEU 188 CO 0.03 -0.07 -0.02 -0.69 0.02 0.00 0.00 176.35 175.61 1p44 s VAL 189 N -2.34 0.97 -0.43 -1.59 1.01 -0.29 -2.22 120.40 115.50 1p44 s VAL 189 Ca 0.33 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1p44 s VAL 189 Cb -0.05 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1p44 s VAL 189 CO 0.21 -0.03 0.64 0.00 0.00 0.00 0.00 175.10 175.92 1p44 s ALA 190 N 1.67 3.36 0.20 5.51 0.00 -0.89 0.38 121.76 131.99 1p44 s ALA 190 Ca -0.01 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1p44 s ALA 190 Cb -0.16 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1p44 s ALA 190 CO -0.07 -1.74 0.22 0.00 0.00 0.00 0.00 175.76 174.17 1p44 s ALA 191 N 2.79 3.71 0.80 0.00 0.00 -0.75 -0.98 121.76 127.33 1p44 s ALA 191 Ca 0.22 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1p44 s ALA 191 Cb -0.14 -1.49 0.15 0.00 0.00 0.00 0.00 23.12 21.64 1p44 s ALA 191 CO 0.18 0.38 0.96 0.41 0.00 0.00 0.00 175.76 177.70 1p44 n GLY 192 N -0.84 -0.06 3.55 0.00 0.00 -1.22 -4.62 105.19 102.00 1p44 n GLY 192 Ca -0.08 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 1p44 n GLY 192 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1p44 n PRO 193 N -2.88 0.75 -3.67 1.61 -0.02 -1.26 -5.04 135.00 124.50 1p44 n PRO 193 Ca 0.14 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 1p44 n PRO 193 Cb 0.51 -1.94 -0.11 0.00 -0.02 0.00 0.00 33.50 31.94 1p44 n PRO 193 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1p44 s ILE 194 N -1.58 -0.49 -1.01 4.25 -1.09 -1.26 -4.46 121.20 115.56 1p44 s ILE 194 Ca 0.72 0.18 -0.23 0.00 -2.23 0.00 0.00 60.65 59.08 1p44 s ILE 194 Cb -0.44 -0.61 -0.14 0.00 -1.58 0.00 0.00 42.46 39.70 1p44 s ILE 194 CO 0.51 0.07 1.93 0.54 -1.23 0.00 0.00 174.94 176.76 1p44 n ARG 195 N 5.17 1.37 -2.64 2.79 5.12 -0.21 -4.85 116.66 123.41 1p44 n ARG 195 Ca -0.11 -2.17 -0.33 0.00 -1.93 0.00 0.00 57.85 53.32 1p44 n ARG 195 Cb 0.50 -3.48 -0.05 0.00 -1.16 0.00 0.00 32.46 28.28 1p44 n ARG 195 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1p44 s THR 196 N 9.82 4.47 0.37 0.55 -4.23 -1.26 -4.69 115.64 120.68 1p44 s THR 196 Ca 0.67 1.34 0.22 0.00 -1.18 0.00 0.00 61.69 62.73 1p44 s THR 196 Cb 0.04 -3.66 0.36 0.00 1.34 0.00 0.00 72.50 70.58 1p44 s THR 196 CO 0.15 -0.49 1.57 -0.11 -0.54 0.00 0.00 174.62 175.20 1p44 n LEU 197 N -1.07 0.34 0.01 4.79 0.00 -1.26 -0.03 117.00 119.79 1p44 n LEU 197 Ca 0.07 1.63 -0.10 0.00 0.00 0.00 0.00 56.01 57.60 1p44 n LEU 197 Cb 0.54 -0.80 -0.04 0.00 0.00 0.00 0.00 43.42 43.12 1p44 n LEU 197 CO 0.42 -1.82 0.81 0.00 0.00 0.00 0.00 177.39 176.80 1p44 h ALA 198 N 1.96 -0.01 0.00 1.96 0.00 -1.96 -2.53 119.26 118.67 1p44 h ALA 198 Ca 0.85 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.76 1p44 h ALA 198 Cb 2.27 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 20.22 1p44 h ALA 198 CO -0.74 -0.54 -0.49 0.52 0.00 0.00 0.00 179.25 177.99 1p44 h MET 199 N -0.10 0.00 0.00 0.00 2.86 -0.77 -3.04 114.93 113.88 1p44 h MET 199 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1p44 h MET 199 Cb 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1p44 h MET 199 CO -0.14 0.09 -0.06 0.77 1.06 0.00 0.00 176.91 178.64 1p44 h SER 200 N 0.00 0.00 0.00 1.22 0.02 -0.37 -0.16 113.55 114.27 1p44 h SER 200 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1p44 h SER 200 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1p44 h SER 200 CO 0.01 0.06 -0.07 0.00 -1.14 0.00 0.00 176.83 175.69 1p44 h ALA 201 N 1.94 0.00 -0.85 3.77 0.00 -1.37 -2.95 119.26 119.80 1p44 h ALA 201 Ca -0.00 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.05 1p44 h ALA 201 Cb 0.30 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 1p44 h ALA 201 CO 0.01 0.07 0.18 0.82 0.00 0.00 0.00 179.25 180.33 1p44 h ILE 202 N -0.95 0.33 -0.08 0.00 5.03 -1.39 0.56 117.51 121.00 1p44 h ILE 202 Ca 0.00 -0.07 -0.07 0.00 -0.12 0.00 0.00 64.86 64.60 1p44 h ILE 202 Cb 0.07 0.12 -0.01 0.00 -3.03 0.00 0.00 36.82 33.97 1p44 h ILE 202 CO 0.00 0.03 -0.28 0.58 -0.68 0.00 0.00 178.15 177.80 1p44 h VAL 203 N 0.19 1.24 -0.49 1.67 2.07 -1.17 -2.70 116.25 117.06 1p44 h VAL 203 Ca 0.52 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1p44 h VAL 203 Cb 1.01 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1p44 h VAL 203 CO -0.65 0.34 0.00 0.61 0.02 0.00 0.00 177.57 177.88 1p44 n GLY 204 N -0.57 2.67 0.00 2.17 0.00 0.18 -4.75 105.19 104.90 1p44 n GLY 204 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1p44 n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p44 n GLY 205 N 0.60 0.22 5.55 -0.02 0.00 -0.39 -5.00 105.19 106.15 1p44 n GLY 205 Ca 0.23 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1p44 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 n ALA 206 N -0.69 0.00 -0.80 4.61 0.00 -1.26 -3.93 120.51 118.43 1p44 n ALA 206 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1p44 n ALA 206 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1p44 n ALA 206 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p44 n LEU 207 N 0.00 4.70 0.00 0.00 4.32 -1.26 -4.87 117.00 119.89 1p44 n LEU 207 Ca 0.00 -2.79 0.02 0.00 -0.02 0.00 0.00 56.01 53.21 1p44 n LEU 207 Cb 0.00 -1.11 -0.00 0.00 -1.62 0.00 0.00 43.42 40.68 1p44 n LEU 207 CO 0.00 1.12 -0.02 0.61 -1.22 0.00 0.00 177.39 177.87 1p44 n GLY 208 N 3.01 -2.09 0.01 -0.72 0.00 -1.26 -4.31 105.19 99.83 1p44 n GLY 208 Ca 0.40 -1.43 0.02 0.00 0.00 0.00 0.00 46.02 45.01 1p44 n GLY 208 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p44 n GLU 209 N -0.97 0.93 -0.12 1.61 0.00 -1.26 -4.41 120.64 116.42 1p44 n GLU 209 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 57.16 57.00 1p44 n GLU 209 Cb 0.06 -1.18 0.02 0.00 0.00 0.00 0.00 31.44 30.33 1p44 n GLU 209 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1p44 h GLU 210 N 0.00 0.91 -0.83 5.31 3.07 -1.93 0.97 114.58 122.08 1p44 h GLU 210 Ca -0.05 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.39 1p44 h GLU 210 Cb 0.65 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.50 1p44 h GLU 210 CO 0.00 1.07 0.49 0.00 -1.40 0.00 0.00 179.01 179.17 1p44 h ALA 211 N 0.90 1.30 -0.03 3.43 0.00 -1.80 -0.23 119.26 122.83 1p44 h ALA 211 Ca 0.09 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1p44 h ALA 211 Cb 0.84 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1p44 h ALA 211 CO 0.07 0.59 -0.93 0.78 0.00 0.00 0.00 179.25 179.76 1p44 h GLY 212 N 1.16 0.63 0.97 0.00 0.00 -1.54 -2.98 103.07 101.32 1p44 h GLY 212 Ca 0.30 -1.05 -0.05 0.00 0.00 0.00 0.00 47.33 46.53 1p44 h GLY 212 CO -0.05 0.93 0.09 0.00 0.00 0.00 0.00 176.54 177.50 1p44 h ALA 213 N 0.62 0.64 -0.35 3.60 0.00 -0.47 -1.47 119.26 121.83 1p44 h ALA 213 Ca -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1p44 h ALA 213 Cb 1.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1p44 h ALA 213 CO 0.17 0.36 -0.00 0.37 0.00 0.00 0.00 179.25 180.14 1p44 h GLN 214 N 0.66 0.54 -0.11 0.00 5.75 -1.11 -2.44 115.11 118.41 1p44 h GLN 214 Ca 0.15 -0.12 -0.17 0.00 -0.15 0.00 0.00 58.65 58.36 1p44 h GLN 214 Cb 0.37 -0.08 0.01 0.00 1.07 0.00 0.00 27.48 28.85 1p44 h GLN 214 CO 0.01 0.57 -0.58 0.82 -2.65 0.00 0.00 178.83 177.00 1p44 h ILE 215 N 0.52 1.35 -0.04 2.39 1.08 -1.37 -2.74 117.51 118.70 1p44 h ILE 215 Ca 0.11 -1.88 0.01 0.00 -0.39 0.00 0.00 64.86 62.71 1p44 h ILE 215 Cb 0.34 2.17 -0.02 0.00 -3.07 0.00 0.00 36.82 36.24 1p44 h ILE 215 CO 0.01 0.57 -0.15 -0.61 -0.69 0.00 0.00 178.15 177.28 1p44 h GLN 216 N 0.21 -0.15 0.00 2.37 5.75 -0.90 0.30 115.11 122.69 1p44 h GLN 216 Ca -0.04 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1p44 h GLN 216 Cb 1.23 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1p44 h GLN 216 CO 0.12 -0.10 0.00 1.47 -2.65 0.00 0.00 178.83 177.67 1p44 n LEU 217 N -3.36 0.00 -0.05 -2.39 -0.00 -0.95 -0.66 117.00 109.59 1p44 n LEU 217 Ca -0.02 0.47 -0.11 0.00 -0.00 0.00 0.00 56.01 56.35 1p44 n LEU 217 Cb 0.10 -0.47 -0.10 0.00 -0.00 0.00 0.00 43.42 42.95 1p44 n LEU 217 CO 0.02 -0.30 0.35 0.25 -0.00 0.00 0.00 177.39 177.72 1p44 h LEU 218 N 0.00 -0.02 -1.14 1.47 6.46 -0.65 -2.86 115.31 118.57 1p44 h LEU 218 Ca 0.00 -0.72 -0.04 0.00 -0.12 0.00 0.00 57.88 56.99 1p44 h LEU 218 Cb 0.17 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1p44 h LEU 218 CO 0.00 0.80 0.13 -0.33 -0.62 0.00 0.00 178.44 178.43 1p44 h GLU 219 N -0.93 0.74 -0.31 1.25 5.08 0.18 -2.20 114.58 118.38 1p44 h GLU 219 Ca -0.00 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1p44 h GLU 219 Cb 0.74 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1p44 h GLU 219 CO 0.00 0.66 -0.18 1.49 -1.00 0.00 0.00 179.01 179.99 1p44 h GLU 220 N 0.72 -0.13 0.00 2.33 4.81 -0.94 -2.07 114.58 119.30 1p44 h GLU 220 Ca 0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1p44 h GLU 220 Cb 0.25 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1p44 h GLU 220 CO -0.01 -0.09 0.00 0.41 -0.73 0.00 0.00 179.01 178.60 1p44 n GLY 221 N -1.35 -1.54 0.13 1.92 0.00 -0.99 -2.69 105.19 100.67 1p44 n GLY 221 Ca 0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1p44 n GLY 221 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1p44 h TRP 222 N 0.00 0.48 0.00 1.61 2.91 -0.77 -0.78 115.95 119.41 1p44 h TRP 222 Ca 0.00 -0.25 -0.07 0.00 1.13 0.00 0.00 58.89 59.70 1p44 h TRP 222 Cb 0.57 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 1p44 h TRP 222 CO 0.00 1.05 -0.33 0.22 -1.03 0.00 0.00 178.44 178.35 1p44 h ASP 223 N -0.22 0.00 -0.23 2.65 -0.00 -1.56 0.40 116.42 117.46 1p44 h ASP 223 Ca -0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.85 1p44 h ASP 223 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.48 1p44 h ASP 223 CO 0.09 0.33 -0.29 -0.61 -0.00 0.00 0.00 179.24 178.76 1p44 h GLN 224 N 0.00 0.73 0.10 0.28 4.15 -1.33 -3.32 115.11 115.71 1p44 h GLN 224 Ca -0.00 -0.32 -0.36 0.00 0.77 0.00 0.00 58.65 58.73 1p44 h GLN 224 Cb 0.59 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 1p44 h GLN 224 CO 0.04 0.93 -2.05 0.54 -1.93 0.00 0.00 178.83 176.36 1p44 n ARG 225 N -4.09 0.74 -1.71 1.69 1.74 -0.31 -4.91 116.66 109.80 1p44 n ARG 225 Ca -0.01 0.25 -0.63 0.00 -0.77 0.00 0.00 57.85 56.69 1p44 n ARG 225 Cb 0.47 -1.69 -0.09 0.00 -1.02 0.00 0.00 32.46 30.13 1p44 n ARG 225 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p44 n ALA 226 N -3.00 -1.07 0.03 7.54 0.00 0.10 -4.66 120.51 119.45 1p44 n ALA 226 Ca -0.33 0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.54 1p44 n ALA 226 Cb 1.04 -2.03 0.21 0.00 0.00 0.00 0.00 19.45 18.67 1p44 n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1p44 h PRO 227 N 5.67 0.44 -0.66 0.00 0.11 -1.75 -2.79 132.00 133.01 1p44 h PRO 227 Ca -0.46 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.48 1p44 h PRO 227 Cb 1.35 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1p44 h PRO 227 CO 0.94 0.68 0.00 0.44 -0.21 0.00 0.00 178.00 179.86 1p44 n ILE 228 N -4.10 1.79 0.00 4.15 -5.35 -1.25 -5.05 119.36 109.54 1p44 n ILE 228 Ca -0.01 -1.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.32 1p44 n ILE 228 Cb 0.42 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1p44 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p44 n GLY 229 N 1.15 -1.84 3.04 3.28 0.00 -1.06 -5.02 105.19 104.74 1p44 n GLY 229 Ca 0.25 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1p44 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1p44 s TRP 230 N -2.26 -0.30 -0.31 1.61 -0.11 -1.26 -4.71 118.94 111.59 1p44 s TRP 230 Ca 0.00 0.73 -0.05 0.00 1.22 0.00 0.00 56.10 58.00 1p44 s TRP 230 Cb 0.00 0.03 0.04 0.00 -1.50 0.00 0.00 33.47 32.03 1p44 s TRP 230 CO 0.00 -0.22 0.06 1.21 -4.62 0.00 0.00 176.95 173.38 1p44 s ASN 231 N 1.20 5.08 0.29 5.86 3.84 -1.26 -4.68 114.94 125.27 1p44 s ASN 231 Ca -0.09 -1.08 0.12 0.00 0.21 0.00 0.00 52.86 52.02 1p44 s ASN 231 Cb -0.10 -1.81 0.41 0.00 -0.55 0.00 0.00 41.25 39.20 1p44 s ASN 231 CO -0.08 -0.27 1.64 0.24 -2.79 0.00 0.00 177.10 175.84 1p44 h MET 232 N 8.14 0.00 -1.15 0.43 2.86 -1.98 -3.24 114.93 120.00 1p44 h MET 232 Ca -0.25 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.02 1p44 h MET 232 Cb 1.09 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.56 1p44 h MET 232 CO 0.58 0.58 0.47 0.36 1.06 0.00 0.00 176.91 179.96 1p44 n LYS 233 N -3.78 1.90 -3.50 1.72 2.85 -1.26 -1.04 118.16 115.04 1p44 n LYS 233 Ca -0.01 -1.96 0.01 0.00 -1.05 0.00 0.00 58.31 55.29 1p44 n LYS 233 Cb 0.59 -1.77 -0.03 0.00 -0.65 0.00 0.00 35.03 33.17 1p44 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1p44 s ASP 234 N -0.43 -1.17 0.00 -5.58 -1.08 -1.22 -5.00 116.67 102.19 1p44 s ASP 234 Ca 0.38 1.34 0.22 0.00 -0.52 0.00 0.00 52.55 53.97 1p44 s ASP 234 Cb 0.31 2.23 0.61 0.00 -1.46 0.00 0.00 42.92 44.60 1p44 s ASP 234 CO 0.04 -0.22 1.51 0.00 0.52 0.00 0.00 175.17 177.02 1p44 n ALA 235 N 5.42 2.39 -0.16 3.66 0.00 -1.26 -4.54 120.51 126.02 1p44 n ALA 235 Ca -0.09 -1.21 -0.03 0.00 0.00 0.00 0.00 53.44 52.11 1p44 n ALA 235 Cb 0.50 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 19.08 1p44 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1p44 h THR 236 N 4.22 0.84 -0.67 0.00 2.02 -1.96 0.36 112.91 117.73 1p44 h THR 236 Ca 0.00 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1p44 h THR 236 Cb 0.96 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1p44 h THR 236 CO 0.00 0.07 0.44 -0.65 0.37 0.00 0.00 175.52 175.75 1p44 h PRO 237 N 0.37 0.87 -0.21 6.66 0.11 -1.99 -1.31 132.00 136.50 1p44 h PRO 237 Ca 0.24 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 1p44 h PRO 237 Cb 0.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1p44 h PRO 237 CO -0.24 0.57 0.03 0.28 -0.21 0.00 0.00 178.00 178.44 1p44 h VAL 238 N 0.89 1.23 -0.88 3.15 2.07 -1.68 -2.63 116.25 118.40 1p44 h VAL 238 Ca 0.25 -0.75 0.13 0.00 0.82 0.00 0.00 66.70 67.15 1p44 h VAL 238 Cb -0.09 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 1p44 h VAL 238 CO -0.06 0.23 0.49 0.00 0.02 0.00 0.00 177.57 178.26 1p44 h ALA 239 N 0.83 1.33 0.40 1.67 0.00 0.02 -2.15 119.26 121.37 1p44 h ALA 239 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1p44 h ALA 239 Cb 0.32 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1p44 h ALA 239 CO 0.00 0.01 -0.24 0.87 0.00 0.00 0.00 179.25 179.89 1p44 h LYS 240 N 0.74 -0.59 -0.53 0.00 1.79 -1.02 -2.23 116.57 114.72 1p44 h LYS 240 Ca 0.47 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 59.08 1p44 h LYS 240 Cb 0.58 0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.28 1p44 h LYS 240 CO -0.32 -0.39 -0.00 1.15 -1.08 0.00 0.00 179.45 178.80 1p44 h THR 241 N -0.61 0.58 -0.58 -0.16 2.02 -1.04 0.24 112.91 113.36 1p44 h THR 241 Ca -0.04 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1p44 h THR 241 Cb 0.50 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1p44 h THR 241 CO 0.04 0.02 0.34 0.58 0.37 0.00 0.00 175.52 176.87 1p44 h VAL 242 N 0.12 1.04 -0.80 3.16 2.07 -1.36 0.12 116.25 120.59 1p44 h VAL 242 Ca 0.27 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1p44 h VAL 242 Cb 0.41 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1p44 h VAL 242 CO -0.45 0.12 0.35 0.00 0.02 0.00 0.00 177.57 177.61 1p44 h ALA 244 N 1.23 1.11 0.00 0.00 0.00 0.18 -2.16 119.26 119.62 1p44 h ALA 244 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1p44 h ALA 244 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1p44 h ALA 244 CO -0.03 0.60 0.00 -0.11 0.00 0.00 0.00 179.25 179.71 1p44 n LEU 245 N -4.26 0.00 -0.01 0.00 7.94 0.34 -2.86 117.00 118.14 1p44 n LEU 245 Ca 0.05 0.02 0.05 0.00 -1.11 0.00 0.00 56.01 55.02 1p44 n LEU 245 Cb 0.23 -0.02 -0.11 0.00 0.53 0.00 0.00 43.42 44.05 1p44 n LEU 245 CO 0.41 -0.00 -0.70 0.18 -1.11 0.00 0.00 177.39 176.17 1p44 n LEU 246 N -1.02 0.00 0.00 -1.96 4.77 -0.51 -4.87 117.00 113.42 1p44 n LEU 246 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1p44 n LEU 246 Cb 0.11 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1p44 n LEU 246 CO 0.17 0.04 0.00 -1.54 -1.33 0.00 0.00 177.39 174.73 1p44 n SER 247 N -2.05 0.00 -2.07 -1.43 3.41 -0.89 -4.72 113.62 105.87 1p44 n SER 247 Ca -0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.31 1p44 n SER 247 Cb 0.43 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1p44 n SER 247 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1p44 n ASP 248 N 0.00 5.17 -0.30 4.04 3.85 -1.26 -4.66 116.55 123.39 1p44 n ASP 248 Ca 0.00 -3.75 0.09 0.00 -0.71 0.00 0.00 54.79 50.42 1p44 n ASP 248 Cb 0.00 -0.40 0.17 0.00 -1.35 0.00 0.00 41.12 39.54 1p44 n ASP 248 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1p44 n TRP 249 N -0.72 0.25 -2.76 2.11 7.02 -1.26 -4.67 117.44 117.41 1p44 n TRP 249 Ca 0.45 -0.99 -0.07 0.00 -1.02 0.00 0.00 57.50 55.88 1p44 n TRP 249 Cb 0.93 -0.20 0.04 0.00 -2.42 0.00 0.00 31.31 29.66 1p44 n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1p44 n LEU 250 N -1.19 -3.00 -0.95 -0.99 4.77 -1.26 -5.00 117.00 109.37 1p44 n LEU 250 Ca 0.18 -3.23 0.10 0.00 -0.03 0.00 0.00 56.01 53.02 1p44 n LEU 250 Cb 0.71 0.82 0.26 0.00 -2.33 0.00 0.00 43.42 42.88 1p44 n LEU 250 CO 0.05 1.99 0.72 -0.81 -1.33 0.00 0.00 177.39 178.00 1p44 n PRO 251 N 1.98 2.22 0.00 3.23 -0.04 -1.26 -4.25 135.00 136.87 1p44 n PRO 251 Ca 0.11 -1.87 0.04 0.00 -0.04 0.00 0.00 63.50 61.75 1p44 n PRO 251 Cb 0.61 -1.44 0.01 0.00 -0.04 0.00 0.00 33.50 32.64 1p44 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p44 n ALA 252 N 1.04 2.69 -2.72 0.55 0.00 -1.26 -5.01 120.51 115.80 1p44 n ALA 252 Ca 0.18 -0.44 -0.33 0.00 0.00 0.00 0.00 53.44 52.85 1p44 n ALA 252 Cb 0.47 -0.30 -0.13 0.00 0.00 0.00 0.00 19.45 19.49 1p44 n ALA 252 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1p44 s THR 253 N -1.11 3.25 0.13 0.00 -4.23 -1.26 -5.10 115.64 107.32 1p44 s THR 253 Ca 0.08 -0.63 -0.16 0.00 -1.18 0.00 0.00 61.69 59.80 1p44 s THR 253 Cb 0.07 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1p44 s THR 253 CO 0.19 0.56 0.41 -0.89 -0.54 0.00 0.00 174.62 174.36 1p44 s THR 254 N -0.33 0.06 -1.26 3.99 2.01 -1.26 -4.61 115.64 114.24 1p44 s THR 254 Ca 0.03 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 1p44 s THR 254 Cb -0.13 -1.21 0.07 0.00 0.01 0.00 0.00 72.50 71.25 1p44 s THR 254 CO 0.02 -0.29 0.46 0.61 -0.69 0.00 0.00 174.62 174.73 1p44 n GLY 255 N -0.24 -0.48 3.59 4.40 0.00 0.46 -4.92 105.19 108.00 1p44 n GLY 255 Ca -0.15 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1p44 n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p44 n ASP 256 N -2.25 3.00 -3.73 1.61 4.64 -1.23 -4.63 116.55 113.95 1p44 n ASP 256 Ca -0.02 -3.22 -0.29 0.00 -1.38 0.00 0.00 54.79 49.88 1p44 n ASP 256 Cb 0.54 0.48 -0.15 0.00 -1.04 0.00 0.00 41.12 40.95 1p44 n ASP 256 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1p44 s ILE 257 N -2.88 0.80 -0.28 5.18 1.01 -1.26 -0.80 121.20 122.97 1p44 s ILE 257 Ca 0.04 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.30 1p44 s ILE 257 Cb 0.00 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1p44 s ILE 257 CO 0.03 -0.57 0.53 -0.63 0.00 0.00 0.00 174.94 174.30 1p44 s ILE 258 N 1.67 5.04 -0.11 2.92 1.01 -0.94 -4.93 121.20 125.86 1p44 s ILE 258 Ca 0.07 0.79 -0.23 0.00 0.00 0.00 0.00 60.65 61.28 1p44 s ILE 258 Cb -0.17 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1p44 s ILE 258 CO -0.22 0.00 0.71 -0.31 0.00 0.00 0.00 174.94 175.12 1p44 s TYR 259 N 2.37 3.50 -0.56 3.97 1.51 -1.26 -2.10 117.35 124.78 1p44 s TYR 259 Ca 0.21 1.17 0.07 0.00 -1.01 0.00 0.00 57.07 57.51 1p44 s TYR 259 Cb -0.15 -2.84 0.25 0.00 -0.11 0.00 0.00 41.96 39.11 1p44 s TYR 259 CO 0.10 -0.03 0.67 0.00 -1.11 0.00 0.00 175.55 175.18 1p44 n ALA 260 N 4.32 3.55 -0.38 3.71 0.00 -0.16 -4.78 120.51 126.78 1p44 n ALA 260 Ca -0.00 -4.34 0.00 0.00 0.00 0.00 0.00 53.44 49.10 1p44 n ALA 260 Cb 0.50 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1p44 n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1p44 n ASP 261 N 1.07 1.17 -0.31 0.00 3.85 -1.25 -3.40 116.55 117.67 1p44 n ASP 261 Ca 0.27 -1.55 -0.03 0.00 -0.71 0.00 0.00 54.79 52.77 1p44 n ASP 261 Cb 0.44 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.21 1p44 n ASP 261 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p44 n GLY 262 N -0.27 0.39 3.43 6.12 0.00 -1.26 -3.32 105.19 110.27 1p44 n GLY 262 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1p44 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p44 n GLY 263 N -1.64 0.54 0.31 -0.02 0.00 -1.26 -2.44 105.19 100.67 1p44 n GLY 263 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1p44 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 h ALA 264 N 0.00 1.30 0.00 4.61 0.00 -1.82 -0.48 119.26 122.86 1p44 h ALA 264 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1p44 h ALA 264 Cb 0.01 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1p44 h ALA 264 CO 0.00 -0.51 0.00 -2.39 0.00 0.00 0.00 179.25 176.35 1p44 n HIS 265 N -5.27 0.64 0.21 0.00 1.44 -1.26 -2.23 115.22 108.75 1p44 n HIS 265 Ca 0.22 0.27 0.10 0.00 -2.01 0.00 0.00 57.72 56.30 1p44 n HIS 265 Cb 0.72 -0.93 0.27 0.00 0.12 0.00 0.00 29.99 30.17 1p44 n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1p44 n THR 266 N -2.10 0.71 -5.05 0.61 -2.24 -0.19 -4.88 114.28 101.15 1p44 n THR 266 Ca 0.02 -0.76 -0.30 0.00 -2.27 0.00 0.00 64.05 60.74 1p44 n THR 266 Cb 0.17 0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 68.71 1p44 n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1p44 s GLN 267 N -1.29 2.54 -0.01 -0.78 -1.52 -0.95 -5.01 119.66 112.65 1p44 s GLN 267 Ca 0.39 -0.75 0.00 0.00 -1.95 0.00 0.00 55.36 53.05 1p44 s GLN 267 Cb 0.21 -2.00 -0.26 0.00 -0.22 0.00 0.00 33.01 30.73 1p44 s GLN 267 CO 0.28 0.18 0.81 1.25 -0.25 0.00 0.00 175.29 177.56 1p44 h LEU 268 N 6.62 0.30 0.00 2.90 5.85 -1.89 -3.49 115.31 125.59 1p44 h LEU 268 Ca -0.25 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.02 1p44 h LEU 268 Cb 1.21 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1p44 h LEU 268 CO 0.47 1.38 0.00 -0.11 -0.34 0.00 0.00 178.44 179.84