#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p44 n GLY 3 N 0.00 4.36 0.20 3.38 0.00 -1.26 -4.16 105.19 107.71 1p44 n GLY 3 Ca 0.00 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.68 1p44 n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p44 h LEU 4 N 0.00 0.00 -3.42 0.99 6.46 -1.93 -3.31 115.31 114.11 1p44 h LEU 4 Ca 0.00 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.57 1p44 h LEU 4 Cb 0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 40.66 39.71 1p44 h LEU 4 CO 0.00 0.00 -0.75 0.18 -0.62 0.00 0.00 178.44 177.25 1p44 n LEU 5 N -2.86 2.75 -4.73 2.25 7.99 -1.06 -4.78 117.00 116.55 1p44 n LEU 5 Ca 0.04 -3.62 -0.42 0.00 -0.01 0.00 0.00 56.01 52.00 1p44 n LEU 5 Cb 0.46 -0.28 -0.02 0.00 -0.11 0.00 0.00 43.42 43.48 1p44 n LEU 5 CO 0.32 1.34 1.19 -0.67 -1.51 0.00 0.00 177.39 178.06 1p44 n ASP 6 N -0.64 3.64 -2.91 -1.43 2.03 -1.17 -2.10 116.55 113.96 1p44 n ASP 6 Ca 0.21 1.15 -0.18 0.00 0.52 0.00 0.00 54.79 56.49 1p44 n ASP 6 Cb 0.86 -1.56 0.06 0.00 -0.72 0.00 0.00 41.12 39.76 1p44 n ASP 6 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p44 n GLY 7 N 2.07 -0.21 3.35 0.27 0.00 -1.24 -5.01 105.19 104.42 1p44 n GLY 7 Ca 0.09 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.96 2.81 -0.39 1.61 3.01 -0.89 -5.06 119.74 114.87 1p44 s LYS 8 Ca 0.43 -0.79 -0.12 0.00 -1.01 0.00 0.00 55.97 54.48 1p44 s LYS 8 Cb -0.19 -2.36 0.03 0.00 -1.01 0.00 0.00 37.83 34.30 1p44 s LYS 8 CO 0.57 0.38 0.25 1.03 0.51 0.00 0.00 175.35 178.09 1p44 s ARG 9 N -0.13 2.86 -0.18 1.68 1.81 -1.26 -1.79 118.95 121.94 1p44 s ARG 9 Ca -0.03 -1.10 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 1p44 s ARG 9 Cb -0.14 -3.83 0.04 0.00 -0.45 0.00 0.00 34.95 30.58 1p44 s ARG 9 CO 0.04 -0.74 -0.08 0.42 -0.68 0.00 0.00 175.30 174.25 1p44 s ILE 10 N 1.59 1.39 -0.07 1.52 1.01 -0.38 0.12 121.20 126.38 1p44 s ILE 10 Ca 0.03 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 1p44 s ILE 10 Cb -0.20 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1p44 s ILE 10 CO 0.07 0.15 0.70 -0.22 0.00 0.00 0.00 174.94 175.64 1p44 s LEU 11 N 1.51 4.31 -0.09 2.97 0.20 0.70 -1.97 118.68 126.30 1p44 s LEU 11 Ca -0.00 1.17 0.01 0.00 0.69 0.00 0.00 54.13 55.99 1p44 s LEU 11 Cb -0.16 -3.07 0.02 0.00 -0.43 0.00 0.00 46.19 42.55 1p44 s LEU 11 CO -0.08 -0.12 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.08 1p44 s VAL 12 N 0.85 1.00 0.49 1.68 1.01 0.08 -1.02 120.40 124.49 1p44 s VAL 12 Ca 0.37 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1p44 s VAL 12 Cb -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1p44 s VAL 12 CO 0.18 0.35 0.32 -0.94 0.00 0.00 0.00 175.10 175.00 1p44 s SER 13 N 1.31 4.62 0.00 3.32 1.04 -0.91 -2.98 113.70 120.10 1p44 s SER 13 Ca -0.03 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1p44 s SER 13 Cb -0.14 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1p44 s SER 13 CO -0.04 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1p44 n GLY 14 N -1.56 0.41 3.76 7.32 0.00 -1.26 -3.94 105.19 109.92 1p44 n GLY 14 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.13 2.99 0.00 -0.61 1.01 -1.26 -4.71 121.20 116.49 1p44 s ILE 15 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1p44 s ILE 15 Cb 0.00 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1p44 s ILE 15 CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 174.94 174.66 1p44 n ILE 16 N -2.51 0.00 -4.16 2.92 3.06 -1.26 -4.85 119.36 112.56 1p44 n ILE 16 Ca 0.11 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.26 1p44 n ILE 16 Cb 0.52 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.60 1p44 n ILE 16 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1p44 s THR 17 N -0.29 0.10 -1.92 9.51 2.01 -1.26 -4.90 115.64 118.89 1p44 s THR 17 Ca 0.00 -1.93 0.29 0.00 0.31 0.00 0.00 61.69 60.36 1p44 s THR 17 Cb 0.00 -2.14 0.59 0.00 0.01 0.00 0.00 72.50 70.95 1p44 s THR 17 CO 0.00 -0.37 1.92 -0.90 -0.69 0.00 0.00 174.62 174.59 1p44 n ASP 18 N -0.14 0.58 -0.51 3.53 3.85 -1.26 -3.23 116.55 119.37 1p44 n ASP 18 Ca -0.04 -0.88 0.05 0.00 -0.71 0.00 0.00 54.79 53.21 1p44 n ASP 18 Cb 0.64 -0.04 0.11 0.00 -1.35 0.00 0.00 41.12 40.48 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 -0.72 2.57 -4.81 -1.12 3.41 -1.26 -4.77 113.62 106.91 1p44 n SER 19 Ca 0.18 -1.87 -0.34 0.00 -0.26 0.00 0.00 58.87 56.58 1p44 n SER 19 Cb 0.25 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 1p44 n SER 19 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1p44 s SER 20 N -0.95 7.04 0.27 4.04 1.04 -1.20 -4.69 113.70 119.25 1p44 s SER 20 Ca 0.18 1.68 -0.00 0.00 0.48 0.00 0.00 55.95 58.29 1p44 s SER 20 Cb 0.10 -2.53 0.56 0.00 0.10 0.00 0.00 66.02 64.25 1p44 s SER 20 CO 0.13 -0.25 1.75 0.40 0.98 0.00 0.00 173.24 176.25 1p44 h ILE 21 N 2.14 0.69 -0.09 -1.02 2.04 -1.92 -0.14 117.51 119.21 1p44 h ILE 21 Ca -0.48 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1p44 h ILE 21 Cb 1.18 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1p44 h ILE 21 CO 0.63 0.11 0.03 0.00 0.00 0.00 0.00 178.15 178.92 1p44 h ALA 22 N 1.58 1.89 -0.16 1.87 0.00 -1.88 0.46 119.26 123.03 1p44 h ALA 22 Ca 0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1p44 h ALA 22 Cb 0.72 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1p44 h ALA 22 CO -0.39 0.10 0.03 0.35 0.00 0.00 0.00 179.25 179.34 1p44 h PHE 23 N 0.13 0.27 -0.31 0.00 3.04 -1.28 0.20 116.94 118.99 1p44 h PHE 23 Ca 0.03 -0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.77 1p44 h PHE 23 Cb 0.03 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 1p44 h PHE 23 CO 0.00 0.41 -0.49 0.45 -2.02 0.00 0.00 178.31 176.66 1p44 h HIS 24 N 0.05 1.09 -0.69 0.41 3.86 -1.30 0.32 115.15 118.89 1p44 h HIS 24 Ca 0.05 -0.37 0.06 0.00 -1.16 0.00 0.00 60.37 58.94 1p44 h HIS 24 Cb 0.28 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 1p44 h HIS 24 CO 0.01 1.20 0.46 0.82 0.86 0.00 0.00 177.93 181.28 1p44 h ILE 25 N 0.67 1.03 0.08 2.45 2.04 0.04 -1.48 117.51 122.33 1p44 h ILE 25 Ca 0.03 -0.25 -0.25 0.00 1.00 0.00 0.00 64.86 65.38 1p44 h ILE 25 Cb 1.09 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1p44 h ILE 25 CO 0.11 0.13 -1.14 0.00 0.00 0.00 0.00 178.15 177.25 1p44 h ALA 26 N 1.62 0.20 0.22 1.87 0.00 -0.19 -2.51 119.26 120.47 1p44 h ALA 26 Ca 0.29 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1p44 h ALA 26 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1p44 h ALA 26 CO -0.09 1.03 -0.11 -0.09 0.00 0.00 0.00 179.25 179.99 1p44 h ARG 27 N 0.06 -0.28 -0.99 0.00 2.43 0.59 -1.86 114.38 114.33 1p44 h ARG 27 Ca -0.09 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.29 1p44 h ARG 27 Cb 1.87 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 31.39 1p44 h ARG 27 CO 0.18 -0.19 0.62 0.28 -1.51 0.00 0.00 179.97 179.35 1p44 h VAL 28 N -0.31 0.69 -0.27 0.20 2.07 -1.49 -0.46 116.25 116.67 1p44 h VAL 28 Ca -0.03 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1p44 h VAL 28 Cb 0.23 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 1p44 h VAL 28 CO 0.05 0.12 -0.33 0.00 0.02 0.00 0.00 177.57 177.43 1p44 h ALA 29 N 1.63 -0.56 -0.03 1.67 0.00 -1.23 -1.27 119.26 119.47 1p44 h ALA 29 Ca 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.38 1p44 h ALA 29 Cb 0.98 0.98 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1p44 h ALA 29 CO -0.33 -0.73 -0.40 1.96 0.00 0.00 0.00 179.25 179.75 1p44 h GLN 30 N -0.22 0.06 -0.11 0.00 4.20 -0.48 -2.13 115.11 116.42 1p44 h GLN 30 Ca 0.05 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.77 1p44 h GLN 30 Cb 0.34 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1p44 h GLN 30 CO -0.37 0.45 0.17 0.93 -0.67 0.00 0.00 178.83 179.34 1p44 h GLU 31 N 0.05 0.00 -0.69 1.46 5.08 -0.08 0.43 114.58 120.82 1p44 h GLU 31 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1p44 h GLU 31 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1p44 h GLU 31 CO 0.05 0.00 0.06 1.04 -1.00 0.00 0.00 179.01 179.16 1p44 n GLN 32 N -3.57 3.99 -1.29 2.33 1.13 -0.58 -4.89 117.38 114.51 1p44 n GLN 32 Ca 0.00 -2.59 -0.07 0.00 -1.94 0.00 0.00 57.00 52.41 1p44 n GLN 32 Cb 0.27 -2.12 -0.03 0.00 0.11 0.00 0.00 30.24 28.48 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 0.36 0.81 3.79 1.08 0.00 0.15 -2.57 105.19 108.82 1p44 n GLY 33 Ca 0.26 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.25 3.59 -0.05 4.61 0.00 -1.15 -3.60 121.76 122.91 1p44 s ALA 34 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 1p44 s ALA 34 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1p44 s ALA 34 CO 0.00 0.29 0.38 -1.14 0.00 0.00 0.00 175.76 175.29 1p44 s GLN 35 N -0.45 3.99 0.28 0.00 2.00 -0.74 -3.93 119.66 120.81 1p44 s GLN 35 Ca 0.26 0.33 0.12 0.00 -2.00 0.00 0.00 55.36 54.06 1p44 s GLN 35 Cb -0.17 -3.28 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 1p44 s GLN 35 CO 0.13 0.56 -0.18 -0.51 -0.50 0.00 0.00 175.29 174.80 1p44 s LEU 36 N -0.63 2.66 -0.29 3.68 1.43 -1.26 -1.25 118.68 123.03 1p44 s LEU 36 Ca 0.22 -0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1p44 s LEU 36 Cb -0.16 -1.17 0.09 0.00 0.03 0.00 0.00 46.19 44.99 1p44 s LEU 36 CO 0.11 0.03 0.10 -0.69 0.23 0.00 0.00 176.35 176.13 1p44 s VAL 37 N -2.49 0.56 0.27 -1.59 1.01 -0.83 -4.27 120.40 113.05 1p44 s VAL 37 Ca 0.30 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 1p44 s VAL 37 Cb -0.05 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.88 1p44 s VAL 37 CO 0.16 -0.62 0.60 -0.76 0.00 0.00 0.00 175.10 174.48 1p44 s LEU 38 N 1.79 4.11 0.18 3.92 1.43 -1.08 -0.74 118.68 128.29 1p44 s LEU 38 Ca 0.08 0.98 0.09 0.00 -1.03 0.00 0.00 54.13 54.25 1p44 s LEU 38 Cb -0.17 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1p44 s LEU 38 CO -0.26 -0.13 -0.18 0.42 0.23 0.00 0.00 176.35 176.43 1p44 s THR 39 N -1.92 1.89 0.18 5.49 -4.23 -1.16 -0.38 115.64 115.51 1p44 s THR 39 Ca 0.49 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1p44 s THR 39 Cb -0.11 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1p44 s THR 39 CO 0.22 -0.35 0.00 -0.83 -0.54 0.00 0.00 174.62 173.13 1p44 s GLY 40 N -2.82 1.29 0.00 3.99 0.00 0.61 -4.26 107.32 106.13 1p44 s GLY 40 Ca 0.18 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1p44 s GLY 40 CO 0.07 -1.55 0.00 0.33 0.00 0.00 0.00 173.10 171.95 1p44 n PHE 41 N -0.28 0.00 0.00 1.90 7.35 -1.26 0.68 117.46 125.86 1p44 n PHE 41 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1p44 n PHE 41 Cb 0.63 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.46 1p44 n PHE 41 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1p44 n ASP 42 N -0.19 4.92 -4.37 -2.13 3.85 -1.26 -4.47 116.55 112.90 1p44 n ASP 42 Ca 0.00 0.00 -0.44 0.00 -0.71 0.00 0.00 54.79 53.64 1p44 n ASP 42 Cb 0.00 0.56 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 1p44 n ASP 42 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1p44 n ARG 43 N -1.91 3.44 0.22 0.11 1.74 -1.26 -4.82 116.66 114.18 1p44 n ARG 43 Ca 0.00 -3.88 0.15 0.00 -0.77 0.00 0.00 57.85 53.35 1p44 n ARG 43 Cb 0.43 -2.97 0.76 0.00 -1.02 0.00 0.00 32.46 29.65 1p44 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1p44 h LEU 44 N 9.12 0.00 0.00 0.55 -0.00 -1.96 -2.13 115.31 120.88 1p44 h LEU 44 Ca 0.31 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.86 1p44 h LEU 44 Cb 0.84 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.43 1p44 h LEU 44 CO 1.27 0.00 -2.35 0.54 -0.00 0.00 0.00 178.44 177.90 1p44 n ARG 45 N -2.59 0.69 0.00 1.13 5.12 -1.26 -3.92 116.66 115.82 1p44 n ARG 45 Ca -0.01 -0.03 0.14 0.00 -1.93 0.00 0.00 57.85 56.02 1p44 n ARG 45 Cb 0.12 -1.52 0.62 0.00 -1.16 0.00 0.00 32.46 30.52 1p44 n ARG 45 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1p44 n LEU 46 N -2.71 0.04 -0.68 0.55 4.32 -0.97 -2.72 117.00 114.84 1p44 n LEU 46 Ca -0.30 0.42 0.06 0.00 -0.02 0.00 0.00 56.01 56.17 1p44 n LEU 46 Cb 1.11 -0.44 0.17 0.00 -1.62 0.00 0.00 43.42 42.64 1p44 n LEU 46 CO 0.43 0.01 0.64 -0.38 -1.22 0.00 0.00 177.39 176.88 1p44 n ILE 47 N -1.45 1.27 -0.10 -0.08 5.41 -0.84 -4.51 119.36 119.05 1p44 n ILE 47 Ca 0.08 -1.18 -0.21 0.00 1.00 0.00 0.00 62.75 62.45 1p44 n ILE 47 Cb 0.32 0.34 -0.07 0.00 -0.71 0.00 0.00 39.64 39.52 1p44 n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p44 n GLN 48 N 0.28 0.43 0.00 0.38 1.13 -1.10 -3.58 117.38 114.92 1p44 n GLN 48 Ca 0.13 0.18 0.03 0.00 -1.94 0.00 0.00 57.00 55.40 1p44 n GLN 48 Cb 0.52 -1.24 0.16 0.00 0.11 0.00 0.00 30.24 29.79 1p44 n GLN 48 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1p44 n ARG 49 N -3.79 0.22 -0.05 -1.09 1.85 -1.18 -1.62 116.66 111.01 1p44 n ARG 49 Ca -0.39 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.35 1p44 n ARG 49 Cb 0.79 -1.38 -0.04 0.00 -1.05 0.00 0.00 32.46 30.78 1p44 n ARG 49 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1p44 n ILE 50 N -0.88 0.80 1.12 8.89 5.41 -1.26 -4.54 119.36 128.89 1p44 n ILE 50 Ca 0.04 -0.07 0.09 0.00 1.00 0.00 0.00 62.75 63.81 1p44 n ILE 50 Cb 0.02 -1.71 0.51 0.00 -0.71 0.00 0.00 39.64 37.74 1p44 n ILE 50 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1p44 n THR 51 N -3.61 0.00 0.81 1.39 -2.24 -1.05 -0.63 114.28 108.94 1p44 n THR 51 Ca -0.20 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.71 1p44 n THR 51 Cb 0.57 -0.70 0.33 0.00 -2.10 0.00 0.00 70.33 68.43 1p44 n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1p44 n ASP 52 N -0.98 0.50 -0.01 3.42 9.92 -0.64 -3.07 116.55 125.69 1p44 n ASP 52 Ca 0.13 0.15 0.12 0.00 -0.53 0.00 0.00 54.79 54.66 1p44 n ASP 52 Cb 0.06 -0.10 0.30 0.00 -0.64 0.00 0.00 41.12 40.74 1p44 n ASP 52 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1p44 n ARG 53 N -1.80 0.02 -2.10 -1.24 5.12 0.19 -4.91 116.66 111.94 1p44 n ARG 53 Ca 0.05 -0.01 -0.38 0.00 -1.93 0.00 0.00 57.85 55.58 1p44 n ARG 53 Cb 0.38 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 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 -2.99 4.02 0.05 0.55 1.43 -1.18 -4.94 118.68 115.63 1p44 s LEU 54 Ca 0.12 2.49 -0.09 0.00 -1.03 0.00 0.00 54.13 55.61 1p44 s LEU 54 Cb 0.18 -4.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 1p44 s LEU 54 CO 0.68 -1.06 0.99 -2.65 0.23 0.00 0.00 176.35 174.54 1p44 n PRO 55 N -0.48 -0.13 -3.45 1.29 -0.02 -1.26 -4.67 135.00 126.28 1p44 n PRO 55 Ca 0.07 0.98 -0.21 0.00 -2.02 0.00 0.00 63.50 62.33 1p44 n PRO 55 Cb 0.46 -1.46 -0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1p44 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1p44 s ALA 56 N -4.41 4.26 -0.47 3.55 0.00 -1.26 -5.07 121.76 118.35 1p44 s ALA 56 Ca -0.04 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 49.83 1p44 s ALA 56 Cb 0.03 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 22.05 1p44 s ALA 56 CO 0.19 -0.33 1.16 -1.59 0.00 0.00 0.00 175.76 175.19 1p44 s LYS 57 N -4.25 3.71 -0.09 0.00 0.00 -1.26 -5.01 119.74 112.85 1p44 s LYS 57 Ca 0.49 0.59 0.02 0.00 0.00 0.00 0.00 55.97 57.07 1p44 s LYS 57 Cb -0.04 -3.92 0.01 0.00 0.00 0.00 0.00 37.83 33.88 1p44 s LYS 57 CO 0.29 -1.40 -0.14 0.00 0.00 0.00 0.00 175.35 174.10 1p44 s ALA 58 N 4.54 1.49 0.58 0.59 0.00 -1.26 -4.90 121.76 122.80 1p44 s ALA 58 Ca 0.49 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.68 1p44 s ALA 58 Cb -0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1p44 s ALA 58 CO 0.32 -0.00 1.17 -1.25 0.00 0.00 0.00 175.76 176.00 1p44 s PRO 59 N 0.87 3.08 0.40 0.00 0.04 -1.26 -4.87 135.00 133.26 1p44 s PRO 59 Ca -0.10 1.71 0.08 0.00 0.04 0.00 0.00 61.00 62.73 1p44 s PRO 59 Cb -0.15 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 1p44 s PRO 59 CO 0.01 -1.09 0.51 -1.17 0.04 0.00 0.00 177.00 175.29 1p44 s LEU 60 N -4.05 3.69 -0.00 -3.56 0.20 -1.26 -2.64 118.68 111.06 1p44 s LEU 60 Ca 0.75 -0.41 -0.19 0.00 0.69 0.00 0.00 54.13 54.97 1p44 s LEU 60 Cb -0.27 -2.58 0.04 0.00 -0.43 0.00 0.00 46.19 42.95 1p44 s LEU 60 CO 0.32 -0.65 0.41 -0.76 -0.29 0.00 0.00 176.35 175.37 1p44 s LEU 61 N -4.26 0.44 -0.41 -0.68 1.43 0.48 -4.88 118.68 110.81 1p44 s LEU 61 Ca 0.51 0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 1p44 s LEU 61 Cb -0.09 1.64 0.02 0.00 0.03 0.00 0.00 46.19 47.79 1p44 s LEU 61 CO 0.32 -0.54 0.41 -0.70 0.23 0.00 0.00 176.35 176.07 1p44 s GLU 62 N -1.66 3.16 -0.14 1.70 2.12 -1.26 0.22 118.70 122.84 1p44 s GLU 62 Ca -0.11 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.47 1p44 s GLU 62 Cb -0.03 -3.94 0.05 0.00 0.26 0.00 0.00 34.13 30.46 1p44 s GLU 62 CO 0.03 -0.79 0.02 -1.17 -0.54 0.00 0.00 175.26 172.81 1p44 s LEU 63 N 2.08 0.94 -0.45 2.70 2.96 0.21 -4.83 118.68 122.29 1p44 s LEU 63 Ca 0.11 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1p44 s LEU 63 Cb -0.17 -0.54 0.12 0.00 0.50 0.00 0.00 46.19 46.10 1p44 s LEU 63 CO 0.13 -0.26 0.27 -0.62 -1.32 0.00 0.00 176.35 174.55 1p44 s ASP 64 N 1.90 5.38 0.60 3.68 3.68 -1.26 -4.15 116.67 126.51 1p44 s ASP 64 Ca 0.02 -2.10 0.27 0.00 2.13 0.00 0.00 52.55 52.87 1p44 s ASP 64 Cb -0.15 -1.88 1.11 0.00 -1.45 0.00 0.00 42.92 40.55 1p44 s ASP 64 CO -0.07 -0.56 1.50 -0.37 0.13 0.00 0.00 175.17 175.80 1p44 h VAL 65 N 6.17 0.11 0.00 1.11 -1.51 -1.97 0.61 116.25 120.77 1p44 h VAL 65 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1p44 h VAL 65 Cb 1.04 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1p44 h VAL 65 CO 0.74 0.00 -0.26 1.56 -1.23 0.00 0.00 177.57 178.38 1p44 h GLN 66 N 0.00 0.00 -6.55 5.19 4.20 -1.94 -3.45 115.11 112.56 1p44 h GLN 66 Ca 0.39 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.54 1p44 h GLN 66 Cb 2.34 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 30.05 1p44 h GLN 66 CO -0.00 0.00 0.91 1.21 -0.67 0.00 0.00 178.83 180.27 1p44 s ASN 67 N -5.05 6.73 0.31 1.46 3.84 0.21 -4.92 114.94 117.52 1p44 s ASN 67 Ca 0.07 0.72 0.04 0.00 0.21 0.00 0.00 52.86 53.90 1p44 s ASN 67 Cb 0.10 -2.55 0.64 0.00 -0.55 0.00 0.00 41.25 38.89 1p44 s ASN 67 CO 0.67 -1.13 1.86 -0.08 -2.79 0.00 0.00 177.10 175.64 1p44 h GLU 68 N 8.90 0.88 -0.02 0.43 4.57 -1.86 -2.84 114.58 124.63 1p44 h GLU 68 Ca -0.22 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 57.73 1p44 h GLU 68 Cb 1.06 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1p44 h GLU 68 CO 1.09 0.58 -0.65 0.93 -1.18 0.00 0.00 179.01 179.78 1p44 h GLU 69 N 0.90 0.48 -0.71 1.92 5.08 -1.94 -3.00 114.58 117.31 1p44 h GLU 69 Ca 0.46 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1p44 h GLU 69 Cb 0.51 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1p44 h GLU 69 CO -0.22 1.13 0.43 0.45 -1.00 0.00 0.00 179.01 179.80 1p44 h HIS 70 N 0.01 0.92 0.49 4.33 3.86 -1.84 -2.35 115.15 120.57 1p44 h HIS 70 Ca -0.08 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1p44 h HIS 70 Cb 1.34 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1p44 h HIS 70 CO 0.13 0.61 -0.24 -0.07 0.86 0.00 0.00 177.93 179.23 1p44 h LEU 71 N 0.97 -0.56 0.00 2.43 -0.00 -1.59 0.62 115.31 117.18 1p44 h LEU 71 Ca 0.26 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1p44 h LEU 71 Cb -0.05 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1p44 h LEU 71 CO -0.05 -0.17 0.04 0.00 -0.00 0.00 0.00 178.44 178.26 1p44 n ALA 72 N -2.62 0.96 -0.01 1.53 0.00 -1.13 -1.08 120.51 118.15 1p44 n ALA 72 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.37 1p44 n ALA 72 Cb 0.31 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 1p44 n ALA 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1p44 n SER 73 N -1.42 2.57 -0.22 0.00 3.41 -0.89 -4.62 113.62 112.45 1p44 n SER 73 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1p44 n SER 73 Cb 0.04 1.35 0.12 0.00 -0.26 0.00 0.00 64.21 65.46 1p44 n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1p44 h LEU 74 N 0.00 -0.27 -7.70 1.04 6.46 0.77 -3.07 115.31 112.55 1p44 h LEU 74 Ca -0.05 0.16 -0.52 0.00 -0.12 0.00 0.00 57.88 57.35 1p44 h LEU 74 Cb 0.69 0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 40.86 1p44 h LEU 74 CO 0.00 -0.12 1.75 0.00 -0.62 0.00 0.00 178.44 179.45 1p44 n ALA 75 N -2.83 2.85 0.00 1.25 0.00 -1.25 -2.17 120.51 118.36 1p44 n ALA 75 Ca 0.11 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.12 1p44 n ALA 75 Cb 0.40 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.30 1p44 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p44 n GLY 76 N 5.43 1.60 0.14 0.00 0.00 -1.21 -4.93 105.19 106.23 1p44 n GLY 76 Ca 0.47 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 1p44 n GLY 76 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p44 h ARG 77 N 0.00 0.40 -0.73 1.61 3.08 -1.39 0.31 114.38 117.67 1p44 h ARG 77 Ca 0.00 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 59.82 1p44 h ARG 77 Cb 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 1p44 h ARG 77 CO 0.00 0.87 0.46 0.28 -1.07 0.00 0.00 179.97 180.50 1p44 h VAL 78 N -0.01 1.09 -0.07 2.04 2.07 -1.72 -2.49 116.25 117.16 1p44 h VAL 78 Ca 0.00 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1p44 h VAL 78 Cb 0.86 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1p44 h VAL 78 CO 0.06 0.16 -0.42 0.74 0.02 0.00 0.00 177.57 178.13 1p44 h THR 79 N 0.88 1.31 -0.98 2.57 2.02 -1.75 -2.82 112.91 114.15 1p44 h THR 79 Ca 0.30 -1.51 -0.60 0.00 0.77 0.00 0.00 66.41 65.37 1p44 h THR 79 Cb 0.04 1.73 -0.25 0.00 -1.74 0.00 0.00 68.15 67.93 1p44 h THR 79 CO -0.12 0.45 0.77 -1.84 0.37 0.00 0.00 175.52 175.14 1p44 n GLU 80 N -4.02 2.47 0.00 6.66 -0.00 0.08 -2.75 120.64 123.08 1p44 n GLU 80 Ca -0.02 -2.86 0.00 0.00 -0.00 0.00 0.00 57.16 54.29 1p44 n GLU 80 Cb 0.47 -2.12 0.00 0.00 -0.00 0.00 0.00 31.44 29.79 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 -0.50 0.00 -0.06 -1.84 0.00 -1.19 -4.87 120.51 112.05 1p44 n ALA 81 Ca 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.96 1p44 n ALA 81 Cb 0.59 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.84 0.00 0.00 -5.35 -1.07 -5.03 119.36 108.76 1p44 n ILE 82 Ca 0.00 -0.72 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 1p44 n ILE 82 Cb 0.00 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 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 1.56 0.93 1.61 3.28 0.00 -1.15 -4.89 105.19 106.53 1p44 n GLY 83 Ca -0.22 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 1p44 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 n ALA 84 N 0.00 0.13 0.00 4.61 0.00 -1.11 0.48 120.51 124.63 1p44 n ALA 84 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1p44 n ALA 84 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1p44 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p44 n GLY 85 N 3.04 1.00 3.33 0.00 0.00 -1.26 -5.10 105.19 106.19 1p44 n GLY 85 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.23 3.86 0.09 1.61 0.01 0.18 -5.12 114.94 115.34 1p44 s ASN 86 Ca 0.00 -0.39 0.02 0.00 -0.71 0.00 0.00 52.86 51.79 1p44 s ASN 86 Cb 0.00 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 1p44 s ASN 86 CO 0.00 0.13 0.15 -0.54 -1.51 0.00 0.00 177.10 175.33 1p44 s LYS 87 N 0.53 3.11 0.60 -0.60 1.02 -1.26 -4.77 119.74 118.37 1p44 s LYS 87 Ca -0.09 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.08 1p44 s LYS 87 Cb -0.16 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1p44 s LYS 87 CO 0.04 0.56 1.16 -0.51 -0.92 0.00 0.00 175.35 175.68 1p44 s LEU 88 N -2.63 3.61 -0.12 3.17 1.43 0.50 -4.55 118.68 120.09 1p44 s LEU 88 Ca 0.32 2.23 0.17 0.00 -1.03 0.00 0.00 54.13 55.81 1p44 s LEU 88 Cb -0.12 -4.58 -0.25 0.00 0.03 0.00 0.00 46.19 41.27 1p44 s LEU 88 CO 0.25 -1.52 0.20 0.47 0.23 0.00 0.00 176.35 175.97 1p44 n ASP 89 N -1.76 0.65 -3.52 2.29 8.00 0.33 0.58 116.55 123.12 1p44 n ASP 89 Ca 0.12 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.49 1p44 n ASP 89 Cb 0.51 1.30 -0.04 0.00 -0.02 0.00 0.00 41.12 42.87 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 -4.78 -0.49 0.03 0.44 0.00 0.74 -1.30 107.32 101.96 1p44 s GLY 90 Ca -0.08 0.48 0.04 0.00 0.00 0.00 0.00 44.72 45.16 1p44 s GLY 90 CO 0.75 0.17 -0.13 0.14 0.00 0.00 0.00 173.10 174.03 1p44 s VAL 91 N -3.15 1.01 -0.32 1.40 1.01 -0.96 -0.22 120.40 119.18 1p44 s VAL 91 Ca -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1p44 s VAL 91 Cb -0.00 -0.92 0.10 0.00 0.00 0.00 0.00 36.38 35.56 1p44 s VAL 91 CO -0.07 -0.00 0.09 -0.69 0.00 0.00 0.00 175.10 174.43 1p44 s VAL 92 N -0.82 1.05 -1.03 2.92 1.01 -0.18 -1.77 120.40 121.58 1p44 s VAL 92 Ca 0.01 -1.53 -0.18 0.00 0.00 0.00 0.00 61.98 60.27 1p44 s VAL 92 Cb -0.07 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.63 1p44 s VAL 92 CO 0.01 -0.67 1.28 -2.28 0.00 0.00 0.00 175.10 173.44 1p44 s HIS 93 N 1.51 3.08 -0.71 5.22 2.46 -0.47 -2.15 115.29 124.23 1p44 s HIS 93 Ca 0.10 -1.47 0.01 0.00 0.47 0.00 0.00 55.06 54.17 1p44 s HIS 93 Cb -0.18 -4.39 0.37 0.00 -0.13 0.00 0.00 32.58 28.26 1p44 s HIS 93 CO -0.23 -1.56 1.59 0.45 -2.47 0.00 0.00 174.74 172.52 1p44 n SER 94 N 6.85 6.28 -3.96 9.88 2.88 -1.25 -3.03 113.62 131.27 1p44 n SER 94 Ca 0.30 -3.76 -0.30 0.00 -1.33 0.00 0.00 58.87 53.77 1p44 n SER 94 Cb 0.48 -0.83 -0.16 0.00 -0.75 0.00 0.00 64.21 62.95 1p44 n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1p44 s ILE 95 N -5.06 1.60 0.17 2.46 1.01 -1.26 -4.24 121.20 115.88 1p44 s ILE 95 Ca 0.49 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.96 1p44 s ILE 95 Cb 0.38 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 1p44 s ILE 95 CO -0.28 -0.05 -0.06 -0.83 0.00 0.00 0.00 174.94 173.72 1p44 s GLY 96 N 1.37 1.22 -0.19 6.18 0.00 -1.26 -4.43 107.32 110.22 1p44 s GLY 96 Ca -0.05 -1.58 -0.30 0.00 0.00 0.00 0.00 44.72 42.78 1p44 s GLY 96 CO -0.06 -1.61 1.10 -0.12 0.00 0.00 0.00 173.10 172.41 1p44 s PHE 97 N -3.39 -0.27 -0.30 1.90 5.36 -1.26 -4.94 117.98 115.08 1p44 s PHE 97 Ca 0.21 0.43 -0.13 0.00 -0.96 0.00 0.00 56.93 56.48 1p44 s PHE 97 Cb 0.04 0.47 0.16 0.00 -0.34 0.00 0.00 43.02 43.35 1p44 s PHE 97 CO 0.03 -0.26 0.90 1.41 -1.46 0.00 0.00 175.22 175.84 1p44 s MET 98 N -1.24 0.36 0.24 10.12 -2.45 -1.26 -4.48 119.30 120.59 1p44 s MET 98 Ca 0.02 0.87 -0.31 0.00 -1.25 0.00 0.00 55.69 55.02 1p44 s MET 98 Cb -0.01 0.52 -0.13 0.00 1.25 0.00 0.00 34.83 36.47 1p44 s MET 98 CO -0.02 -0.15 1.55 -0.35 1.05 0.00 0.00 175.02 177.09 1p44 n PRO 99 N 5.13 2.40 0.12 4.11 -0.04 -1.26 -4.78 135.00 140.69 1p44 n PRO 99 Ca -0.09 0.86 0.01 0.00 -0.04 0.00 0.00 63.50 64.24 1p44 n PRO 99 Cb 0.52 -2.60 0.08 0.00 -0.04 0.00 0.00 33.50 31.45 1p44 n PRO 99 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1p44 n GLN 100 N 2.54 0.03 0.09 0.54 7.27 -1.26 0.18 117.38 126.77 1p44 n GLN 100 Ca 0.12 0.40 0.11 0.00 0.07 0.00 0.00 57.00 57.70 1p44 n GLN 100 Cb 0.33 -2.15 0.45 0.00 2.41 0.00 0.00 30.24 31.28 1p44 n GLN 100 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1p44 n THR 101 N -1.65 0.78 -1.11 1.69 5.66 -1.26 -2.44 114.28 115.96 1p44 n THR 101 Ca -0.00 0.14 0.09 0.00 -3.05 0.00 0.00 64.05 61.23 1p44 n THR 101 Cb 0.57 -1.01 0.16 0.00 -1.55 0.00 0.00 70.33 68.51 1p44 n THR 101 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1p44 n GLY 102 N 0.28 4.79 1.94 1.09 0.00 0.47 -4.32 105.19 109.43 1p44 n GLY 102 Ca 0.03 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 1p44 n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p44 n MET 103 N -1.28 0.48 0.00 1.61 2.81 -1.02 -2.73 117.12 116.99 1p44 n MET 103 Ca 0.17 -1.41 0.00 0.00 -1.81 0.00 0.00 57.70 54.65 1p44 n MET 103 Cb 0.69 1.50 0.00 0.00 -0.71 0.00 0.00 33.22 34.70 1p44 n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p44 n GLY 104 N -0.31 3.24 0.01 3.03 0.00 -1.22 -3.25 105.19 106.69 1p44 n GLY 104 Ca -0.02 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1p44 n GLY 104 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p44 n ILE 105 N 0.00 0.00 -1.53 -0.61 -5.35 -1.26 -4.19 119.36 106.42 1p44 n ILE 105 Ca 0.00 -0.39 -0.44 0.00 -0.27 0.00 0.00 62.75 61.65 1p44 n ILE 105 Cb 0.00 0.15 -0.05 0.00 -1.74 0.00 0.00 39.64 38.01 1p44 n ILE 105 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1p44 n ASN 106 N -2.07 2.57 -3.39 7.28 5.15 -1.20 -4.82 115.26 118.77 1p44 n ASN 106 Ca -0.03 0.12 -0.46 0.00 -0.60 0.00 0.00 54.58 53.61 1p44 n ASN 106 Cb 0.46 -1.44 -0.07 0.00 -0.53 0.00 0.00 39.78 38.20 1p44 n ASN 106 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1p44 n PRO 107 N 8.63 0.00 -0.38 1.20 -0.04 -1.26 -4.64 135.00 138.51 1p44 n PRO 107 Ca 0.37 0.00 0.33 0.00 -0.04 0.00 0.00 63.50 64.16 1p44 n PRO 107 Cb 0.38 -1.10 0.60 0.00 -0.04 0.00 0.00 33.50 33.34 1p44 n PRO 107 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1p44 h PHE 108 N 2.84 0.72 0.00 0.54 3.04 -1.93 0.38 116.94 122.53 1p44 h PHE 108 Ca -0.35 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.55 1p44 h PHE 108 Cb 1.03 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1p44 h PHE 108 CO 0.45 -0.34 -0.41 0.74 -2.02 0.00 0.00 178.31 176.72 1p44 h PHE 109 N 0.07 0.00 -0.04 0.41 0.04 -1.97 -3.30 116.94 112.15 1p44 h PHE 109 Ca 0.83 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.60 1p44 h PHE 109 Cb 2.35 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.49 1p44 h PHE 109 CO -0.01 0.40 0.01 -0.25 -0.60 0.00 0.00 178.31 177.86 1p44 n ASP 110 N -3.19 1.70 -4.45 2.17 10.43 0.13 -4.77 116.55 118.57 1p44 n ASP 110 Ca 0.02 -2.06 -0.41 0.00 2.57 0.00 0.00 54.79 54.91 1p44 n ASP 110 Cb 0.70 -0.51 -0.11 0.00 1.84 0.00 0.00 41.12 43.04 1p44 n ASP 110 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1p44 s ALA 111 N -0.89 3.40 0.75 2.24 0.00 -1.24 -4.95 121.76 121.07 1p44 s ALA 111 Ca 0.03 -1.62 -0.15 0.00 0.00 0.00 0.00 51.96 50.23 1p44 s ALA 111 Cb 0.03 -2.71 0.05 0.00 0.00 0.00 0.00 23.12 20.49 1p44 s ALA 111 CO 0.01 -1.29 1.22 -2.14 0.00 0.00 0.00 175.76 173.56 1p44 s PRO 112 N 1.64 1.96 0.19 0.00 0.02 -1.26 -4.92 135.00 132.64 1p44 s PRO 112 Ca 0.04 1.81 0.11 0.00 0.02 0.00 0.00 61.00 62.98 1p44 s PRO 112 Cb -0.19 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 1p44 s PRO 112 CO 0.09 -1.98 1.36 -0.92 -0.33 0.00 0.00 177.00 175.21 1p44 h TYR 113 N -0.46 0.00 -0.43 6.54 3.20 -1.98 -2.91 116.97 120.93 1p44 h TYR 113 Ca -0.47 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.49 1p44 h TYR 113 Cb 1.30 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 1p44 h TYR 113 CO 0.46 0.77 0.30 0.00 -1.64 0.00 0.00 178.16 178.04 1p44 h ALA 114 N 1.23 2.22 0.00 1.82 0.00 -1.99 0.57 119.26 123.11 1p44 h ALA 114 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p44 h ALA 114 Cb 1.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1p44 h ALA 114 CO 0.10 -0.33 -1.23 -0.40 0.00 0.00 0.00 179.25 177.39 1p44 n ASP 115 N -4.45 0.68 0.09 0.00 5.68 -1.23 -3.10 116.55 114.24 1p44 n ASP 115 Ca 0.07 -0.62 -0.20 0.00 -0.50 0.00 0.00 54.79 53.53 1p44 n ASP 115 Cb 0.40 1.20 -0.15 0.00 -1.14 0.00 0.00 41.12 41.43 1p44 n ASP 115 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1p44 h VAL 116 N 0.00 1.18 -0.35 2.12 2.07 -0.92 -2.58 116.25 117.78 1p44 h VAL 116 Ca 0.00 -2.74 -0.12 0.00 0.82 0.00 0.00 66.70 64.65 1p44 h VAL 116 Cb 0.65 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1p44 h VAL 116 CO 0.00 0.84 -0.28 -1.28 0.02 0.00 0.00 177.57 176.87 1p44 h SER 117 N 0.10 0.75 -0.74 0.57 0.87 -0.09 0.19 113.55 115.19 1p44 h SER 117 Ca -0.26 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 59.98 1p44 h SER 117 Cb 2.07 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.79 1p44 h SER 117 CO 0.20 0.99 0.33 0.50 -0.53 0.00 0.00 176.83 178.32 1p44 h LYS 118 N 0.62 1.08 -0.58 2.24 3.64 -1.60 0.31 116.57 122.28 1p44 h LYS 118 Ca 0.08 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 1p44 h LYS 118 Cb 0.79 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1p44 h LYS 118 CO 0.07 0.86 0.04 0.78 -2.27 0.00 0.00 179.45 178.93 1p44 h GLY 119 N 1.05 1.08 1.73 5.01 0.00 -0.99 -2.87 103.07 108.09 1p44 h GLY 119 Ca 0.25 -0.77 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 1p44 h GLY 119 CO -0.03 0.71 -0.66 -2.22 0.00 0.00 0.00 176.54 174.33 1p44 h ILE 120 N 0.90 1.40 0.63 2.60 2.04 -0.20 -1.90 117.51 122.98 1p44 h ILE 120 Ca 0.17 -2.10 -0.02 0.00 1.00 0.00 0.00 64.86 63.90 1p44 h ILE 120 Cb 0.50 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1p44 h ILE 120 CO 0.02 0.62 -0.48 -0.74 0.00 0.00 0.00 178.15 177.58 1p44 h HIS 121 N 0.19 -1.30 -0.18 1.37 2.76 -0.20 0.29 115.15 118.08 1p44 h HIS 121 Ca -0.02 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.05 1p44 h HIS 121 Cb 1.20 0.48 -0.01 0.00 1.55 0.00 0.00 27.41 30.63 1p44 h HIS 121 CO 0.03 -0.68 -0.34 0.82 -1.30 0.00 0.00 177.93 176.46 1p44 h ILE 122 N -1.07 1.29 0.14 6.26 2.04 -1.59 -1.43 117.51 123.15 1p44 h ILE 122 Ca -0.08 -1.40 -0.25 0.00 1.00 0.00 0.00 64.86 64.13 1p44 h ILE 122 Cb 0.88 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1p44 h ILE 122 CO 0.02 0.43 -1.18 0.28 0.00 0.00 0.00 178.15 177.71 1p44 h SER 123 N 0.32 0.46 0.00 1.72 0.02 -1.26 -3.40 113.55 111.41 1p44 h SER 123 Ca 0.04 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 1p44 h SER 123 Cb 0.75 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1p44 h SER 123 CO 0.06 1.54 -0.83 0.00 -1.14 0.00 0.00 176.83 176.45 1p44 n ALA 124 N -2.83 1.06 -0.30 3.77 0.00 0.07 -4.69 120.51 117.59 1p44 n ALA 124 Ca -0.20 -0.70 -0.01 0.00 0.00 0.00 0.00 53.44 52.53 1p44 n ALA 124 Cb 0.89 0.05 0.11 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.83 0.99 0.00 0.00 3.20 -1.44 -2.27 116.97 116.61 1p44 h TYR 125 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1p44 h TYR 125 Cb 0.83 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1p44 h TYR 125 CO -0.36 0.55 0.13 0.66 -1.64 0.00 0.00 178.16 177.50 1p44 h SER 126 N 1.01 0.00 0.06 -2.11 4.64 -1.48 0.40 113.55 116.08 1p44 h SER 126 Ca 0.34 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.49 1p44 h SER 126 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1p44 h SER 126 CO -0.13 0.00 -0.60 0.22 -0.87 0.00 0.00 176.83 175.45 1p44 h TYR 127 N 0.00 0.69 0.00 4.77 3.20 -1.68 -2.25 116.97 121.70 1p44 h TYR 127 Ca 0.00 -0.26 -0.16 0.00 3.14 0.00 0.00 58.73 61.44 1p44 h TYR 127 Cb 0.25 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1p44 h TYR 127 CO 0.00 1.01 -0.82 0.00 -1.64 0.00 0.00 178.16 176.71 1p44 h ALA 128 N 0.93 0.52 -0.18 1.82 0.00 -0.38 -2.80 119.26 119.18 1p44 h ALA 128 Ca -0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 54.91 54.02 1p44 h ALA 128 Cb 1.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1p44 h ALA 128 CO 0.11 0.97 -0.57 0.66 0.00 0.00 0.00 179.25 180.42 1p44 h SER 129 N 0.00 0.63 -0.17 0.00 4.64 -1.24 -1.63 113.55 115.79 1p44 h SER 129 Ca -0.02 -0.34 -0.21 0.00 -0.47 0.00 0.00 61.79 60.74 1p44 h SER 129 Cb 1.60 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.51 1p44 h SER 129 CO 0.10 1.06 -0.70 0.24 -0.87 0.00 0.00 176.83 176.66 1p44 h MET 130 N 0.43 0.80 -0.66 4.77 2.07 -1.45 -2.59 114.93 118.29 1p44 h MET 130 Ca 0.00 -0.60 -0.06 0.00 -2.07 0.00 0.00 59.70 56.98 1p44 h MET 130 Cb 1.12 0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 30.93 1p44 h MET 130 CO 0.11 1.22 0.19 0.00 1.07 0.00 0.00 176.91 179.49 1p44 h ALA 131 N 0.63 1.09 0.00 6.32 0.00 -1.47 0.06 119.26 125.89 1p44 h ALA 131 Ca -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1p44 h ALA 131 Cb 1.32 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p44 h ALA 131 CO 0.15 0.62 -0.10 -0.22 0.00 0.00 0.00 179.25 179.69 1p44 h LYS 132 N 0.98 0.00 0.00 0.00 3.64 -1.21 -1.28 116.57 118.71 1p44 h LYS 132 Ca 0.21 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.24 1p44 h LYS 132 Cb 0.30 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1p44 h LYS 132 CO -0.01 0.10 -2.27 0.00 -2.27 0.00 0.00 179.45 175.01 1p44 n ALA 133 N -2.26 1.51 -0.03 5.00 0.00 -0.81 -4.61 120.51 119.32 1p44 n ALA 133 Ca -0.02 -1.23 0.01 0.00 0.00 0.00 0.00 53.44 52.20 1p44 n ALA 133 Cb 0.23 -0.30 -0.14 0.00 0.00 0.00 0.00 19.45 19.23 1p44 n ALA 133 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p44 n LEU 134 N -2.80 0.21 -0.34 0.00 4.77 -0.06 -4.36 117.00 114.42 1p44 n LEU 134 Ca -0.30 0.09 0.16 0.00 -0.03 0.00 0.00 56.01 55.93 1p44 n LEU 134 Cb 1.13 0.20 0.37 0.00 -2.33 0.00 0.00 43.42 42.80 1p44 n LEU 134 CO 0.43 0.21 1.18 -0.07 -1.33 0.00 0.00 177.39 177.82 1p44 h LEU 135 N 0.00 0.70 -2.42 2.23 4.07 -1.45 0.97 115.31 119.41 1p44 h LEU 135 Ca -0.24 0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.84 1p44 h LEU 135 Cb 1.59 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 43.33 1p44 h LEU 135 CO 0.02 0.18 0.05 -0.65 -1.08 0.00 0.00 178.44 176.97 1p44 h PRO 136 N 0.64 0.00 -0.28 1.13 0.11 -1.83 -2.43 132.00 129.34 1p44 h PRO 136 Ca 0.61 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.59 1p44 h PRO 136 Cb 1.10 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1p44 h PRO 136 CO -0.41 0.00 -0.12 0.44 -0.21 0.00 0.00 178.00 177.70 1p44 n ILE 137 N -3.81 2.45 -4.29 4.15 -5.35 0.32 -5.03 119.36 107.81 1p44 n ILE 137 Ca -0.02 -2.69 -0.32 0.00 -0.27 0.00 0.00 62.75 59.45 1p44 n ILE 137 Cb 0.14 -0.30 -0.09 0.00 -1.74 0.00 0.00 39.64 37.65 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 -3.18 2.67 0.46 6.28 -1.94 -0.92 0.19 119.30 122.86 1p44 s MET 138 Ca 0.43 -0.69 -0.22 0.00 -1.71 0.00 0.00 55.69 53.50 1p44 s MET 138 Cb 0.39 -2.60 -0.08 0.00 2.01 0.00 0.00 34.83 34.55 1p44 s MET 138 CO 0.00 0.60 1.08 -0.80 -0.01 0.00 0.00 175.02 175.89 1p44 s ASN 139 N -1.69 6.34 0.31 3.03 0.01 0.20 -4.84 114.94 118.29 1p44 s ASN 139 Ca 0.20 2.07 -0.29 0.00 -0.71 0.00 0.00 52.86 54.14 1p44 s ASN 139 Cb -0.11 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.87 1p44 s ASN 139 CO 0.11 -0.79 1.31 -2.16 -1.51 0.00 0.00 177.10 174.07 1p44 s PRO 140 N -2.92 4.36 0.00 -0.60 0.04 -1.26 -1.33 135.00 133.30 1p44 s PRO 140 Ca 0.65 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1p44 s PRO 140 Cb -0.22 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1p44 s PRO 140 CO 0.26 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1p44 n GLY 141 N 1.03 0.74 0.00 0.56 0.00 0.26 -4.98 105.19 102.80 1p44 n GLY 141 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.38 -3.20 3.46 -0.02 0.00 -0.44 -4.80 105.19 97.80 1p44 n GLY 142 Ca 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.82 -0.87 -0.19 1.61 0.15 -0.42 -2.94 113.70 109.22 1p44 s SER 143 Ca 0.00 1.28 -0.08 0.00 0.70 0.00 0.00 55.95 57.85 1p44 s SER 143 Cb 0.00 1.98 -0.04 0.00 -1.71 0.00 0.00 66.02 66.25 1p44 s SER 143 CO 0.00 -0.23 0.07 -0.63 1.20 0.00 0.00 173.24 173.65 1p44 s ILE 144 N 2.80 4.87 0.01 6.45 1.01 -0.48 -2.27 121.20 133.59 1p44 s ILE 144 Ca -0.01 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1p44 s ILE 144 Cb -0.12 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 1p44 s ILE 144 CO -0.17 0.46 -0.10 0.54 0.00 0.00 0.00 174.94 175.66 1p44 s VAL 145 N 0.39 0.81 0.15 2.92 0.11 -0.73 -1.75 120.40 122.30 1p44 s VAL 145 Ca 0.04 -0.58 0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1p44 s VAL 145 Cb -0.12 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1p44 s VAL 145 CO -0.00 0.12 -0.10 -0.83 -3.33 0.00 0.00 175.10 170.96 1p44 s GLY 146 N -0.52 1.07 -0.33 6.54 0.00 -0.10 -1.37 107.32 112.61 1p44 s GLY 146 Ca 0.02 -1.48 -0.14 0.00 0.00 0.00 0.00 44.72 43.13 1p44 s GLY 146 CO 0.00 -1.58 0.28 1.06 0.00 0.00 0.00 173.10 172.86 1p44 s MET 147 N -3.69 3.56 0.39 2.90 -1.94 -1.17 0.11 119.30 119.46 1p44 s MET 147 Ca 0.16 -0.53 0.08 0.00 -1.71 0.00 0.00 55.69 53.69 1p44 s MET 147 Cb 0.02 -3.79 -0.05 0.00 2.01 0.00 0.00 34.83 33.02 1p44 s MET 147 CO 0.01 -0.45 0.19 0.34 -0.01 0.00 0.00 175.02 175.09 1p44 s ASP 148 N 1.73 4.57 -0.33 3.03 3.68 0.34 -4.87 116.67 124.83 1p44 s ASP 148 Ca 0.08 -0.94 -0.01 0.00 2.13 0.00 0.00 52.55 53.81 1p44 s ASP 148 Cb -0.17 -0.57 0.13 0.00 -1.45 0.00 0.00 42.92 40.86 1p44 s ASP 148 CO 0.11 -0.47 0.20 0.12 0.13 0.00 0.00 175.17 175.26 1p44 s PHE 149 N -2.53 0.44 0.00 -5.34 2.19 -1.26 -1.60 117.98 109.88 1p44 s PHE 149 Ca 0.41 -1.23 0.00 0.00 0.33 0.00 0.00 56.93 56.44 1p44 s PHE 149 Cb 0.01 -0.84 0.00 0.00 -1.31 0.00 0.00 43.02 40.87 1p44 s PHE 149 CO 0.23 -0.84 0.00 -3.47 1.83 0.00 0.00 175.22 172.97 1p44 n ASP 150 N 4.55 0.00 -1.63 6.13 4.64 -1.26 -4.85 116.55 124.13 1p44 n ASP 150 Ca 0.05 0.00 0.07 0.00 -1.38 0.00 0.00 54.79 53.53 1p44 n ASP 150 Cb 0.40 0.00 0.37 0.00 -1.04 0.00 0.00 41.12 40.85 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 4.39 0.13 -0.67 -0.04 -1.26 -4.64 135.00 132.91 1p44 n PRO 151 Ca 0.00 -3.09 -0.14 0.00 -0.04 0.00 0.00 63.50 60.23 1p44 n PRO 151 Cb 0.00 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.22 1p44 n PRO 151 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1p44 h SER 152 N 3.41 -0.24 -2.55 3.54 0.02 -1.96 -3.44 113.55 112.33 1p44 h SER 152 Ca 0.00 -0.11 -0.54 0.00 -0.84 0.00 0.00 61.79 60.30 1p44 h SER 152 Cb 1.85 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 64.42 1p44 h SER 152 CO 0.43 -0.04 -0.48 -0.13 -1.14 0.00 0.00 176.83 175.46 1p44 s ARG 153 N -5.53 3.32 0.62 3.45 1.81 -1.26 -5.10 118.95 116.27 1p44 s ARG 153 Ca -0.15 -0.67 -0.13 0.00 -1.72 0.00 0.00 55.73 53.06 1p44 s ARG 153 Cb 0.04 -2.89 -0.03 0.00 -0.45 0.00 0.00 34.95 31.62 1p44 s ARG 153 CO 0.63 0.51 1.04 0.00 -0.68 0.00 0.00 175.30 176.79 1p44 s ALA 154 N -1.77 2.88 -0.17 2.13 0.00 -1.26 -5.07 121.76 118.50 1p44 s ALA 154 Ca 0.34 0.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.21 1p44 s ALA 154 Cb -0.11 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 19.92 1p44 s ALA 154 CO 0.27 -0.82 0.53 0.00 0.00 0.00 0.00 175.76 175.75 1p44 s MET 155 N -4.74 0.68 0.45 0.00 0.23 -1.26 -5.16 119.30 109.50 1p44 s MET 155 Ca 0.58 0.61 -0.23 0.00 -1.03 0.00 0.00 55.69 55.62 1p44 s MET 155 Cb -0.13 0.33 -0.10 0.00 -1.53 0.00 0.00 34.83 33.40 1p44 s MET 155 CO 0.47 -0.11 0.97 -0.35 -2.03 0.00 0.00 175.02 173.97 1p44 n PRO 156 N 2.43 1.25 0.00 3.16 -0.04 -1.26 -3.73 135.00 136.81 1p44 n PRO 156 Ca -0.15 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1p44 n PRO 156 Cb 0.56 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.70 0.00 -0.43 0.55 0.00 -1.26 -4.59 120.51 114.08 1p44 n ALA 157 Ca 0.10 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.91 1p44 n ALA 157 Cb 0.40 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.50 1p44 n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1p44 h TYR 158 N 0.00 0.59 0.00 0.00 -0.00 -1.83 -3.22 116.97 112.51 1p44 h TYR 158 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 1p44 h TYR 158 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 36.59 1p44 h TYR 158 CO 0.00 -0.29 0.00 0.09 -0.00 0.00 0.00 178.16 177.96 1p44 n ASN 159 N -4.83 0.00 0.32 -2.11 4.13 -1.25 -1.75 115.26 109.77 1p44 n ASN 159 Ca 0.39 0.00 0.20 0.00 1.68 0.00 0.00 54.58 56.84 1p44 n ASN 159 Cb 1.45 0.00 1.07 0.00 -1.54 0.00 0.00 39.78 40.76 1p44 n ASN 159 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1p44 h TRP 160 N 0.00 0.00 -0.23 3.10 4.06 -1.78 -0.66 115.95 120.45 1p44 h TRP 160 Ca 0.00 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 1p44 h TRP 160 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1p44 h TRP 160 CO 0.00 0.01 -0.48 1.98 -3.56 0.00 0.00 178.44 176.39 1p44 h MET 161 N 0.00 0.60 -0.27 0.49 4.05 -1.48 -1.79 114.93 116.54 1p44 h MET 161 Ca -0.00 -0.35 0.01 0.00 -0.28 0.00 0.00 59.70 59.08 1p44 h MET 161 Cb 0.06 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1p44 h MET 161 CO 0.00 0.95 0.16 1.15 0.23 0.00 0.00 176.91 179.40 1p44 h THR 162 N 0.48 1.04 -0.84 -0.77 2.02 -1.15 0.47 112.91 114.16 1p44 h THR 162 Ca 0.02 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.15 1p44 h THR 162 Cb 1.02 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 1p44 h THR 162 CO 0.09 0.06 0.52 0.58 0.37 0.00 0.00 175.52 177.14 1p44 h VAL 163 N 0.33 1.04 -0.28 3.16 2.07 -1.27 -1.21 116.25 120.09 1p44 h VAL 163 Ca 0.10 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1p44 h VAL 163 Cb -0.01 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1p44 h VAL 163 CO -0.04 0.17 0.18 0.00 0.02 0.00 0.00 177.57 177.90 1p44 h ALA 164 N 1.39 0.36 -0.97 1.67 0.00 -0.38 -2.85 119.26 118.48 1p44 h ALA 164 Ca 0.36 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1p44 h ALA 164 Cb 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1p44 h ALA 164 CO -0.17 -0.15 0.64 0.87 0.00 0.00 0.00 179.25 180.44 1p44 h LYS 165 N 0.37 1.26 0.00 0.00 1.79 -0.30 0.15 116.57 119.83 1p44 h LYS 165 Ca 0.10 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1p44 h LYS 165 Cb -0.01 -0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 30.35 1p44 h LYS 165 CO -0.02 0.83 -0.05 0.77 -1.08 0.00 0.00 179.45 179.90 1p44 h SER 166 N 1.30 0.00 0.87 0.86 0.02 -1.05 0.55 113.55 116.10 1p44 h SER 166 Ca 0.36 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1p44 h SER 166 Cb -0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1p44 h SER 166 CO -0.08 0.05 -1.19 0.00 -1.14 0.00 0.00 176.83 174.46 1p44 h ALA 167 N 1.95 0.61 -0.21 3.77 0.00 -0.83 -3.13 119.26 121.42 1p44 h ALA 167 Ca -0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1p44 h ALA 167 Cb 0.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1p44 h ALA 167 CO 0.01 0.56 -0.48 1.25 0.00 0.00 0.00 179.25 180.58 1p44 h LEU 168 N 0.00 0.60 -0.16 0.00 7.12 0.14 -1.31 115.31 121.70 1p44 h LEU 168 Ca -0.09 -0.29 -0.21 0.00 0.13 0.00 0.00 57.88 57.41 1p44 h LEU 168 Cb 1.35 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 1p44 h LEU 168 CO 0.03 0.98 -0.96 -0.33 -0.13 0.00 0.00 178.44 178.03 1p44 h GLU 169 N 0.44 0.15 0.94 1.25 5.08 -1.43 -1.39 114.58 119.61 1p44 h GLU 169 Ca 0.02 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1p44 h GLU 169 Cb 1.01 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1p44 h GLU 169 CO 0.09 1.00 -0.45 1.03 -1.00 0.00 0.00 179.01 179.68 1p44 h SER 170 N 0.07 -1.06 -0.99 1.42 0.87 -1.47 -2.62 113.55 109.77 1p44 h SER 170 Ca -0.05 0.04 0.18 0.00 -1.23 0.00 0.00 61.79 60.73 1p44 h SER 170 Cb 1.63 0.28 -0.10 0.00 -0.44 0.00 0.00 62.40 63.77 1p44 h SER 170 CO 0.14 -0.75 0.61 0.58 -0.53 0.00 0.00 176.83 176.88 1p44 h VAL 171 N -1.27 0.73 -0.62 2.23 2.07 -1.26 -1.57 116.25 116.57 1p44 h VAL 171 Ca -0.13 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.22 1p44 h VAL 171 Cb 0.96 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1p44 h VAL 171 CO 0.21 0.13 0.28 -1.13 0.02 0.00 0.00 177.57 177.09 1p44 h ASN 172 N 0.73 0.36 -0.98 0.57 -1.24 -0.95 -0.91 115.58 113.16 1p44 h ASN 172 Ca 0.55 0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.65 1p44 h ASN 172 Cb 0.89 -0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.88 1p44 h ASN 172 CO -0.32 0.22 0.64 0.03 -1.29 0.00 0.00 177.43 176.71 1p44 h ARG 173 N 0.51 1.21 -0.09 6.67 3.08 -0.93 -1.88 114.38 122.95 1p44 h ARG 173 Ca 0.30 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.09 1p44 h ARG 173 Cb 0.29 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1p44 h ARG 173 CO -0.25 0.80 -0.71 0.74 -1.07 0.00 0.00 179.97 179.48 1p44 h PHE 174 N 1.24 0.56 0.00 3.04 -1.00 -1.37 -3.04 116.94 116.37 1p44 h PHE 174 Ca 0.39 -0.24 -0.09 0.00 2.81 0.00 0.00 57.97 60.84 1p44 h PHE 174 Cb -0.00 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1p44 h PHE 174 CO -0.00 0.99 -0.43 0.28 -1.61 0.00 0.00 178.31 177.54 1p44 h VAL 175 N 0.29 1.23 0.00 -0.55 2.07 -0.90 -2.85 116.25 115.53 1p44 h VAL 175 Ca -0.03 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 1p44 h VAL 175 Cb 1.29 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1p44 h VAL 175 CO 0.12 0.42 -0.15 0.00 0.02 0.00 0.00 177.57 177.98 1p44 h ALA 176 N 1.57 1.28 0.00 1.67 0.00 -1.22 -1.83 119.26 120.72 1p44 h ALA 176 Ca -0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1p44 h ALA 176 Cb 0.79 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1p44 h ALA 176 CO 0.06 0.19 -1.17 0.07 0.00 0.00 0.00 179.25 178.40 1p44 h ARG 177 N 0.00 0.00 -0.16 0.00 0.11 -1.56 -2.98 114.38 109.79 1p44 h ARG 177 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 1p44 h ARG 177 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1p44 h ARG 177 CO 0.02 0.18 -0.33 0.93 0.10 0.00 0.00 179.97 180.87 1p44 h GLU 178 N 0.00 0.50 0.00 0.08 4.39 -1.40 -3.14 114.58 115.01 1p44 h GLU 178 Ca -0.09 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1p44 h GLU 178 Cb 1.34 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1p44 h GLU 178 CO 0.03 0.94 0.00 0.00 -1.16 0.00 0.00 179.01 178.82 1p44 n ALA 179 N -2.50 1.97 -0.16 3.43 0.00 -0.73 -3.40 120.51 119.13 1p44 n ALA 179 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 1p44 n ALA 179 Cb 0.49 -1.40 0.13 0.00 0.00 0.00 0.00 19.45 18.66 1p44 n ALA 179 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1p44 h GLY 180 N 3.45 0.98 0.88 0.00 0.00 -1.47 0.46 103.07 107.37 1p44 h GLY 180 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1p44 h GLY 180 CO 0.00 0.59 0.00 0.28 0.00 0.00 0.00 176.54 177.41 1p44 n LYS 181 N -4.22 0.69 0.00 4.80 5.02 -1.22 -0.82 118.16 122.40 1p44 n LYS 181 Ca 0.03 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.34 1p44 n LYS 181 Cb 0.29 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1p44 n LYS 181 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1p44 n TYR 182 N -0.94 0.00 -1.82 2.13 4.02 -0.68 -4.98 117.16 114.88 1p44 n TYR 182 Ca 0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.94 1p44 n TYR 182 Cb 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.37 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 0.22 0.44 3.44 2.72 0.00 -0.00 -4.25 105.19 107.76 1p44 n GLY 183 Ca 0.02 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.45 3.38 0.54 1.61 1.01 0.15 0.93 120.40 125.57 1p44 s VAL 184 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1p44 s VAL 184 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1p44 s VAL 184 CO 0.00 0.53 0.95 0.00 0.00 0.00 0.00 175.10 176.58 1p44 s ARG 185 N 0.11 3.71 -0.07 2.72 3.03 -1.15 -3.69 118.95 123.60 1p44 s ARG 185 Ca -0.04 0.69 -0.03 0.00 2.03 0.00 0.00 55.73 58.38 1p44 s ARG 185 Cb -0.14 -2.18 0.04 0.00 -1.03 0.00 0.00 34.95 31.64 1p44 s ARG 185 CO 0.04 -0.36 0.14 0.45 -1.13 0.00 0.00 175.30 174.43 1p44 s SER 186 N -3.73 0.63 0.16 -2.89 0.15 -1.26 -1.38 113.70 105.38 1p44 s SER 186 Ca 0.54 0.28 -0.10 0.00 0.70 0.00 0.00 55.95 57.38 1p44 s SER 186 Cb -0.10 0.19 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1p44 s SER 186 CO 0.43 -0.22 0.32 0.20 1.20 0.00 0.00 173.24 175.17 1p44 s ASN 187 N 2.04 -0.01 0.31 5.45 0.01 -0.72 0.12 114.94 122.16 1p44 s ASN 187 Ca 0.01 -0.78 0.10 0.00 -0.71 0.00 0.00 52.86 51.47 1p44 s ASN 187 Cb -0.12 0.45 -0.05 0.00 0.41 0.00 0.00 41.25 41.94 1p44 s ASN 187 CO -0.05 -0.90 -0.03 -0.76 -1.51 0.00 0.00 177.10 173.85 1p44 s LEU 188 N -2.94 2.96 -0.26 0.60 1.02 -1.15 -0.92 118.68 118.00 1p44 s LEU 188 Ca 0.15 -0.92 -0.00 0.00 0.02 0.00 0.00 54.13 53.37 1p44 s LEU 188 Cb 0.03 -1.39 0.08 0.00 0.02 0.00 0.00 46.19 44.92 1p44 s LEU 188 CO -0.02 -0.14 0.02 -0.69 0.02 0.00 0.00 176.35 175.55 1p44 s VAL 189 N -2.47 1.19 -0.72 -1.59 1.01 0.30 -1.06 120.40 117.05 1p44 s VAL 189 Ca 0.33 -1.23 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 1p44 s VAL 189 Cb -0.02 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1p44 s VAL 189 CO 0.19 -0.34 1.32 0.00 0.00 0.00 0.00 175.10 176.27 1p44 s ALA 190 N 1.52 2.72 0.50 5.51 0.00 -0.38 -0.50 121.76 131.13 1p44 s ALA 190 Ca 0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.70 1p44 s ALA 190 Cb -0.18 -4.25 0.01 0.00 0.00 0.00 0.00 23.12 18.70 1p44 s ALA 190 CO -0.12 -3.30 0.73 0.00 0.00 0.00 0.00 175.76 173.07 1p44 s ALA 191 N 5.97 3.74 0.68 0.00 0.00 -0.63 -1.88 121.76 129.63 1p44 s ALA 191 Ca 0.38 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1p44 s ALA 191 Cb -0.08 -2.18 0.11 0.00 0.00 0.00 0.00 23.12 20.97 1p44 s ALA 191 CO 0.16 -0.55 0.94 0.20 0.00 0.00 0.00 175.76 176.51 1p44 s GLY 192 N -4.30 1.76 0.38 0.00 0.00 -1.16 -4.67 107.32 99.34 1p44 s GLY 192 Ca 0.52 -1.77 -0.27 0.00 0.00 0.00 0.00 44.72 43.20 1p44 s GLY 192 CO 0.39 -1.24 1.32 -4.14 0.00 0.00 0.00 173.10 169.43 1p44 s PRO 193 N -5.02 4.10 -0.03 2.90 0.02 -1.26 -5.04 135.00 130.67 1p44 s PRO 193 Ca 0.65 2.22 0.05 0.00 0.02 0.00 0.00 61.00 63.93 1p44 s PRO 193 Cb -0.06 -2.88 -0.01 0.00 0.02 0.00 0.00 34.50 31.58 1p44 s PRO 193 CO 0.43 -0.40 -0.17 0.42 -0.33 0.00 0.00 177.00 176.95 1p44 s ILE 194 N -1.21 1.36 -0.41 2.83 -1.09 -1.26 -4.28 121.20 117.14 1p44 s ILE 194 Ca 0.54 -0.71 -0.25 0.00 -2.23 0.00 0.00 60.65 58.00 1p44 s ILE 194 Cb -0.39 -1.15 0.02 0.00 -1.58 0.00 0.00 42.46 39.36 1p44 s ILE 194 CO 0.52 0.39 0.90 -0.13 -1.23 0.00 0.00 174.94 175.38 1p44 s ARG 195 N -0.19 3.69 0.00 2.79 1.81 1.38 -4.90 118.95 123.52 1p44 s ARG 195 Ca 0.02 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 1p44 s ARG 195 Cb -0.09 -3.86 0.00 0.00 -0.45 0.00 0.00 34.95 30.56 1p44 s ARG 195 CO 0.01 -1.04 0.00 0.25 -0.68 0.00 0.00 175.30 173.83 1p44 n THR 196 N 6.12 0.00 -0.79 0.02 -2.24 -1.26 -4.82 114.28 111.31 1p44 n THR 196 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1p44 n THR 196 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1p44 n THR 196 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p44 n LEU 197 N 0.00 0.21 -0.00 3.22 4.77 -1.26 -4.89 117.00 119.05 1p44 n LEU 197 Ca 0.00 -0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1p44 n LEU 197 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p44 n LEU 197 CO 0.00 0.05 -0.02 0.00 -1.33 0.00 0.00 177.39 176.09 1p44 n ALA 198 N -0.00 0.03 0.21 -1.18 0.00 -1.26 -4.59 120.51 113.71 1p44 n ALA 198 Ca 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 53.44 53.44 1p44 n ALA 198 Cb 0.21 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.48 1p44 n ALA 198 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1p44 h MET 199 N -0.05 0.00 0.00 0.00 2.86 -1.92 0.03 114.93 115.85 1p44 h MET 199 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1p44 h MET 199 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1p44 h MET 199 CO 0.00 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.40 1p44 n SER 200 N -3.48 0.00 -0.08 1.22 7.64 -1.26 -1.30 113.62 116.35 1p44 n SER 200 Ca 0.02 0.06 0.01 0.00 1.01 0.00 0.00 58.87 59.97 1p44 n SER 200 Cb 0.43 -0.24 0.01 0.00 -1.01 0.00 0.00 64.21 63.40 1p44 n SER 200 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p44 n ALA 201 N -1.24 1.53 0.59 -0.43 0.00 -0.02 -4.65 120.51 116.28 1p44 n ALA 201 Ca 0.06 -0.89 0.08 0.00 0.00 0.00 0.00 53.44 52.69 1p44 n ALA 201 Cb 0.08 -0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.32 1p44 n ALA 201 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1p44 n ILE 202 N -0.25 0.00 0.45 0.00 5.41 -0.42 0.02 119.36 124.56 1p44 n ILE 202 Ca 0.01 -0.18 0.11 0.00 1.00 0.00 0.00 62.75 63.69 1p44 n ILE 202 Cb 0.48 0.80 -0.13 0.00 -0.71 0.00 0.00 39.64 40.08 1p44 n ILE 202 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1p44 n VAL 203 N -1.54 0.02 0.00 1.39 0.31 -1.15 -4.52 118.33 112.85 1p44 n VAL 203 Ca 0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1p44 n VAL 203 Cb 0.29 0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 1p44 n VAL 203 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p44 n GLY 204 N 1.37 -1.82 0.00 2.92 0.00 -1.25 -4.18 105.19 102.22 1p44 n GLY 204 Ca -0.00 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 0.00 -0.09 1.21 -0.02 0.00 0.11 -4.76 105.19 101.64 1p44 n GLY 205 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.31 2.44 -0.36 4.61 0.00 0.10 -4.88 120.51 121.12 1p44 n ALA 206 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1p44 n ALA 206 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.11 3.32 0.00 0.00 4.32 -1.18 -4.67 117.00 116.69 1p44 n LEU 207 Ca 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 56.01 54.39 1p44 n LEU 207 Cb 0.00 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.07 1p44 n LEU 207 CO 0.00 0.66 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 1p44 n GLY 208 N 1.83 3.75 1.46 -0.72 0.00 -1.26 -4.03 105.19 106.23 1p44 n GLY 208 Ca 0.04 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 0.20 0.00 0.00 1.61 0.00 -1.26 -3.79 120.64 117.40 1p44 n GLU 209 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1p44 n GLU 209 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 31.44 31.33 1p44 n GLU 209 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1p44 n GLU 210 N -2.89 0.11 -1.07 5.31 4.71 -1.26 -0.33 120.64 125.21 1p44 n GLU 210 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1p44 n GLU 210 Cb 0.00 -1.03 -0.05 0.00 -1.01 0.00 0.00 31.44 29.35 1p44 n GLU 210 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1p44 n ALA 211 N 0.05 3.40 1.37 0.62 0.00 -1.26 -4.92 120.51 119.78 1p44 n ALA 211 Ca 0.00 -0.99 0.11 0.00 0.00 0.00 0.00 53.44 52.56 1p44 n ALA 211 Cb 0.02 -0.40 0.66 0.00 0.00 0.00 0.00 19.45 19.73 1p44 n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p44 n GLY 212 N 0.10 -0.79 1.82 0.00 0.00 0.55 -2.62 105.19 104.26 1p44 n GLY 212 Ca -0.20 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1p44 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 n ALA 213 N -1.06 4.54 0.00 4.61 0.00 -1.26 -3.12 120.51 124.22 1p44 n ALA 213 Ca 0.16 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1p44 n ALA 213 Cb 0.10 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1p44 n ALA 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1p44 n GLN 214 N -0.50 1.76 0.00 0.00 3.00 -1.08 -4.00 117.38 116.56 1p44 n GLN 214 Ca 0.39 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.44 1p44 n GLN 214 Cb 1.28 -0.86 0.04 0.00 0.00 0.00 0.00 30.24 30.70 1p44 n GLN 214 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1p44 n ILE 215 N -1.14 0.00 0.01 5.09 2.08 -1.23 -4.03 119.36 120.14 1p44 n ILE 215 Ca 0.00 -0.47 -0.01 0.00 0.56 0.00 0.00 62.75 62.83 1p44 n ILE 215 Cb 0.03 1.22 -0.00 0.00 -0.75 0.00 0.00 39.64 40.14 1p44 n ILE 215 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1p44 n GLN 216 N 0.46 0.05 -0.30 0.38 -0.06 -1.18 -3.76 117.38 112.98 1p44 n GLN 216 Ca 0.06 0.02 0.13 0.00 -2.00 0.00 0.00 57.00 55.21 1p44 n GLN 216 Cb 0.28 -0.41 0.29 0.00 -4.06 0.00 0.00 30.24 26.34 1p44 n GLN 216 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1p44 h LEU 217 N -0.10 0.12 0.17 1.69 7.12 -1.78 1.12 115.31 123.66 1p44 h LEU 217 Ca 0.00 0.18 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 1p44 h LEU 217 Cb 0.10 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1p44 h LEU 217 CO 0.00 -0.10 -0.08 0.25 -0.13 0.00 0.00 178.44 178.37 1p44 h LEU 218 N 0.27 -0.20 -1.79 2.25 6.46 -1.79 -3.13 115.31 117.39 1p44 h LEU 218 Ca 0.55 -0.32 0.18 0.00 -0.12 0.00 0.00 57.88 58.17 1p44 h LEU 218 Cb 1.09 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.03 1p44 h LEU 218 CO -0.60 0.35 0.50 -0.08 -0.62 0.00 0.00 178.44 177.99 1p44 h GLU 219 N -0.90 0.19 -0.35 1.25 4.81 -1.30 -1.16 114.58 117.12 1p44 h GLU 219 Ca -0.02 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1p44 h GLU 219 Cb 0.51 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1p44 h GLU 219 CO 0.04 0.13 0.02 1.49 -0.73 0.00 0.00 179.01 179.95 1p44 h GLU 220 N 0.20 0.61 0.00 1.92 4.81 0.12 -3.16 114.58 119.08 1p44 h GLU 220 Ca 0.36 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1p44 h GLU 220 Cb 1.11 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1p44 h GLU 220 CO -0.07 0.72 0.00 0.41 -0.73 0.00 0.00 179.01 179.34 1p44 n GLY 221 N -0.38 -1.35 0.30 1.92 0.00 -0.46 -3.47 105.19 101.75 1p44 n GLY 221 Ca -0.02 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 1.61 2.91 -1.48 0.95 115.95 119.95 1p44 h TRP 222 Ca 0.00 0.00 -0.23 0.00 1.13 0.00 0.00 58.89 59.79 1p44 h TRP 222 Cb 0.45 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.06 1p44 h TRP 222 CO 0.00 0.00 -1.49 0.22 -1.03 0.00 0.00 178.44 176.14 1p44 h ASP 223 N 0.00 0.00 0.12 2.65 1.82 -1.80 -3.22 116.42 115.99 1p44 h ASP 223 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1p44 h ASP 223 Cb 0.37 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.38 1p44 h ASP 223 CO 0.00 0.81 0.00 1.56 -1.61 0.00 0.00 179.24 180.00 1p44 h GLN 224 N 0.00 0.00 0.00 0.28 4.20 0.76 -2.89 115.11 117.46 1p44 h GLN 224 Ca -0.21 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1p44 h GLN 224 Cb 1.80 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.57 1p44 h GLN 224 CO 0.07 0.00 -1.52 0.54 -0.67 0.00 0.00 178.83 177.25 1p44 n ARG 225 N -2.72 1.39 -2.00 1.46 1.74 -1.12 -4.96 116.66 110.45 1p44 n ARG 225 Ca -0.02 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 1p44 n ARG 225 Cb 0.08 -1.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 1p44 n ARG 225 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p44 s ALA 226 N -2.45 2.80 0.56 7.54 0.00 -1.09 -4.61 121.76 124.52 1p44 s ALA 226 Ca -0.04 0.19 0.29 0.00 0.00 0.00 0.00 51.96 52.40 1p44 s ALA 226 Cb 0.04 -4.04 1.46 0.00 0.00 0.00 0.00 23.12 20.59 1p44 s ALA 226 CO 0.38 -2.74 1.89 -1.35 0.00 0.00 0.00 175.76 173.94 1p44 h PRO 227 N 13.08 0.00 -0.21 0.00 0.11 -1.82 0.24 132.00 143.40 1p44 h PRO 227 Ca -0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1p44 h PRO 227 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1p44 h PRO 227 CO 1.05 0.00 -0.01 0.44 -0.21 0.00 0.00 178.00 179.27 1p44 n ILE 228 N -3.98 2.22 -0.25 4.15 -5.35 -1.24 -5.10 119.36 109.82 1p44 n ILE 228 Ca 0.13 -2.05 0.03 0.00 -0.27 0.00 0.00 62.75 60.59 1p44 n ILE 228 Cb 0.79 -0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 38.41 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 -0.77 -2.69 2.83 3.28 0.00 0.84 -5.00 105.19 103.68 1p44 n GLY 229 Ca 0.21 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.13 -0.26 -0.43 1.61 -0.11 -1.26 -4.55 118.94 110.80 1p44 s TRP 230 Ca 0.00 0.51 -0.07 0.00 1.22 0.00 0.00 56.10 57.76 1p44 s TRP 230 Cb 0.00 -0.26 0.10 0.00 -1.50 0.00 0.00 33.47 31.81 1p44 s TRP 230 CO 0.00 -0.43 0.27 1.21 -4.62 0.00 0.00 176.95 173.38 1p44 s ASN 231 N 2.33 5.52 0.00 5.86 3.84 -1.26 -4.61 114.94 126.62 1p44 s ASN 231 Ca 0.04 -1.81 0.03 0.00 0.21 0.00 0.00 52.86 51.33 1p44 s ASN 231 Cb -0.14 -1.94 0.16 0.00 -0.55 0.00 0.00 41.25 38.78 1p44 s ASN 231 CO -0.09 -0.59 0.74 1.15 -2.79 0.00 0.00 177.10 175.52 1p44 n MET 232 N 4.81 0.61 -0.04 0.43 0.00 -1.26 -2.16 117.12 119.51 1p44 n MET 232 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 57.70 57.68 1p44 n MET 232 Cb 0.42 -1.07 0.07 0.00 0.00 0.00 0.00 33.22 32.64 1p44 n MET 232 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1p44 n LYS 233 N -0.57 1.02 -3.94 3.17 5.02 -1.26 0.41 118.16 122.02 1p44 n LYS 233 Ca 0.02 -1.34 -0.30 0.00 -2.02 0.00 0.00 58.31 54.67 1p44 n LYS 233 Cb 0.01 -1.22 -0.16 0.00 -0.02 0.00 0.00 35.03 33.65 1p44 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1p44 s ASP 234 N -0.91 3.87 0.24 4.39 3.68 -0.92 -4.87 116.67 122.16 1p44 s ASP 234 Ca 0.15 -1.21 0.20 0.00 2.13 0.00 0.00 52.55 53.82 1p44 s ASP 234 Cb 0.09 -1.18 0.06 0.00 -1.45 0.00 0.00 42.92 40.45 1p44 s ASP 234 CO 0.14 -0.24 1.20 0.00 0.13 0.00 0.00 175.17 176.39 1p44 h ALA 235 N 7.95 0.68 -0.89 3.66 0.00 -1.90 -3.38 119.26 125.37 1p44 h ALA 235 Ca -0.17 -0.25 0.24 0.00 0.00 0.00 0.00 54.91 54.73 1p44 h ALA 235 Cb 1.07 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1p44 h ALA 235 CO 0.41 0.29 0.16 1.15 0.00 0.00 0.00 179.25 181.27 1p44 h THR 236 N 0.00 0.23 -0.30 0.00 2.02 -1.94 0.45 112.91 113.37 1p44 h THR 236 Ca -0.03 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1p44 h THR 236 Cb 1.18 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1p44 h THR 236 CO 0.02 0.02 0.21 -0.65 0.37 0.00 0.00 175.52 175.49 1p44 h PRO 237 N 0.13 0.26 0.18 6.66 0.11 -1.99 0.89 132.00 138.24 1p44 h PRO 237 Ca 0.55 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 66.33 1p44 h PRO 237 Cb 1.13 -0.06 0.03 0.00 0.11 0.00 0.00 31.00 32.21 1p44 h PRO 237 CO -0.73 0.17 -1.35 0.28 -0.21 0.00 0.00 178.00 176.16 1p44 h VAL 238 N 0.26 1.28 0.00 3.15 2.07 -0.44 -3.10 116.25 119.48 1p44 h VAL 238 Ca 0.13 -2.57 -0.06 0.00 0.82 0.00 0.00 66.70 65.02 1p44 h VAL 238 Cb 0.18 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1p44 h VAL 238 CO -0.03 0.78 -0.31 0.00 0.02 0.00 0.00 177.57 178.03 1p44 h ALA 239 N 0.22 1.38 0.00 1.67 0.00 -0.32 -2.61 119.26 119.60 1p44 h ALA 239 Ca -0.22 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 1p44 h ALA 239 Cb 2.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1p44 h ALA 239 CO 0.26 0.39 -0.78 0.87 0.00 0.00 0.00 179.25 179.98 1p44 h LYS 240 N 0.00 0.00 -0.26 0.00 1.57 -0.91 -3.02 116.57 113.95 1p44 h LYS 240 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1p44 h LYS 240 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1p44 h LYS 240 CO 0.04 0.78 -0.55 1.15 -0.57 0.00 0.00 179.45 180.31 1p44 h THR 241 N 0.00 1.29 -0.18 -0.16 2.02 -1.40 -2.70 112.91 111.77 1p44 h THR 241 Ca -0.01 -1.75 -0.08 0.00 0.77 0.00 0.00 66.41 65.34 1p44 h THR 241 Cb 1.42 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1p44 h THR 241 CO 0.10 0.56 -0.24 0.58 0.37 0.00 0.00 175.52 176.89 1p44 h VAL 242 N 0.61 1.25 -0.28 3.16 2.07 -1.49 -2.67 116.25 118.90 1p44 h VAL 242 Ca 0.01 -1.16 -0.15 0.00 0.82 0.00 0.00 66.70 66.23 1p44 h VAL 242 Cb 1.14 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1p44 h VAL 242 CO 0.12 0.36 -0.43 0.00 0.02 0.00 0.00 177.57 177.64 1p44 h ALA 244 N 0.94 0.89 -0.38 0.00 0.00 -1.15 0.37 119.26 119.94 1p44 h ALA 244 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1p44 h ALA 244 Cb 0.98 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1p44 h ALA 244 CO 0.09 0.32 0.04 -0.07 0.00 0.00 0.00 179.25 179.63 1p44 h LEU 245 N 0.96 0.54 -1.06 0.00 -0.00 -1.40 -2.40 115.31 111.96 1p44 h LEU 245 Ca 0.26 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 58.03 1p44 h LEU 245 Cb -0.11 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.41 1p44 h LEU 245 CO -0.06 0.58 -0.08 -0.07 -0.00 0.00 0.00 178.44 178.82 1p44 h LEU 246 N 0.56 0.00 0.00 1.67 3.38 -0.53 -3.45 115.31 116.95 1p44 h LEU 246 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1p44 h LEU 246 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1p44 h LEU 246 CO 0.01 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 1p44 n SER 247 N -3.18 0.00 -1.37 -0.43 3.41 -0.05 -4.78 113.62 107.22 1p44 n SER 247 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.61 1p44 n SER 247 Cb 0.39 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.45 1p44 n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1p44 n ASP 248 N 0.00 2.19 -0.22 4.04 8.00 -1.26 -4.72 116.55 124.58 1p44 n ASP 248 Ca 0.00 -3.20 0.10 0.00 0.71 0.00 0.00 54.79 52.40 1p44 n ASP 248 Cb 0.00 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 1p44 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1p44 n TRP 249 N -0.58 0.00 -2.88 1.24 7.02 -1.26 -4.31 117.44 116.66 1p44 n TRP 249 Ca 0.20 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.45 1p44 n TRP 249 Cb 0.87 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.74 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 -0.80 3.31 0.10 -0.99 4.32 -1.26 -4.90 117.00 116.77 1p44 n LEU 250 Ca 0.06 -5.22 0.10 0.00 -0.02 0.00 0.00 56.01 50.93 1p44 n LEU 250 Cb 0.36 -0.12 0.44 0.00 -1.62 0.00 0.00 43.42 42.48 1p44 n LEU 250 CO 0.33 2.23 0.81 -0.81 -1.22 0.00 0.00 177.39 178.73 1p44 n PRO 251 N -0.14 0.14 -0.56 3.23 -0.04 -1.26 -3.40 135.00 132.96 1p44 n PRO 251 Ca 0.29 0.42 0.04 0.00 -0.04 0.00 0.00 63.50 64.20 1p44 n PRO 251 Cb 0.56 -1.78 0.23 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.70 3.46 -3.85 0.55 0.00 -1.26 -4.99 120.51 112.72 1p44 n ALA 252 Ca 0.02 -2.67 -0.27 0.00 0.00 0.00 0.00 53.44 50.52 1p44 n ALA 252 Cb 0.18 -0.70 -0.17 0.00 0.00 0.00 0.00 19.45 18.76 1p44 n ALA 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1p44 s THR 253 N -3.00 1.18 0.12 0.00 -1.32 -1.22 -5.12 115.64 106.28 1p44 s THR 253 Ca 0.42 -0.41 -0.03 0.00 -1.21 0.00 0.00 61.69 60.47 1p44 s THR 253 Cb 0.36 -1.15 -0.03 0.00 -1.51 0.00 0.00 72.50 70.17 1p44 s THR 253 CO 0.05 0.39 0.10 -0.89 -2.21 0.00 0.00 174.62 172.05 1p44 s THR 254 N 1.46 0.12 0.00 5.08 2.01 -1.26 -4.55 115.64 118.49 1p44 s THR 254 Ca 0.01 -1.75 0.00 0.00 0.31 0.00 0.00 61.69 60.27 1p44 s THR 254 Cb -0.13 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1p44 s THR 254 CO -0.07 -0.52 0.00 0.61 -0.69 0.00 0.00 174.62 173.95 1p44 n GLY 255 N -0.08 0.38 1.02 4.40 0.00 0.32 -4.90 105.19 106.33 1p44 n GLY 255 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1p44 n GLY 255 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p44 n ASP 256 N 0.00 -0.27 -3.40 1.61 8.00 -1.26 -4.44 116.55 116.78 1p44 n ASP 256 Ca 0.00 -1.03 -0.13 0.00 0.71 0.00 0.00 54.79 54.34 1p44 n ASP 256 Cb 0.00 -0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 40.73 1p44 n ASP 256 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1p44 s ILE 257 N -1.73 -0.49 -0.05 0.53 1.01 -1.26 -2.93 121.20 116.28 1p44 s ILE 257 Ca 0.20 -0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.44 1p44 s ILE 257 Cb -0.01 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 1p44 s ILE 257 CO 0.14 -0.19 0.86 -0.63 0.00 0.00 0.00 174.94 175.12 1p44 s ILE 258 N 2.45 4.93 -0.26 2.92 -1.09 -0.23 -4.85 121.20 125.07 1p44 s ILE 258 Ca 0.10 1.78 -0.15 0.00 -2.23 0.00 0.00 60.65 60.15 1p44 s ILE 258 Cb -0.15 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1p44 s ILE 258 CO -0.17 0.17 0.36 -0.31 -1.23 0.00 0.00 174.94 173.76 1p44 s TYR 259 N 1.13 3.25 -0.64 3.97 1.51 -1.26 -1.25 117.35 124.06 1p44 s TYR 259 Ca 0.45 0.41 0.04 0.00 -1.01 0.00 0.00 57.07 56.96 1p44 s TYR 259 Cb -0.19 -2.55 0.33 0.00 -0.11 0.00 0.00 41.96 39.44 1p44 s TYR 259 CO 0.22 -0.20 1.05 0.00 -1.11 0.00 0.00 175.55 175.50 1p44 n ALA 260 N 5.24 4.82 -1.74 3.71 0.00 -0.79 -4.81 120.51 126.94 1p44 n ALA 260 Ca -0.09 -4.70 0.05 0.00 0.00 0.00 0.00 53.44 48.70 1p44 n ALA 260 Cb 0.51 -0.94 0.18 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.13 1.71 0.00 0.00 3.85 -1.26 -2.96 116.55 117.76 1p44 n ASP 261 Ca 0.33 -3.64 0.00 0.00 -0.71 0.00 0.00 54.79 50.77 1p44 n ASP 261 Cb 0.38 -0.49 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 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 -0.89 0.33 1.56 6.12 0.00 -1.26 -0.98 105.19 110.06 1p44 n GLY 262 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.33 0.61 0.47 -0.02 0.00 -1.26 -3.01 105.19 100.65 1p44 n GLY 263 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.95 0.00 4.61 0.00 -1.31 -2.04 119.26 119.56 1p44 h ALA 264 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1p44 h ALA 264 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1p44 h ALA 264 CO 0.00 -1.10 0.24 -2.39 0.00 0.00 0.00 179.25 175.99 1p44 n HIS 265 N -5.49 0.38 0.56 0.00 1.44 -1.26 -1.50 115.22 109.35 1p44 n HIS 265 Ca -0.08 0.20 0.12 0.00 -2.01 0.00 0.00 57.72 55.94 1p44 n HIS 265 Cb 0.41 -0.65 0.10 0.00 0.12 0.00 0.00 29.99 29.98 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 -1.92 0.28 -4.53 0.61 -2.24 -0.77 -4.87 114.28 100.85 1p44 n THR 266 Ca -0.01 -0.27 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 1p44 n THR 266 Cb 0.26 0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.19 2.63 -0.06 -0.78 -1.52 -0.56 -5.04 119.66 111.14 1p44 s GLN 267 Ca 0.05 -0.65 -0.22 0.00 -1.95 0.00 0.00 55.36 52.58 1p44 s GLN 267 Cb 0.14 -2.54 -0.30 0.00 -0.22 0.00 0.00 33.01 30.09 1p44 s GLN 267 CO 0.76 0.63 0.85 1.25 -0.25 0.00 0.00 175.29 178.52 1p44 h LEU 268 N 4.82 0.40 -0.07 2.90 6.46 -1.89 -3.48 115.31 124.44 1p44 h LEU 268 Ca -0.48 -0.95 0.00 0.00 -0.12 0.00 0.00 57.88 56.33 1p44 h LEU 268 Cb 1.17 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 1p44 h LEU 268 CO 0.53 1.36 0.00 -0.11 -0.62 0.00 0.00 178.44 179.60