#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9j s ARG 2 N 0.00 3.68 -0.11 3.17 0.52 -1.26 -1.92 118.95 123.03 1j9j s ARG 2 Ca 0.00 0.14 -0.01 0.00 -0.52 0.00 0.00 55.73 55.34 1j9j s ARG 2 Cb 0.00 -3.82 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 1j9j s ARG 2 CO 0.00 -0.82 -0.06 0.42 0.02 0.00 0.00 175.30 174.87 1j9j s ILE 3 N 2.91 3.77 -0.17 1.52 -1.09 0.17 -1.35 121.20 126.96 1j9j s ILE 3 Ca 0.28 -0.43 -0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1j9j s ILE 3 Cb -0.14 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.12 1j9j s ILE 3 CO 0.16 0.55 -0.00 -0.22 -1.23 0.00 0.00 174.94 174.21 1j9j s LEU 4 N -0.29 3.44 -0.06 2.97 2.96 -0.07 -0.64 118.68 126.98 1j9j s LEU 4 Ca 0.04 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 1j9j s LEU 4 Cb -0.13 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1j9j s LEU 4 CO 0.02 0.16 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.28 1j9j s VAL 5 N 0.42 2.05 0.29 1.68 1.01 0.39 -1.21 120.40 125.02 1j9j s VAL 5 Ca -0.01 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1j9j s VAL 5 Cb -0.14 -1.74 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 1j9j s VAL 5 CO 0.02 0.57 0.36 1.07 0.00 0.00 0.00 175.10 177.12 1j9j n THR 6 N 3.05 0.00 -3.61 3.92 5.66 -0.71 -1.70 114.28 120.88 1j9j n THR 6 Ca -0.18 -1.61 -0.00 0.00 -3.05 0.00 0.00 64.05 59.21 1j9j n THR 6 Cb 0.52 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 70.23 1j9j n THR 6 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1j9j n ASN 7 N -1.77 -0.33 0.00 1.09 6.94 -1.26 -0.95 115.26 118.98 1j9j n ASN 7 Ca 0.02 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.43 1j9j n ASN 7 Cb 0.49 0.54 0.00 0.00 -2.36 0.00 0.00 39.78 38.44 1j9j n ASN 7 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1j9j n ASP 8 N -0.63 0.48 -0.60 0.53 5.75 -1.26 -4.53 116.55 116.29 1j9j n ASP 8 Ca -0.00 -0.78 0.13 0.00 -0.01 0.00 0.00 54.79 54.13 1j9j n ASP 8 Cb 0.12 0.25 0.32 0.00 -1.03 0.00 0.00 41.12 40.79 1j9j n ASP 8 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1j9j n ASP 9 N -0.25 1.96 0.00 -1.12 8.00 -1.26 -0.32 116.55 123.55 1j9j n ASP 9 Ca 0.00 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 53.92 1j9j n ASP 9 Cb 0.04 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1j9j n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j9j n GLY 10 N 1.28 2.56 0.24 0.44 0.00 -1.26 -3.63 105.19 104.81 1j9j n GLY 10 Ca 0.16 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.67 1j9j n GLY 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1j9j h ILE 11 N 0.00 0.00 -0.02 -0.61 2.10 -1.43 -1.16 117.51 116.38 1j9j h ILE 11 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1j9j h ILE 11 Cb 0.00 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 36.46 1j9j h ILE 11 CO 0.00 0.00 -0.01 0.00 -1.08 0.00 0.00 178.15 177.06 1j9j n GLN 12 N -2.61 2.02 -1.93 2.19 6.02 -1.26 -4.80 117.38 117.01 1j9j n GLN 12 Ca -0.02 -1.49 -0.41 0.00 -0.01 0.00 0.00 57.00 55.07 1j9j n GLN 12 Cb 0.06 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 1j9j n GLN 12 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1j9j s SER 13 N -2.01 6.53 0.39 1.08 0.15 -0.44 -4.89 113.70 114.51 1j9j s SER 13 Ca 0.32 2.85 0.10 0.00 0.70 0.00 0.00 55.95 59.92 1j9j s SER 13 Cb 0.20 -2.65 0.80 0.00 -1.71 0.00 0.00 66.02 62.67 1j9j s SER 13 CO 0.32 -0.75 1.92 0.50 1.20 0.00 0.00 173.24 176.43 1j9j h LYS 14 N 3.86 0.21 -0.35 5.44 3.64 -1.92 -2.65 116.57 124.81 1j9j h LYS 14 Ca -0.49 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1j9j h LYS 14 Cb 1.23 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1j9j h LYS 14 CO 0.70 0.36 0.23 0.78 -2.27 0.00 0.00 179.45 179.25 1j9j h GLY 15 N 0.73 0.47 1.06 5.01 0.00 -1.90 -2.07 103.07 106.35 1j9j h GLY 15 Ca 0.04 -0.17 -0.26 0.00 0.00 0.00 0.00 47.33 46.94 1j9j h GLY 15 CO 0.02 0.16 -1.59 1.19 0.00 0.00 0.00 176.54 176.33 1j9j h ILE 16 N 0.44 0.82 0.11 2.60 2.10 -1.63 -1.70 117.51 120.25 1j9j h ILE 16 Ca 0.13 -2.59 -0.01 0.00 1.08 0.00 0.00 64.86 63.48 1j9j h ILE 16 Cb -0.01 2.36 0.00 0.00 -1.09 0.00 0.00 36.82 38.09 1j9j h ILE 16 CO -0.03 0.47 -0.05 0.40 -1.08 0.00 0.00 178.15 177.86 1j9j h ILE 17 N 0.00 1.07 -0.87 2.19 2.04 -1.17 -1.58 117.51 119.19 1j9j h ILE 17 Ca -0.24 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1j9j h ILE 17 Cb 1.90 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 39.47 1j9j h ILE 17 CO 0.07 0.18 0.58 1.62 0.00 0.00 0.00 178.15 180.60 1j9j h VAL 18 N -0.49 1.20 -0.54 1.67 3.04 -1.57 -1.25 116.25 118.31 1j9j h VAL 18 Ca -0.01 -0.40 -0.03 0.00 -1.01 0.00 0.00 66.70 65.25 1j9j h VAL 18 Cb 0.40 -0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.60 1j9j h VAL 18 CO 0.02 0.21 0.23 0.25 -1.01 0.00 0.00 177.57 177.28 1j9j h LEU 19 N 1.15 0.73 -0.41 3.16 5.85 -1.63 -2.42 115.31 121.74 1j9j h LEU 19 Ca 0.33 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1j9j h LEU 19 Cb -0.09 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1j9j h LEU 19 CO -0.08 0.68 0.13 0.00 -0.34 0.00 0.00 178.44 178.83 1j9j h ALA 20 N 1.07 0.54 0.09 1.25 0.00 -0.58 -2.65 119.26 118.99 1j9j h ALA 20 Ca 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j9j h ALA 20 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1j9j h ALA 20 CO -0.02 0.19 -0.10 0.93 0.00 0.00 0.00 179.25 180.24 1j9j h GLU 21 N 0.52 -0.22 -0.54 0.00 5.08 -1.09 -1.87 114.58 116.47 1j9j h GLU 21 Ca 0.13 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1j9j h GLU 21 Cb 0.26 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1j9j h GLU 21 CO -0.00 -0.14 0.29 -0.07 -1.00 0.00 0.00 179.01 178.08 1j9j h LEU 22 N -0.22 0.68 -1.46 1.33 3.38 -1.45 -2.82 115.31 114.74 1j9j h LEU 22 Ca 0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1j9j h LEU 22 Cb 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1j9j h LEU 22 CO -0.04 0.59 -0.27 -0.07 0.09 0.00 0.00 178.44 178.73 1j9j h LEU 23 N 0.72 0.00 0.00 1.67 3.38 -1.40 -2.72 115.31 116.96 1j9j h LEU 23 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1j9j h LEU 23 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1j9j h LEU 23 CO -0.03 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 1j9j n SER 24 N -3.95 0.00 0.01 -0.43 3.41 -0.71 -2.48 113.62 109.48 1j9j n SER 24 Ca -0.02 0.20 -0.01 0.00 -0.26 0.00 0.00 58.87 58.78 1j9j n SER 24 Cb 0.34 -0.37 0.27 0.00 -0.26 0.00 0.00 64.21 64.19 1j9j n SER 24 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j9j h GLU 25 N 0.00 0.49 0.00 4.33 5.08 -1.52 -3.34 114.58 119.62 1j9j h GLU 25 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1j9j h GLU 25 Cb 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1j9j h GLU 25 CO 0.00 0.60 0.00 0.39 -1.00 0.00 0.00 179.01 179.00 1j9j n GLU 26 N -4.22 1.34 -4.30 2.33 1.02 -1.21 -5.10 120.64 110.50 1j9j n GLU 26 Ca 0.01 -0.16 -0.16 0.00 -0.02 0.00 0.00 57.16 56.82 1j9j n GLU 26 Cb 0.31 -0.57 -0.10 0.00 -0.02 0.00 0.00 31.44 31.05 1j9j n GLU 26 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1j9j s HIS 27 N -0.24 1.45 -0.54 -0.32 3.76 -1.03 -4.57 115.29 113.79 1j9j s HIS 27 Ca 0.00 -1.06 -0.24 0.00 -0.15 0.00 0.00 55.06 53.61 1j9j s HIS 27 Cb 0.00 -0.85 0.04 0.00 1.11 0.00 0.00 32.58 32.88 1j9j s HIS 27 CO 0.00 -0.21 0.94 -2.00 -0.85 0.00 0.00 174.74 172.62 1j9j s GLU 28 N -3.95 3.35 -0.19 1.40 2.12 -0.81 -4.38 118.70 116.25 1j9j s GLU 28 Ca 0.31 -0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.32 1j9j s GLU 28 Cb 0.07 -4.04 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 1j9j s GLU 28 CO 0.09 -1.46 0.13 0.08 -0.54 0.00 0.00 175.26 173.57 1j9j s VAL 29 N 3.92 5.41 -0.13 3.70 1.01 -1.25 -0.66 120.40 132.40 1j9j s VAL 29 Ca 0.31 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1j9j s VAL 29 Cb -0.12 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1j9j s VAL 29 CO 0.20 0.46 -0.21 -0.36 0.00 0.00 0.00 175.10 175.18 1j9j s PHE 30 N 0.20 2.55 -0.19 5.22 0.40 0.18 -2.44 117.98 123.91 1j9j s PHE 30 Ca 0.09 -1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 55.15 1j9j s PHE 30 Cb -0.11 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 1j9j s PHE 30 CO -0.01 -0.56 -0.06 0.08 0.70 0.00 0.00 175.22 175.37 1j9j s VAL 31 N 0.75 3.41 -0.22 -0.44 1.01 0.61 -0.46 120.40 125.05 1j9j s VAL 31 Ca -0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1j9j s VAL 31 Cb -0.16 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.78 1j9j s VAL 31 CO 0.00 0.46 0.07 -0.69 0.00 0.00 0.00 175.10 174.93 1j9j s VAL 32 N 1.03 0.42 0.16 2.92 1.01 -0.69 -0.41 120.40 124.84 1j9j s VAL 32 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1j9j s VAL 32 Cb -0.15 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1j9j s VAL 32 CO -0.00 -0.37 0.12 0.00 0.00 0.00 0.00 175.10 174.85 1j9j s ALA 33 N 1.89 0.84 0.41 5.51 0.00 -0.90 -4.38 121.76 125.13 1j9j s ALA 33 Ca 0.03 -1.47 -0.26 0.00 0.00 0.00 0.00 51.96 50.26 1j9j s ALA 33 Cb -0.17 1.06 -0.10 0.00 0.00 0.00 0.00 23.12 23.92 1j9j s ALA 33 CO -0.15 -0.56 1.36 -2.30 0.00 0.00 0.00 175.76 174.11 1j9j n PRO 34 N -0.18 2.18 0.24 0.00 -0.02 -1.26 -0.92 135.00 135.03 1j9j n PRO 34 Ca -0.03 0.77 0.08 0.00 -2.02 0.00 0.00 63.50 62.30 1j9j n PRO 34 Cb 0.64 -2.50 0.58 0.00 -0.02 0.00 0.00 33.50 32.20 1j9j n PRO 34 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1j9j h ASP 35 N 2.34 0.00 -4.94 2.55 -0.00 -1.32 -1.13 116.42 113.92 1j9j h ASP 35 Ca -0.49 0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 56.35 1j9j h ASP 35 Cb 1.28 0.00 -0.15 0.00 -0.00 0.00 0.00 39.33 40.46 1j9j h ASP 35 CO 0.61 0.18 -0.68 -1.59 -0.00 0.00 0.00 179.24 177.76 1j9j s LYS 36 N -4.39 0.79 0.26 4.15 -2.85 -1.26 -4.50 119.74 111.93 1j9j s LYS 36 Ca -0.03 -1.32 -0.31 0.00 -1.00 0.00 0.00 55.97 53.31 1j9j s LYS 36 Cb 0.14 0.00 -0.12 0.00 -2.06 0.00 0.00 37.83 35.80 1j9j s LYS 36 CO 0.65 -0.09 1.66 -2.00 0.10 0.00 0.00 175.35 175.66 1j9j s GLU 37 N -3.90 4.11 0.21 1.78 2.12 -1.24 -4.20 118.70 117.59 1j9j s GLU 37 Ca 0.13 2.61 0.05 0.00 0.36 0.00 0.00 54.97 58.11 1j9j s GLU 37 Cb 0.07 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1j9j s GLU 37 CO -0.05 -0.69 0.30 1.03 -0.54 0.00 0.00 175.26 175.30 1j9j s ARG 38 N 0.18 3.31 0.00 4.30 3.00 0.56 -4.92 118.95 125.38 1j9j s ARG 38 Ca 0.68 -0.78 0.00 0.00 0.00 0.00 0.00 55.73 55.64 1j9j s ARG 38 Cb -0.49 -2.84 0.00 0.00 0.00 0.00 0.00 34.95 31.62 1j9j s ARG 38 CO 0.42 0.45 0.00 -1.13 0.00 0.00 0.00 175.30 175.04 1j9j n SER 39 N -1.07 0.00 -4.25 0.23 3.41 -1.26 -4.72 113.62 105.96 1j9j n SER 39 Ca -0.08 -0.05 -0.31 0.00 -0.26 0.00 0.00 58.87 58.17 1j9j n SER 39 Cb 0.56 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1j9j n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j9j n ALA 40 N -3.00 1.83 1.49 7.33 0.00 -1.26 -4.56 120.51 122.34 1j9j n ALA 40 Ca 0.00 -2.94 0.14 0.00 0.00 0.00 0.00 53.44 50.64 1j9j n ALA 40 Cb 0.00 -3.52 0.52 0.00 0.00 0.00 0.00 19.45 16.45 1j9j n ALA 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j9j n THR 41 N 7.51 0.00 -2.62 0.00 -2.24 -1.20 -4.89 114.28 110.84 1j9j n THR 41 Ca 0.46 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1j9j n THR 41 Cb 0.45 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1j9j n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9j n GLY 42 N 1.18 1.60 2.45 3.38 0.00 -0.81 -2.50 105.19 110.48 1j9j n GLY 42 Ca 0.19 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1j9j n GLY 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1j9j n HIS 43 N 7.55 2.23 -2.36 1.61 -0.00 -1.26 -4.34 115.22 118.65 1j9j n HIS 43 Ca 0.00 -2.24 -0.36 0.00 0.46 0.00 0.00 57.72 55.58 1j9j n HIS 43 Cb 0.00 -1.26 -0.02 0.00 -0.12 0.00 0.00 29.99 28.59 1j9j n HIS 43 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1j9j s SER 44 N -0.44 6.19 0.04 0.26 0.01 -1.04 -5.03 113.70 113.69 1j9j s SER 44 Ca 0.53 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.96 1j9j s SER 44 Cb 0.39 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1j9j s SER 44 CO -0.19 -0.89 -0.04 0.27 0.41 0.00 0.00 173.24 172.79 1j9j s ILE 45 N -1.69 0.29 -0.43 1.44 -4.36 -1.26 -4.50 121.20 110.68 1j9j s ILE 45 Ca 0.65 -1.30 -0.14 0.00 -0.26 0.00 0.00 60.65 59.60 1j9j s ILE 45 Cb -0.24 -0.83 0.05 0.00 1.25 0.00 0.00 42.46 42.68 1j9j s ILE 45 CO 0.29 -0.66 0.32 -0.89 0.24 0.00 0.00 174.94 174.25 1j9j s THR 46 N -2.36 5.09 0.00 8.37 2.01 -1.26 -4.88 115.64 122.61 1j9j s THR 46 Ca -0.05 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1j9j s THR 46 Cb -0.03 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1j9j s THR 46 CO -0.04 -0.42 0.00 2.30 -0.69 0.00 0.00 174.62 175.77 1j9j n ILE 47 N 5.14 0.00 0.44 1.82 -5.35 -1.26 -4.78 119.36 115.36 1j9j n ILE 47 Ca -0.12 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.49 1j9j n ILE 47 Cb 0.45 0.21 0.22 0.00 -1.74 0.00 0.00 39.64 38.78 1j9j n ILE 47 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 1j9j h HIS 48 N 0.00 0.00 -4.28 4.28 3.86 -2.08 -3.47 115.15 113.46 1j9j h HIS 48 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 1j9j h HIS 48 Cb 0.19 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.51 1j9j h HIS 48 CO 0.00 0.00 -0.66 0.14 0.86 0.00 0.00 177.93 178.27 1j9j s VAL 49 N -3.19 0.22 0.81 2.45 -7.23 -1.26 -5.16 120.40 107.04 1j9j s VAL 49 Ca 0.07 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 1j9j s VAL 49 Cb 0.10 -1.83 0.08 0.00 0.56 0.00 0.00 36.38 35.29 1j9j s VAL 49 CO 0.68 -0.69 1.09 -2.16 -0.31 0.00 0.00 175.10 173.71 1j9j s PRO 50 N -3.98 1.99 0.07 4.82 0.04 -1.26 -4.99 135.00 131.70 1j9j s PRO 50 Ca 0.17 0.93 0.06 0.00 0.04 0.00 0.00 61.00 62.19 1j9j s PRO 50 Cb 0.07 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1j9j s PRO 50 CO -0.03 -1.76 -0.07 -0.51 0.04 0.00 0.00 177.00 174.67 1j9j s LEU 51 N -5.94 3.15 0.07 -3.56 1.43 -1.26 -5.04 118.68 107.52 1j9j s LEU 51 Ca 0.61 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1j9j s LEU 51 Cb -0.16 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1j9j s LEU 51 CO 0.56 0.21 -0.20 0.26 0.23 0.00 0.00 176.35 177.41 1j9j s TRP 52 N -1.16 1.70 0.10 0.29 0.52 -1.26 -5.02 118.94 114.11 1j9j s TRP 52 Ca 0.21 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 56.00 1j9j s TRP 52 Cb -0.11 -0.97 -0.03 0.00 -1.15 0.00 0.00 33.47 31.20 1j9j s TRP 52 CO 0.13 0.13 -0.17 -1.64 0.02 0.00 0.00 176.95 175.42 1j9j s MET 53 N -1.53 0.99 -0.04 4.98 -1.94 -1.26 -1.85 119.30 118.64 1j9j s MET 53 Ca 0.06 -1.12 -0.01 0.00 -1.71 0.00 0.00 55.69 52.91 1j9j s MET 53 Cb -0.09 -1.05 0.03 0.00 2.01 0.00 0.00 34.83 35.72 1j9j s MET 53 CO 0.03 0.23 0.02 0.21 -0.01 0.00 0.00 175.02 175.50 1j9j s LYS 54 N -2.08 0.22 -0.27 2.03 2.20 0.17 -4.97 119.74 117.04 1j9j s LYS 54 Ca 0.04 0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.55 1j9j s LYS 54 Cb -0.09 -0.56 0.01 0.00 -1.51 0.00 0.00 37.83 35.68 1j9j s LYS 54 CO 0.03 -0.23 1.13 0.21 -0.36 0.00 0.00 175.35 176.13 1j9j s LYS 55 N 1.55 4.12 0.03 4.03 2.20 -1.26 -0.75 119.74 129.65 1j9j s LYS 55 Ca -0.02 1.27 0.03 0.00 -0.36 0.00 0.00 55.97 56.89 1j9j s LYS 55 Cb -0.13 -3.74 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 1j9j s LYS 55 CO -0.03 -0.83 -0.11 0.54 -0.36 0.00 0.00 175.35 174.56 1j9j s VAL 56 N 3.62 0.82 0.18 4.02 0.11 -0.66 -4.98 120.40 123.51 1j9j s VAL 56 Ca 0.48 -0.80 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 1j9j s VAL 56 Cb -0.15 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1j9j s VAL 56 CO 0.14 -0.03 0.30 -0.36 -3.33 0.00 0.00 175.10 171.82 1j9j s PHE 57 N -0.75 3.44 0.00 1.54 0.40 -1.26 -3.70 117.98 117.65 1j9j s PHE 57 Ca -0.01 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 1j9j s PHE 57 Cb -0.07 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.85 1j9j s PHE 57 CO 0.01 0.49 0.00 -0.89 0.70 0.00 0.00 175.22 175.53 1j9j n ILE 58 N -0.83 0.00 0.00 0.64 5.41 -1.26 -5.04 119.36 118.27 1j9j n ILE 58 Ca -0.08 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.59 1j9j n ILE 58 Cb 0.55 0.51 0.00 0.00 -0.71 0.00 0.00 39.64 39.99 1j9j n ILE 58 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1j9j n SER 59 N -0.53 0.00 -4.53 4.38 3.41 -1.26 -5.11 113.62 109.98 1j9j n SER 59 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1j9j n SER 59 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 1j9j n SER 59 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1j9j s GLU 60 N -1.98 1.34 0.00 4.33 2.02 -1.26 -3.79 118.70 119.37 1j9j s GLU 60 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1j9j s GLU 60 Cb 0.00 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.31 1j9j s GLU 60 CO 0.00 -1.97 0.00 0.54 0.02 0.00 0.00 175.26 173.85 1j9j n ARG 61 N -3.51 0.00 -3.90 1.61 1.74 -1.26 -4.93 116.66 106.42 1j9j n ARG 61 Ca 0.12 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.00 1j9j n ARG 61 Cb 0.60 -2.56 -0.17 0.00 -1.02 0.00 0.00 32.46 29.31 1j9j n ARG 61 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1j9j s VAL 62 N -2.41 0.26 -0.23 1.55 -7.23 -1.25 -3.83 120.40 107.27 1j9j s VAL 62 Ca 0.00 0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 1j9j s VAL 62 Cb 0.00 -0.38 -0.05 0.00 0.56 0.00 0.00 36.38 36.52 1j9j s VAL 62 CO 0.00 0.19 0.23 -0.69 -0.31 0.00 0.00 175.10 174.53 1j9j s VAL 63 N 1.37 5.31 0.07 1.32 1.01 -1.02 -4.64 120.40 123.82 1j9j s VAL 63 Ca -0.05 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1j9j s VAL 63 Cb -0.13 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1j9j s VAL 63 CO -0.02 0.32 -0.18 0.00 0.00 0.00 0.00 175.10 175.21 1j9j s ALA 64 N 1.14 1.52 -0.04 5.51 0.00 -1.24 -0.28 121.76 128.36 1j9j s ALA 64 Ca 0.11 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 1j9j s ALA 64 Cb -0.14 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1j9j s ALA 64 CO 0.05 0.30 0.17 0.71 0.00 0.00 0.00 175.76 177.00 1j9j s TYR 65 N -1.01 -0.11 0.07 0.00 1.51 0.45 -1.65 117.35 116.61 1j9j s TYR 65 Ca 0.04 0.24 0.05 0.00 -1.01 0.00 0.00 57.07 56.40 1j9j s TYR 65 Cb -0.09 0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.75 1j9j s TYR 65 CO 0.02 -0.19 -0.06 -1.54 -1.11 0.00 0.00 175.55 172.67 1j9j s SER 66 N -0.55 4.63 0.23 2.29 1.04 0.07 -2.12 113.70 119.29 1j9j s SER 66 Ca -0.06 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.14 1j9j s SER 66 Cb -0.04 -1.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.03 1j9j s SER 66 CO 0.01 0.21 0.01 0.42 0.98 0.00 0.00 173.24 174.87 1j9j s THR 67 N -1.18 0.93 -2.06 2.02 -4.23 -0.10 -0.66 115.64 110.37 1j9j s THR 67 Ca 0.21 -2.02 0.14 0.00 -1.18 0.00 0.00 61.69 58.84 1j9j s THR 67 Cb -0.11 -2.37 0.36 0.00 1.34 0.00 0.00 72.50 71.72 1j9j s THR 67 CO 0.13 -0.29 1.34 0.35 -0.54 0.00 0.00 174.62 175.61 1j9j n THR 68 N -0.41 0.45 -3.09 3.99 -2.24 -0.77 -0.89 114.28 111.31 1j9j n THR 68 Ca -0.05 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 1j9j n THR 68 Cb 0.64 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1j9j n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9j n GLY 69 N 1.12 2.06 3.94 3.38 0.00 -1.26 -4.93 105.19 109.50 1j9j n GLY 69 Ca 0.14 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 1j9j n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j9j s THR 70 N -0.62 2.19 0.24 2.61 -4.23 -1.26 -4.57 115.64 110.00 1j9j s THR 70 Ca 0.25 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1j9j s THR 70 Cb -0.02 -2.91 0.21 0.00 1.34 0.00 0.00 72.50 71.13 1j9j s THR 70 CO 0.16 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.43 1j9j h PRO 71 N -0.80 0.92 -0.61 3.99 0.11 -1.85 0.53 132.00 134.28 1j9j h PRO 71 Ca -0.43 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1j9j h PRO 71 Cb 1.29 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1j9j h PRO 71 CO 0.51 0.61 0.08 0.00 -0.21 0.00 0.00 178.00 178.99 1j9j h ALA 72 N 1.41 0.98 -0.70 -0.75 0.00 -1.81 -2.23 119.26 116.16 1j9j h ALA 72 Ca 0.37 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1j9j h ALA 72 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1j9j h ALA 72 CO -0.18 0.64 0.46 -0.44 0.00 0.00 0.00 179.25 179.73 1j9j h ASP 73 N 0.94 0.81 -0.78 0.00 3.32 -1.40 -2.09 116.42 117.22 1j9j h ASP 73 Ca 0.19 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1j9j h ASP 73 Cb 0.44 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 1j9j h ASP 73 CO 0.01 0.59 0.47 0.00 -1.72 0.00 0.00 179.24 178.59 1j9j h VAL 75 N 0.85 1.27 -0.55 0.00 2.07 -0.97 -1.40 116.25 117.52 1j9j h VAL 75 Ca 0.35 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 1j9j h VAL 75 Cb 0.19 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1j9j h VAL 75 CO -0.18 0.46 0.15 0.11 0.02 0.00 0.00 177.57 178.14 1j9j h LYS 76 N 0.84 0.86 -0.27 1.57 1.57 -0.92 -2.17 116.57 118.05 1j9j h LYS 76 Ca 0.12 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1j9j h LYS 76 Cb 0.75 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1j9j h LYS 76 CO 0.06 0.80 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.64 1j9j h LEU 77 N 0.76 0.49 -0.30 2.94 3.38 -1.16 -2.20 115.31 119.22 1j9j h LEU 77 Ca 0.17 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1j9j h LEU 77 Cb 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1j9j h LEU 77 CO -0.00 0.71 0.18 0.00 0.09 0.00 0.00 178.44 179.42 1j9j h ALA 78 N 0.80 0.37 -0.30 1.53 0.00 -1.21 0.22 119.26 120.67 1j9j h ALA 78 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j9j h ALA 78 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1j9j h ALA 78 CO 0.02 -0.18 0.15 -0.92 0.00 0.00 0.00 179.25 178.32 1j9j h TYR 79 N 0.38 0.43 0.18 0.00 3.20 -1.39 0.67 116.97 120.44 1j9j h TYR 79 Ca 0.11 -0.02 -0.35 0.00 3.14 0.00 0.00 58.73 61.61 1j9j h TYR 79 Cb -0.02 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1j9j h TYR 79 CO -0.07 0.39 -1.80 -0.91 -1.64 0.00 0.00 178.16 174.13 1j9j h ASN 80 N 0.35 0.58 0.09 -2.11 4.21 -1.31 0.15 115.58 117.55 1j9j h ASN 80 Ca 0.10 -0.94 -0.37 0.00 1.21 0.00 0.00 56.30 56.30 1j9j h ASN 80 Cb 0.11 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.07 1j9j h ASN 80 CO -0.01 1.80 -2.23 0.52 -1.29 0.00 0.00 177.43 176.22 1j9j n VAL 81 N -3.58 1.58 -0.08 2.81 0.31 0.77 -4.55 118.33 115.60 1j9j n VAL 81 Ca -0.26 -0.66 -0.22 0.00 -0.01 0.00 0.00 64.34 63.19 1j9j n VAL 81 Cb 1.07 -1.34 -0.12 0.00 -0.91 0.00 0.00 33.84 32.53 1j9j n VAL 81 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1j9j n VAL 82 N -3.23 1.62 -0.87 2.52 0.31 -1.00 -4.66 118.33 113.01 1j9j n VAL 82 Ca -0.37 -0.50 0.07 0.00 -0.01 0.00 0.00 64.34 63.54 1j9j n VAL 82 Cb 1.04 -1.70 0.40 0.00 -0.91 0.00 0.00 33.84 32.67 1j9j n VAL 82 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1j9j n MET 83 N -3.65 4.71 -4.02 5.55 2.81 0.23 -4.97 117.12 117.78 1j9j n MET 83 Ca -0.40 -3.13 -0.33 0.00 -1.81 0.00 0.00 57.70 52.03 1j9j n MET 83 Cb 0.95 -2.21 -0.03 0.00 -0.71 0.00 0.00 33.22 31.23 1j9j n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1j9j n ASP 84 N 0.66 -3.20 -1.93 7.83 4.64 -1.25 -0.69 116.55 122.61 1j9j n ASP 84 Ca 0.27 -0.85 -0.20 0.00 -1.38 0.00 0.00 54.79 52.64 1j9j n ASP 84 Cb 1.15 -2.64 -0.05 0.00 -1.04 0.00 0.00 41.12 38.54 1j9j n ASP 84 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1j9j n LYS 85 N -4.15 -1.57 -3.92 -0.67 5.02 0.54 -4.94 118.16 108.46 1j9j n LYS 85 Ca 0.06 1.08 -0.30 0.00 -2.02 0.00 0.00 58.31 57.13 1j9j n LYS 85 Cb 0.49 -5.57 -0.14 0.00 -0.02 0.00 0.00 35.03 29.79 1j9j n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1j9j s ARG 86 N -4.26 1.61 -0.08 1.97 0.52 0.13 -5.07 118.95 113.76 1j9j s ARG 86 Ca 0.00 -2.16 0.01 0.00 -0.52 0.00 0.00 55.73 53.06 1j9j s ARG 86 Cb 0.00 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.45 1j9j s ARG 86 CO 0.00 -1.05 -0.11 0.08 0.02 0.00 0.00 175.30 174.24 1j9j s VAL 87 N 0.36 1.15 -0.12 3.52 1.01 -1.26 -4.89 120.40 120.16 1j9j s VAL 87 Ca 0.14 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 61.79 1j9j s VAL 87 Cb -0.23 -1.08 -0.24 0.00 0.00 0.00 0.00 36.38 34.84 1j9j s VAL 87 CO -0.05 0.37 0.35 0.47 0.00 0.00 0.00 175.10 176.24 1j9j n ASP 88 N 4.16 0.80 -3.68 3.32 8.00 -0.46 -4.91 116.55 123.78 1j9j n ASP 88 Ca -0.20 0.20 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1j9j n ASP 88 Cb 0.51 0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.72 1j9j n ASP 88 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1j9j s LEU 89 N -6.02 0.15 -0.08 0.64 2.96 -1.15 -4.33 118.68 110.85 1j9j s LEU 89 Ca -0.11 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1j9j s LEU 89 Cb 0.07 1.76 0.01 0.00 0.50 0.00 0.00 46.19 48.53 1j9j s LEU 89 CO 0.80 -0.35 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.67 1j9j s ILE 90 N -0.53 1.58 -0.11 6.68 1.01 -0.56 -0.89 121.20 128.38 1j9j s ILE 90 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1j9j s ILE 90 Cb -0.03 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1j9j s ILE 90 CO 0.04 0.45 -0.10 -0.69 0.00 0.00 0.00 174.94 174.64 1j9j s VAL 91 N 0.53 1.18 -0.31 2.92 1.01 -0.35 -0.51 120.40 124.86 1j9j s VAL 91 Ca -0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1j9j s VAL 91 Cb -0.17 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1j9j s VAL 91 CO 0.06 0.39 0.08 -0.55 0.00 0.00 0.00 175.10 175.08 1j9j s SER 92 N 1.45 5.14 0.00 3.32 0.15 0.36 -1.74 113.70 122.39 1j9j s SER 92 Ca 0.01 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.76 1j9j s SER 92 Cb -0.13 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1j9j s SER 92 CO -0.06 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1j9j n GLY 93 N 4.83 -0.20 3.65 9.45 0.00 -0.12 -1.01 105.19 121.78 1j9j n GLY 93 Ca -0.14 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1j9j n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j9j s VAL 94 N -2.89 4.88 0.52 1.61 1.01 -0.64 -4.08 120.40 120.81 1j9j s VAL 94 Ca 0.00 1.50 -0.20 0.00 0.00 0.00 0.00 61.98 63.27 1j9j s VAL 94 Cb 0.00 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1j9j s VAL 94 CO 0.00 -0.03 1.14 0.21 0.00 0.00 0.00 175.10 176.43 1j9j s ASN 95 N 1.31 5.84 -0.57 3.32 2.47 -0.52 -4.47 114.94 122.32 1j9j s ASN 95 Ca 0.34 2.22 -0.21 0.00 0.42 0.00 0.00 52.86 55.63 1j9j s ASN 95 Cb -0.16 -2.59 0.07 0.00 -1.45 0.00 0.00 41.25 37.13 1j9j s ASN 95 CO 0.09 -1.14 0.77 -0.60 -3.72 0.00 0.00 177.10 172.50 1j9j s ARG 96 N -3.12 3.13 0.00 0.43 3.52 -1.26 -1.47 118.95 120.18 1j9j s ARG 96 Ca 0.70 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1j9j s ARG 96 Cb -0.25 -4.17 0.00 0.00 -1.56 0.00 0.00 34.95 28.97 1j9j s ARG 96 CO 0.29 -1.49 0.00 0.41 -0.81 0.00 0.00 175.30 173.70 1j9j n GLY 97 N 5.23 2.93 3.82 8.12 0.00 -0.55 -4.78 105.19 119.96 1j9j n GLY 97 Ca -0.06 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 1j9j n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j9j s PRO 98 N -3.23 3.09 -0.39 1.61 0.04 -1.24 -4.09 135.00 130.79 1j9j s PRO 98 Ca 0.00 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.05 1j9j s PRO 98 Cb 0.00 -2.01 0.16 0.00 0.04 0.00 0.00 34.50 32.69 1j9j s PRO 98 CO 0.00 -0.98 0.32 -0.80 0.04 0.00 0.00 177.00 175.58 1j9j s ASN 99 N -3.62 1.74 0.14 6.66 0.01 -1.26 -5.06 114.94 113.56 1j9j s ASN 99 Ca 0.59 -2.51 0.02 0.00 -0.71 0.00 0.00 52.86 50.25 1j9j s ASN 99 Cb -0.14 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 1j9j s ASN 99 CO 0.51 -0.22 -0.04 -0.04 -1.51 0.00 0.00 177.10 175.80 1j9j s MET 100 N 0.62 1.00 3.83 -0.60 -1.94 -1.26 -4.81 119.30 116.14 1j9j s MET 100 Ca 0.26 -1.45 0.00 0.00 -1.71 0.00 0.00 55.69 52.79 1j9j s MET 100 Cb -0.08 -0.29 0.00 0.00 2.01 0.00 0.00 34.83 36.47 1j9j s MET 100 CO -0.10 -0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.26 1j9j n GLY 101 N -0.16 0.87 0.23 -0.03 0.00 -1.26 -2.78 105.19 102.06 1j9j n GLY 101 Ca -0.09 -0.67 0.16 0.00 0.00 0.00 0.00 46.02 45.42 1j9j n GLY 101 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1j9j h MET 102 N 0.00 0.00 0.00 1.61 2.86 -1.37 -2.64 114.93 115.39 1j9j h MET 102 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1j9j h MET 102 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1j9j h MET 102 CO 0.00 0.00 0.00 -0.44 1.06 0.00 0.00 176.91 177.53 1j9j h ASP 103 N 0.00 0.00 0.34 1.22 3.32 -1.68 -1.89 116.42 117.74 1j9j h ASP 103 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1j9j h ASP 103 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1j9j h ASP 103 CO 0.00 0.00 -0.03 0.16 -1.72 0.00 0.00 179.24 177.65 1j9j h ILE 104 N 0.00 0.20 0.00 0.35 3.07 -1.61 -2.49 117.51 117.03 1j9j h ILE 104 Ca 0.00 -0.27 -0.05 0.00 1.55 0.00 0.00 64.86 66.10 1j9j h ILE 104 Cb 0.12 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 37.88 1j9j h ILE 104 CO 0.00 0.03 -0.22 -0.07 -1.05 0.00 0.00 178.15 176.84 1j9j h LEU 105 N 0.00 0.00 -3.16 0.16 3.38 -1.59 -2.85 115.31 111.26 1j9j h LEU 105 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j9j h LEU 105 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1j9j h LEU 105 CO 0.00 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.76 1j9j n HIS 106 N -4.06 0.84 -3.01 1.13 1.44 -0.94 -4.40 115.22 106.22 1j9j n HIS 106 Ca -0.02 -0.76 -0.41 0.00 -2.01 0.00 0.00 57.72 54.52 1j9j n HIS 106 Cb 0.30 -0.23 -0.05 0.00 0.12 0.00 0.00 29.99 30.12 1j9j n HIS 106 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1j9j s SER 107 N -1.61 6.77 0.23 4.39 0.15 -1.08 -1.93 113.70 120.62 1j9j s SER 107 Ca 0.37 0.94 0.01 0.00 0.70 0.00 0.00 55.95 57.98 1j9j s SER 107 Cb 0.28 -2.39 0.25 0.00 -1.71 0.00 0.00 66.02 62.44 1j9j s SER 107 CO 0.11 -0.37 1.58 1.23 1.20 0.00 0.00 173.24 176.99 1j9j h GLY 108 N 8.57 0.43 0.85 9.45 0.00 -1.80 -2.26 103.07 118.31 1j9j h GLY 108 Ca -0.28 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 46.59 1j9j h GLY 108 CO 0.81 0.43 0.02 -0.84 0.00 0.00 0.00 176.54 176.96 1j9j h THR 109 N 0.31 0.94 -0.54 4.70 2.02 -1.91 -2.02 112.91 116.41 1j9j h THR 109 Ca 0.01 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1j9j h THR 109 Cb 1.00 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1j9j h THR 109 CO 0.09 0.01 0.03 0.58 0.37 0.00 0.00 175.52 176.60 1j9j h VAL 110 N 0.08 1.25 -0.83 3.16 2.07 -1.87 -2.98 116.25 117.12 1j9j h VAL 110 Ca 0.06 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.60 1j9j h VAL 110 Cb 0.05 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1j9j h VAL 110 CO -0.08 0.37 0.52 -1.28 0.02 0.00 0.00 177.57 177.12 1j9j h SER 111 N 0.84 0.85 -0.39 0.57 0.87 -0.94 0.32 113.55 115.67 1j9j h SER 111 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1j9j h SER 111 Cb 0.45 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1j9j h SER 111 CO 0.02 0.57 0.26 1.23 -0.53 0.00 0.00 176.83 178.37 1j9j h GLY 112 N 0.99 0.56 1.48 5.77 0.00 -1.22 -1.46 103.07 109.18 1j9j h GLY 112 Ca 0.34 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 1j9j h GLY 112 CO -0.14 0.21 -0.45 0.00 0.00 0.00 0.00 176.54 176.16 1j9j h ALA 113 N 1.14 0.80 -0.04 3.60 0.00 -1.47 -3.00 119.26 120.28 1j9j h ALA 113 Ca 0.14 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1j9j h ALA 113 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1j9j h ALA 113 CO -0.03 0.66 -0.22 1.98 0.00 0.00 0.00 179.25 181.64 1j9j h MET 114 N 0.46 0.06 -0.28 0.00 -1.53 -0.62 -1.20 114.93 111.82 1j9j h MET 114 Ca 0.03 -0.02 -0.09 0.00 -3.44 0.00 0.00 59.70 56.18 1j9j h MET 114 Cb 0.96 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.99 1j9j h MET 114 CO 0.09 0.29 -0.20 1.49 0.14 0.00 0.00 176.91 178.71 1j9j h GLU 115 N 0.06 0.52 -0.41 0.39 4.57 -1.13 -0.90 114.58 117.67 1j9j h GLU 115 Ca 0.01 -0.18 -0.14 0.00 -1.18 0.00 0.00 59.36 57.87 1j9j h GLU 115 Cb 0.43 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1j9j h GLU 115 CO 0.03 0.70 -0.28 0.78 -1.18 0.00 0.00 179.01 179.06 1j9j h GLY 116 N 0.99 1.00 1.29 1.92 0.00 -1.21 -2.87 103.07 104.18 1j9j h GLY 116 Ca 0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 47.33 46.42 1j9j h GLY 116 CO 0.04 0.86 0.20 0.00 0.00 0.00 0.00 176.54 177.64 1j9j h ALA 117 N 0.81 1.22 0.00 3.60 0.00 -0.78 -0.58 119.26 123.53 1j9j h ALA 117 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1j9j h ALA 117 Cb 0.86 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1j9j h ALA 117 CO 0.08 0.55 -0.13 0.52 0.00 0.00 0.00 179.25 180.27 1j9j h MET 118 N 0.88 0.00 -0.07 0.00 2.07 -1.04 0.62 114.93 117.38 1j9j h MET 118 Ca 0.20 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 1j9j h MET 118 Cb 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 1j9j h MET 118 CO -0.01 0.13 0.00 -1.33 1.07 0.00 0.00 176.91 176.77 1j9j n MET 119 N -3.56 1.89 -3.26 1.72 2.81 -0.63 -4.94 117.12 111.15 1j9j n MET 119 Ca -0.01 -1.30 -0.17 0.00 -1.81 0.00 0.00 57.70 54.41 1j9j n MET 119 Cb 0.27 -1.46 0.06 0.00 -0.71 0.00 0.00 33.22 31.37 1j9j n MET 119 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1j9j n ASN 120 N 0.56 -5.04 -4.41 7.83 5.15 0.21 -5.03 115.26 114.52 1j9j n ASN 120 Ca 0.17 -0.38 -0.33 0.00 -0.60 0.00 0.00 54.58 53.45 1j9j n ASN 120 Cb 0.42 -3.65 -0.14 0.00 -0.53 0.00 0.00 39.78 35.88 1j9j n ASN 120 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1j9j s ILE 121 N -3.22 3.03 -0.14 -1.44 1.01 -0.32 -4.93 121.20 115.18 1j9j s ILE 121 Ca 0.41 -0.70 -0.35 0.00 0.00 0.00 0.00 60.65 60.01 1j9j s ILE 121 Cb -0.18 -2.23 -0.12 0.00 0.01 0.00 0.00 42.46 39.94 1j9j s ILE 121 CO 0.51 0.55 1.88 -2.65 0.00 0.00 0.00 174.94 175.23 1j9j n PRO 122 N 2.98 1.94 -4.21 2.79 -0.02 -1.26 -3.89 135.00 133.33 1j9j n PRO 122 Ca -0.18 0.71 -0.18 0.00 -2.02 0.00 0.00 63.50 61.83 1j9j n PRO 122 Cb 0.52 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.33 1j9j n PRO 122 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1j9j s SER 123 N 4.19 1.43 -0.02 2.55 0.01 -1.26 -1.50 113.70 119.10 1j9j s SER 123 Ca 0.95 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.71 1j9j s SER 123 Cb -0.77 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 65.42 1j9j s SER 123 CO 0.54 -0.06 -0.06 -0.63 0.41 0.00 0.00 173.24 173.45 1j9j s ILE 124 N -1.08 0.51 -0.17 1.44 1.01 0.33 -1.90 121.20 121.34 1j9j s ILE 124 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1j9j s ILE 124 Cb -0.09 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 1j9j s ILE 124 CO 0.01 0.18 -0.06 0.00 0.00 0.00 0.00 174.94 175.07 1j9j s ALA 125 N 0.30 2.84 -0.06 9.38 0.00 -0.30 -0.48 121.76 133.43 1j9j s ALA 125 Ca -0.04 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1j9j s ALA 125 Cb -0.08 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.54 1j9j s ALA 125 CO -0.00 0.01 -0.12 -1.50 0.00 0.00 0.00 175.76 174.15 1j9j s ILE 126 N 0.72 1.12 0.04 0.00 2.07 -0.18 -0.37 121.20 124.61 1j9j s ILE 126 Ca -0.03 -0.49 0.04 0.00 -1.41 0.00 0.00 60.65 58.77 1j9j s ILE 126 Cb -0.15 -1.01 -0.02 0.00 0.13 0.00 0.00 42.46 41.41 1j9j s ILE 126 CO 0.02 0.35 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.83 1j9j s SER 127 N 0.55 1.52 -0.34 4.50 0.01 -0.32 -1.43 113.70 118.19 1j9j s SER 127 Ca -0.12 -0.48 -0.18 0.00 1.31 0.00 0.00 55.95 56.48 1j9j s SER 127 Cb -0.15 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 1j9j s SER 127 CO 0.03 -0.01 0.50 -0.55 0.41 0.00 0.00 173.24 173.63 1j9j s SER 128 N -1.25 6.32 0.00 2.44 0.15 -0.54 -0.79 113.70 120.03 1j9j s SER 128 Ca -0.00 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1j9j s SER 128 Cb -0.08 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1j9j s SER 128 CO 0.01 -0.46 0.37 0.00 1.20 0.00 0.00 173.24 174.36 1j9j n ALA 129 N 5.71 1.89 -3.40 5.45 0.00 0.01 -1.48 120.51 128.68 1j9j n ALA 129 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 1j9j n ALA 129 Cb 0.49 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 1j9j n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j9j s ASN 130 N 1.16 1.20 0.13 0.00 3.84 -1.26 -4.56 114.94 115.45 1j9j s ASN 130 Ca 0.00 -0.39 -0.14 0.00 0.21 0.00 0.00 52.86 52.54 1j9j s ASN 130 Cb 0.00 0.65 -0.01 0.00 -0.55 0.00 0.00 41.25 41.34 1j9j s ASN 130 CO 0.00 -0.35 1.58 0.22 -2.79 0.00 0.00 177.10 175.76 1j9j h TYR 131 N 8.25 0.81 -0.29 0.43 3.20 -1.86 -2.23 116.97 125.27 1j9j h TYR 131 Ca -0.15 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.55 1j9j h TYR 131 Cb 1.11 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1j9j h TYR 131 CO 0.21 0.80 0.06 0.93 -1.64 0.00 0.00 178.16 178.52 1j9j h GLU 132 N 0.58 0.48 -2.61 1.82 4.39 -1.96 -3.39 114.58 113.90 1j9j h GLU 132 Ca 0.12 -0.12 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1j9j h GLU 132 Cb 0.47 -0.06 -0.39 0.00 -0.10 0.00 0.00 28.75 28.67 1j9j h GLU 132 CO 0.02 0.58 -0.84 -1.12 -1.16 0.00 0.00 179.01 176.48 1j9j s SER 133 N -5.89 2.57 0.75 1.42 0.01 -1.23 -5.13 113.70 106.21 1j9j s SER 133 Ca -0.13 -3.26 -0.11 0.00 1.31 0.00 0.00 55.95 53.76 1j9j s SER 133 Cb 0.08 -0.81 0.04 0.00 0.21 0.00 0.00 66.02 65.54 1j9j s SER 133 CO 0.75 -0.15 1.08 -2.16 0.41 0.00 0.00 173.24 173.16 1j9j s PRO 134 N -0.35 2.52 -0.50 12.44 0.04 -0.84 -4.72 135.00 143.59 1j9j s PRO 134 Ca 0.29 0.90 0.05 0.00 0.04 0.00 0.00 61.00 62.28 1j9j s PRO 134 Cb -0.01 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.77 1j9j s PRO 134 CO -0.17 -1.38 0.42 -3.47 0.04 0.00 0.00 177.00 172.43 1j9j n ASP 135 N -3.31 0.75 -0.26 6.66 2.03 -1.26 -4.98 116.55 116.18 1j9j n ASP 135 Ca 0.08 -2.68 -0.05 0.00 0.52 0.00 0.00 54.79 52.65 1j9j n ASP 135 Cb 0.54 -0.62 0.05 0.00 -0.72 0.00 0.00 41.12 40.37 1j9j n ASP 135 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1j9j h PHE 136 N 5.35 0.95 -0.29 -0.67 0.05 -1.95 -2.40 116.94 117.98 1j9j h PHE 136 Ca 0.22 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.98 1j9j h PHE 136 Cb 0.85 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 38.48 1j9j h PHE 136 CO 0.41 0.65 0.10 1.49 -0.18 0.00 0.00 178.31 180.78 1j9j h GLU 137 N 0.97 0.45 -0.95 1.51 4.81 -1.94 -1.17 114.58 118.27 1j9j h GLU 137 Ca 0.25 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1j9j h GLU 137 Cb -0.01 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1j9j h GLU 137 CO -0.05 0.50 0.62 0.78 -0.73 0.00 0.00 179.01 180.13 1j9j h GLY 138 N 0.32 1.37 1.00 1.92 0.00 -1.94 -0.21 103.07 105.53 1j9j h GLY 138 Ca 0.10 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1j9j h GLY 138 CO -0.00 0.41 -0.18 0.00 0.00 0.00 0.00 176.54 176.77 1j9j h ALA 139 N 1.38 0.53 -0.59 3.60 0.00 -1.25 -2.24 119.26 120.69 1j9j h ALA 139 Ca 0.37 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1j9j h ALA 139 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1j9j h ALA 139 CO -0.11 0.47 0.09 0.00 0.00 0.00 0.00 179.25 179.69 1j9j h ALA 140 N 0.80 0.79 -0.21 0.00 0.00 -0.80 -2.31 119.26 117.52 1j9j h ALA 140 Ca 0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1j9j h ALA 140 Cb 0.73 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1j9j h ALA 140 CO 0.06 0.55 -0.28 0.00 0.00 0.00 0.00 179.25 179.57 1j9j h ARG 141 N 0.89 0.41 -0.45 0.00 3.08 -1.01 -2.30 114.38 115.00 1j9j h ARG 141 Ca 0.18 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1j9j h ARG 141 Cb 0.44 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1j9j h ARG 141 CO 0.01 0.66 0.19 0.35 -1.07 0.00 0.00 179.97 180.12 1j9j h PHE 142 N 0.36 0.68 -0.73 3.04 3.57 -1.16 -2.76 116.94 119.94 1j9j h PHE 142 Ca 0.05 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1j9j h PHE 142 Cb 0.69 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1j9j h PHE 142 CO 0.02 0.57 0.45 1.25 -2.23 0.00 0.00 178.31 178.37 1j9j h LEU 143 N 0.59 0.72 -0.63 0.59 5.85 -1.02 -0.13 115.31 121.27 1j9j h LEU 143 Ca 0.15 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1j9j h LEU 143 Cb 0.17 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1j9j h LEU 143 CO -0.01 0.49 0.41 0.40 -0.34 0.00 0.00 178.44 179.38 1j9j h ILE 144 N 0.86 1.14 -0.43 4.05 1.08 -1.19 -1.48 117.51 121.54 1j9j h ILE 144 Ca 0.31 -0.29 -0.15 0.00 -0.39 0.00 0.00 64.86 64.34 1j9j h ILE 144 Cb 0.08 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 1j9j h ILE 144 CO -0.13 0.15 -0.31 0.44 -0.69 0.00 0.00 178.15 177.61 1j9j h ASP 145 N 0.83 1.01 -0.72 1.72 3.32 -1.17 -3.19 116.42 118.21 1j9j h ASP 145 Ca 0.24 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1j9j h ASP 145 Cb -0.07 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 1j9j h ASP 145 CO -0.06 1.23 0.42 0.15 -1.72 0.00 0.00 179.24 179.25 1j9j h PHE 146 N 0.80 0.97 -0.19 4.55 3.57 -0.72 -2.70 116.94 123.22 1j9j h PHE 146 Ca 0.08 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1j9j h PHE 146 Cb 0.90 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1j9j h PHE 146 CO 0.06 0.67 0.15 -0.07 -2.23 0.00 0.00 178.31 176.88 1j9j h LEU 147 N 0.99 0.00 0.00 0.59 3.38 -1.26 -0.16 115.31 118.85 1j9j h LEU 147 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1j9j h LEU 147 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1j9j h LEU 147 CO -0.05 0.00 -0.06 0.29 0.09 0.00 0.00 178.44 178.71 1j9j n LYS 148 N -4.36 0.02 -0.01 1.13 5.02 -1.02 -3.66 118.16 115.29 1j9j n LYS 148 Ca 0.02 0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.33 1j9j n LYS 148 Cb 0.28 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1j9j n LYS 148 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1j9j n GLU 149 N -1.56 0.35 -4.30 1.97 1.02 -0.17 -5.02 120.64 112.94 1j9j n GLU 149 Ca 0.07 -0.91 -0.34 0.00 -0.02 0.00 0.00 57.16 55.96 1j9j n GLU 149 Cb 0.35 -1.05 -0.11 0.00 -0.02 0.00 0.00 31.44 30.61 1j9j n GLU 149 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1j9j s PHE 150 N -0.42 3.10 -0.62 -0.32 5.36 -0.63 -5.07 117.98 119.38 1j9j s PHE 150 Ca 0.03 -0.15 -0.20 0.00 -0.96 0.00 0.00 56.93 55.65 1j9j s PHE 150 Cb 0.02 -1.97 0.09 0.00 -0.34 0.00 0.00 43.02 40.82 1j9j s PHE 150 CO 0.03 0.07 0.81 0.34 -1.46 0.00 0.00 175.22 175.01 1j9j s ASP 151 N 0.24 6.18 0.04 6.13 -1.08 -1.26 -4.94 116.67 121.98 1j9j s ASP 151 Ca -0.01 -1.26 0.07 0.00 -0.52 0.00 0.00 52.55 50.84 1j9j s ASP 151 Cb -0.13 -2.35 0.34 0.00 -1.46 0.00 0.00 42.92 39.32 1j9j s ASP 151 CO 0.02 -1.25 1.23 0.49 0.52 0.00 0.00 175.17 176.18 1j9j n PHE 152 N 6.90 0.11 0.42 -5.34 3.01 -1.26 -1.74 117.46 119.56 1j9j n PHE 152 Ca -0.07 0.05 0.13 0.00 1.01 0.00 0.00 57.45 58.57 1j9j n PHE 152 Cb 0.44 -0.58 0.46 0.00 -0.01 0.00 0.00 39.48 39.79 1j9j n PHE 152 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1j9j h SER 153 N 0.00 0.00 0.96 4.37 4.64 -2.03 -2.54 113.55 118.95 1j9j h SER 153 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j9j h SER 153 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1j9j h SER 153 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1j9j n LEU 154 N -2.50 0.09 -4.56 5.97 4.77 -0.71 -4.65 117.00 115.42 1j9j n LEU 154 Ca 0.03 0.51 -0.43 0.00 -0.03 0.00 0.00 56.01 56.09 1j9j n LEU 154 Cb 0.34 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1j9j n LEU 154 CO 0.26 -0.07 0.65 -0.22 -1.33 0.00 0.00 177.39 176.68 1j9j s LEU 155 N -3.18 4.12 0.99 2.23 2.96 -0.96 -5.03 118.68 119.81 1j9j s LEU 155 Ca 0.12 0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 54.01 1j9j s LEU 155 Cb 0.17 -3.08 0.18 0.00 0.50 0.00 0.00 46.19 43.96 1j9j s LEU 155 CO 0.49 -0.94 1.10 -1.81 -1.32 0.00 0.00 176.35 173.87 1j9j s ASP 156 N 2.13 2.43 0.60 3.68 -0.00 -1.26 -4.89 116.67 119.35 1j9j s ASP 156 Ca 0.33 1.89 -0.19 0.00 -0.00 0.00 0.00 52.55 54.58 1j9j s ASP 156 Cb -0.11 -2.44 -0.04 0.00 -0.00 0.00 0.00 42.92 40.32 1j9j s ASP 156 CO 0.23 -3.36 1.11 -0.81 -0.00 0.00 0.00 175.17 172.34 1j9j n PRO 157 N -4.39 1.08 -1.56 8.23 -0.04 -1.26 -2.08 135.00 134.99 1j9j n PRO 157 Ca 0.08 0.41 -0.17 0.00 -0.04 0.00 0.00 63.50 63.79 1j9j n PRO 157 Cb 0.53 -2.32 -0.07 0.00 -0.04 0.00 0.00 33.50 31.61 1j9j n PRO 157 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j9j n PHE 158 N -1.64 -0.24 -4.84 0.54 3.01 -1.25 -4.96 117.46 108.09 1j9j n PHE 158 Ca 0.14 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.27 1j9j n PHE 158 Cb 0.47 -3.08 -0.14 0.00 -0.01 0.00 0.00 39.48 36.72 1j9j n PHE 158 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1j9j s THR 159 N -2.49 3.07 0.44 4.37 2.01 -0.88 -4.10 115.64 118.07 1j9j s THR 159 Ca 0.00 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.35 1j9j s THR 159 Cb 0.00 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1j9j s THR 159 CO 0.00 0.56 0.02 0.00 -0.69 0.00 0.00 174.62 174.52 1j9j s MET 160 N -0.30 2.03 -0.16 4.92 0.23 -0.20 -4.64 119.30 121.18 1j9j s MET 160 Ca 0.02 -2.22 -0.01 0.00 -1.03 0.00 0.00 55.69 52.45 1j9j s MET 160 Cb -0.13 -1.42 -0.01 0.00 -1.53 0.00 0.00 34.83 31.75 1j9j s MET 160 CO 0.03 -0.24 -0.12 -0.51 -2.03 0.00 0.00 175.02 172.15 1j9j s LEU 161 N -3.75 2.65 -0.38 0.18 1.02 -0.80 -1.19 118.68 116.41 1j9j s LEU 161 Ca 0.22 -0.41 -0.12 0.00 0.02 0.00 0.00 54.13 53.83 1j9j s LEU 161 Cb 0.06 -1.62 0.02 0.00 0.02 0.00 0.00 46.19 44.67 1j9j s LEU 161 CO 0.11 0.08 0.23 0.21 0.02 0.00 0.00 176.35 177.01 1j9j s ASN 162 N 0.86 5.85 -0.12 2.29 2.47 0.71 -1.15 114.94 125.85 1j9j s ASN 162 Ca -0.04 -0.95 -0.01 0.00 0.42 0.00 0.00 52.86 52.28 1j9j s ASN 162 Cb -0.15 -2.07 -0.03 0.00 -1.45 0.00 0.00 41.25 37.56 1j9j s ASN 162 CO 0.00 -0.40 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.28 1j9j s ILE 163 N 1.59 3.63 -0.16 -5.21 1.01 0.50 -1.51 121.20 121.06 1j9j s ILE 163 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1j9j s ILE 163 Cb -0.19 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1j9j s ILE 163 CO 0.08 0.53 -0.14 0.20 0.00 0.00 0.00 174.94 175.61 1j9j s ASN 164 N -0.00 2.79 -0.20 3.58 -0.87 -0.57 -1.17 114.94 118.49 1j9j s ASN 164 Ca -0.01 -0.54 -0.08 0.00 -1.57 0.00 0.00 52.86 50.67 1j9j s ASN 164 Cb -0.14 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.25 39.84 1j9j s ASN 164 CO 0.03 -0.06 0.08 -0.69 -2.57 0.00 0.00 177.10 173.89 1j9j s VAL 165 N 1.46 4.86 0.39 1.60 1.01 0.03 -1.41 120.40 128.34 1j9j s VAL 165 Ca 0.04 -0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 1j9j s VAL 165 Cb -0.13 -3.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 1j9j s VAL 165 CO -0.11 0.43 1.49 -2.84 0.00 0.00 0.00 175.10 174.08 1j9j s PRO 166 N 0.58 4.05 0.19 2.72 0.02 -1.26 -0.81 135.00 140.48 1j9j s PRO 166 Ca 0.04 2.58 -0.03 0.00 0.02 0.00 0.00 61.00 63.61 1j9j s PRO 166 Cb -0.13 -2.93 0.11 0.00 0.02 0.00 0.00 34.50 31.57 1j9j s PRO 166 CO 0.01 -0.58 1.50 0.00 -0.33 0.00 0.00 177.00 177.60 1j9j h ALA 167 N 2.91 0.69 -3.00 -1.55 0.00 -1.92 -3.45 119.26 112.95 1j9j h ALA 167 Ca -0.51 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1j9j h ALA 167 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1j9j h ALA 167 CO 0.64 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.99 1j9j n GLY 168 N 0.28 -0.08 3.77 0.00 0.00 -1.26 -4.77 105.19 103.13 1j9j n GLY 168 Ca -0.03 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 1j9j n GLY 168 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j9j s GLU 169 N 0.00 4.64 -0.32 1.61 -1.05 -1.26 -5.03 118.70 117.29 1j9j s GLU 169 Ca 0.00 1.33 -0.17 0.00 -0.15 0.00 0.00 54.97 55.98 1j9j s GLU 169 Cb 0.00 -2.99 -0.01 0.00 -0.44 0.00 0.00 34.13 30.68 1j9j s GLU 169 CO 0.00 0.39 0.46 0.42 0.95 0.00 0.00 175.26 177.48 1j9j s ILE 170 N -1.44 5.08 -0.03 1.83 1.01 -1.26 -4.84 121.20 121.55 1j9j s ILE 170 Ca 0.46 0.40 0.12 0.00 0.00 0.00 0.00 60.65 61.63 1j9j s ILE 170 Cb -0.21 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1j9j s ILE 170 CO 0.26 -0.09 1.39 0.11 0.00 0.00 0.00 174.94 176.61 1j9j h LYS 171 N 8.35 0.00 0.00 2.79 1.57 -1.15 -3.50 116.57 124.64 1j9j h LYS 171 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1j9j h LYS 171 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1j9j h LYS 171 CO 0.73 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 180.71 1j9j n GLY 172 N 1.22 -0.73 3.13 3.86 0.00 -1.25 -5.03 105.19 106.39 1j9j n GLY 172 Ca 0.01 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1j9j n GLY 172 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1j9j s TRP 173 N -3.00 0.83 -0.00 1.61 -2.14 -1.26 -0.73 118.94 114.24 1j9j s TRP 173 Ca 0.00 -0.75 -0.02 0.00 2.66 0.00 0.00 56.10 57.99 1j9j s TRP 173 Cb 0.00 -0.48 -0.00 0.00 -3.10 0.00 0.00 33.47 29.88 1j9j s TRP 173 CO 0.00 -0.12 0.04 1.03 -2.66 0.00 0.00 176.95 175.25 1j9j s ARG 174 N -2.97 0.21 -0.27 3.25 1.81 -0.02 -4.88 118.95 116.08 1j9j s ARG 174 Ca 0.04 -0.21 -0.22 0.00 -1.72 0.00 0.00 55.73 53.62 1j9j s ARG 174 Cb -0.01 0.08 -0.01 0.00 -0.45 0.00 0.00 34.95 34.56 1j9j s ARG 174 CO -0.03 -0.04 0.70 -0.06 -0.68 0.00 0.00 175.30 175.20 1j9j s PHE 175 N -0.65 3.27 0.42 -0.53 0.40 -1.26 -0.83 117.98 118.79 1j9j s PHE 175 Ca -0.07 0.86 0.07 0.00 -0.60 0.00 0.00 56.93 57.18 1j9j s PHE 175 Cb -0.04 -2.97 -0.07 0.00 0.51 0.00 0.00 43.02 40.44 1j9j s PHE 175 CO -0.00 -0.40 0.02 0.95 0.70 0.00 0.00 175.22 176.48 1j9j s THR 176 N 2.68 1.96 0.22 0.64 -4.23 0.05 -4.91 115.64 112.04 1j9j s THR 176 Ca 0.29 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.89 1j9j s THR 176 Cb -0.15 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1j9j s THR 176 CO 0.09 0.00 0.10 0.00 -0.54 0.00 0.00 174.62 174.27 1j9j s ARG 177 N -3.73 2.68 0.30 3.99 1.70 -0.88 -4.16 118.95 118.86 1j9j s ARG 177 Ca 0.33 -1.10 -0.29 0.00 -0.47 0.00 0.00 55.73 54.21 1j9j s ARG 177 Cb 0.09 -2.46 -0.10 0.00 -0.57 0.00 0.00 34.95 31.92 1j9j s ARG 177 CO 0.17 0.42 1.27 -1.14 -1.08 0.00 0.00 175.30 174.94 1j9j s GLN 178 N -3.45 4.42 0.76 3.89 0.74 -1.26 -1.56 119.66 123.19 1j9j s GLN 178 Ca 0.31 2.11 -0.02 0.00 0.05 0.00 0.00 55.36 57.81 1j9j s GLN 178 Cb -0.08 -3.11 0.14 0.00 1.10 0.00 0.00 33.01 31.06 1j9j s GLN 178 CO 0.22 -0.12 1.04 -1.54 -0.55 0.00 0.00 175.29 174.35 1j9j s SER 179 N -0.45 4.14 -0.24 6.67 1.04 -1.26 -4.81 113.70 118.79 1j9j s SER 179 Ca 0.49 -0.39 0.14 0.00 0.48 0.00 0.00 55.95 56.67 1j9j s SER 179 Cb -0.38 0.10 0.67 0.00 0.10 0.00 0.00 66.02 66.51 1j9j s SER 179 CO 0.48 -2.01 1.62 -2.11 0.98 0.00 0.00 173.24 172.20 1j9j n ARG 180 N -2.95 3.59 -1.67 4.02 1.85 -1.26 -3.93 116.66 116.31 1j9j n ARG 180 Ca 0.16 -3.03 -0.46 0.00 -1.00 0.00 0.00 57.85 53.52 1j9j n ARG 180 Cb 0.61 -2.06 -0.04 0.00 -1.05 0.00 0.00 32.46 29.92 1j9j n ARG 180 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1j9j n ARG 181 N -0.16 2.13 -1.62 2.89 0.63 -1.26 -4.68 116.66 114.58 1j9j n ARG 181 Ca 0.29 0.76 -0.01 0.00 -0.92 0.00 0.00 57.85 57.97 1j9j n ARG 181 Cb 1.12 -2.51 -0.00 0.00 0.45 0.00 0.00 32.46 31.52 1j9j n ARG 181 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1j9j n ARG 182 N 3.05 0.09 -4.25 -0.14 1.85 -1.05 -1.46 116.66 114.76 1j9j n ARG 182 Ca 0.16 -0.27 -0.21 0.00 -1.00 0.00 0.00 57.85 56.52 1j9j n ARG 182 Cb 0.29 0.29 -0.12 0.00 -1.05 0.00 0.00 32.46 31.87 1j9j n ARG 182 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1j9j s TRP 183 N -6.13 1.56 -0.66 2.89 0.52 -1.26 -0.48 118.94 115.38 1j9j s TRP 183 Ca 0.03 -0.45 -0.13 0.00 0.02 0.00 0.00 56.10 55.56 1j9j s TRP 183 Cb -0.00 -0.85 0.17 0.00 -1.15 0.00 0.00 33.47 31.64 1j9j s TRP 183 CO 0.02 0.16 0.59 1.21 0.02 0.00 0.00 176.95 178.95 1j9j s ASN 184 N -1.98 6.29 1.09 2.95 3.04 0.12 -4.93 114.94 121.52 1j9j s ASN 184 Ca 0.05 -2.29 -0.16 0.00 0.04 0.00 0.00 52.86 50.50 1j9j s ASN 184 Cb -0.09 -2.15 0.23 0.00 -1.54 0.00 0.00 41.25 37.70 1j9j s ASN 184 CO 0.04 -0.67 1.13 -1.81 -3.04 0.00 0.00 177.10 172.75 1j9j s ASP 185 N 2.61 1.90 0.00 -4.21 1.01 -1.26 -1.97 116.67 114.74 1j9j s ASP 185 Ca 0.11 0.77 0.00 0.00 0.71 0.00 0.00 52.55 54.14 1j9j s ASP 185 Cb -0.20 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.59 1j9j s ASP 185 CO -0.03 -3.53 0.00 0.00 0.21 0.00 0.00 175.17 171.81 1j9j n TYR 186 N -4.39 0.00 -4.23 4.23 0.18 -0.95 -4.89 117.16 107.11 1j9j n TYR 186 Ca 0.10 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.70 1j9j n TYR 186 Cb 0.59 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.44 1j9j n TYR 186 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1j9j s PHE 187 N -2.00 1.36 -0.15 -3.48 0.40 -1.26 -1.14 117.98 111.71 1j9j s PHE 187 Ca 0.00 -0.55 -0.04 0.00 -0.60 0.00 0.00 56.93 55.75 1j9j s PHE 187 Cb 0.00 -0.72 -0.03 0.00 0.51 0.00 0.00 43.02 42.78 1j9j s PHE 187 CO 0.00 0.12 -0.03 -2.00 0.70 0.00 0.00 175.22 174.02 1j9j s GLU 188 N -2.54 3.64 -0.09 0.44 2.12 -0.95 -4.94 118.70 116.38 1j9j s GLU 188 Ca 0.07 -0.50 -0.11 0.00 0.36 0.00 0.00 54.97 54.79 1j9j s GLU 188 Cb -0.05 -2.93 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 1j9j s GLU 188 CO 0.03 0.29 0.27 -2.00 -0.54 0.00 0.00 175.26 173.30 1j9j s GLU 189 N 0.25 3.82 0.25 4.30 2.12 -1.26 -2.04 118.70 126.13 1j9j s GLU 189 Ca -0.02 0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.43 1j9j s GLU 189 Cb -0.14 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1j9j s GLU 189 CO 0.03 0.61 0.14 1.03 -0.54 0.00 0.00 175.26 176.53 1j9j s ARG 190 N -0.66 1.38 -0.04 4.30 0.52 -0.86 -4.99 118.95 118.59 1j9j s ARG 190 Ca 0.18 -1.75 0.06 0.00 -0.52 0.00 0.00 55.73 53.70 1j9j s ARG 190 Cb -0.14 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.40 1j9j s ARG 190 CO 0.07 -0.40 -0.23 0.08 0.02 0.00 0.00 175.30 174.84 1j9j s VAL 191 N -3.89 1.85 0.89 3.52 1.01 -1.26 -1.14 120.40 121.38 1j9j s VAL 191 Ca 0.38 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1j9j s VAL 191 Cb 0.06 -1.57 0.15 0.00 0.00 0.00 0.00 36.38 35.03 1j9j s VAL 191 CO 0.15 0.52 1.24 -0.94 0.00 0.00 0.00 175.10 176.07 1j9j s SER 192 N -0.21 3.75 0.48 3.32 1.04 0.16 -4.91 113.70 117.33 1j9j s SER 192 Ca -0.01 0.44 0.33 0.00 0.48 0.00 0.00 55.95 57.19 1j9j s SER 192 Cb -0.12 -0.69 1.54 0.00 0.10 0.00 0.00 66.02 66.84 1j9j s SER 192 CO 0.02 -2.35 1.98 -0.65 0.98 0.00 0.00 173.24 173.22 1j9j h PRO 193 N -1.34 0.00 -0.09 4.02 0.11 -2.01 -1.70 132.00 130.98 1j9j h PRO 193 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j9j h PRO 193 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1j9j h PRO 193 CO 0.49 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.47 1j9j n PHE 194 N -2.77 0.11 -0.68 0.65 3.01 -1.26 -4.92 117.46 111.59 1j9j n PHE 194 Ca -0.00 -0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1j9j n PHE 194 Cb 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1j9j n PHE 194 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j9j n GLY 195 N 1.19 0.76 3.82 1.37 0.00 -0.64 -5.04 105.19 106.66 1j9j n GLY 195 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1j9j n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9j s GLU 196 N -0.32 3.89 0.30 1.61 2.12 -1.26 -4.78 118.70 120.27 1j9j s GLU 196 Ca 0.00 0.27 -0.15 0.00 0.36 0.00 0.00 54.97 55.44 1j9j s GLU 196 Cb 0.00 -3.25 -0.09 0.00 0.26 0.00 0.00 34.13 31.05 1j9j s GLU 196 CO 0.00 0.62 0.72 -1.59 -0.54 0.00 0.00 175.26 174.47 1j9j s LYS 197 N -0.77 4.03 0.23 4.30 -2.85 -1.26 0.37 119.74 123.80 1j9j s LYS 197 Ca 0.21 0.67 0.03 0.00 -1.00 0.00 0.00 55.97 55.89 1j9j s LYS 197 Cb -0.15 -2.52 -0.05 0.00 -2.06 0.00 0.00 37.83 33.05 1j9j s LYS 197 CO 0.10 0.20 0.01 1.52 0.10 0.00 0.00 175.35 177.29 1j9j s TYR 198 N -1.90 1.54 -0.02 1.78 -0.85 -0.29 -4.91 117.35 112.70 1j9j s TYR 198 Ca 0.52 -0.97 0.05 0.00 -0.52 0.00 0.00 57.07 56.15 1j9j s TYR 198 Cb -0.11 -0.90 -0.01 0.00 0.38 0.00 0.00 41.96 41.32 1j9j s TYR 198 CO 0.18 -0.09 -0.16 0.71 -1.52 0.00 0.00 175.55 174.67 1j9j s TYR 199 N -3.48 1.49 -0.20 -3.49 1.51 -1.26 -2.02 117.35 109.89 1j9j s TYR 199 Ca 0.29 -0.33 -0.06 0.00 -1.01 0.00 0.00 57.07 55.96 1j9j s TYR 199 Cb 0.06 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 1j9j s TYR 199 CO 0.09 -0.07 0.04 -1.58 -1.11 0.00 0.00 175.55 172.92 1j9j s TRP 200 N -0.22 3.12 0.08 2.71 0.52 -0.87 -4.95 118.94 119.33 1j9j s TRP 200 Ca 0.03 -0.23 -0.30 0.00 0.02 0.00 0.00 56.10 55.61 1j9j s TRP 200 Cb -0.08 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 1j9j s TRP 200 CO 0.00 -0.11 1.07 1.41 0.02 0.00 0.00 176.95 179.34 1j9j s MET 201 N 0.90 4.56 0.31 4.98 -2.45 -1.26 -2.24 119.30 124.10 1j9j s MET 201 Ca 0.03 1.60 0.05 0.00 -1.25 0.00 0.00 55.69 56.12 1j9j s MET 201 Cb -0.14 -3.37 -0.03 0.00 1.25 0.00 0.00 34.83 32.54 1j9j s MET 201 CO 0.02 -0.03 0.24 -1.64 1.05 0.00 0.00 175.02 174.66 1j9j s MET 202 N 0.49 1.66 0.00 4.11 -1.94 -0.29 -4.99 119.30 118.34 1j9j s MET 202 Ca 0.52 -1.95 0.00 0.00 -1.71 0.00 0.00 55.69 52.55 1j9j s MET 202 Cb -0.26 0.24 0.00 0.00 2.01 0.00 0.00 34.83 36.82 1j9j s MET 202 CO 0.30 -0.58 0.00 0.41 -0.01 0.00 0.00 175.02 175.14 1j9j n GLY 203 N -0.57 0.73 3.12 -0.03 0.00 -1.26 -2.25 105.19 104.92 1j9j n GLY 203 Ca 0.05 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1j9j n GLY 203 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9j s GLU 204 N -2.00 2.15 0.47 1.61 2.02 -0.83 -4.93 118.70 117.19 1j9j s GLU 204 Ca 0.00 -0.62 -0.23 0.00 0.02 0.00 0.00 54.97 54.14 1j9j s GLU 204 Cb 0.00 -1.73 -0.07 0.00 0.10 0.00 0.00 34.13 32.43 1j9j s GLU 204 CO 0.00 0.14 1.24 0.54 0.02 0.00 0.00 175.26 177.20 1j9j s VAL 205 N 0.38 2.76 -0.22 2.63 0.11 -1.26 -0.70 120.40 124.09 1j9j s VAL 205 Ca -0.13 0.59 0.02 0.00 -2.93 0.00 0.00 61.98 59.53 1j9j s VAL 205 Cb -0.15 -3.31 0.04 0.00 -1.53 0.00 0.00 36.38 31.43 1j9j s VAL 205 CO 0.05 0.01 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.05 1j9j s ILE 206 N -1.43 2.12 -0.38 7.04 1.01 0.36 -4.86 121.20 125.06 1j9j s ILE 206 Ca 0.64 -1.32 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1j9j s ILE 206 Cb -0.33 -2.09 0.11 0.00 0.01 0.00 0.00 42.46 40.16 1j9j s ILE 206 CO 0.40 0.23 0.11 -1.61 0.00 0.00 0.00 174.94 174.07 1j9j s GLU 207 N 1.19 1.52 -0.09 2.79 2.02 -1.26 -2.52 118.70 122.33 1j9j s GLU 207 Ca -0.03 -1.98 0.17 0.00 0.02 0.00 0.00 54.97 53.15 1j9j s GLU 207 Cb -0.17 -3.09 0.36 0.00 0.10 0.00 0.00 34.13 31.33 1j9j s GLU 207 CO -0.09 -0.99 1.17 -0.40 0.02 0.00 0.00 175.26 174.97 1j9j n ASP 208 N 4.02 1.30 -4.73 -0.19 5.68 -1.26 -5.07 116.55 116.30 1j9j n ASP 208 Ca 0.04 -2.84 -0.41 0.00 -0.50 0.00 0.00 54.79 51.07 1j9j n ASP 208 Cb 0.39 -0.39 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 1j9j n ASP 208 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1j9j s ASP 209 N -2.45 7.29 0.15 -1.12 -1.08 -1.26 -4.94 116.67 113.26 1j9j s ASP 209 Ca 0.31 1.96 0.19 0.00 -0.52 0.00 0.00 52.55 54.50 1j9j s ASP 209 Cb 0.33 -2.59 -0.05 0.00 -1.46 0.00 0.00 42.92 39.14 1j9j s ASP 209 CO -0.09 -0.24 0.98 -2.24 0.52 0.00 0.00 175.17 174.11 1j9j h ASP 210 N 5.70 0.00 -3.91 -0.34 2.03 -2.05 -3.46 116.42 114.39 1j9j h ASP 210 Ca -0.43 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.37 1j9j h ASP 210 Cb 1.21 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.75 1j9j h ASP 210 CO 0.74 0.34 0.48 -0.13 -1.03 0.00 0.00 179.24 179.64 1j9j s ARG 211 N -3.10 4.22 0.24 4.15 0.52 -1.26 -4.96 118.95 118.75 1j9j s ARG 211 Ca -0.01 1.77 0.23 0.00 -0.52 0.00 0.00 55.73 57.20 1j9j s ARG 211 Cb 0.09 -2.77 0.24 0.00 0.52 0.00 0.00 34.95 33.03 1j9j s ARG 211 CO 0.79 -0.16 1.32 -0.44 0.02 0.00 0.00 175.30 176.83 1j9j h ASP 212 N 2.89 0.00 -0.69 0.23 5.19 -2.04 -3.37 116.42 118.63 1j9j h ASP 212 Ca -0.48 -0.06 -0.33 0.00 -0.62 0.00 0.00 57.03 55.54 1j9j h ASP 212 Cb 1.22 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.54 1j9j h ASP 212 CO 0.63 0.03 0.42 -0.90 -3.12 0.00 0.00 179.24 176.30 1j9j n ASP 213 N -2.60 3.68 -4.91 6.45 5.75 -1.26 -4.75 116.55 118.91 1j9j n ASP 213 Ca 0.02 -3.11 -0.27 0.00 -0.01 0.00 0.00 54.79 51.42 1j9j n ASP 213 Cb 0.51 -0.73 -0.01 0.00 -1.03 0.00 0.00 41.12 39.85 1j9j n ASP 213 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1j9j s VAL 214 N -2.40 4.97 0.14 2.12 -7.23 -1.26 -2.06 120.40 114.68 1j9j s VAL 214 Ca 0.41 0.05 -0.28 0.00 -1.81 0.00 0.00 61.98 60.36 1j9j s VAL 214 Cb 0.34 -3.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 1j9j s VAL 214 CO 0.09 -0.61 1.58 -2.24 -0.31 0.00 0.00 175.10 173.60 1j9j h ASP 215 N 0.84 -1.39 0.19 4.85 3.04 -1.60 -2.98 116.42 119.37 1j9j h ASP 215 Ca -0.48 0.20 -0.02 0.00 -3.24 0.00 0.00 57.03 53.49 1j9j h ASP 215 Cb 1.20 0.59 -0.00 0.00 -1.04 0.00 0.00 39.33 40.08 1j9j h ASP 215 CO 0.63 -0.39 -0.11 0.10 -2.04 0.00 0.00 179.24 177.42 1j9j h TYR 216 N -0.40 0.00 -0.21 4.15 -0.00 -1.96 -2.68 116.97 115.88 1j9j h TYR 216 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.70 1j9j h TYR 216 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.32 1j9j h TYR 216 CO -0.56 0.11 -0.46 0.87 -0.00 0.00 0.00 178.16 178.12 1j9j h LYS 217 N 0.00 0.53 0.01 0.10 1.57 -1.86 -1.30 116.57 115.61 1j9j h LYS 217 Ca -0.00 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1j9j h LYS 217 Cb 0.24 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1j9j h LYS 217 CO 0.01 0.88 -0.01 0.00 -0.57 0.00 0.00 179.45 179.77 1j9j h ALA 218 N 1.08 -0.02 -0.73 3.86 0.00 -1.45 -2.67 119.26 119.33 1j9j h ALA 218 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1j9j h ALA 218 Cb 0.97 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1j9j h ALA 218 CO 0.09 -0.36 0.43 0.28 0.00 0.00 0.00 179.25 179.69 1j9j h VAL 219 N -0.31 1.21 -0.08 0.00 2.07 -1.39 -0.28 116.25 117.47 1j9j h VAL 219 Ca -0.00 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1j9j h VAL 219 Cb 0.30 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1j9j h VAL 219 CO 0.00 0.22 -0.09 -0.09 0.02 0.00 0.00 177.57 177.63 1j9j h ARG 220 N 1.01 0.12 -0.04 1.57 9.65 -1.14 -1.66 114.38 123.88 1j9j h ARG 220 Ca 0.26 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 1j9j h ARG 220 Cb -0.03 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1j9j h ARG 220 CO -0.05 0.22 0.00 0.39 2.80 0.00 0.00 179.97 183.34 1j9j n GLU 221 N -4.36 1.61 -0.40 0.20 1.02 -0.67 -4.92 120.64 113.12 1j9j n GLU 221 Ca -0.02 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1j9j n GLU 221 Cb 0.21 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1j9j n GLU 221 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j9j n GLY 222 N 1.15 0.77 3.57 0.62 0.00 -0.62 -4.87 105.19 105.80 1j9j n GLY 222 Ca 0.19 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1j9j n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j9j s TYR 223 N -2.00 2.85 0.23 1.61 1.51 -0.20 -0.53 117.35 120.82 1j9j s TYR 223 Ca 0.00 -0.06 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 1j9j s TYR 223 Cb 0.00 -1.62 -0.09 0.00 -0.11 0.00 0.00 41.96 40.14 1j9j s TYR 223 CO 0.00 0.33 1.21 0.08 -1.11 0.00 0.00 175.55 176.06 1j9j s VAL 224 N -0.92 3.35 -0.23 0.71 1.01 0.09 -2.90 120.40 121.50 1j9j s VAL 224 Ca 0.15 1.21 -0.08 0.00 0.00 0.00 0.00 61.98 63.26 1j9j s VAL 224 Cb -0.11 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1j9j s VAL 224 CO 0.05 0.23 0.10 -0.55 0.00 0.00 0.00 175.10 174.93 1j9j s SER 225 N -0.18 5.57 -0.27 3.32 0.15 -0.50 -0.84 113.70 120.95 1j9j s SER 225 Ca 0.51 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 57.14 1j9j s SER 225 Cb -0.34 -1.99 0.07 0.00 -1.71 0.00 0.00 66.02 62.04 1j9j s SER 225 CO 0.41 0.04 -0.06 -0.63 1.20 0.00 0.00 173.24 174.20 1j9j s ILE 226 N 1.17 1.93 -0.16 6.45 1.01 -0.01 -1.52 121.20 130.06 1j9j s ILE 226 Ca 0.05 -1.60 -0.01 0.00 0.00 0.00 0.00 60.65 59.09 1j9j s ILE 226 Cb -0.14 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 1j9j s ILE 226 CO 0.04 -0.16 -0.10 -0.89 0.00 0.00 0.00 174.94 173.83 1j9j s THR 227 N 1.19 3.12 -0.18 2.92 2.01 -0.57 -0.77 115.64 123.35 1j9j s THR 227 Ca -0.04 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 1j9j s THR 227 Cb -0.19 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 1j9j s THR 227 CO -0.07 0.49 0.78 -2.16 -0.69 0.00 0.00 174.62 172.98 1j9j s PRO 228 N 0.80 4.27 0.11 4.92 0.04 -1.26 -0.21 135.00 143.67 1j9j s PRO 228 Ca -0.04 0.91 0.06 0.00 0.04 0.00 0.00 61.00 61.97 1j9j s PRO 228 Cb -0.15 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1j9j s PRO 228 CO 0.01 -0.32 -0.14 0.96 0.04 0.00 0.00 177.00 177.56 1j9j s ILE 229 N 2.13 1.27 0.11 0.56 -4.36 -0.33 -4.96 121.20 115.62 1j9j s ILE 229 Ca 0.36 -1.67 -0.01 0.00 -0.26 0.00 0.00 60.65 59.07 1j9j s ILE 229 Cb -0.16 -1.47 -0.04 0.00 1.25 0.00 0.00 42.46 42.04 1j9j s ILE 229 CO 0.12 -0.41 0.03 -1.38 0.24 0.00 0.00 174.94 173.53 1j9j s HIS 230 N -2.09 0.80 0.00 1.37 -3.43 -1.26 -1.04 115.29 109.64 1j9j s HIS 230 Ca 0.08 -1.18 -0.02 0.00 -0.80 0.00 0.00 55.06 53.13 1j9j s HIS 230 Cb -0.05 -0.47 -0.09 0.00 -1.43 0.00 0.00 32.58 30.54 1j9j s HIS 230 CO 0.03 -0.47 2.53 -0.35 -2.00 0.00 0.00 174.74 174.48 1j9j n PRO 231 N -0.05 1.33 -3.97 -0.38 -0.04 -1.26 -4.78 135.00 125.85 1j9j n PRO 231 Ca -0.08 -0.34 -0.30 0.00 -0.04 0.00 0.00 63.50 62.74 1j9j n PRO 231 Cb 0.63 -1.34 -0.16 0.00 -0.04 0.00 0.00 33.50 32.59 1j9j n PRO 231 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1j9j s PHE 232 N 0.36 2.43 -1.88 0.54 0.40 -1.26 -5.01 117.98 113.57 1j9j s PHE 232 Ca 0.23 -1.70 0.20 0.00 -0.60 0.00 0.00 56.93 55.06 1j9j s PHE 232 Cb 0.11 -1.62 0.49 0.00 0.51 0.00 0.00 43.02 42.51 1j9j s PHE 232 CO 0.00 -0.76 1.41 1.28 0.70 0.00 0.00 175.22 177.85 1j9j n LEU 233 N 4.67 3.53 -4.73 -0.37 4.77 -1.26 -5.01 117.00 118.59 1j9j n LEU 233 Ca -0.13 -1.81 -0.42 0.00 -0.03 0.00 0.00 56.01 53.62 1j9j n LEU 233 Cb 0.45 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1j9j n LEU 233 CO 0.19 0.84 1.27 -0.89 -1.33 0.00 0.00 177.39 177.47 1j9j s THR 234 N -1.13 2.23 -0.71 -5.08 2.01 -1.26 -4.92 115.64 106.78 1j9j s THR 234 Ca 0.39 0.18 -0.20 0.00 0.31 0.00 0.00 61.69 62.37 1j9j s THR 234 Cb 0.21 -3.12 0.10 0.00 0.01 0.00 0.00 72.50 69.71 1j9j s THR 234 CO 0.29 0.02 0.90 0.21 -0.69 0.00 0.00 174.62 175.35 1j9j s ASN 235 N 0.85 6.32 0.20 3.53 3.84 -1.26 -4.90 114.94 123.52 1j9j s ASN 235 Ca 0.68 -1.50 -0.10 0.00 0.21 0.00 0.00 52.86 52.15 1j9j s ASN 235 Cb -0.47 -2.36 0.20 0.00 -0.55 0.00 0.00 41.25 38.07 1j9j s ASN 235 CO 0.38 -1.19 1.82 -0.33 -2.79 0.00 0.00 177.10 174.99 1j9j h GLU 236 N 9.16 0.68 -0.65 0.43 4.39 -1.99 -1.23 114.58 125.37 1j9j h GLU 236 Ca -0.16 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1j9j h GLU 236 Cb 1.06 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1j9j h GLU 236 CO 1.11 0.45 0.33 1.96 -1.16 0.00 0.00 179.01 181.70 1j9j h GLN 237 N 0.70 0.92 -0.42 2.33 7.50 -2.00 -1.34 115.11 122.79 1j9j h GLN 237 Ca 0.28 -0.12 -0.08 0.00 0.50 0.00 0.00 58.65 59.22 1j9j h GLN 237 Cb 0.13 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 1j9j h GLN 237 CO -0.15 0.72 -0.05 0.00 -1.50 0.00 0.00 178.83 177.85 1j9j h LEU 239 N 0.61 0.82 -0.43 0.00 5.85 -0.93 -0.77 115.31 120.45 1j9j h LEU 239 Ca 0.11 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1j9j h LEU 239 Cb 0.56 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1j9j h LEU 239 CO 0.03 0.59 0.25 0.50 -0.34 0.00 0.00 178.44 179.47 1j9j h LYS 240 N 0.97 0.58 -0.31 1.25 3.64 -1.15 -1.46 116.57 120.09 1j9j h LYS 240 Ca 0.28 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1j9j h LYS 240 Cb -0.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1j9j h LYS 240 CO -0.07 0.43 0.17 -0.22 -2.27 0.00 0.00 179.45 177.49 1j9j h LYS 241 N 0.56 0.44 -0.70 1.90 3.64 -0.97 -2.08 116.57 119.36 1j9j h LYS 241 Ca 0.15 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1j9j h LYS 241 Cb 0.00 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1j9j h LYS 241 CO -0.03 0.38 0.45 -0.07 -2.27 0.00 0.00 179.45 177.91 1j9j h LEU 242 N 0.38 0.77 -1.28 5.20 3.38 -0.94 -1.98 115.31 120.84 1j9j h LEU 242 Ca 0.11 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1j9j h LEU 242 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1j9j h LEU 242 CO -0.02 0.55 -0.33 0.03 0.09 0.00 0.00 178.44 178.76 1j9j h ARG 243 N 0.91 0.04 -0.11 1.13 3.08 -1.09 0.26 114.38 118.60 1j9j h ARG 243 Ca 0.27 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 60.09 1j9j h ARG 243 Cb -0.06 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1j9j h ARG 243 CO -0.08 0.37 -0.77 0.93 -1.07 0.00 0.00 179.97 179.36 1j9j h GLU 244 N 0.04 0.61 0.09 0.04 5.08 -0.83 -2.94 114.58 116.67 1j9j h GLU 244 Ca 0.00 -0.51 -0.29 0.00 -1.00 0.00 0.00 59.36 57.57 1j9j h GLU 244 Cb 0.61 0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.99 1j9j h GLU 244 CO 0.04 1.13 -1.18 0.28 -1.00 0.00 0.00 179.01 178.28 1j9j h VAL 245 N 0.41 1.30 -2.37 3.13 2.07 -1.19 -3.35 116.25 116.26 1j9j h VAL 245 Ca -0.05 -2.45 -0.71 0.00 0.82 0.00 0.00 66.70 64.31 1j9j h VAL 245 Cb 1.37 2.62 -0.34 0.00 -1.52 0.00 0.00 31.29 33.42 1j9j h VAL 245 CO 0.15 0.75 0.24 -1.22 0.02 0.00 0.00 177.57 177.50 1j9j n TYR 246 N -3.78 3.20 1.12 1.57 4.02 0.07 -5.11 117.16 118.23 1j9j n TYR 246 Ca -0.12 -3.24 0.12 0.00 -0.01 0.00 0.00 57.90 54.66 1j9j n TYR 246 Cb 0.96 -0.90 0.20 0.00 -0.02 0.00 0.00 39.34 39.58 1j9j n TYR 246 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45