#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1e n ASP 5 N 0.00 0.61 -4.43 -3.46 10.43 -0.15 -4.94 116.55 114.61 1u1e n ASP 5 Ca 0.00 -0.03 -0.21 0.00 2.57 0.00 0.00 54.79 57.12 1u1e n ASP 5 Cb 0.00 0.26 -0.10 0.00 1.84 0.00 0.00 41.12 43.11 1u1e n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1u1e s VAL 6 N -3.11 1.51 0.06 2.53 -7.23 -1.24 -5.06 120.40 107.85 1u1e s VAL 6 Ca 0.08 -2.08 0.12 0.00 -1.81 0.00 0.00 61.98 58.29 1u1e s VAL 6 Cb 0.15 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1u1e s VAL 6 CO 0.72 -0.22 1.46 -0.26 -0.31 0.00 0.00 175.10 176.49 1u1e h PHE 7 N 2.24 0.00 0.00 2.82 0.05 -1.95 -3.41 116.94 116.69 1u1e h PHE 7 Ca -0.40 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.39 1u1e h PHE 7 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.18 1u1e h PHE 7 CO 0.65 0.67 -0.69 0.72 -0.18 0.00 0.00 178.31 179.48 1u1e n HIS 8 N -3.40 0.00 0.21 -0.55 8.25 -1.26 -4.85 115.22 113.62 1u1e n HIS 8 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1u1e n HIS 8 Cb 0.75 0.00 0.35 0.00 1.12 0.00 0.00 29.99 32.21 1u1e n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1e h LEU 9 N 0.00 0.00 0.22 2.41 3.38 -1.92 -3.44 115.31 115.95 1u1e h LEU 9 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1u1e h LEU 9 Cb 0.69 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.48 1u1e h LEU 9 CO 0.00 0.26 -0.34 0.61 0.09 0.00 0.00 178.44 179.06 1u1e n GLY 10 N 0.43 0.03 3.29 0.83 0.00 -1.26 -4.70 105.19 103.81 1u1e n GLY 10 Ca 0.01 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1u1e n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1e s LEU 11 N -3.94 2.31 0.33 0.99 1.43 -1.26 -4.84 118.68 113.70 1u1e s LEU 11 Ca 0.18 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 1u1e s LEU 11 Cb -0.08 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1u1e s LEU 11 CO 0.22 0.06 0.15 0.42 0.23 0.00 0.00 176.35 177.43 1u1e s THR 12 N -1.19 3.22 0.28 5.49 -4.23 -1.26 -0.97 115.64 116.98 1u1e s THR 12 Ca 0.07 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1u1e s THR 12 Cb -0.10 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 71.01 1u1e s THR 12 CO 0.04 -0.21 1.86 0.50 -0.54 0.00 0.00 174.62 176.27 1u1e h LYS 13 N 1.54 1.03 -0.34 3.99 1.63 -1.97 -2.30 116.57 120.16 1u1e h LYS 13 Ca -0.44 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.27 1u1e h LYS 13 Cb 1.25 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.63 1u1e h LYS 13 CO 0.62 0.68 0.11 -0.97 -3.45 0.00 0.00 179.45 176.44 1u1e h ASN 14 N 1.06 0.44 -0.61 4.20 -0.73 -1.96 -2.77 115.58 115.20 1u1e h ASN 14 Ca 0.47 -0.05 0.08 0.00 1.87 0.00 0.00 56.30 58.67 1u1e h ASN 14 Cb 0.37 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 38.81 1u1e h ASN 14 CO -0.23 0.43 0.41 0.44 -0.37 0.00 0.00 177.43 178.11 1u1e h ASP 15 N 0.48 0.45 1.88 1.15 3.45 -1.82 -2.39 116.42 119.62 1u1e h ASP 15 Ca 0.12 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.56 1u1e h ASP 15 Cb 0.15 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1u1e h ASP 15 CO -0.01 0.28 -0.12 -0.07 -1.57 0.00 0.00 179.24 177.75 1u1e h LEU 16 N 0.51 0.00 1.62 1.55 4.07 -1.57 -3.48 115.31 118.01 1u1e h LEU 16 Ca 0.28 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.87 1u1e h LEU 16 Cb 0.42 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1u1e h LEU 16 CO -0.08 0.12 -0.51 0.00 -1.08 0.00 0.00 178.44 176.89 1u1e n GLN 17 N -3.13 -3.33 -0.37 1.13 6.02 -0.90 -1.97 117.38 114.84 1u1e n GLN 17 Ca 0.04 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 1u1e n GLN 17 Cb 0.58 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.36 1u1e n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1e n GLY 18 N -1.18 0.80 3.77 1.08 0.00 -1.26 -4.83 105.19 103.58 1u1e n GLY 18 Ca -0.12 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1u1e n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1e s ALA 19 N -2.00 3.49 0.00 4.61 0.00 -0.83 -4.93 121.76 122.10 1u1e s ALA 19 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1u1e s ALA 19 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1u1e s ALA 19 CO 0.00 -0.77 0.29 0.25 0.00 0.00 0.00 175.76 175.53 1u1e n THR 20 N 0.63 0.00 -5.13 0.00 -2.24 -1.26 -4.17 114.28 102.10 1u1e n THR 20 Ca 0.01 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 1u1e n THR 20 Cb 0.41 1.25 -0.17 0.00 -2.10 0.00 0.00 70.33 69.72 1u1e n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1e s LEU 21 N -0.25 2.02 -0.04 3.22 0.20 -1.26 0.12 118.68 122.68 1u1e s LEU 21 Ca 0.00 -0.49 0.04 0.00 0.69 0.00 0.00 54.13 54.36 1u1e s LEU 21 Cb 0.00 -1.29 -0.00 0.00 -0.43 0.00 0.00 46.19 44.47 1u1e s LEU 21 CO 0.00 0.18 -0.15 0.00 -0.29 0.00 0.00 176.35 176.09 1u1e s ALA 22 N 0.15 1.38 -0.22 5.97 0.00 -0.06 -1.54 121.76 127.45 1u1e s ALA 22 Ca -0.11 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 1u1e s ALA 22 Cb -0.15 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1u1e s ALA 22 CO 0.06 0.24 0.36 0.42 0.00 0.00 0.00 175.76 176.84 1u1e s ILE 23 N 0.09 5.22 -0.55 0.00 1.01 0.44 -0.97 121.20 126.43 1u1e s ILE 23 Ca -0.04 0.62 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1u1e s ILE 23 Cb -0.11 -3.69 0.14 0.00 0.01 0.00 0.00 42.46 38.81 1u1e s ILE 23 CO 0.02 0.25 0.31 0.68 0.00 0.00 0.00 174.94 176.20 1u1e s VAL 24 N 1.39 2.51 0.76 2.92 -7.23 0.36 -1.58 120.40 119.54 1u1e s VAL 24 Ca 0.17 -3.46 -0.11 0.00 -1.81 0.00 0.00 61.98 56.76 1u1e s VAL 24 Cb -0.15 -2.72 0.05 0.00 0.56 0.00 0.00 36.38 34.12 1u1e s VAL 24 CO 0.08 -0.86 1.10 -2.16 -0.31 0.00 0.00 175.10 172.94 1u1e s PRO 25 N -0.50 2.36 0.02 4.82 0.04 -1.23 -3.67 135.00 136.84 1u1e s PRO 25 Ca 0.19 0.57 -0.15 0.00 0.04 0.00 0.00 61.00 61.65 1u1e s PRO 25 Cb -0.20 -1.96 -0.35 0.00 0.04 0.00 0.00 34.50 32.03 1u1e s PRO 25 CO -0.04 -1.41 0.95 0.78 0.04 0.00 0.00 177.00 177.32 1u1e h GLY 26 N -0.93 0.59 -5.84 0.56 0.00 -1.82 -0.61 103.07 95.03 1u1e h GLY 26 Ca -0.46 -1.51 -0.60 0.00 0.00 0.00 0.00 47.33 44.76 1u1e h GLY 26 CO 0.61 1.32 0.40 -0.35 0.00 0.00 0.00 176.54 178.52 1u1e s ASP 27 N -7.53 6.80 0.57 0.19 -1.08 -1.26 -1.26 116.67 113.10 1u1e s ASP 27 Ca -0.10 0.99 0.26 0.00 -0.52 0.00 0.00 52.55 53.18 1u1e s ASP 27 Cb 0.04 -2.42 1.56 0.00 -1.46 0.00 0.00 42.92 40.65 1u1e s ASP 27 CO 0.93 -0.47 2.12 1.55 0.52 0.00 0.00 175.17 179.83 1u1e h PRO 28 N 7.66 0.00 0.00 4.34 0.13 -1.88 -1.62 132.00 140.63 1u1e h PRO 28 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1u1e h PRO 28 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1u1e h PRO 28 CO 0.85 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.18 1u1e h ASP 29 N 0.00 0.00 1.63 1.44 3.45 -1.96 -3.03 116.42 117.95 1u1e h ASP 29 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 1u1e h ASP 29 Cb 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1u1e h ASP 29 CO -0.00 0.00 -0.23 -0.09 -1.57 0.00 0.00 179.24 177.35 1u1e h ARG 30 N 0.00 0.00 -0.21 3.56 2.43 -1.70 -3.38 114.38 115.08 1u1e h ARG 30 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1u1e h ARG 30 Cb 0.53 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1u1e h ARG 30 CO 0.00 0.00 0.10 0.28 -1.51 0.00 0.00 179.97 178.84 1u1e h VAL 31 N 0.00 1.00 -0.76 0.20 2.07 -1.62 -1.82 116.25 115.32 1u1e h VAL 31 Ca 0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1u1e h VAL 31 Cb 0.93 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1u1e h VAL 31 CO 0.00 0.04 0.34 -0.08 0.02 0.00 0.00 177.57 177.89 1u1e h GLU 32 N 0.22 1.10 -0.87 1.57 4.81 -1.79 -1.91 114.58 117.72 1u1e h GLU 32 Ca 0.08 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1u1e h GLU 32 Cb 0.02 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 1u1e h GLU 32 CO -0.05 0.87 0.44 0.87 -0.73 0.00 0.00 179.01 180.40 1u1e h LYS 33 N 1.09 1.24 -0.05 1.92 1.57 -1.62 -0.89 116.57 119.83 1u1e h LYS 33 Ca 0.26 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1u1e h LYS 33 Cb 0.15 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1u1e h LYS 33 CO -0.03 0.93 -0.26 0.82 -0.57 0.00 0.00 179.45 180.34 1u1e h ILE 34 N 1.23 1.46 -0.75 1.86 2.04 -1.20 -3.26 117.51 118.88 1u1e h ILE 34 Ca 0.30 -1.73 0.07 0.00 1.00 0.00 0.00 64.86 64.50 1u1e h ILE 34 Cb 0.09 2.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 1u1e h ILE 34 CO -0.04 0.49 0.49 0.00 0.00 0.00 0.00 178.15 179.09 1u1e h ALA 35 N 0.39 1.68 0.00 1.87 0.00 -1.25 -2.58 119.26 119.38 1u1e h ALA 35 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1u1e h ALA 35 Cb 0.93 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1u1e h ALA 35 CO 0.05 0.19 -0.09 0.00 0.00 0.00 0.00 179.25 179.41 1u1e h ALA 36 N 1.59 1.14 0.00 0.00 0.00 -1.20 -1.94 119.26 118.85 1u1e h ALA 36 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1u1e h ALA 36 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1u1e h ALA 36 CO -0.11 0.11 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 1u1e h LEU 37 N 0.00 0.00-10.48 0.00 4.07 -1.54 -3.46 115.31 103.90 1u1e h LEU 37 Ca -0.00 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.46 1u1e h LEU 37 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1u1e h LEU 37 CO 0.01 0.00 -0.21 -0.04 -1.08 0.00 0.00 178.44 177.13 1u1e s MET 38 N -3.33 2.39 0.35 1.13 -1.94 -0.73 -5.11 119.30 112.06 1u1e s MET 38 Ca 0.06 -1.67 -0.18 0.00 -1.71 0.00 0.00 55.69 52.19 1u1e s MET 38 Cb 0.09 -2.49 -0.10 0.00 2.01 0.00 0.00 34.83 34.34 1u1e s MET 38 CO 0.56 -0.64 0.82 -0.51 -0.01 0.00 0.00 175.02 175.24 1u1e s ASP 39 N -4.46 6.88 -1.38 3.03 1.01 -0.13 -4.40 116.67 117.22 1u1e s ASP 39 Ca 0.52 1.46 -0.03 0.00 0.71 0.00 0.00 52.55 55.21 1u1e s ASP 39 Cb -0.05 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1u1e s ASP 39 CO 0.32 -0.24 0.44 0.29 0.21 0.00 0.00 175.17 176.20 1u1e n LYS 40 N -0.34 -2.97 -2.21 8.23 5.02 -1.26 0.39 118.16 125.02 1u1e n LYS 40 Ca 0.04 0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 56.30 1u1e n LYS 40 Cb 0.53 -4.42 -0.03 0.00 -0.02 0.00 0.00 35.03 31.09 1u1e n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1e s PRO 41 N -6.54 4.34 -0.02 1.97 0.04 -1.26 -4.47 135.00 129.05 1u1e s PRO 41 Ca 0.05 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.12 1u1e s PRO 41 Cb -0.02 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.26 1u1e s PRO 41 CO 0.89 -0.42 -0.02 0.08 0.04 0.00 0.00 177.00 177.58 1u1e s VAL 42 N 1.17 0.26 0.28 -0.36 1.01 0.94 -5.00 120.40 118.69 1u1e s VAL 42 Ca 0.64 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 1u1e s VAL 42 Cb -0.35 -0.31 -0.10 0.00 0.00 0.00 0.00 36.38 35.62 1u1e s VAL 42 CO 0.30 0.14 1.28 -0.75 0.00 0.00 0.00 175.10 176.07 1u1e s LYS 43 N 0.67 4.41 -0.12 2.72 2.47 -1.26 -0.05 119.74 128.58 1u1e s LYS 43 Ca -0.07 2.11 -0.09 0.00 -1.56 0.00 0.00 55.97 56.36 1u1e s LYS 43 Cb -0.10 -3.13 -0.05 0.00 -1.46 0.00 0.00 37.83 33.09 1u1e s LYS 43 CO -0.01 -0.16 -0.20 1.28 0.16 0.00 0.00 175.35 176.42 1u1e n LEU 44 N 1.50 1.32 -3.50 5.43 4.77 0.01 -4.84 117.00 121.70 1u1e n LEU 44 Ca 0.02 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 1u1e n LEU 44 Cb 0.42 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1u1e n LEU 44 CO 0.58 -0.03 0.38 0.00 -1.33 0.00 0.00 177.39 176.99 1u1e s ALA 45 N -2.39 -1.47 -0.20 -1.18 0.00 -1.00 -5.01 121.76 110.51 1u1e s ALA 45 Ca -0.20 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 1u1e s ALA 45 Cb 0.06 0.87 0.10 0.00 0.00 0.00 0.00 23.12 24.15 1u1e s ALA 45 CO 0.26 -0.79 0.29 0.45 0.00 0.00 0.00 175.76 175.98 1u1e s SER 46 N -2.78 0.68 -0.03 0.00 0.15 -1.26 -0.37 113.70 110.09 1u1e s SER 46 Ca 0.03 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.84 1u1e s SER 46 Cb -0.01 0.75 0.03 0.00 -1.71 0.00 0.00 66.02 65.08 1u1e s SER 46 CO -0.10 -0.29 0.04 -1.00 1.20 0.00 0.00 173.24 173.08 1u1e s HIS 47 N 2.44 0.11 0.00 3.44 3.76 -0.59 -5.00 115.29 119.44 1u1e s HIS 47 Ca 0.07 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1u1e s HIS 47 Cb -0.15 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.16 1u1e s HIS 47 CO -0.13 -0.15 0.00 0.54 -0.85 0.00 0.00 174.74 174.16 1u1e n ARG 48 N 4.67 0.00 -0.03 1.40 1.74 -1.26 -1.15 116.66 122.02 1u1e n ARG 48 Ca -0.17 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.00 1u1e n ARG 48 Cb 0.50 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 32.39 1u1e n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1e n GLU 49 N 14.00 1.29 -3.37 5.56 0.00 -1.26 -4.71 120.64 132.15 1u1e n GLU 49 Ca 0.00 -0.43 -0.45 0.00 0.00 0.00 0.00 57.16 56.28 1u1e n GLU 49 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 31.44 30.08 1u1e n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1e s PHE 50 N -1.91 3.41 -0.21 -1.84 0.40 -0.30 -4.05 117.98 113.48 1u1e s PHE 50 Ca 0.28 -1.60 -0.08 0.00 -0.60 0.00 0.00 56.93 54.92 1u1e s PHE 50 Cb 0.14 -3.74 -0.04 0.00 0.51 0.00 0.00 43.02 39.89 1u1e s PHE 50 CO 0.22 -1.00 0.09 0.99 0.70 0.00 0.00 175.22 176.22 1u1e s THR 51 N 1.15 4.88 -0.09 0.64 2.01 -1.26 -1.55 115.64 121.43 1u1e s THR 51 Ca 0.08 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.12 1u1e s THR 51 Cb -0.24 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 1u1e s THR 51 CO -0.01 0.41 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.22 1u1e s THR 52 N 0.77 2.30 0.14 -0.82 2.01 0.50 -1.71 115.64 118.83 1u1e s THR 52 Ca 0.05 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.19 1u1e s THR 52 Cb -0.13 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1u1e s THR 52 CO 0.02 0.56 -0.21 0.26 -0.69 0.00 0.00 174.62 174.56 1u1e s TRP 53 N 0.18 1.91 -0.02 4.92 0.52 0.53 -0.81 118.94 126.18 1u1e s TRP 53 Ca -0.13 -0.43 0.06 0.00 0.02 0.00 0.00 56.10 55.63 1u1e s TRP 53 Cb -0.16 -1.00 -0.02 0.00 -1.15 0.00 0.00 33.47 31.13 1u1e s TRP 53 CO 0.07 0.30 -0.21 0.50 0.02 0.00 0.00 176.95 177.63 1u1e s ARG 54 N -2.34 2.22 0.19 4.98 3.52 0.93 -0.67 118.95 127.78 1u1e s ARG 54 Ca 0.12 -0.87 0.03 0.00 -0.13 0.00 0.00 55.73 54.89 1u1e s ARG 54 Cb -0.08 -2.18 -0.01 0.00 -1.56 0.00 0.00 34.95 31.12 1u1e s ARG 54 CO 0.06 0.58 0.18 0.00 -0.81 0.00 0.00 175.30 175.31 1u1e n ALA 55 N 2.19 0.29 -3.68 6.12 0.00 0.30 -0.04 120.51 125.69 1u1e n ALA 55 Ca -0.17 -1.07 -0.24 0.00 0.00 0.00 0.00 53.44 51.96 1u1e n ALA 55 Cb 0.52 0.87 -0.17 0.00 0.00 0.00 0.00 19.45 20.67 1u1e n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1u1e s GLU 56 N -2.71 1.30 -0.22 0.00 2.12 0.16 -0.31 118.70 119.05 1u1e s GLU 56 Ca 0.21 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.34 1u1e s GLU 56 Cb 0.01 -1.27 0.04 0.00 0.26 0.00 0.00 34.13 33.17 1u1e s GLU 56 CO 0.15 -0.13 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.43 1u1e s LEU 57 N 1.21 2.79 -1.46 2.70 2.96 0.84 -0.95 118.68 126.76 1u1e s LEU 57 Ca -0.05 -1.05 -0.08 0.00 -0.22 0.00 0.00 54.13 52.73 1u1e s LEU 57 Cb -0.14 -1.48 0.05 0.00 0.50 0.00 0.00 46.19 45.13 1u1e s LEU 57 CO -0.02 -0.11 0.79 0.47 -1.32 0.00 0.00 176.35 176.16 1u1e n ASP 58 N 4.54 -2.83 0.00 3.68 10.43 -1.26 -1.59 116.55 129.52 1u1e n ASP 58 Ca -0.17 -0.85 0.00 0.00 2.57 0.00 0.00 54.79 56.34 1u1e n ASP 58 Cb 0.46 -3.71 0.00 0.00 1.84 0.00 0.00 41.12 39.71 1u1e n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1e n GLY 59 N -1.67 0.95 3.47 0.44 0.00 -1.26 -5.02 105.19 102.09 1u1e n GLY 59 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1u1e n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1e s LYS 60 N -0.03 3.29 0.21 1.61 3.01 -0.62 -5.08 119.74 122.13 1u1e s LYS 60 Ca 0.00 -0.60 -0.30 0.00 -1.01 0.00 0.00 55.97 54.06 1u1e s LYS 60 Cb 0.00 -2.70 -0.10 0.00 -1.01 0.00 0.00 37.83 34.02 1u1e s LYS 60 CO 0.00 0.35 1.43 -1.25 0.51 0.00 0.00 175.35 176.39 1u1e s PRO 61 N 0.03 4.28 0.02 -1.68 0.04 -1.26 -0.12 135.00 136.33 1u1e s PRO 61 Ca -0.02 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.31 1u1e s PRO 61 Cb -0.14 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1u1e s PRO 61 CO 0.03 -0.43 -0.13 0.08 0.04 0.00 0.00 177.00 176.60 1u1e s VAL 62 N 0.33 1.01 -0.12 -0.36 1.01 0.58 -4.42 120.40 118.43 1u1e s VAL 62 Ca 0.61 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1u1e s VAL 62 Cb -0.41 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1u1e s VAL 62 CO 0.39 0.06 0.06 -0.63 0.00 0.00 0.00 175.10 174.97 1u1e s ILE 63 N -0.70 4.79 -0.13 2.22 -1.09 -0.59 -0.54 121.20 125.15 1u1e s ILE 63 Ca 0.02 -0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.39 1u1e s ILE 63 Cb -0.07 -3.07 -0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1u1e s ILE 63 CO 0.01 0.58 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.43 1u1e s VAL 64 N -0.66 2.52 -0.11 2.92 1.01 0.16 -0.42 120.40 125.82 1u1e s VAL 64 Ca 0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1u1e s VAL 64 Cb -0.12 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.28 1u1e s VAL 64 CO 0.02 0.53 0.24 0.00 0.00 0.00 0.00 175.10 175.90 1u1e s SER 66 N 1.82 7.34 -0.01 0.00 1.04 -0.69 -3.57 113.70 119.62 1u1e s SER 66 Ca -0.04 1.94 0.22 0.00 0.48 0.00 0.00 55.95 58.55 1u1e s SER 66 Cb -0.11 -2.59 -0.28 0.00 0.10 0.00 0.00 66.02 63.13 1u1e s SER 66 CO -0.08 -0.07 0.53 0.35 0.98 0.00 0.00 173.24 174.95 1u1e n THR 67 N 0.79 0.24 -0.17 2.02 -2.24 -0.23 -4.32 114.28 110.36 1u1e n THR 67 Ca 0.01 -0.54 0.02 0.00 -2.27 0.00 0.00 64.05 61.26 1u1e n THR 67 Cb 0.49 -0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1u1e n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1e n GLY 68 N 1.29 -2.23 3.70 3.38 0.00 -0.39 -3.46 105.19 107.49 1u1e n GLY 68 Ca -0.06 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1u1e n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1e s ILE 69 N -1.10 4.87 0.00 -0.61 1.01 -1.26 -4.62 121.20 119.50 1u1e s ILE 69 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.63 1u1e s ILE 69 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1u1e s ILE 69 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1u1e n GLY 70 N 2.98 2.26 0.26 6.18 0.00 -1.25 -4.67 105.19 110.95 1u1e n GLY 70 Ca 0.06 -1.84 0.02 0.00 0.00 0.00 0.00 46.02 44.26 1u1e n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1e h GLY 71 N 0.00 1.03 0.56 -0.02 0.00 -1.86 -2.38 103.07 100.40 1u1e h GLY 71 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.17 1u1e h GLY 71 CO 0.00 0.02 -0.13 -2.55 0.00 0.00 0.00 176.54 173.89 1u1e h PRO 72 N 0.54 -0.16 -0.03 4.80 0.11 -1.94 0.43 132.00 135.75 1u1e h PRO 72 Ca 0.35 0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.32 1u1e h PRO 72 Cb 0.40 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1u1e h PRO 72 CO -0.29 -0.11 -0.68 0.66 -0.21 0.00 0.00 178.00 177.37 1u1e h SER 73 N -0.17 0.17 -0.36 -2.05 4.64 -1.80 -2.82 113.55 111.16 1u1e h SER 73 Ca 0.08 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1u1e h SER 73 Cb 0.28 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1u1e h SER 73 CO -0.20 0.80 0.19 0.74 -0.87 0.00 0.00 176.83 177.49 1u1e h THR 74 N 0.10 1.01 -0.84 2.95 2.02 -1.08 -1.64 112.91 115.43 1u1e h THR 74 Ca -0.01 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1u1e h THR 74 Cb 1.21 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 1u1e h THR 74 CO 0.10 0.07 0.56 0.77 0.37 0.00 0.00 175.52 177.39 1u1e h SER 75 N 0.40 0.94 0.13 4.18 4.64 -0.00 0.80 113.55 124.64 1u1e h SER 75 Ca 0.15 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1u1e h SER 75 Cb 0.03 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1u1e h SER 75 CO -0.09 0.66 -0.06 0.40 -0.87 0.00 0.00 176.83 176.87 1u1e h ILE 76 N 1.10 0.99 -0.51 0.95 2.04 -1.29 -2.00 117.51 118.79 1u1e h ILE 76 Ca 0.32 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1u1e h ILE 76 Cb -0.06 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1u1e h ILE 76 CO -0.08 0.13 0.33 0.00 0.00 0.00 0.00 178.15 178.52 1u1e h ALA 77 N 0.39 0.65 -0.36 1.87 0.00 -0.82 -1.70 119.26 119.29 1u1e h ALA 77 Ca -0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1u1e h ALA 77 Cb 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u1e h ALA 77 CO 0.03 0.06 -0.18 0.28 0.00 0.00 0.00 179.25 179.44 1u1e h VAL 78 N 0.66 1.29 -0.38 0.00 2.07 -0.91 -1.76 116.25 117.22 1u1e h VAL 78 Ca 0.19 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1u1e h VAL 78 Cb -0.04 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1u1e h VAL 78 CO -0.06 0.43 0.19 -0.08 0.02 0.00 0.00 177.57 178.07 1u1e h GLU 79 N 0.54 0.53 -0.10 1.57 4.57 -1.21 -0.79 114.58 119.69 1u1e h GLU 79 Ca 0.08 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 58.01 1u1e h GLU 79 Cb 0.72 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1u1e h GLU 79 CO 0.05 0.45 -0.68 0.93 -1.18 0.00 0.00 179.01 178.58 1u1e h GLU 80 N 0.47 0.43 -0.71 1.92 5.08 -1.31 -1.35 114.58 119.11 1u1e h GLU 80 Ca 0.13 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1u1e h GLU 80 Cb 0.09 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1u1e h GLU 80 CO -0.02 0.95 0.19 -0.07 -1.00 0.00 0.00 179.01 179.07 1u1e h LEU 81 N 0.30 1.07 -0.73 1.33 3.38 -1.25 -2.16 115.31 117.25 1u1e h LEU 81 Ca -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1u1e h LEU 81 Cb 1.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1u1e h LEU 81 CO 0.12 1.01 0.44 0.00 0.09 0.00 0.00 178.44 180.10 1u1e h ALA 82 N 1.10 0.93 -0.43 1.53 0.00 -0.95 -1.03 119.26 120.40 1u1e h ALA 82 Ca 0.23 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1u1e h ALA 82 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1u1e h ALA 82 CO -0.00 0.41 0.29 1.96 0.00 0.00 0.00 179.25 181.90 1u1e h GLN 83 N 1.00 0.46 -0.00 0.00 4.20 -0.99 -2.12 115.11 117.65 1u1e h GLN 83 Ca 0.26 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1u1e h GLN 83 Cb -0.03 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1u1e h GLN 83 CO -0.05 0.30 -0.20 1.28 -0.67 0.00 0.00 178.83 179.50 1u1e n LEU 84 N -4.48 0.40 0.00 1.46 4.77 -0.81 -4.92 117.00 113.42 1u1e n LEU 84 Ca 0.04 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1u1e n LEU 84 Cb 0.15 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1u1e n LEU 84 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1u1e n GLY 85 N 1.39 0.99 3.72 -0.72 0.00 -0.80 -4.82 105.19 104.95 1u1e n GLY 85 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1u1e n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1e s ILE 86 N -1.94 3.67 -0.02 -0.61 -1.09 -0.46 -4.40 121.20 116.36 1u1e s ILE 86 Ca 0.00 1.22 0.04 0.00 -2.23 0.00 0.00 60.65 59.69 1u1e s ILE 86 Cb 0.00 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 37.03 1u1e s ILE 86 CO 0.00 0.11 0.07 0.54 -1.23 0.00 0.00 174.94 174.43 1u1e n ARG 87 N 3.71 1.15 -4.96 2.79 5.12 0.12 -4.23 116.66 120.35 1u1e n ARG 87 Ca 0.09 -0.03 -0.32 0.00 -1.93 0.00 0.00 57.85 55.66 1u1e n ARG 87 Cb 0.44 -1.10 -0.17 0.00 -1.16 0.00 0.00 32.46 30.47 1u1e n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1e s THR 88 N -2.24 2.10 -0.16 0.55 2.01 -0.07 -1.27 115.64 116.56 1u1e s THR 88 Ca -0.02 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1u1e s THR 88 Cb 0.02 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.74 1u1e s THR 88 CO 0.18 0.55 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.13 1u1e s PHE 89 N 0.55 2.46 -0.28 4.92 0.40 0.11 -0.88 117.98 125.26 1u1e s PHE 89 Ca -0.13 -1.42 -0.01 0.00 -0.60 0.00 0.00 56.93 54.76 1u1e s PHE 89 Cb -0.17 -1.75 0.04 0.00 0.51 0.00 0.00 43.02 41.66 1u1e s PHE 89 CO 0.04 -0.73 -0.03 -0.51 0.70 0.00 0.00 175.22 174.68 1u1e s LEU 90 N 1.39 3.63 -0.15 -0.37 1.43 -0.14 -0.96 118.68 123.51 1u1e s LEU 90 Ca 0.05 -1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 51.76 1u1e s LEU 90 Cb -0.13 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1u1e s LEU 90 CO -0.12 -0.21 0.63 -0.60 0.23 0.00 0.00 176.35 176.28 1u1e s ARG 91 N 1.26 4.30 -0.18 1.70 3.52 -0.32 -0.49 118.95 128.74 1u1e s ARG 91 Ca -0.04 0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 56.21 1u1e s ARG 91 Cb -0.19 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1u1e s ARG 91 CO -0.03 -0.09 -0.05 -1.50 -0.81 0.00 0.00 175.30 172.83 1u1e s ILE 92 N 1.38 3.54 0.33 4.11 1.10 -1.24 -1.39 121.20 129.04 1u1e s ILE 92 Ca 0.31 -0.46 0.06 0.00 -0.51 0.00 0.00 60.65 60.05 1u1e s ILE 92 Cb -0.16 -2.57 -0.03 0.00 0.15 0.00 0.00 42.46 39.85 1u1e s ILE 92 CO 0.13 0.46 0.30 -0.83 -2.11 0.00 0.00 174.94 172.89 1u1e s GLY 93 N 0.89 2.20 0.20 1.50 0.00 -0.65 -4.08 107.32 107.38 1u1e s GLY 93 Ca -0.01 -1.99 0.07 0.00 0.00 0.00 0.00 44.72 42.79 1u1e s GLY 93 CO 0.01 -1.40 0.10 -0.51 0.00 0.00 0.00 173.10 171.30 1u1e s THR 94 N -3.40 4.16 0.08 0.90 -4.23 -1.26 -2.35 115.64 109.54 1u1e s THR 94 Ca 0.39 -1.34 -0.21 0.00 -1.18 0.00 0.00 61.69 59.35 1u1e s THR 94 Cb 0.02 -3.16 0.05 0.00 1.34 0.00 0.00 72.50 70.75 1u1e s THR 94 CO 0.26 -0.20 0.50 0.28 -0.54 0.00 0.00 174.62 174.93 1u1e s THR 95 N -1.90 0.03 -0.23 3.99 -1.32 -1.11 -4.82 115.64 110.29 1u1e s THR 95 Ca 0.30 -0.28 -0.05 0.00 -1.21 0.00 0.00 61.69 60.46 1u1e s THR 95 Cb -0.09 -1.02 -0.01 0.00 -1.51 0.00 0.00 72.50 69.87 1u1e s THR 95 CO 0.22 -0.16 -0.01 -0.83 -2.21 0.00 0.00 174.62 171.63 1u1e s GLY 96 N -2.30 1.65 0.37 6.08 0.00 -1.15 -2.47 107.32 109.50 1u1e s GLY 96 Ca -0.02 -1.18 -0.24 0.00 0.00 0.00 0.00 44.72 43.28 1u1e s GLY 96 CO -0.06 0.46 0.99 0.00 0.00 0.00 0.00 173.10 174.49 1u1e s ALA 97 N 1.51 3.13 -0.37 3.20 0.00 0.88 -1.37 121.76 128.74 1u1e s ALA 97 Ca 0.06 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1u1e s ALA 97 Cb -0.15 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1u1e s ALA 97 CO -0.02 -0.01 0.45 0.44 0.00 0.00 0.00 175.76 176.63 1u1e n ILE 98 N 0.12 0.00 -3.50 0.00 -5.35 0.40 -0.61 119.36 110.42 1u1e n ILE 98 Ca 0.04 -0.47 -0.38 0.00 -0.27 0.00 0.00 62.75 61.67 1u1e n ILE 98 Cb 0.50 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.39 1u1e n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1e s GLN 99 N -0.68 4.04 0.49 6.28 -1.52 -1.22 -4.80 119.66 122.25 1u1e s GLN 99 Ca 0.03 0.32 0.16 0.00 -1.95 0.00 0.00 55.36 53.93 1u1e s GLN 99 Cb 0.03 -3.30 1.19 0.00 -0.22 0.00 0.00 33.01 30.71 1u1e s GLN 99 CO 0.08 0.51 2.09 -1.35 -0.25 0.00 0.00 175.29 176.37 1u1e h PRO 100 N 5.50 0.00 0.00 2.91 0.11 -1.96 -2.90 132.00 135.66 1u1e h PRO 100 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u1e h PRO 100 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u1e h PRO 100 CO 0.67 0.07 -0.05 -2.39 -0.21 0.00 0.00 178.00 176.09 1u1e n HIS 101 N -4.42 0.46 -3.11 0.65 1.44 -1.26 -4.78 115.22 104.20 1u1e n HIS 101 Ca -0.03 0.13 -0.40 0.00 -2.01 0.00 0.00 57.72 55.42 1u1e n HIS 101 Cb 0.15 -0.70 -0.05 0.00 0.12 0.00 0.00 29.99 29.51 1u1e n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1e s ILE 102 N -3.05 5.06 0.33 0.61 1.01 -1.10 -5.07 121.20 118.99 1u1e s ILE 102 Ca 0.12 1.29 -0.03 0.00 0.00 0.00 0.00 60.65 62.03 1u1e s ILE 102 Cb 0.16 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1u1e s ILE 102 CO 0.58 0.21 0.58 0.20 0.00 0.00 0.00 174.94 176.51 1u1e s ASN 103 N 0.89 6.37 0.21 3.58 0.02 -1.26 -4.91 114.94 119.84 1u1e s ASN 103 Ca 0.33 0.64 -0.31 0.00 -1.02 0.00 0.00 52.86 52.50 1u1e s ASN 103 Cb -0.17 -2.11 -0.10 0.00 0.02 0.00 0.00 41.25 38.89 1u1e s ASN 103 CO 0.14 -0.27 1.50 -0.69 0.02 0.00 0.00 177.10 177.79 1u1e s VAL 104 N -2.24 2.65 0.00 1.60 1.01 -1.26 -2.21 120.40 119.94 1u1e s VAL 104 Ca 0.43 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1u1e s VAL 104 Cb -0.10 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1u1e s VAL 104 CO 0.34 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1u1e n GLY 105 N 2.88 0.96 3.79 4.51 0.00 0.93 -5.02 105.19 113.23 1u1e n GLY 105 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1u1e n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1e s ASP 106 N -1.96 5.61 -0.09 1.61 1.11 -0.94 -4.72 116.67 117.29 1u1e s ASP 106 Ca 0.00 1.94 -0.00 0.00 0.18 0.00 0.00 52.55 54.67 1u1e s ASP 106 Cb 0.00 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 1u1e s ASP 106 CO 0.00 -1.29 -0.07 0.54 1.18 0.00 0.00 175.17 175.53 1u1e s VAL 107 N -2.27 3.69 -0.11 -1.27 0.11 -0.05 -0.34 120.40 120.16 1u1e s VAL 107 Ca 0.66 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 1u1e s VAL 107 Cb -0.19 -2.53 -0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1u1e s VAL 107 CO 0.35 0.57 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.75 1u1e s LEU 108 N -0.51 2.39 -0.20 2.54 1.43 0.81 -1.46 118.68 123.67 1u1e s LEU 108 Ca 0.08 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1u1e s LEU 108 Cb -0.12 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1u1e s LEU 108 CO 0.02 0.18 0.00 -0.69 0.23 0.00 0.00 176.35 176.09 1u1e s VAL 109 N 0.25 3.93 -0.28 -1.59 1.01 -0.17 -1.30 120.40 122.25 1u1e s VAL 109 Ca -0.13 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 1u1e s VAL 109 Cb -0.16 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1u1e s VAL 109 CO 0.07 0.42 0.62 -0.89 0.00 0.00 0.00 175.10 175.32 1u1e s THR 110 N 1.07 4.97 0.04 3.92 2.01 -0.60 -2.14 115.64 124.91 1u1e s THR 110 Ca 0.02 0.97 -0.16 0.00 0.31 0.00 0.00 61.69 62.83 1u1e s THR 110 Cb -0.14 -3.95 -0.25 0.00 0.01 0.00 0.00 72.50 68.16 1u1e s THR 110 CO 0.01 -0.05 1.12 0.71 -0.69 0.00 0.00 174.62 175.73 1u1e h THR 111 N 5.48 1.34 -2.60 -0.82 1.35 -1.58 -3.41 112.91 112.67 1u1e h THR 111 Ca -0.27 -2.27 0.09 0.00 -0.55 0.00 0.00 66.41 63.41 1u1e h THR 111 Cb 1.12 2.58 -0.11 0.00 -1.73 0.00 0.00 68.15 70.01 1u1e h THR 111 CO 0.78 0.68 0.37 0.00 -0.25 0.00 0.00 175.52 177.11 1u1e s ALA 112 N -3.14 -1.63 0.06 6.62 0.00 -1.26 -0.66 121.76 121.76 1u1e s ALA 112 Ca -0.11 0.44 0.09 0.00 0.00 0.00 0.00 51.96 52.38 1u1e s ALA 112 Cb 0.05 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 1u1e s ALA 112 CO 0.89 -0.85 -0.24 -1.12 0.00 0.00 0.00 175.76 174.43 1u1e s SER 113 N -2.74 2.92 -0.05 0.00 0.01 -0.18 -1.87 113.70 111.80 1u1e s SER 113 Ca 0.07 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 1u1e s SER 113 Cb -0.02 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1u1e s SER 113 CO -0.05 0.21 1.29 -0.69 0.41 0.00 0.00 173.24 174.41 1u1e s VAL 114 N -0.85 4.05 -1.06 3.43 1.01 0.14 -4.33 120.40 122.79 1u1e s VAL 114 Ca 0.10 1.38 -0.18 0.00 0.00 0.00 0.00 61.98 63.28 1u1e s VAL 114 Cb -0.10 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 32.51 1u1e s VAL 114 CO 0.03 -0.02 1.34 -0.13 0.00 0.00 0.00 175.10 176.32 1u1e s ARG 115 N 2.49 3.76 -0.49 2.72 0.52 -1.26 -1.44 118.95 125.24 1u1e s ARG 115 Ca 0.59 -1.83 0.03 0.00 -0.52 0.00 0.00 55.73 53.99 1u1e s ARG 115 Cb -0.27 -5.12 0.58 0.00 0.52 0.00 0.00 34.95 30.65 1u1e s ARG 115 CO 0.23 -1.93 1.87 1.28 0.02 0.00 0.00 175.30 176.78 1u1e n LEU 116 N 7.08 6.66 -4.56 2.53 4.77 -0.34 -4.96 117.00 128.18 1u1e n LEU 116 Ca 0.32 -3.88 -0.26 0.00 -0.03 0.00 0.00 56.01 52.16 1u1e n LEU 116 Cb 0.48 -0.84 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1u1e n LEU 116 CO 0.60 1.25 -0.30 1.51 -1.33 0.00 0.00 177.39 179.11 1u1e s ASP 117 N -1.70 3.48 -0.23 -1.43 -4.77 -1.21 -1.59 116.67 109.22 1u1e s ASP 117 Ca 0.58 -1.34 0.10 0.00 -3.30 0.00 0.00 52.55 48.59 1u1e s ASP 117 Cb 0.48 -0.31 -0.21 0.00 -1.09 0.00 0.00 42.92 41.78 1u1e s ASP 117 CO 0.06 -0.44 -0.07 0.61 0.70 0.00 0.00 175.17 176.02 1u1e n GLY 118 N -0.86 -0.69 0.23 2.12 0.00 -1.26 -4.62 105.19 100.10 1u1e n GLY 118 Ca -0.04 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.74 1u1e n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1e h ALA 119 N 0.51 1.45 -0.28 4.61 0.00 -1.98 -2.52 119.26 121.05 1u1e h ALA 119 Ca -0.56 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 1u1e h ALA 119 Cb 2.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1u1e h ALA 119 CO -0.03 0.39 0.15 0.66 0.00 0.00 0.00 179.25 180.42 1u1e h SER 120 N 0.18 0.33 0.70 0.00 4.64 -1.86 -1.60 113.55 115.95 1u1e h SER 120 Ca 0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1u1e h SER 120 Cb 0.47 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1u1e h SER 120 CO 0.03 0.27 0.00 -0.07 -0.87 0.00 0.00 176.83 176.19 1u1e h LEU 121 N 0.38 0.00 -0.13 5.97 3.38 -1.56 -1.99 115.31 121.36 1u1e h LEU 121 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1u1e h LEU 121 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1u1e h LEU 121 CO -0.02 0.00 -0.03 1.41 0.09 0.00 0.00 178.44 179.89 1u1e n HIS 122 N -2.88 0.00 0.00 1.13 8.25 -0.60 -3.94 115.22 117.18 1u1e n HIS 122 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1u1e n HIS 122 Cb 0.23 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1u1e n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1e n PHE 123 N -0.99 0.00 -3.66 4.41 3.01 -0.85 -5.09 117.46 114.29 1u1e n PHE 123 Ca 0.18 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.49 1u1e n PHE 123 Cb 0.21 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.60 1u1e n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1e s ALA 124 N -1.97 -1.28 0.86 4.37 0.00 -0.81 -5.01 121.76 117.92 1u1e s ALA 124 Ca 0.00 1.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 1u1e s ALA 124 Cb 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.97 1u1e s ALA 124 CO 0.00 -0.29 1.12 -1.25 0.00 0.00 0.00 175.76 175.33 1u1e s PRO 125 N -0.76 1.52 0.49 0.00 0.04 -1.26 -3.88 135.00 131.15 1u1e s PRO 125 Ca -0.08 1.32 0.23 0.00 0.04 0.00 0.00 61.00 62.51 1u1e s PRO 125 Cb -0.03 -1.80 1.28 0.00 0.04 0.00 0.00 34.50 33.99 1u1e s PRO 125 CO 0.05 -2.21 1.92 1.25 0.04 0.00 0.00 177.00 178.05 1u1e h LEU 126 N -1.55 0.17 -1.96 -3.56 5.85 -1.93 -1.22 115.31 111.11 1u1e h LEU 126 Ca -0.44 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1u1e h LEU 126 Cb 1.25 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1u1e h LEU 126 CO 0.47 0.08 -0.06 1.05 -0.34 0.00 0.00 178.44 179.64 1u1e h GLU 127 N 0.18 0.00 -6.61 1.25 9.09 -2.03 -3.43 114.58 113.03 1u1e h GLU 127 Ca 0.37 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.26 1u1e h GLU 127 Cb 1.21 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.33 1u1e h GLU 127 CO -0.07 0.06 0.62 0.12 0.05 0.00 0.00 179.01 179.79 1u1e s PHE 128 N -3.97 3.35 0.07 2.06 2.19 -0.46 -4.99 117.98 116.23 1u1e s PHE 128 Ca -0.02 1.25 -0.30 0.00 0.33 0.00 0.00 56.93 58.19 1u1e s PHE 128 Cb 0.11 -3.53 -0.05 0.00 -1.31 0.00 0.00 43.02 38.25 1u1e s PHE 128 CO 0.53 -1.63 1.08 -1.25 1.83 0.00 0.00 175.22 175.78 1u1e s PRO 129 N 0.29 4.54 -1.31 10.12 0.04 -1.26 -4.94 135.00 142.48 1u1e s PRO 129 Ca 0.57 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 1u1e s PRO 129 Cb -0.34 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.82 1u1e s PRO 129 CO 0.34 -0.07 2.21 0.00 0.04 0.00 0.00 177.00 179.53 1u1e n ALA 130 N 3.47 5.18 -2.79 8.56 0.00 -1.26 -4.75 120.51 128.93 1u1e n ALA 130 Ca 0.06 -3.69 -0.37 0.00 0.00 0.00 0.00 53.44 49.44 1u1e n ALA 130 Cb 0.48 -3.54 -0.06 0.00 0.00 0.00 0.00 19.45 16.33 1u1e n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1e s VAL 131 N 3.52 5.38 0.51 0.00 0.11 -1.26 -1.01 120.40 127.66 1u1e s VAL 131 Ca 0.51 0.30 -0.17 0.00 -2.93 0.00 0.00 61.98 59.68 1u1e s VAL 131 Cb 0.14 -3.49 -0.08 0.00 -1.53 0.00 0.00 36.38 31.42 1u1e s VAL 131 CO -0.04 0.56 1.00 0.00 -3.33 0.00 0.00 175.10 173.28 1u1e s ALA 132 N -1.10 2.99 0.24 1.54 0.00 0.17 -4.68 121.76 120.92 1u1e s ALA 132 Ca 0.19 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 1u1e s ALA 132 Cb -0.13 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 1u1e s ALA 132 CO 0.08 -0.28 1.38 0.34 0.00 0.00 0.00 175.76 177.28 1u1e s ASP 133 N -2.77 6.75 0.20 0.00 2.15 0.33 -4.93 116.67 118.40 1u1e s ASP 133 Ca 0.61 2.58 -0.11 0.00 0.43 0.00 0.00 52.55 56.06 1u1e s ASP 133 Cb -0.11 -2.62 0.15 0.00 -0.30 0.00 0.00 42.92 40.03 1u1e s ASP 133 CO 0.28 -0.62 1.86 0.15 -0.17 0.00 0.00 175.17 176.67 1u1e h PHE 134 N 4.95 0.84 -0.50 -5.34 3.04 -1.96 -0.99 116.94 116.99 1u1e h PHE 134 Ca -0.46 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.44 1u1e h PHE 134 Cb 1.22 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.43 1u1e h PHE 134 CO 0.60 0.51 0.04 0.93 -2.02 0.00 0.00 178.31 178.37 1u1e h GLU 135 N 0.89 0.85 -0.31 1.11 5.08 -1.96 -0.94 114.58 119.31 1u1e h GLU 135 Ca 0.26 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1u1e h GLU 135 Cb -0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1u1e h GLU 135 CO -0.08 0.86 0.10 0.00 -1.00 0.00 0.00 179.01 178.89 1u1e h THR 137 N 0.34 1.18 -0.26 0.00 2.02 -1.14 -1.55 112.91 113.51 1u1e h THR 137 Ca 0.10 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1u1e h THR 137 Cb 0.24 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1u1e h THR 137 CO -0.00 0.19 0.17 0.74 0.37 0.00 0.00 175.52 176.98 1u1e h THR 138 N 0.79 1.07 -0.61 3.16 2.02 -1.04 -1.21 112.91 117.09 1u1e h THR 138 Ca 0.21 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 67.32 1u1e h THR 138 Cb 0.00 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 1u1e h THR 138 CO -0.04 0.07 0.32 0.00 0.37 0.00 0.00 175.52 176.24 1u1e h ALA 139 N 1.09 0.80 -0.35 6.16 0.00 -0.83 -0.00 119.26 126.13 1u1e h ALA 139 Ca 0.09 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1u1e h ALA 139 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1u1e h ALA 139 CO -0.02 -0.02 -0.07 -0.07 0.00 0.00 0.00 179.25 179.07 1u1e h LEU 140 N 0.59 0.66 -0.62 0.00 3.38 -1.10 0.60 115.31 118.83 1u1e h LEU 140 Ca 0.27 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1u1e h LEU 140 Cb 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1u1e h LEU 140 CO -0.19 0.86 0.29 0.58 0.09 0.00 0.00 178.44 180.08 1u1e h VAL 141 N 0.45 1.22 -0.34 1.22 2.07 -0.95 0.64 116.25 120.56 1u1e h VAL 141 Ca 0.09 -0.61 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 1u1e h VAL 141 Cb 0.56 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1u1e h VAL 141 CO 0.03 0.25 -0.30 -0.33 0.02 0.00 0.00 177.57 177.24 1u1e h GLU 142 N 0.84 0.73 -0.26 1.57 5.08 -0.93 -1.80 114.58 119.81 1u1e h GLU 142 Ca 0.21 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1u1e h GLU 142 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1u1e h GLU 142 CO -0.03 0.93 -0.34 0.00 -1.00 0.00 0.00 179.01 178.58 1u1e h ALA 143 N 1.05 0.93 -0.22 3.43 0.00 -0.59 -1.32 119.26 122.54 1u1e h ALA 143 Ca 0.07 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1u1e h ALA 143 Cb 0.82 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1u1e h ALA 143 CO 0.07 0.62 -0.46 0.00 0.00 0.00 0.00 179.25 179.48 1u1e h ALA 144 N 1.16 0.79 0.00 0.00 0.00 -0.79 -3.01 119.26 117.41 1u1e h ALA 144 Ca 0.05 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1u1e h ALA 144 Cb 0.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1u1e h ALA 144 CO 0.07 0.66 -0.54 1.57 0.00 0.00 0.00 179.25 181.01 1u1e h LYS 145 N 0.45 0.00 -0.25 0.00 5.09 -1.14 -2.37 116.57 118.36 1u1e h LYS 145 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.64 1u1e h LYS 145 Cb 0.98 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.31 1u1e h LYS 145 CO 0.09 0.54 -0.36 0.77 -2.09 0.00 0.00 179.45 178.40 1u1e h SER 146 N 0.00 0.74 1.42 7.07 0.02 -1.17 -3.22 113.55 118.41 1u1e h SER 146 Ca -0.01 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1u1e h SER 146 Cb 0.97 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1u1e h SER 146 CO 0.07 1.11 -0.31 0.16 -1.14 0.00 0.00 176.83 176.73 1u1e h ILE 147 N 0.39 0.00 0.00 3.27 3.07 -1.56 -3.48 117.51 119.20 1u1e h ILE 147 Ca 0.02 -0.73 0.00 0.00 1.55 0.00 0.00 64.86 65.71 1u1e h ILE 147 Cb 0.95 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 39.05 1u1e h ILE 147 CO 0.08 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.79 1u1e n GLY 148 N 1.23 1.24 3.85 0.16 0.00 -0.96 -5.08 105.19 105.63 1u1e n GLY 148 Ca 0.04 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1u1e n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1e s ALA 149 N -2.00 3.10 -0.33 4.61 0.00 -0.94 -5.02 121.76 121.19 1u1e s ALA 149 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1u1e s ALA 149 Cb 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 20.06 1u1e s ALA 149 CO 0.00 -0.19 1.28 0.99 0.00 0.00 0.00 175.76 177.84 1u1e s THR 150 N -2.57 4.16 -0.05 0.00 2.01 -1.26 -4.78 115.64 113.14 1u1e s THR 150 Ca 0.58 1.29 0.06 0.00 0.31 0.00 0.00 61.69 63.93 1u1e s THR 150 Cb -0.10 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 1u1e s THR 150 CO 0.31 -0.55 -0.25 -0.89 -0.69 0.00 0.00 174.62 172.54 1u1e s THR 151 N 4.43 2.08 -0.04 -0.82 2.01 -1.26 -0.87 115.64 121.17 1u1e s THR 151 Ca 0.55 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.55 1u1e s THR 151 Cb -0.15 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 1u1e s THR 151 CO 0.24 0.57 -0.25 -1.00 -0.69 0.00 0.00 174.62 173.50 1u1e s HIS 152 N -0.27 2.32 -0.14 4.92 3.76 -0.54 -4.99 115.29 120.36 1u1e s HIS 152 Ca -0.00 -0.58 0.02 0.00 -0.15 0.00 0.00 55.06 54.35 1u1e s HIS 152 Cb -0.13 -1.51 0.01 0.00 1.11 0.00 0.00 32.58 32.06 1u1e s HIS 152 CO 0.03 -0.14 -0.21 0.08 -0.85 0.00 0.00 174.74 173.65 1u1e s VAL 153 N -0.34 1.99 -2.75 -0.90 1.01 -1.26 -1.00 120.40 117.14 1u1e s VAL 153 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1u1e s VAL 153 Cb -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1u1e s VAL 153 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1u1e n GLY 154 N 4.08 -0.60 3.81 4.51 0.00 -0.91 -4.97 105.19 111.11 1u1e n GLY 154 Ca -0.20 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1u1e n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1e s VAL 155 N -3.67 4.64 -0.04 1.61 1.01 -1.26 -1.43 120.40 121.26 1u1e s VAL 155 Ca 0.00 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.31 1u1e s VAL 155 Cb 0.00 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1u1e s VAL 155 CO 0.00 0.39 -0.25 -0.89 0.00 0.00 0.00 175.10 174.36 1u1e s THR 156 N -1.30 1.99 -0.30 3.92 2.01 -0.78 -1.06 115.64 120.12 1u1e s THR 156 Ca 0.36 -1.05 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 1u1e s THR 156 Cb -0.19 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 70.65 1u1e s THR 156 CO 0.21 0.56 0.73 0.00 -0.69 0.00 0.00 174.62 175.43 1u1e s ALA 157 N -0.32 3.53 -0.37 7.40 0.00 0.03 0.26 121.76 132.29 1u1e s ALA 157 Ca 0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 1u1e s ALA 157 Cb -0.12 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1u1e s ALA 157 CO 0.02 -1.15 0.17 0.45 0.00 0.00 0.00 175.76 175.26 1u1e s SER 158 N 1.62 5.53 -0.10 0.00 0.15 -0.52 -1.81 113.70 118.57 1u1e s SER 158 Ca 0.30 -1.18 -0.02 0.00 0.70 0.00 0.00 55.95 55.75 1u1e s SER 158 Cb -0.14 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1u1e s SER 158 CO 0.12 -0.40 -0.02 -0.55 1.20 0.00 0.00 173.24 173.59 1u1e s SER 159 N 1.61 5.01 0.00 5.45 0.15 0.16 -1.20 113.70 124.89 1u1e s SER 159 Ca 0.01 0.05 0.19 0.00 0.70 0.00 0.00 55.95 56.89 1u1e s SER 159 Cb -0.20 -1.46 1.10 0.00 -1.71 0.00 0.00 66.02 63.74 1u1e s SER 159 CO 0.04 0.33 1.50 0.47 1.20 0.00 0.00 173.24 176.78 1u1e n ASP 160 N 2.46 0.00 -3.86 5.45 9.92 -0.62 -4.33 116.55 125.56 1u1e n ASP 160 Ca -0.18 -0.55 -0.12 0.00 -0.53 0.00 0.00 54.79 53.42 1u1e n ASP 160 Cb 0.53 -0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.88 1u1e n ASP 160 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1u1e s THR 161 N -2.03 0.04 0.07 -3.53 -1.32 -1.26 -5.01 115.64 102.60 1u1e s THR 161 Ca 0.27 -0.36 0.06 0.00 -1.21 0.00 0.00 61.69 60.45 1u1e s THR 161 Cb 0.13 -0.29 -0.23 0.00 -1.51 0.00 0.00 72.50 70.60 1u1e s THR 161 CO 0.22 -0.20 1.08 0.15 -2.21 0.00 0.00 174.62 173.66 1u1e h PHE 162 N 5.17 0.11 0.00 9.09 3.57 -1.97 -3.38 116.94 129.53 1u1e h PHE 162 Ca -0.28 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1u1e h PHE 162 Cb 1.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1u1e h PHE 162 CO 0.50 1.08 0.00 0.66 -2.23 0.00 0.00 178.31 178.32 1u1e n TYR 163 N -3.32 0.00 -0.23 0.41 4.02 -1.26 -4.39 117.16 112.40 1u1e n TYR 163 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.80 1u1e n TYR 163 Cb 0.98 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 40.48 1u1e n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1e h PRO 164 N 0.00 1.03 0.00 -0.72 0.13 -1.87 0.10 132.00 130.67 1u1e h PRO 164 Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1u1e h PRO 164 Cb 0.00 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 30.93 1u1e h PRO 164 CO 0.00 0.78 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 1u1e n GLY 165 N -1.14 -1.28 0.86 1.56 0.00 -1.26 -0.84 105.19 103.09 1u1e n GLY 165 Ca 0.07 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1u1e n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u1e n GLN 166 N -2.21 3.01 -3.93 1.61 6.02 -0.86 -4.92 117.38 116.10 1u1e n GLN 166 Ca 0.02 -2.50 -0.26 0.00 -0.01 0.00 0.00 57.00 54.24 1u1e n GLN 166 Cb 0.23 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 1u1e n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1e n GLU 167 N 0.10 -2.99 -3.24 -1.09 2.13 -0.02 -4.92 120.64 110.61 1u1e n GLU 167 Ca 0.18 0.40 -0.39 0.00 0.66 0.00 0.00 57.16 58.01 1u1e n GLU 167 Cb 0.69 -4.43 -0.06 0.00 0.27 0.00 0.00 31.44 27.92 1u1e n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1e s ARG 168 N -6.53 4.33 -0.00 5.31 0.52 0.29 -4.97 118.95 117.91 1u1e s ARG 168 Ca 0.06 0.62 0.13 0.00 -0.52 0.00 0.00 55.73 56.01 1u1e s ARG 168 Cb -0.02 -3.40 -0.15 0.00 0.52 0.00 0.00 34.95 31.89 1u1e s ARG 168 CO 0.89 0.22 0.53 0.66 0.02 0.00 0.00 175.30 177.63 1u1e n TYR 169 N 3.34 0.00 -1.49 -0.53 4.02 -1.26 -4.33 117.16 116.90 1u1e n TYR 169 Ca -0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.43 1u1e n TYR 169 Cb 0.51 -0.04 -0.02 0.00 -0.02 0.00 0.00 39.34 39.78 1u1e n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1e n ASP 170 N -1.39 4.90 -3.97 7.72 5.75 -1.26 -4.22 116.55 124.08 1u1e n ASP 170 Ca 0.02 -2.72 -0.18 0.00 -0.01 0.00 0.00 54.79 51.90 1u1e n ASP 170 Cb 0.22 -1.53 -0.09 0.00 -1.03 0.00 0.00 41.12 38.69 1u1e n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u1e s THR 171 N 3.21 0.27 0.15 2.12 -4.23 -1.26 -5.02 115.64 110.87 1u1e s THR 171 Ca 0.53 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.86 1u1e s THR 171 Cb 0.15 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.49 1u1e s THR 171 CO -0.05 0.00 1.71 0.22 -0.54 0.00 0.00 174.62 175.96 1u1e h TYR 172 N 2.26 -0.01 0.13 3.99 5.03 -1.99 -3.11 116.97 123.28 1u1e h TYR 172 Ca -0.33 0.02 -0.29 0.00 2.58 0.00 0.00 58.73 60.71 1u1e h TYR 172 Cb 1.25 0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.58 1u1e h TYR 172 CO 0.98 -0.05 -1.36 0.66 -1.32 0.00 0.00 178.16 177.07 1u1e h SER 173 N 0.09 0.44 -0.07 -2.11 4.64 -1.97 -3.47 113.55 111.09 1u1e h SER 173 Ca 0.14 -0.51 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1u1e h SER 173 Cb 0.19 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1u1e h SER 173 CO -0.24 1.41 -0.03 0.61 -0.87 0.00 0.00 176.83 177.71 1u1e n GLY 174 N 1.59 0.44 3.50 -0.77 0.00 -1.18 -5.01 105.19 103.76 1u1e n GLY 174 Ca -0.12 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1u1e n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1e s ARG 175 N -1.10 1.80 -0.05 1.61 1.70 -1.26 -4.93 118.95 116.72 1u1e s ARG 175 Ca 0.00 -1.41 0.03 0.00 -0.47 0.00 0.00 55.73 53.89 1u1e s ARG 175 Cb 0.00 -2.00 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 1u1e s ARG 175 CO 0.00 0.41 -0.13 0.08 -1.08 0.00 0.00 175.30 174.58 1u1e s VAL 176 N -1.72 1.17 0.52 4.99 1.01 -1.26 -4.91 120.40 120.20 1u1e s VAL 176 Ca 0.23 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 1u1e s VAL 176 Cb -0.08 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.19 1u1e s VAL 176 CO 0.13 0.35 1.12 0.55 0.00 0.00 0.00 175.10 177.25 1u1e n VAL 177 N 3.44 3.25 -0.31 2.92 3.14 -1.26 -4.64 118.33 124.86 1u1e n VAL 177 Ca -0.20 -0.50 0.12 0.00 -2.96 0.00 0.00 64.34 60.80 1u1e n VAL 177 Cb 0.53 -1.35 0.26 0.00 -1.06 0.00 0.00 33.84 32.22 1u1e n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1e h ARG 178 N 1.22 0.06 -0.71 1.45 2.43 -2.00 -0.55 114.38 116.29 1u1e h ARG 178 Ca -0.48 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 58.79 1u1e h ARG 178 Cb 1.33 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 1u1e h ARG 178 CO 0.55 0.04 0.47 1.25 -1.51 0.00 0.00 179.97 180.77 1u1e h HIS 179 N 0.07 0.59 -0.02 2.20 2.76 -2.02 -2.35 115.15 116.37 1u1e h HIS 179 Ca 0.54 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.73 1u1e h HIS 179 Cb 1.08 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.86 1u1e h HIS 179 CO -0.44 0.27 -0.23 1.19 -1.30 0.00 0.00 177.93 177.42 1u1e n PHE 180 N -4.49 0.00 -1.93 5.26 3.01 -0.26 -4.81 117.46 114.23 1u1e n PHE 180 Ca 0.12 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 1u1e n PHE 180 Cb 0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1u1e n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1e s LYS 181 N -2.03 4.18 0.00 -1.08 -0.14 -0.89 -1.80 119.74 117.99 1u1e s LYS 181 Ca 0.20 2.30 0.00 0.00 -1.36 0.00 0.00 55.97 57.11 1u1e s LYS 181 Cb 0.17 -3.88 0.00 0.00 -1.68 0.00 0.00 37.83 32.44 1u1e s LYS 181 CO 0.40 -0.82 0.00 0.41 -0.76 0.00 0.00 175.35 174.58 1u1e n GLY 182 N 4.14 0.47 0.24 -3.33 0.00 -1.26 -4.94 105.19 100.51 1u1e n GLY 182 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1u1e n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1e h SER 183 N 0.00 0.77 -0.69 1.61 4.64 -1.67 -2.87 113.55 115.34 1u1e h SER 183 Ca 0.00 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1u1e h SER 183 Cb 0.15 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1u1e h SER 183 CO 0.00 1.09 0.44 -0.03 -0.87 0.00 0.00 176.83 177.46 1u1e h MET 184 N 0.59 0.92 -0.84 4.77 -1.53 -1.92 -1.20 114.93 115.72 1u1e h MET 184 Ca 0.05 -0.06 0.05 0.00 -3.44 0.00 0.00 59.70 56.29 1u1e h MET 184 Cb 0.96 -0.20 -0.06 0.00 -0.55 0.00 0.00 31.60 31.75 1u1e h MET 184 CO 0.09 0.62 0.53 1.49 0.14 0.00 0.00 176.91 179.78 1u1e h GLU 185 N 0.94 0.95 0.05 0.39 4.81 -1.95 -0.62 114.58 119.15 1u1e h GLU 185 Ca 0.25 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1u1e h GLU 185 Cb -0.08 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.08 1u1e h GLU 185 CO -0.05 0.63 -0.02 0.93 -0.73 0.00 0.00 179.01 179.77 1u1e h GLU 186 N 0.98 -0.06 -0.81 1.92 4.39 -1.18 -2.13 114.58 117.70 1u1e h GLU 186 Ca 0.36 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.07 1u1e h GLU 186 Cb 0.12 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1u1e h GLU 186 CO -0.15 0.09 0.54 -1.49 -1.16 0.00 0.00 179.01 176.84 1u1e h TRP 187 N -0.20 1.02 -0.32 4.33 -0.00 -1.03 -1.75 115.95 118.01 1u1e h TRP 187 Ca -0.01 0.02 0.04 0.00 -0.00 0.00 0.00 58.89 58.94 1u1e h TRP 187 Cb 0.18 -0.35 -0.04 0.00 -0.00 0.00 0.00 29.16 28.96 1u1e h TRP 187 CO -0.03 0.64 0.10 1.96 -0.00 0.00 0.00 178.44 181.11 1u1e h GLN 188 N 1.10 0.22 0.00 0.49 4.20 -1.03 -0.93 115.11 119.15 1u1e h GLN 188 Ca 0.30 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 1u1e h GLN 188 Cb -0.13 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1u1e h GLN 188 CO -0.07 0.15 -0.17 0.00 -0.67 0.00 0.00 178.83 178.07 1u1e h ALA 189 N 1.21 1.61 -0.04 3.87 0.00 -1.07 -2.22 119.26 122.62 1u1e h ALA 189 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u1e h ALA 189 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u1e h ALA 189 CO -0.16 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 177.97 1u1e n MET 190 N -4.18 1.40 -0.82 0.00 2.81 -0.67 -4.92 117.12 110.74 1u1e n MET 190 Ca -0.02 -0.59 0.00 0.00 -1.81 0.00 0.00 57.70 55.28 1u1e n MET 190 Cb 0.24 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1u1e n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1e n GLY 191 N 1.06 0.58 3.71 3.03 0.00 -0.83 -5.02 105.19 107.73 1u1e n GLY 191 Ca 0.19 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1u1e n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1e s VAL 192 N -2.00 2.85 0.06 1.61 1.01 -0.44 -4.59 120.40 118.90 1u1e s VAL 192 Ca 0.00 0.58 -0.13 0.00 0.00 0.00 0.00 61.98 62.44 1u1e s VAL 192 Cb 0.00 -3.37 -0.29 0.00 0.00 0.00 0.00 36.38 32.71 1u1e s VAL 192 CO 0.00 0.04 1.11 0.24 0.00 0.00 0.00 175.10 176.49 1u1e h MET 193 N 6.99 0.54 -2.58 2.72 0.00 -1.42 -3.41 114.93 117.78 1u1e h MET 193 Ca -0.42 -0.77 0.12 0.00 0.00 0.00 0.00 59.70 58.63 1u1e h MET 193 Cb 1.20 0.26 -0.08 0.00 0.00 0.00 0.00 31.60 32.98 1u1e h MET 193 CO 0.90 1.35 0.39 0.54 0.00 0.00 0.00 176.91 180.09 1u1e s ASN 194 N -7.39 -0.26 -0.13 1.22 6.03 -1.26 -0.46 114.94 112.70 1u1e s ASN 194 Ca -0.08 -0.38 -0.01 0.00 -1.03 0.00 0.00 52.86 51.36 1u1e s ASN 194 Cb 0.06 0.55 -0.02 0.00 -3.03 0.00 0.00 41.25 38.81 1u1e s ASN 194 CO 0.92 -1.00 -0.09 -0.31 -2.03 0.00 0.00 177.10 174.60 1u1e s TYR 195 N -3.49 2.90 0.00 1.54 4.12 -0.47 -0.79 117.35 121.16 1u1e s TYR 195 Ca 0.10 -0.39 0.00 0.00 0.02 0.00 0.00 57.07 56.80 1u1e s TYR 195 Cb -0.03 -1.86 0.00 0.00 -1.52 0.00 0.00 41.96 38.56 1u1e s TYR 195 CO 0.01 -0.05 0.00 -0.85 0.02 0.00 0.00 175.55 174.68 1u1e n GLU 196 N 3.27 0.00 0.00 -0.62 -0.00 -0.75 -2.95 120.64 119.59 1u1e n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1e n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1e n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1e n MET 197 N 0.00 0.30 0.00 3.44 2.81 -1.26 -0.66 117.12 121.74 1u1e n MET 197 Ca 0.00 -0.58 0.00 0.00 -1.81 0.00 0.00 57.70 55.31 1u1e n MET 197 Cb 0.00 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 1u1e n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1e n GLU 198 N -0.11 2.90 -0.26 0.03 4.71 -1.26 -3.40 120.64 123.25 1u1e n GLU 198 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1u1e n GLU 198 Cb 0.20 -0.72 0.11 0.00 -1.01 0.00 0.00 31.44 30.03 1u1e n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1e h SER 199 N 0.00 1.02 -0.41 1.62 4.64 -1.94 -1.61 113.55 116.86 1u1e h SER 199 Ca 0.00 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1u1e h SER 199 Cb 0.13 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.91 1u1e h SER 199 CO 0.00 0.90 0.16 0.00 -0.87 0.00 0.00 176.83 177.02 1u1e h ALA 200 N 1.25 0.50 0.32 5.18 0.00 -1.87 0.25 119.26 124.88 1u1e h ALA 200 Ca 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1u1e h ALA 200 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1u1e h ALA 200 CO -0.02 -0.22 -0.15 1.15 0.00 0.00 0.00 179.25 180.01 1u1e h THR 201 N 0.34 0.70 -0.02 0.00 2.02 -1.85 -1.69 112.91 112.41 1u1e h THR 201 Ca 0.19 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1u1e h THR 201 Cb 0.15 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1u1e h THR 201 CO -0.17 0.08 -0.20 0.25 0.37 0.00 0.00 175.52 175.85 1u1e h LEU 202 N -0.65 -0.59 -0.54 2.58 5.85 -1.13 -0.70 115.31 120.13 1u1e h LEU 202 Ca -0.04 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1u1e h LEU 202 Cb 0.46 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1u1e h LEU 202 CO 0.07 -0.26 0.08 -0.07 -0.34 0.00 0.00 178.44 177.92 1u1e h LEU 203 N -0.31 0.86 0.08 2.25 3.38 -0.56 -1.77 115.31 119.24 1u1e h LEU 203 Ca 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1u1e h LEU 203 Cb 0.40 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1u1e h LEU 203 CO -0.20 0.91 -0.04 0.74 0.09 0.00 0.00 178.44 179.94 1u1e h THR 204 N 0.78 1.04 -0.07 0.22 2.02 -1.18 -1.00 112.91 114.73 1u1e h THR 204 Ca 0.16 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1u1e h THR 204 Cb 0.41 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1u1e h THR 204 CO 0.01 0.11 -0.29 0.00 0.37 0.00 0.00 175.52 175.72 1u1e h MET 205 N -0.30 0.12 0.06 6.66 -0.00 -1.06 -2.07 114.93 118.34 1u1e h MET 205 Ca -0.01 -0.04 -0.12 0.00 -0.00 0.00 0.00 59.70 59.53 1u1e h MET 205 Cb 0.26 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 31.86 1u1e h MET 205 CO 0.02 0.40 -0.49 0.00 -0.00 0.00 0.00 176.91 176.84 1u1e h ALA 207 N 0.14 1.49 -0.29 0.00 0.00 -1.09 0.49 119.26 120.02 1u1e h ALA 207 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1u1e h ALA 207 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1u1e h ALA 207 CO 0.09 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 1u1e n SER 208 N -4.02 2.87 -0.04 0.00 3.41 -0.79 -4.21 113.62 110.86 1u1e n SER 208 Ca -0.02 -1.91 0.01 0.00 -0.26 0.00 0.00 58.87 56.69 1u1e n SER 208 Cb 0.26 -0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1u1e n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1e n GLN 209 N 1.13 1.28 -1.85 4.33 6.02 -0.97 -5.01 117.38 122.30 1u1e n GLN 209 Ca 0.18 -1.07 -0.06 0.00 -0.01 0.00 0.00 57.00 56.04 1u1e n GLN 209 Cb 0.52 -0.76 -0.01 0.00 1.02 0.00 0.00 30.24 31.01 1u1e n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1e n GLY 210 N -0.29 0.32 3.63 1.08 0.00 -1.01 -5.04 105.19 103.89 1u1e n GLY 210 Ca 0.01 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1u1e n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1e s LEU 211 N -1.57 3.32 -0.11 0.99 1.43 0.13 -5.05 118.68 117.81 1u1e s LEU 211 Ca 0.00 -0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 52.82 1u1e s LEU 211 Cb 0.00 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1u1e s LEU 211 CO 0.00 0.29 0.57 -0.13 0.23 0.00 0.00 176.35 177.31 1u1e s ARG 212 N -1.41 4.36 -0.00 1.70 0.52 -0.40 -3.83 118.95 119.89 1u1e s ARG 212 Ca 0.18 0.61 0.02 0.00 -0.52 0.00 0.00 55.73 56.02 1u1e s ARG 212 Cb -0.11 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 31.89 1u1e s ARG 212 CO 0.08 0.08 -0.08 0.00 0.02 0.00 0.00 175.30 175.41 1u1e s ALA 213 N 0.82 0.64 0.14 2.13 0.00 -1.26 0.07 121.76 124.30 1u1e s ALA 213 Ca 0.30 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1u1e s ALA 213 Cb -0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1u1e s ALA 213 CO 0.13 0.15 -0.13 0.20 0.00 0.00 0.00 175.76 176.11 1u1e s GLY 214 N -0.28 1.11 -0.04 0.00 0.00 -0.14 -0.51 107.32 107.46 1u1e s GLY 214 Ca 0.02 -1.39 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 1u1e s GLY 214 CO -0.00 -1.46 0.03 -0.29 0.00 0.00 0.00 173.10 171.38 1u1e s MET 215 N -3.08 0.12 0.04 2.90 1.75 -1.26 -1.17 119.30 118.60 1u1e s MET 215 Ca 0.12 0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.84 1u1e s MET 215 Cb -0.02 -0.55 -0.02 0.00 2.84 0.00 0.00 34.83 37.08 1u1e s MET 215 CO 0.03 -0.26 -0.10 0.54 -0.65 0.00 0.00 175.02 174.58 1u1e s VAL 216 N 1.75 0.73 -0.08 10.11 0.11 -0.49 -1.55 120.40 130.97 1u1e s VAL 216 Ca 0.00 -0.94 -0.16 0.00 -2.93 0.00 0.00 61.98 57.96 1u1e s VAL 216 Cb -0.12 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1u1e s VAL 216 CO -0.03 -0.18 0.38 0.00 -3.33 0.00 0.00 175.10 171.94 1u1e s ALA 217 N -1.02 -0.96 -0.13 1.54 0.00 -0.42 -1.63 121.76 119.15 1u1e s ALA 217 Ca -0.04 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1u1e s ALA 217 Cb -0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1u1e s ALA 217 CO 0.01 -0.23 0.25 0.20 0.00 0.00 0.00 175.76 175.99 1u1e s GLY 218 N -0.57 2.22 -0.28 0.00 0.00 -0.99 -0.14 107.32 107.56 1u1e s GLY 218 Ca -0.07 -0.49 -0.29 0.00 0.00 0.00 0.00 44.72 43.87 1u1e s GLY 218 CO 0.03 0.14 1.10 0.14 0.00 0.00 0.00 173.10 174.50 1u1e s VAL 219 N -0.21 4.51 -0.49 1.40 1.01 0.54 -2.74 120.40 124.43 1u1e s VAL 219 Ca 0.16 1.77 0.11 0.00 0.00 0.00 0.00 61.98 64.03 1u1e s VAL 219 Cb -0.13 -4.34 -0.13 0.00 0.00 0.00 0.00 36.38 31.79 1u1e s VAL 219 CO 0.05 -0.37 0.46 2.30 0.00 0.00 0.00 175.10 177.54 1u1e n ILE 220 N 5.70 0.00 -3.73 2.22 -5.35 -1.03 -0.05 119.36 117.12 1u1e n ILE 220 Ca 0.12 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.24 1u1e n ILE 220 Cb 0.47 0.94 -0.10 0.00 -1.74 0.00 0.00 39.64 39.21 1u1e n ILE 220 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1u1e s VAL 221 N -2.12 -0.00 -0.23 7.28 1.01 -1.23 -4.56 120.40 120.55 1u1e s VAL 221 Ca 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1u1e s VAL 221 Cb 0.08 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1u1e s VAL 221 CO 0.46 0.00 -0.02 0.21 0.00 0.00 0.00 175.10 175.76 1u1e s ASN 222 N 0.31 4.47 0.28 3.32 3.84 -1.26 -0.08 114.94 125.82 1u1e s ASN 222 Ca -0.01 -0.37 0.23 0.00 0.21 0.00 0.00 52.86 52.93 1u1e s ASN 222 Cb -0.03 -1.77 1.04 0.00 -0.55 0.00 0.00 41.25 39.93 1u1e s ASN 222 CO -0.00 -0.03 1.71 0.54 -2.79 0.00 0.00 177.10 176.53 1u1e n ARG 223 N 4.82 0.19 0.00 0.43 5.12 0.22 -2.36 116.66 125.08 1u1e n ARG 223 Ca -0.18 0.48 0.13 0.00 -1.93 0.00 0.00 57.85 56.35 1u1e n ARG 223 Cb 0.51 -1.90 0.35 0.00 -1.16 0.00 0.00 32.46 30.25 1u1e n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1u1e n THR 224 N -2.27 0.00 0.02 0.55 -2.24 -1.26 -4.56 114.28 104.52 1u1e n THR 224 Ca 0.01 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1u1e n THR 224 Cb 0.19 0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1u1e n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1e n GLN 225 N -0.91 0.00 -3.68 -0.78 10.64 -1.00 -5.09 117.38 116.56 1u1e n GLN 225 Ca 0.10 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.14 1u1e n GLN 225 Cb 0.34 -0.50 -0.07 0.00 -0.86 0.00 0.00 30.24 29.15 1u1e n GLN 225 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1u1e s GLN 226 N -2.00 0.86 -0.15 2.61 0.00 -1.02 -5.08 119.66 114.89 1u1e s GLN 226 Ca -0.00 -0.29 0.07 0.00 -0.00 0.00 0.00 55.36 55.14 1u1e s GLN 226 Cb 0.00 0.39 -0.23 0.00 0.00 0.00 0.00 33.01 33.17 1u1e s GLN 226 CO 0.00 -0.28 0.24 -1.91 0.00 0.00 0.00 175.29 173.34 1u1e n GLU 227 N 0.71 0.68 -2.74 9.60 4.07 -1.26 -4.16 120.64 127.54 1u1e n GLU 227 Ca -0.19 0.18 -0.43 0.00 -0.06 0.00 0.00 57.16 56.66 1u1e n GLU 227 Cb 0.59 -1.64 -0.03 0.00 -0.06 0.00 0.00 31.44 30.29 1u1e n GLU 227 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1e s ILE 228 N -2.54 4.62 0.35 6.31 1.01 -1.26 -4.99 121.20 124.70 1u1e s ILE 228 Ca -0.17 1.58 -0.26 0.00 0.00 0.00 0.00 60.65 61.81 1u1e s ILE 228 Cb 0.07 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 1u1e s ILE 228 CO 0.76 -0.38 1.03 -2.84 0.00 0.00 0.00 174.94 173.51 1u1e s PRO 229 N 3.38 4.37 0.07 2.79 0.02 -1.26 -5.02 135.00 139.35 1u1e s PRO 229 Ca 0.41 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.64 1u1e s PRO 229 Cb -0.13 -2.74 -0.05 0.00 0.02 0.00 0.00 34.50 31.60 1u1e s PRO 229 CO 0.13 0.05 1.04 1.21 -0.33 0.00 0.00 177.00 179.10 1u1e s ASN 230 N -1.45 7.32 -0.09 2.53 2.47 -1.26 -4.94 114.94 119.52 1u1e s ASN 230 Ca 0.53 1.83 -0.04 0.00 0.42 0.00 0.00 52.86 55.60 1u1e s ASN 230 Cb -0.23 -2.58 -0.12 0.00 -1.45 0.00 0.00 41.25 36.87 1u1e s ASN 230 CO 0.29 -0.25 2.99 0.00 -3.72 0.00 0.00 177.10 176.41 1u1e n ALA 231 N 3.42 5.72 0.00 1.71 0.00 -1.26 -2.47 120.51 127.63 1u1e n ALA 231 Ca 0.05 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1u1e n ALA 231 Cb 0.49 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1u1e n ALA 231 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u1e n GLU 232 N 1.86 0.00 0.12 0.00 2.13 -1.26 -4.87 120.64 118.61 1u1e n GLU 232 Ca 0.32 0.00 0.01 0.00 0.66 0.00 0.00 57.16 58.16 1u1e n GLU 232 Cb 0.74 -0.06 0.34 0.00 0.27 0.00 0.00 31.44 32.73 1u1e n GLU 232 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1u1e h THR 233 N 0.00 1.22 -0.60 6.31 2.02 -1.98 -2.79 112.91 117.09 1u1e h THR 233 Ca 0.00 -1.03 0.06 0.00 0.77 0.00 0.00 66.41 66.20 1u1e h THR 233 Cb 0.00 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1u1e h THR 233 CO 0.00 0.31 0.31 0.24 0.37 0.00 0.00 175.52 176.76 1u1e h MET 234 N 0.20 0.57 -0.08 6.66 2.86 -1.82 0.30 114.93 123.62 1u1e h MET 234 Ca 0.03 -0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 1u1e h MET 234 Cb 0.52 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1u1e h MET 234 CO 0.04 0.38 -0.75 0.87 1.06 0.00 0.00 176.91 178.50 1u1e h LYS 235 N 0.59 0.45 -0.22 1.72 6.56 -1.83 -2.61 116.57 121.23 1u1e h LYS 235 Ca 0.27 -0.38 -0.07 0.00 -1.06 0.00 0.00 60.65 59.42 1u1e h LYS 235 Cb 0.18 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.92 1u1e h LYS 235 CO -0.18 1.01 -0.13 1.96 -2.06 0.00 0.00 179.45 180.05 1u1e h GLN 236 N 0.30 0.47 -0.59 3.15 4.20 -1.18 -2.27 115.11 119.19 1u1e h GLN 236 Ca -0.04 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.36 1u1e h GLN 236 Cb 1.34 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 1u1e h GLN 236 CO 0.13 0.76 -0.02 1.15 -0.67 0.00 0.00 178.83 180.18 1u1e h THR 237 N 0.17 1.27 -0.15 -0.54 2.02 -0.50 -1.21 112.91 113.96 1u1e h THR 237 Ca 0.05 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1u1e h THR 237 Cb 0.63 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1u1e h THR 237 CO 0.04 0.43 0.08 -0.08 0.37 0.00 0.00 175.52 176.35 1u1e h GLU 238 N 0.96 0.21 -0.04 6.66 4.81 -1.47 -1.04 114.58 124.67 1u1e h GLU 238 Ca 0.17 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1u1e h GLU 238 Cb 0.59 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1u1e h GLU 238 CO 0.03 0.25 -0.36 0.66 -0.73 0.00 0.00 179.01 178.86 1u1e h SER 239 N 0.13 0.09 -0.39 1.04 4.64 -1.36 -0.30 113.55 117.40 1u1e h SER 239 Ca 0.05 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 1u1e h SER 239 Cb 0.10 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1u1e h SER 239 CO -0.01 0.45 0.02 -0.74 -0.87 0.00 0.00 176.83 175.68 1u1e h HIS 240 N 0.08 0.72 0.00 4.77 2.76 -0.97 -2.39 115.15 120.12 1u1e h HIS 240 Ca 0.01 -0.12 -0.15 0.00 -2.20 0.00 0.00 60.37 57.91 1u1e h HIS 240 Cb 0.68 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1u1e h HIS 240 CO 0.00 0.74 -0.71 0.00 -1.30 0.00 0.00 177.93 176.66 1u1e h ALA 241 N 0.89 0.63 -0.59 5.26 0.00 -1.02 -3.04 119.26 121.39 1u1e h ALA 241 Ca 0.11 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1u1e h ALA 241 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1u1e h ALA 241 CO 0.02 0.89 0.05 0.28 0.00 0.00 0.00 179.25 180.49 1u1e h VAL 242 N 0.00 1.26 -0.55 0.00 2.07 -1.00 -2.00 116.25 116.03 1u1e h VAL 242 Ca -0.01 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 1u1e h VAL 242 Cb 1.43 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1u1e h VAL 242 CO 0.09 0.38 0.03 0.50 0.02 0.00 0.00 177.57 178.60 1u1e h LYS 243 N 0.92 0.91 -0.30 1.57 1.63 -1.41 -2.44 116.57 117.46 1u1e h LYS 243 Ca 0.18 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1u1e h LYS 243 Cb 0.46 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1u1e h LYS 243 CO 0.02 0.89 0.04 0.82 -3.45 0.00 0.00 179.45 177.76 1u1e h ILE 244 N 0.85 1.24 -0.31 2.00 2.04 -1.38 -1.78 117.51 120.17 1u1e h ILE 244 Ca 0.17 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 1u1e h ILE 244 Cb 0.46 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1u1e h ILE 244 CO 0.02 0.27 -0.19 1.62 0.00 0.00 0.00 178.15 179.87 1u1e h VAL 245 N 0.31 1.26 -0.36 1.67 3.04 -1.32 -0.58 116.25 120.27 1u1e h VAL 245 Ca 0.09 -1.19 -0.14 0.00 -1.01 0.00 0.00 66.70 64.44 1u1e h VAL 245 Cb 0.36 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1u1e h VAL 245 CO 0.01 0.39 -0.34 0.58 -1.01 0.00 0.00 177.57 177.19 1u1e h VAL 246 N 0.51 1.28 -0.37 1.51 2.07 -1.39 -1.14 116.25 118.71 1u1e h VAL 246 Ca 0.08 -1.51 -0.10 0.00 0.82 0.00 0.00 66.70 65.99 1u1e h VAL 246 Cb 0.61 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1u1e h VAL 246 CO 0.04 0.50 -0.18 -0.08 0.02 0.00 0.00 177.57 177.87 1u1e h GLU 247 N 0.65 0.70 -0.47 1.57 4.57 -1.14 -2.26 114.58 118.21 1u1e h GLU 247 Ca 0.06 -0.25 -0.11 0.00 -1.18 0.00 0.00 59.36 57.87 1u1e h GLU 247 Cb 0.93 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 1u1e h GLU 247 CO 0.09 0.84 -0.14 0.00 -1.18 0.00 0.00 179.01 178.61 1u1e h ALA 248 N 1.18 0.87 -0.42 2.92 0.00 -1.02 -2.72 119.26 120.07 1u1e h ALA 248 Ca 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1u1e h ALA 248 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1u1e h ALA 248 CO 0.05 0.64 0.23 0.00 0.00 0.00 0.00 179.25 180.17 1u1e h ALA 249 N 1.05 1.63 -0.30 0.00 0.00 -0.96 -1.94 119.26 118.74 1u1e h ALA 249 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1u1e h ALA 249 Cb 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1u1e h ALA 249 CO 0.05 0.32 0.04 -0.09 0.00 0.00 0.00 179.25 179.56 1u1e h ARG 250 N 0.58 0.44 0.00 0.00 2.43 -1.10 -2.74 114.38 113.99 1u1e h ARG 250 Ca 0.15 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1u1e h ARG 250 Cb 0.01 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1u1e h ARG 250 CO -0.03 0.44 -0.09 0.00 -1.51 0.00 0.00 179.97 178.78 1u1e h ARG 251 N 0.43 0.00 -0.15 0.20 3.08 -1.25 -3.31 114.38 113.38 1u1e h ARG 251 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1u1e h ARG 251 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1u1e h ARG 251 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1u1e n LEU 252 N -2.69 2.81 0.00 3.04 4.77 -1.05 -5.06 117.00 118.82 1u1e n LEU 252 Ca 0.04 -1.22 0.15 0.00 -0.03 0.00 0.00 56.01 54.95 1u1e n LEU 252 Cb 0.49 -0.09 0.90 0.00 -2.33 0.00 0.00 43.42 42.39 1u1e n LEU 252 CO 0.33 0.55 1.07 0.18 -1.33 0.00 0.00 177.39 178.19