#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 0.58 -4.65 -3.46 10.43 -0.77 -4.94 116.55 113.74 1u1e n ASP 5 Ca 0.00 -0.17 -0.25 0.00 2.57 0.00 0.00 54.79 56.94 1u1e n ASP 5 Cb 0.00 0.33 -0.09 0.00 1.84 0.00 0.00 41.12 43.21 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 -3.07 2.49 0.04 2.53 -7.23 -1.24 -5.05 120.40 108.87 1u1e s VAL 6 Ca 0.09 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.31 1u1e s VAL 6 Cb 0.16 -2.86 -0.28 0.00 0.56 0.00 0.00 36.38 33.96 1u1e s VAL 6 CO 0.73 -0.14 1.01 -0.26 -0.31 0.00 0.00 175.10 176.12 1u1e h PHE 7 N 1.73 0.44 0.00 2.82 0.05 -1.95 -3.41 116.94 116.62 1u1e h PHE 7 Ca -0.43 -0.32 -0.02 0.00 3.82 0.00 0.00 57.97 61.01 1u1e h PHE 7 Cb 1.25 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 39.18 1u1e h PHE 7 CO 0.69 1.31 -1.09 0.72 -0.18 0.00 0.00 178.31 179.76 1u1e n HIS 8 N -3.47 0.00 0.15 -0.55 8.25 -1.26 -4.80 115.22 113.54 1u1e n HIS 8 Ca -0.12 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.35 1u1e n HIS 8 Cb 1.03 -0.06 0.22 0.00 1.12 0.00 0.00 29.99 32.30 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 -0.01 0.00 -2.01 2.41 3.38 -1.92 -3.45 115.31 113.72 1u1e h LEU 9 Ca -0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1u1e h LEU 9 Cb 1.05 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.89 1u1e h LEU 9 CO -0.01 0.55 -0.42 0.61 0.09 0.00 0.00 178.44 179.26 1u1e n GLY 10 N 0.19 -0.03 3.09 0.83 0.00 -1.26 -4.67 105.19 103.35 1u1e n GLY 10 Ca -0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.29 2.29 0.27 0.99 1.43 -1.26 -4.80 118.68 113.30 1u1e s LEU 11 Ca 0.05 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1u1e s LEU 11 Cb -0.01 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1u1e s LEU 11 CO 0.39 -0.21 0.10 0.42 0.23 0.00 0.00 176.35 177.28 1u1e s THR 12 N -1.63 3.86 0.51 5.49 -4.23 -1.26 -1.84 115.64 116.54 1u1e s THR 12 Ca -0.06 -1.66 0.15 0.00 -1.18 0.00 0.00 61.69 58.95 1u1e s THR 12 Cb -0.08 -3.11 0.26 0.00 1.34 0.00 0.00 72.50 70.91 1u1e s THR 12 CO 0.00 -0.34 2.13 0.50 -0.54 0.00 0.00 174.62 176.37 1u1e h LYS 13 N 1.67 0.03 -0.01 3.99 3.64 -1.96 -2.40 116.57 121.52 1u1e h LYS 13 Ca -0.46 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.77 1u1e h LYS 13 Cb 1.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1u1e h LYS 13 CO 0.61 0.04 -0.68 -0.97 -2.27 0.00 0.00 179.45 176.18 1u1e h ASN 14 N 0.03 0.07 -0.02 4.20 -1.24 -1.95 -3.15 115.58 113.52 1u1e h ASN 14 Ca 0.01 -0.05 0.01 0.00 0.71 0.00 0.00 56.30 56.97 1u1e h ASN 14 Cb 0.03 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 1u1e h ASN 14 CO 0.00 0.73 0.02 0.44 -1.29 0.00 0.00 177.43 177.33 1u1e h ASP 15 N 0.04 0.00 1.52 1.15 3.45 -1.83 -2.60 116.42 118.15 1u1e h ASP 15 Ca -0.01 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.36 1u1e h ASP 15 Cb 1.20 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.96 1u1e h ASP 15 CO 0.09 0.00 -0.49 -0.07 -1.57 0.00 0.00 179.24 177.20 1u1e h LEU 16 N 0.00 0.00 2.07 1.55 4.07 -1.62 -3.48 115.31 117.90 1u1e h LEU 16 Ca 0.01 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.56 1u1e h LEU 16 Cb 0.04 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.80 1u1e h LEU 16 CO -0.00 0.42 -0.56 0.00 -1.08 0.00 0.00 178.44 177.22 1u1e n GLN 17 N -3.18 -3.15 -0.82 1.13 6.02 -0.98 -2.64 117.38 113.76 1u1e n GLN 17 Ca 0.02 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 57.96 1u1e n GLN 17 Cb 0.71 -5.71 0.00 0.00 1.02 0.00 0.00 30.24 26.26 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 -1.24 0.51 3.74 1.08 0.00 -1.26 -4.85 105.19 103.17 1u1e n GLY 18 Ca -0.18 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 3.54 -0.12 4.61 0.00 -1.08 -4.93 121.76 121.77 1u1e s ALA 19 Ca 0.00 1.15 0.10 0.00 0.00 0.00 0.00 51.96 53.21 1u1e s ALA 19 Cb 0.00 -3.49 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 1u1e s ALA 19 CO 0.00 -0.57 0.27 0.25 0.00 0.00 0.00 175.76 175.71 1u1e n THR 20 N 2.36 0.00 -4.41 0.00 -2.24 -1.26 -4.18 114.28 104.55 1u1e n THR 20 Ca 0.05 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 1u1e n THR 20 Cb 0.42 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.99 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 -3.43 3.31 -0.06 3.22 0.20 -1.26 -0.03 118.68 120.63 1u1e s LEU 21 Ca -0.02 -0.07 -0.02 0.00 0.69 0.00 0.00 54.13 54.70 1u1e s LEU 21 Cb 0.07 -1.87 0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1u1e s LEU 21 CO 0.42 0.29 0.13 0.00 -0.29 0.00 0.00 176.35 176.90 1u1e s ALA 22 N -1.00 -0.21 -0.17 5.97 0.00 -0.15 -2.23 121.76 123.97 1u1e s ALA 22 Ca 0.17 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 1u1e s ALA 22 Cb -0.11 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1u1e s ALA 22 CO 0.08 -0.14 0.60 0.42 0.00 0.00 0.00 175.76 176.71 1u1e s ILE 23 N 1.11 5.06 -0.48 0.00 1.01 0.12 -1.53 121.20 126.49 1u1e s ILE 23 Ca -0.09 1.15 0.04 0.00 0.00 0.00 0.00 60.65 61.75 1u1e s ILE 23 Cb -0.11 -3.92 0.12 0.00 0.01 0.00 0.00 42.46 38.56 1u1e s ILE 23 CO -0.05 0.17 0.22 0.68 0.00 0.00 0.00 174.94 175.95 1u1e s VAL 24 N 1.57 2.52 0.73 2.92 -7.23 0.39 -2.03 120.40 119.28 1u1e s VAL 24 Ca 0.29 -3.13 -0.12 0.00 -1.81 0.00 0.00 61.98 57.21 1u1e s VAL 24 Cb -0.16 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.04 1u1e s VAL 24 CO 0.11 -0.76 1.12 -2.16 -0.31 0.00 0.00 175.10 173.10 1u1e s PRO 25 N -0.05 2.60 -0.09 4.82 0.04 -1.23 -3.51 135.00 137.57 1u1e s PRO 25 Ca 0.16 0.36 -0.20 0.00 0.04 0.00 0.00 61.00 61.35 1u1e s PRO 25 Cb -0.25 -2.00 -0.28 0.00 0.04 0.00 0.00 34.50 32.01 1u1e s PRO 25 CO -0.02 -1.19 0.69 0.78 0.04 0.00 0.00 177.00 177.30 1u1e h GLY 26 N -0.77 0.25 -4.85 0.56 0.00 -1.82 -0.43 103.07 96.01 1u1e h GLY 26 Ca -0.45 -0.65 -0.57 0.00 0.00 0.00 0.00 47.33 45.66 1u1e h GLY 26 CO 0.64 0.57 0.65 -0.35 0.00 0.00 0.00 176.54 178.06 1u1e s ASP 27 N -6.90 7.19 0.59 0.19 2.15 -1.26 -1.74 116.67 116.88 1u1e s ASP 27 Ca -0.18 1.48 0.37 0.00 0.43 0.00 0.00 52.55 54.65 1u1e s ASP 27 Cb 0.02 -2.55 1.71 0.00 -0.30 0.00 0.00 42.92 41.80 1u1e s ASP 27 CO 0.77 -0.53 2.11 1.55 -0.17 0.00 0.00 175.17 178.90 1u1e h PRO 28 N 7.23 0.00 0.00 4.34 0.13 -1.89 -2.42 132.00 139.39 1u1e h PRO 28 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1u1e h PRO 28 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1u1e h PRO 28 CO 0.90 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 178.38 1u1e n ASP 29 N -3.07 0.51 0.01 1.44 8.00 -1.26 -3.25 116.55 118.92 1u1e n ASP 29 Ca -0.01 0.51 0.13 0.00 0.71 0.00 0.00 54.79 56.13 1u1e n ASP 29 Cb 0.23 -0.62 0.38 0.00 -0.02 0.00 0.00 41.12 41.08 1u1e n ASP 29 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1u1e n ARG 30 N -1.96 0.02 -0.20 -1.24 0.63 -0.91 -4.15 116.66 108.85 1u1e n ARG 30 Ca 0.06 0.01 -0.08 0.00 -0.92 0.00 0.00 57.85 56.92 1u1e n ARG 30 Cb 0.40 -1.52 0.05 0.00 0.45 0.00 0.00 32.46 31.84 1u1e n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1u1e h VAL 31 N 0.00 1.26 -0.33 5.15 2.07 -1.66 -2.49 116.25 120.25 1u1e h VAL 31 Ca 0.00 -1.12 -0.14 0.00 0.82 0.00 0.00 66.70 66.27 1u1e h VAL 31 Cb 0.52 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1u1e h VAL 31 CO 0.00 0.41 -0.34 -0.08 0.02 0.00 0.00 177.57 177.57 1u1e h GLU 32 N 0.96 0.74 -0.55 1.57 4.81 -1.80 -2.77 114.58 117.54 1u1e h GLU 32 Ca 0.18 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1u1e h GLU 32 Cb 0.53 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1u1e h GLU 32 CO 0.03 0.97 0.28 0.87 -0.73 0.00 0.00 179.01 180.43 1u1e h LYS 33 N 0.62 0.77 -0.26 1.92 1.57 -1.68 -0.74 116.57 118.77 1u1e h LYS 33 Ca 0.06 -0.10 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 1u1e h LYS 33 Cb 0.88 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1u1e h LYS 33 CO 0.08 0.61 -0.57 0.82 -0.57 0.00 0.00 179.45 179.82 1u1e h ILE 34 N 0.73 1.28 0.00 1.86 2.04 -1.51 -3.20 117.51 118.71 1u1e h ILE 34 Ca 0.19 -1.77 -0.08 0.00 1.00 0.00 0.00 64.86 64.21 1u1e h ILE 34 Cb 0.08 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1u1e h ILE 34 CO -0.03 0.57 -0.38 0.00 0.00 0.00 0.00 178.15 178.32 1u1e h ALA 35 N 0.71 1.36 0.00 1.87 0.00 -1.31 -2.59 119.26 119.30 1u1e h ALA 35 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1u1e h ALA 35 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1u1e h ALA 35 CO 0.12 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1u1e h ALA 36 N 1.62 1.00 0.00 0.00 0.00 -1.13 -2.88 119.26 117.87 1u1e h ALA 36 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1u1e h ALA 36 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1u1e h ALA 36 CO 0.05 0.00 -0.13 -0.07 0.00 0.00 0.00 179.25 179.10 1u1e h LEU 37 N 0.00 0.00-10.17 0.00 4.07 -1.47 -3.46 115.31 104.29 1u1e h LEU 37 Ca 0.00 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.45 1u1e h LEU 37 Cb 0.65 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.35 1u1e h LEU 37 CO 0.00 0.13 -0.38 -0.04 -1.08 0.00 0.00 178.44 177.07 1u1e s MET 38 N -3.48 2.47 0.32 1.13 -1.94 -1.09 -5.11 119.30 111.62 1u1e s MET 38 Ca 0.03 -1.61 -0.27 0.00 -1.71 0.00 0.00 55.69 52.12 1u1e s MET 38 Cb 0.08 -2.32 -0.09 0.00 2.01 0.00 0.00 34.83 34.51 1u1e s MET 38 CO 0.63 -0.23 1.04 -0.51 -0.01 0.00 0.00 175.02 175.94 1u1e s ASP 39 N -4.13 7.14 -0.67 3.03 1.01 -0.54 -4.41 116.67 118.10 1u1e s ASP 39 Ca 0.47 2.10 -0.06 0.00 0.71 0.00 0.00 52.55 55.76 1u1e s ASP 39 Cb -0.02 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1u1e s ASP 39 CO 0.27 -0.22 0.66 0.29 0.21 0.00 0.00 175.17 176.38 1u1e n LYS 40 N 0.70 -1.64 -2.64 8.23 5.02 -1.26 0.43 118.16 127.01 1u1e n LYS 40 Ca 0.01 1.50 -0.43 0.00 -2.02 0.00 0.00 58.31 57.37 1u1e n LYS 40 Cb 0.47 -4.85 -0.02 0.00 -0.02 0.00 0.00 35.03 30.61 1u1e n LYS 40 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1u1e s PRO 41 N -3.22 4.16 -0.07 1.97 0.02 -1.26 -4.07 135.00 132.52 1u1e s PRO 41 Ca 0.08 1.23 0.02 0.00 0.02 0.00 0.00 61.00 62.35 1u1e s PRO 41 Cb -0.02 -3.70 0.02 0.00 0.02 0.00 0.00 34.50 30.82 1u1e s PRO 41 CO 0.79 -0.78 -0.11 0.08 -0.33 0.00 0.00 177.00 176.66 1u1e s VAL 42 N 3.46 1.06 0.10 3.83 1.01 0.18 -5.00 120.40 125.04 1u1e s VAL 42 Ca 0.45 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1u1e s VAL 42 Cb -0.14 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 1u1e s VAL 42 CO 0.11 0.35 1.11 -0.75 0.00 0.00 0.00 175.10 175.92 1u1e s LYS 43 N 0.85 4.53 -0.12 2.72 2.20 -1.26 -0.27 119.74 128.39 1u1e s LYS 43 Ca -0.11 1.67 -0.13 0.00 -0.36 0.00 0.00 55.97 57.04 1u1e s LYS 43 Cb -0.15 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1u1e s LYS 43 CO 0.01 -0.08 -0.26 1.28 -0.36 0.00 0.00 175.35 175.94 1u1e n LEU 44 N 3.29 1.72 -3.67 5.43 4.77 -0.44 -4.92 117.00 123.19 1u1e n LEU 44 Ca 0.06 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1u1e n LEU 44 Cb 0.47 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1u1e n LEU 44 CO 0.54 -0.35 0.16 0.00 -1.33 0.00 0.00 177.39 176.42 1u1e s ALA 45 N -2.67 -1.08 -0.32 -1.18 0.00 -1.20 -5.02 121.76 110.28 1u1e s ALA 45 Ca -0.22 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 1u1e s ALA 45 Cb 0.03 0.16 0.12 0.00 0.00 0.00 0.00 23.12 23.44 1u1e s ALA 45 CO 0.33 -0.36 0.17 0.45 0.00 0.00 0.00 175.76 176.35 1u1e s SER 46 N -1.55 3.23 -0.07 0.00 0.15 -1.26 -0.96 113.70 113.24 1u1e s SER 46 Ca -0.10 -1.79 0.03 0.00 0.70 0.00 0.00 55.95 54.79 1u1e s SER 46 Cb -0.02 -0.38 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 1u1e s SER 46 CO 0.03 -0.37 -0.15 -1.00 1.20 0.00 0.00 173.24 172.95 1u1e s HIS 47 N 1.53 1.72 0.00 3.44 3.76 -0.57 -4.99 115.29 120.18 1u1e s HIS 47 Ca 0.14 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1u1e s HIS 47 Cb -0.20 -1.21 0.00 0.00 1.11 0.00 0.00 32.58 32.28 1u1e s HIS 47 CO -0.16 -0.28 0.00 0.54 -0.85 0.00 0.00 174.74 173.99 1u1e n ARG 48 N 3.63 0.00 -0.00 1.40 1.74 -1.26 -1.10 116.66 121.07 1u1e n ARG 48 Ca -0.21 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 56.99 1u1e n ARG 48 Cb 0.52 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 32.21 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 2.09 -3.34 5.56 0.00 -1.26 -4.85 120.64 132.84 1u1e n GLU 49 Ca 0.00 -1.59 -0.44 0.00 0.00 0.00 0.00 57.16 55.13 1u1e n GLU 49 Cb 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 31.44 29.90 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 -2.00 3.19 -0.14 -1.84 0.40 -0.26 -4.33 117.98 113.01 1u1e s PHE 50 Ca 0.32 -0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1u1e s PHE 50 Cb 0.20 -3.16 -0.02 0.00 0.51 0.00 0.00 43.02 40.56 1u1e s PHE 50 CO 0.31 -0.82 -0.10 0.99 0.70 0.00 0.00 175.22 176.31 1u1e s THR 51 N 1.91 3.32 -0.09 0.64 2.01 -1.26 -1.51 115.64 120.66 1u1e s THR 51 Ca 0.07 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1u1e s THR 51 Cb -0.22 -2.42 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 1u1e s THR 51 CO 0.09 0.51 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.40 1u1e s THR 52 N 0.35 2.05 -0.03 -0.82 2.01 -0.13 -1.75 115.64 117.31 1u1e s THR 52 Ca -0.09 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 60.94 1u1e s THR 52 Cb -0.15 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1u1e s THR 52 CO 0.05 0.56 -0.16 0.26 -0.69 0.00 0.00 174.62 174.64 1u1e s TRP 53 N 0.29 1.50 -0.07 4.92 0.52 0.66 -1.32 118.94 125.44 1u1e s TRP 53 Ca -0.17 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 55.54 1u1e s TRP 53 Cb -0.17 -1.00 -0.04 0.00 -1.15 0.00 0.00 33.47 31.10 1u1e s TRP 53 CO 0.08 -0.11 0.10 0.50 0.02 0.00 0.00 176.95 177.54 1u1e s ARG 54 N -0.09 3.24 0.33 4.98 3.52 0.63 -0.33 118.95 131.23 1u1e s ARG 54 Ca -0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 1u1e s ARG 54 Cb -0.09 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1u1e s ARG 54 CO 0.01 0.72 0.41 0.00 -0.81 0.00 0.00 175.30 175.63 1u1e s ALA 55 N -1.06 1.08 -0.08 6.12 0.00 -0.10 -0.65 121.76 127.08 1u1e s ALA 55 Ca 0.18 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1u1e s ALA 55 Cb -0.12 1.25 0.01 0.00 0.00 0.00 0.00 23.12 24.27 1u1e s ALA 55 CO 0.07 -0.75 -0.15 -2.00 0.00 0.00 0.00 175.76 172.94 1u1e s GLU 56 N -3.21 2.00 -0.15 0.00 2.12 0.17 -0.16 118.70 119.46 1u1e s GLU 56 Ca 0.34 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.16 1u1e s GLU 56 Cb 0.01 -1.63 0.03 0.00 0.26 0.00 0.00 34.13 32.80 1u1e s GLU 56 CO 0.22 0.04 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.67 1u1e s LEU 57 N 0.67 1.74 -1.45 2.70 2.96 0.82 -1.47 118.68 124.65 1u1e s LEU 57 Ca -0.14 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1u1e s LEU 57 Cb -0.16 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.38 1u1e s LEU 57 CO 0.04 -0.07 0.23 0.47 -1.32 0.00 0.00 176.35 175.70 1u1e n ASP 58 N 4.77 -5.10 0.00 3.68 10.43 -1.26 -1.50 116.55 127.58 1u1e n ASP 58 Ca -0.16 -0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.11 1u1e n ASP 58 Cb 0.49 -4.22 0.00 0.00 1.84 0.00 0.00 41.12 39.23 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 -1.12 0.38 3.04 0.44 0.00 -1.26 -5.05 105.19 101.61 1u1e n GLY 59 Ca -0.15 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.26 1.14 0.24 1.61 1.02 -0.56 -5.12 119.74 115.80 1u1e s LYS 60 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1u1e s LYS 60 Cb 0.00 -1.04 -0.10 0.00 -0.52 0.00 0.00 37.83 36.17 1u1e s LYS 60 CO 0.00 0.15 1.39 -1.25 -0.92 0.00 0.00 175.35 174.73 1u1e s PRO 61 N 0.12 4.31 -0.02 -1.68 0.04 -1.26 -0.13 135.00 136.38 1u1e s PRO 61 Ca -0.03 2.23 0.02 0.00 0.04 0.00 0.00 61.00 63.26 1u1e s PRO 61 Cb -0.09 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1u1e s PRO 61 CO 0.01 -0.35 -0.08 0.08 0.04 0.00 0.00 177.00 176.70 1u1e s VAL 62 N -0.06 0.66 -0.10 -0.36 1.01 0.78 -4.48 120.40 117.85 1u1e s VAL 62 Ca 0.58 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1u1e s VAL 62 Cb -0.40 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1u1e s VAL 62 CO 0.43 0.21 0.17 -0.63 0.00 0.00 0.00 175.10 175.27 1u1e s ILE 63 N 0.16 5.46 -0.16 2.22 -1.09 -0.94 -0.92 121.20 125.92 1u1e s ILE 63 Ca -0.02 0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 1u1e s ILE 63 Cb -0.07 -3.44 0.02 0.00 -1.58 0.00 0.00 42.46 37.39 1u1e s ILE 63 CO 0.00 0.59 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.45 1u1e s VAL 64 N -1.06 1.75 -0.03 2.92 1.01 0.55 -0.70 120.40 124.83 1u1e s VAL 64 Ca 0.17 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1u1e s VAL 64 Cb -0.12 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1u1e s VAL 64 CO 0.06 0.45 -0.01 0.00 0.00 0.00 0.00 175.10 175.61 1u1e s SER 66 N 0.95 7.37 0.06 0.00 1.04 -0.72 -3.57 113.70 118.84 1u1e s SER 66 Ca -0.10 2.07 0.22 0.00 0.48 0.00 0.00 55.95 58.62 1u1e s SER 66 Cb -0.13 -2.61 -0.20 0.00 0.10 0.00 0.00 66.02 63.18 1u1e s SER 66 CO -0.01 -0.10 0.69 0.35 0.98 0.00 0.00 173.24 175.15 1u1e n THR 67 N 1.94 0.33 -0.20 2.02 -2.24 -0.17 -4.38 114.28 111.57 1u1e n THR 67 Ca 0.01 -0.54 0.03 0.00 -2.27 0.00 0.00 64.05 61.28 1u1e n THR 67 Cb 0.46 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.25 -1.41 3.70 3.38 0.00 -0.71 -3.22 105.19 108.17 1u1e n GLY 68 Ca -0.04 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.25 4.88 0.00 -0.61 1.01 -1.26 -4.63 121.20 119.33 1u1e s ILE 69 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1u1e s ILE 69 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1u1e s ILE 69 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.65 1u1e n GLY 70 N 3.12 2.28 0.21 6.18 0.00 -1.24 -4.72 105.19 111.01 1u1e n GLY 70 Ca 0.05 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.14 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 0.70 0.15 -0.02 0.00 -1.87 -2.88 103.07 99.15 1u1e h GLY 71 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.24 1u1e h GLY 71 CO 0.00 0.08 -0.21 -2.55 0.00 0.00 0.00 176.54 173.86 1u1e h PRO 72 N 0.46 -0.19 0.00 4.80 0.11 -1.95 0.31 132.00 135.54 1u1e h PRO 72 Ca 0.23 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.21 1u1e h PRO 72 Cb 0.17 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1u1e h PRO 72 CO -0.18 -0.13 -0.67 0.66 -0.21 0.00 0.00 178.00 177.47 1u1e h SER 73 N -0.20 0.00 -0.59 -2.05 4.64 -1.80 -2.86 113.55 110.70 1u1e h SER 73 Ca 0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1u1e h SER 73 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1u1e h SER 73 CO -0.40 0.67 0.33 0.74 -0.87 0.00 0.00 176.83 177.30 1u1e h THR 74 N 0.00 1.19 -0.43 2.95 2.02 -1.23 -1.11 112.91 116.30 1u1e h THR 74 Ca -0.01 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1u1e h THR 74 Cb 1.38 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1u1e h THR 74 CO 0.09 0.20 0.02 0.77 0.37 0.00 0.00 175.52 176.96 1u1e h SER 75 N 0.79 0.66 -0.07 4.18 4.64 -0.32 -0.22 113.55 123.22 1u1e h SER 75 Ca 0.21 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1u1e h SER 75 Cb 0.03 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1u1e h SER 75 CO -0.04 0.72 -0.00 0.40 -0.87 0.00 0.00 176.83 177.04 1u1e h ILE 76 N 0.66 1.25 -0.17 0.95 2.04 -1.32 -2.47 117.51 118.46 1u1e h ILE 76 Ca 0.14 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1u1e h ILE 76 Cb 0.39 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1u1e h ILE 76 CO 0.01 0.22 0.09 0.00 0.00 0.00 0.00 178.15 178.47 1u1e h ALA 77 N 0.72 0.22 -0.43 1.87 0.00 -0.97 -2.05 119.26 118.62 1u1e h ALA 77 Ca 0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1u1e h ALA 77 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u1e h ALA 77 CO 0.00 -0.23 -0.19 0.28 0.00 0.00 0.00 179.25 179.11 1u1e h VAL 78 N 0.16 1.28 -0.33 0.00 2.07 -1.12 -1.27 116.25 117.03 1u1e h VAL 78 Ca 0.06 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1u1e h VAL 78 Cb 0.10 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1u1e h VAL 78 CO -0.01 0.45 0.14 -0.08 0.02 0.00 0.00 177.57 178.10 1u1e h GLU 79 N 0.72 0.49 -0.01 1.57 4.57 -1.44 -0.91 114.58 119.56 1u1e h GLU 79 Ca 0.10 -0.08 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1u1e h GLU 79 Cb 0.75 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1u1e h GLU 79 CO 0.06 0.47 -0.57 0.93 -1.18 0.00 0.00 179.01 178.72 1u1e h GLU 80 N 0.39 0.03 -0.20 1.92 5.08 -1.31 -1.41 114.58 119.08 1u1e h GLU 80 Ca 0.11 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1u1e h GLU 80 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1u1e h GLU 80 CO -0.01 0.60 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.98 1u1e h LEU 81 N 0.03 0.67 -0.90 1.33 3.38 -1.14 -2.71 115.31 115.96 1u1e h LEU 81 Ca -0.01 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1u1e h LEU 81 Cb 1.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1u1e h LEU 81 CO 0.08 1.08 -0.03 0.00 0.09 0.00 0.00 178.44 179.66 1u1e h ALA 82 N 0.94 1.09 -0.32 1.53 0.00 -0.85 -1.00 119.26 120.64 1u1e h ALA 82 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1u1e h ALA 82 Cb 1.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1u1e h ALA 82 CO 0.11 0.57 0.10 1.96 0.00 0.00 0.00 179.25 181.99 1u1e h GLN 83 N 0.72 0.45 0.00 0.00 4.20 -1.21 -2.69 115.11 116.58 1u1e h GLN 83 Ca 0.14 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1u1e h GLN 83 Cb 0.48 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1u1e h GLN 83 CO 0.02 0.40 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.39 1u1e h LEU 84 N 0.45 0.00 0.00 1.46 3.38 -1.06 -3.47 115.31 116.06 1u1e h LEU 84 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1u1e h LEU 84 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1u1e h LEU 84 CO -0.01 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1u1e n GLY 85 N 1.19 0.27 3.71 0.83 0.00 -0.73 -4.79 105.19 105.67 1u1e n GLY 85 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.19 3.92 -0.02 -0.61 -1.09 -0.46 -4.52 121.20 117.22 1u1e s ILE 86 Ca 0.00 1.38 0.05 0.00 -2.23 0.00 0.00 60.65 59.84 1u1e s ILE 86 Cb 0.00 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 36.93 1u1e s ILE 86 CO 0.00 0.10 0.07 0.54 -1.23 0.00 0.00 174.94 174.42 1u1e n ARG 87 N 4.02 1.42 -4.35 2.79 5.12 0.95 -4.13 116.66 122.48 1u1e n ARG 87 Ca 0.09 -0.03 -0.34 0.00 -1.93 0.00 0.00 57.85 55.65 1u1e n ARG 87 Cb 0.46 -1.12 -0.15 0.00 -1.16 0.00 0.00 32.46 30.49 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 -2.26 2.87 -0.20 0.55 2.01 -0.63 -1.21 115.64 116.78 1u1e s THR 88 Ca -0.02 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1u1e s THR 88 Cb 0.03 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1u1e s THR 88 CO 0.21 0.49 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.10 1u1e s PHE 89 N 0.96 2.86 -0.27 4.92 0.40 0.39 -0.97 117.98 126.28 1u1e s PHE 89 Ca -0.02 -1.66 -0.03 0.00 -0.60 0.00 0.00 56.93 54.63 1u1e s PHE 89 Cb -0.15 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.47 1u1e s PHE 89 CO -0.02 -0.79 -0.02 -0.51 0.70 0.00 0.00 175.22 174.58 1u1e s LEU 90 N 1.29 3.43 -0.08 -0.37 1.43 -0.58 -0.96 118.68 122.84 1u1e s LEU 90 Ca 0.03 -0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 52.04 1u1e s LEU 90 Cb -0.14 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1u1e s LEU 90 CO -0.11 -0.16 0.52 -0.60 0.23 0.00 0.00 176.35 176.23 1u1e s ARG 91 N 1.35 4.30 -0.15 1.70 3.52 0.28 -0.47 118.95 129.48 1u1e s ARG 91 Ca -0.00 0.55 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 1u1e s ARG 91 Cb -0.17 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1u1e s ARG 91 CO -0.03 0.25 -0.21 -1.50 -0.81 0.00 0.00 175.30 173.00 1u1e s ILE 92 N 0.29 2.01 0.18 4.11 -1.16 -1.23 -0.91 121.20 124.49 1u1e s ILE 92 Ca 0.28 -0.94 0.04 0.00 -0.51 0.00 0.00 60.65 59.52 1u1e s ILE 92 Cb -0.16 -1.79 -0.01 0.00 0.61 0.00 0.00 42.46 41.10 1u1e s ILE 92 CO 0.13 0.54 0.14 0.61 -2.81 0.00 0.00 174.94 173.54 1u1e n GLY 93 N 4.26 3.47 3.77 1.50 0.00 -0.46 -4.03 105.19 113.69 1u1e n GLY 93 Ca -0.20 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 1u1e n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1e s THR 94 N -2.65 4.14 0.09 2.61 -4.23 -1.26 -1.62 115.64 112.71 1u1e s THR 94 Ca 0.19 -1.53 -0.16 0.00 -1.18 0.00 0.00 61.69 59.01 1u1e s THR 94 Cb 0.01 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.66 1u1e s THR 94 CO 0.14 -0.33 0.38 0.28 -0.54 0.00 0.00 174.62 174.54 1u1e s THR 95 N -2.15 0.07 -0.29 3.99 -1.32 -0.67 -4.80 115.64 110.47 1u1e s THR 95 Ca 0.32 -0.60 -0.05 0.00 -1.21 0.00 0.00 61.69 60.15 1u1e s THR 95 Cb -0.08 -1.08 0.02 0.00 -1.51 0.00 0.00 72.50 69.85 1u1e s THR 95 CO 0.23 -0.33 0.05 -0.83 -2.21 0.00 0.00 174.62 171.53 1u1e s GLY 96 N -2.46 1.76 0.40 6.08 0.00 -1.13 -2.57 107.32 109.39 1u1e s GLY 96 Ca -0.01 -1.54 -0.24 0.00 0.00 0.00 0.00 44.72 42.93 1u1e s GLY 96 CO -0.08 0.65 1.06 0.00 0.00 0.00 0.00 173.10 174.73 1u1e s ALA 97 N 1.42 3.10 -0.38 3.20 0.00 0.04 -1.27 121.76 127.85 1u1e s ALA 97 Ca 0.00 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.71 1u1e s ALA 97 Cb -0.18 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1u1e s ALA 97 CO 0.01 -0.23 0.58 0.44 0.00 0.00 0.00 175.76 176.56 1u1e n ILE 98 N -0.04 0.00 -3.75 0.00 -5.35 0.24 -0.41 119.36 110.05 1u1e n ILE 98 Ca 0.05 -0.50 -0.36 0.00 -0.27 0.00 0.00 62.75 61.67 1u1e n ILE 98 Cb 0.49 1.06 -0.07 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 -0.31 3.88 0.51 6.28 -1.52 -1.22 -4.78 119.66 122.50 1u1e s GLN 99 Ca 0.04 -0.11 0.25 0.00 -1.95 0.00 0.00 55.36 53.58 1u1e s GLN 99 Cb 0.03 -3.32 1.39 0.00 -0.22 0.00 0.00 33.01 30.89 1u1e s GLN 99 CO 0.04 0.51 2.07 -1.35 -0.25 0.00 0.00 175.29 176.31 1u1e h PRO 100 N 5.88 0.00 0.00 2.91 0.11 -1.96 -2.75 132.00 136.20 1u1e h PRO 100 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u1e h PRO 100 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u1e h PRO 100 CO 0.68 0.13 -0.05 1.12 -0.21 0.00 0.00 178.00 179.66 1u1e h HIS 101 N 0.00 0.00 -3.49 0.65 2.07 -2.01 -3.43 115.15 108.93 1u1e h HIS 101 Ca -0.00 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 56.91 1u1e h HIS 101 Cb 0.31 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 30.18 1u1e h HIS 101 CO 0.00 0.00 0.22 0.42 -3.07 0.00 0.00 177.93 175.50 1u1e s ILE 102 N -3.15 4.90 0.42 6.12 1.01 -1.04 -5.06 121.20 124.41 1u1e s ILE 102 Ca 0.09 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1u1e s ILE 102 Cb 0.09 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 1u1e s ILE 102 CO 0.63 -0.15 0.64 0.20 0.00 0.00 0.00 174.94 176.27 1u1e s ASN 103 N 1.61 5.97 0.21 3.58 0.02 -1.26 -4.87 114.94 120.20 1u1e s ASN 103 Ca 0.27 0.35 -0.31 0.00 -1.02 0.00 0.00 52.86 52.15 1u1e s ASN 103 Cb -0.15 -1.69 -0.10 0.00 0.02 0.00 0.00 41.25 39.33 1u1e s ASN 103 CO 0.11 -0.58 1.54 -0.69 0.02 0.00 0.00 177.10 177.50 1u1e s VAL 104 N -2.49 2.52 0.00 1.60 1.01 -1.26 -2.45 120.40 119.33 1u1e s VAL 104 Ca 0.46 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1u1e s VAL 104 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1u1e s VAL 104 CO 0.38 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1u1e n GLY 105 N 3.03 2.44 3.75 4.51 0.00 0.56 -5.02 105.19 114.45 1u1e n GLY 105 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.46 4.50 -0.09 1.61 1.11 -1.02 -4.73 116.67 116.59 1u1e s ASP 106 Ca 0.00 2.02 0.00 0.00 0.18 0.00 0.00 52.55 54.75 1u1e s ASP 106 Cb 0.00 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.42 1u1e s ASP 106 CO 0.00 -2.04 -0.08 0.54 1.18 0.00 0.00 175.17 174.77 1u1e s VAL 107 N -2.52 3.56 -0.14 -1.27 0.11 -0.47 -1.17 120.40 118.50 1u1e s VAL 107 Ca 0.66 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 1u1e s VAL 107 Cb -0.21 -2.48 0.01 0.00 -1.53 0.00 0.00 36.38 32.17 1u1e s VAL 107 CO 0.49 0.56 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.85 1u1e s LEU 108 N -0.36 2.17 -0.21 2.54 1.43 -0.20 -1.76 118.68 122.29 1u1e s LEU 108 Ca 0.05 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 1u1e s LEU 108 Cb -0.12 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1u1e s LEU 108 CO 0.02 0.09 0.10 -0.69 0.23 0.00 0.00 176.35 176.10 1u1e s VAL 109 N 0.78 4.98 -0.26 -1.59 1.01 -0.71 -1.58 120.40 123.02 1u1e s VAL 109 Ca -0.08 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1u1e s VAL 109 Cb -0.16 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1u1e s VAL 109 CO -0.01 0.41 0.45 -0.89 0.00 0.00 0.00 175.10 175.05 1u1e s THR 110 N 0.75 5.12 0.01 3.92 2.01 -0.83 -2.18 115.64 124.43 1u1e s THR 110 Ca 0.05 0.73 -0.18 0.00 0.31 0.00 0.00 61.69 62.60 1u1e s THR 110 Cb -0.13 -3.76 -0.31 0.00 0.01 0.00 0.00 72.50 68.31 1u1e s THR 110 CO 0.02 0.13 1.01 0.71 -0.69 0.00 0.00 174.62 175.80 1u1e h THR 111 N 5.38 1.38 -2.84 -0.82 1.35 -1.55 -3.41 112.91 112.39 1u1e h THR 111 Ca -0.30 -2.48 0.02 0.00 -0.55 0.00 0.00 66.41 63.10 1u1e h THR 111 Cb 1.15 2.92 -0.12 0.00 -1.73 0.00 0.00 68.15 70.38 1u1e h THR 111 CO 0.68 0.73 0.27 0.00 -0.25 0.00 0.00 175.52 176.96 1u1e s ALA 112 N -2.75 -1.61 0.02 6.62 0.00 -1.26 -0.71 121.76 122.06 1u1e s ALA 112 Ca -0.11 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.44 1u1e s ALA 112 Cb 0.03 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1u1e s ALA 112 CO 0.89 -0.79 -0.25 -1.12 0.00 0.00 0.00 175.76 174.50 1u1e s SER 113 N -2.72 3.24 -0.02 0.00 0.01 -0.31 -2.02 113.70 111.88 1u1e s SER 113 Ca 0.03 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1u1e s SER 113 Cb -0.01 -0.37 -0.05 0.00 0.21 0.00 0.00 66.02 65.79 1u1e s SER 113 CO -0.10 0.29 1.40 -0.69 0.41 0.00 0.00 173.24 174.54 1u1e s VAL 114 N -0.74 3.78 -1.05 3.43 1.01 0.14 -4.32 120.40 122.65 1u1e s VAL 114 Ca 0.11 1.13 -0.18 0.00 0.00 0.00 0.00 61.98 63.05 1u1e s VAL 114 Cb -0.10 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.68 1u1e s VAL 114 CO 0.01 -0.02 1.30 -0.13 0.00 0.00 0.00 175.10 176.27 1u1e s ARG 115 N 2.60 3.76 -0.44 2.72 0.52 -1.26 -1.60 118.95 125.25 1u1e s ARG 115 Ca 0.63 -1.91 0.04 0.00 -0.52 0.00 0.00 55.73 53.97 1u1e s ARG 115 Cb -0.30 -5.07 0.63 0.00 0.52 0.00 0.00 34.95 30.73 1u1e s ARG 115 CO 0.25 -1.87 1.86 1.28 0.02 0.00 0.00 175.30 176.84 1u1e n LEU 116 N 6.78 6.43 -4.69 2.53 4.77 -0.67 -4.96 117.00 127.19 1u1e n LEU 116 Ca 0.31 -3.69 -0.29 0.00 -0.03 0.00 0.00 56.01 52.31 1u1e n LEU 116 Cb 0.47 -0.82 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 1u1e n LEU 116 CO 0.58 1.12 -0.25 1.51 -1.33 0.00 0.00 177.39 179.02 1u1e s ASP 117 N -1.53 4.06 -0.15 -1.43 -4.77 -1.22 -1.77 116.67 109.87 1u1e s ASP 117 Ca 0.56 -1.39 0.13 0.00 -3.30 0.00 0.00 52.55 48.55 1u1e s ASP 117 Cb 0.47 -0.15 -0.18 0.00 -1.09 0.00 0.00 42.92 41.97 1u1e s ASP 117 CO 0.08 -0.59 0.05 0.61 0.70 0.00 0.00 175.17 176.02 1u1e n GLY 118 N -1.12 -0.72 0.17 2.12 0.00 -1.26 -4.65 105.19 99.73 1u1e n GLY 118 Ca -0.08 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 0.71 1.20 -0.42 4.61 0.00 -1.98 -2.86 119.26 120.53 1u1e h ALA 119 Ca -0.40 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.07 1u1e h ALA 119 Cb 1.91 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1u1e h ALA 119 CO 0.02 0.57 0.19 0.66 0.00 0.00 0.00 179.25 180.70 1u1e h SER 120 N 0.00 0.52 0.52 0.00 4.64 -1.86 -2.16 113.55 115.20 1u1e h SER 120 Ca -0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1u1e h SER 120 Cb 0.83 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1u1e h SER 120 CO 0.06 0.45 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.36 1u1e h LEU 121 N 0.58 0.00 0.00 5.97 3.38 -1.62 -1.90 115.31 121.72 1u1e h LEU 121 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1u1e h LEU 121 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1u1e h LEU 121 CO -0.02 0.04 0.00 1.41 0.09 0.00 0.00 178.44 179.96 1u1e n HIS 122 N -3.23 0.00 0.00 1.13 8.25 -0.81 -3.81 115.22 116.75 1u1e n HIS 122 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1u1e n HIS 122 Cb 0.21 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.18 0.00 -3.65 4.41 3.01 -0.82 -5.09 117.46 114.15 1u1e n PHE 123 Ca 0.17 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.48 1u1e n PHE 123 Cb 0.18 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.89 -1.43 0.86 4.37 0.00 -0.78 -5.01 121.76 117.87 1u1e s ALA 124 Ca 0.00 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 1u1e s ALA 124 Cb 0.00 -0.62 0.11 0.00 0.00 0.00 0.00 23.12 22.61 1u1e s ALA 124 CO 0.00 -0.29 1.16 -1.25 0.00 0.00 0.00 175.76 175.38 1u1e s PRO 125 N -0.22 1.38 0.47 0.00 0.04 -1.26 -3.89 135.00 131.51 1u1e s PRO 125 Ca -0.04 1.60 0.21 0.00 0.04 0.00 0.00 61.00 62.81 1u1e s PRO 125 Cb -0.03 -1.76 1.21 0.00 0.04 0.00 0.00 34.50 33.95 1u1e s PRO 125 CO 0.03 -2.38 1.92 1.25 0.04 0.00 0.00 177.00 177.87 1u1e h LEU 126 N -1.41 0.24 -2.02 -3.56 5.85 -1.93 -0.84 115.31 111.64 1u1e h LEU 126 Ca -0.44 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1u1e h LEU 126 Cb 1.28 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1u1e h LEU 126 CO 0.44 0.12 -0.09 1.05 -0.34 0.00 0.00 178.44 179.62 1u1e h GLU 127 N 0.25 0.00 -6.57 1.25 9.09 -2.03 -3.42 114.58 113.15 1u1e h GLU 127 Ca 0.36 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.25 1u1e h GLU 127 Cb 1.06 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 28.19 1u1e h GLU 127 CO -0.08 0.09 0.74 0.12 0.05 0.00 0.00 179.01 179.93 1u1e s PHE 128 N -4.20 3.21 0.06 2.06 2.19 -0.32 -4.98 117.98 116.01 1u1e s PHE 128 Ca -0.03 0.93 -0.30 0.00 0.33 0.00 0.00 56.93 57.86 1u1e s PHE 128 Cb 0.13 -3.71 -0.05 0.00 -1.31 0.00 0.00 43.02 38.08 1u1e s PHE 128 CO 0.56 -2.50 1.09 -1.25 1.83 0.00 0.00 175.22 174.96 1u1e s PRO 129 N 0.98 4.52 -1.31 10.12 0.04 -1.26 -4.94 135.00 143.15 1u1e s PRO 129 Ca 0.65 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 1u1e s PRO 129 Cb -0.38 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1u1e s PRO 129 CO 0.31 -0.10 2.28 0.00 0.04 0.00 0.00 177.00 179.54 1u1e n ALA 130 N 3.57 5.37 -2.69 8.56 0.00 -1.26 -4.76 120.51 129.30 1u1e n ALA 130 Ca 0.06 -3.59 -0.37 0.00 0.00 0.00 0.00 53.44 49.53 1u1e n ALA 130 Cb 0.48 -3.50 -0.06 0.00 0.00 0.00 0.00 19.45 16.37 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 3.41 5.27 0.56 0.00 0.11 -1.26 -1.16 120.40 127.33 1u1e s VAL 131 Ca 0.52 0.52 -0.15 0.00 -2.93 0.00 0.00 61.98 59.94 1u1e s VAL 131 Cb 0.14 -3.56 -0.06 0.00 -1.53 0.00 0.00 36.38 31.38 1u1e s VAL 131 CO -0.04 0.60 1.01 0.00 -3.33 0.00 0.00 175.10 173.34 1u1e s ALA 132 N -1.03 2.99 0.24 1.54 0.00 0.11 -4.69 121.76 120.92 1u1e s ALA 132 Ca 0.19 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 1u1e s ALA 132 Cb -0.14 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 1u1e s ALA 132 CO 0.09 -0.50 1.38 0.34 0.00 0.00 0.00 175.76 177.07 1u1e s ASP 133 N -3.28 6.75 0.20 0.00 2.15 0.55 -4.93 116.67 118.11 1u1e s ASP 133 Ca 0.59 2.58 -0.10 0.00 0.43 0.00 0.00 52.55 56.05 1u1e s ASP 133 Cb -0.12 -2.62 0.13 0.00 -0.30 0.00 0.00 42.92 40.01 1u1e s ASP 133 CO 0.38 -0.62 1.80 0.15 -0.17 0.00 0.00 175.17 176.71 1u1e h PHE 134 N 4.94 1.00 -0.52 -5.34 3.04 -1.96 -0.48 116.94 117.63 1u1e h PHE 134 Ca -0.46 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.37 1u1e h PHE 134 Cb 1.22 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1u1e h PHE 134 CO 0.60 0.72 -0.02 0.93 -2.02 0.00 0.00 178.31 178.52 1u1e h GLU 135 N 0.99 0.94 -0.08 1.11 5.08 -1.95 0.03 114.58 120.69 1u1e h GLU 135 Ca 0.25 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1u1e h GLU 135 Cb 0.07 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1u1e h GLU 135 CO -0.04 0.97 0.04 0.00 -1.00 0.00 0.00 179.01 178.98 1u1e h THR 137 N 0.00 1.23 -0.46 0.00 2.02 -1.02 -1.19 112.91 113.48 1u1e h THR 137 Ca 0.03 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1u1e h THR 137 Cb 0.13 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 1u1e h THR 137 CO -0.00 0.22 0.22 0.74 0.37 0.00 0.00 175.52 177.06 1u1e h THR 138 N 1.19 1.19 -0.60 3.16 2.02 -0.85 -1.59 112.91 117.43 1u1e h THR 138 Ca 0.32 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1u1e h THR 138 Cb -0.13 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1u1e h THR 138 CO -0.07 0.21 0.15 0.00 0.37 0.00 0.00 175.52 176.19 1u1e h ALA 139 N 1.06 1.14 -0.22 6.16 0.00 -0.73 -1.04 119.26 125.63 1u1e h ALA 139 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1u1e h ALA 139 Cb 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1u1e h ALA 139 CO -0.02 0.58 -0.22 -0.07 0.00 0.00 0.00 179.25 179.52 1u1e h LEU 140 N 0.89 0.59 -0.15 0.00 3.38 -1.08 -0.88 115.31 118.05 1u1e h LEU 140 Ca 0.19 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1u1e h LEU 140 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1u1e h LEU 140 CO -0.00 0.94 0.09 0.58 0.09 0.00 0.00 178.44 180.14 1u1e h VAL 141 N 0.24 1.07 -0.56 1.22 2.07 -1.18 -1.18 116.25 117.93 1u1e h VAL 141 Ca 0.04 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1u1e h VAL 141 Cb 0.78 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1u1e h VAL 141 CO 0.06 0.07 0.14 -0.33 0.02 0.00 0.00 177.57 177.52 1u1e h GLU 142 N 0.16 0.87 -0.27 1.57 5.08 -1.20 -2.24 114.58 118.55 1u1e h GLU 142 Ca 0.05 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1u1e h GLU 142 Cb 0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1u1e h GLU 142 CO -0.01 0.78 -0.28 0.00 -1.00 0.00 0.00 179.01 178.50 1u1e h ALA 143 N 1.32 1.01 -0.36 3.43 0.00 -0.99 -1.53 119.26 122.13 1u1e h ALA 143 Ca 0.18 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1u1e h ALA 143 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u1e h ALA 143 CO -0.00 0.59 -0.22 0.00 0.00 0.00 0.00 179.25 179.62 1u1e h ALA 144 N 1.23 0.93 0.00 0.00 0.00 -0.82 -2.65 119.26 117.95 1u1e h ALA 144 Ca 0.06 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1u1e h ALA 144 Cb 0.73 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1u1e h ALA 144 CO 0.06 0.61 -0.73 1.57 0.00 0.00 0.00 179.25 180.76 1u1e h LYS 145 N 0.62 0.00 -0.39 0.00 5.09 -1.30 -1.72 116.57 118.87 1u1e h LYS 145 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.74 1u1e h LYS 145 Cb 0.71 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.03 1u1e h LYS 145 CO 0.05 0.73 -0.10 1.03 -2.09 0.00 0.00 179.45 179.07 1u1e h SER 146 N 0.00 0.77 0.51 7.07 0.87 -1.05 -3.05 113.55 118.67 1u1e h SER 146 Ca -0.01 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1u1e h SER 146 Cb 1.32 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1u1e h SER 146 CO 0.09 0.96 -0.39 2.30 -0.53 0.00 0.00 176.83 179.26 1u1e n ILE 147 N -4.34 0.00 -1.78 2.23 -5.35 -1.02 -5.00 119.36 104.10 1u1e n ILE 147 Ca -0.01 -0.02 -0.01 0.00 -0.27 0.00 0.00 62.75 62.44 1u1e n ILE 147 Cb 0.36 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1u1e n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1e n GLY 148 N 1.47 -0.70 3.15 3.28 0.00 -1.00 -5.10 105.19 106.29 1u1e n GLY 148 Ca 0.07 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.89 1.17 -0.41 4.61 0.00 -0.68 -5.04 121.76 119.52 1u1e s ALA 149 Ca 0.03 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 1u1e s ALA 149 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1u1e s ALA 149 CO 0.15 0.21 1.72 0.99 0.00 0.00 0.00 175.76 178.83 1u1e s THR 150 N -0.96 3.55 -0.05 0.00 2.01 -1.26 -4.74 115.64 114.18 1u1e s THR 150 Ca 0.01 0.52 0.04 0.00 0.31 0.00 0.00 61.69 62.56 1u1e s THR 150 Cb -0.08 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1u1e s THR 150 CO 0.02 -0.60 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.32 1u1e s THR 151 N 7.00 3.06 -0.05 -0.82 2.01 -1.26 -1.37 115.64 124.21 1u1e s THR 151 Ca 0.73 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 62.04 1u1e s THR 151 Cb -0.18 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1u1e s THR 151 CO 0.31 0.59 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.67 1u1e s HIS 152 N -0.73 1.64 -0.10 4.92 3.76 -0.72 -4.99 115.29 119.06 1u1e s HIS 152 Ca 0.11 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.54 1u1e s HIS 152 Cb -0.11 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.45 1u1e s HIS 152 CO 0.00 -0.19 -0.15 0.08 -0.85 0.00 0.00 174.74 173.64 1u1e s VAL 153 N 0.16 2.93 -3.41 -0.90 1.01 -1.26 -1.74 120.40 117.18 1u1e s VAL 153 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1u1e s VAL 153 Cb -0.12 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1u1e s VAL 153 CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1u1e n GLY 154 N 3.16 -0.56 3.83 4.51 0.00 -0.93 -4.99 105.19 110.21 1u1e n GLY 154 Ca -0.18 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.58 4.84 -0.01 1.61 1.01 -1.26 -1.33 120.40 121.69 1u1e s VAL 155 Ca 0.00 0.94 0.08 0.00 0.00 0.00 0.00 61.98 63.00 1u1e s VAL 155 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1u1e s VAL 155 CO 0.00 0.38 -0.26 -0.89 0.00 0.00 0.00 175.10 174.33 1u1e s THR 156 N -1.31 2.02 -0.31 3.92 2.01 -0.86 -1.29 115.64 119.83 1u1e s THR 156 Ca 0.33 -1.14 -0.21 0.00 0.31 0.00 0.00 61.69 60.99 1u1e s THR 156 Cb -0.17 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1u1e s THR 156 CO 0.18 0.53 0.65 0.00 -0.69 0.00 0.00 174.62 175.29 1u1e s ALA 157 N -0.64 3.53 -0.42 7.40 0.00 -0.16 0.27 121.76 131.74 1u1e s ALA 157 Ca 0.10 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 1u1e s ALA 157 Cb -0.10 -3.12 0.08 0.00 0.00 0.00 0.00 23.12 19.98 1u1e s ALA 157 CO -0.00 -1.09 0.27 0.45 0.00 0.00 0.00 175.76 175.39 1u1e s SER 158 N 1.64 5.70 -0.01 0.00 0.15 -0.63 -1.69 113.70 118.85 1u1e s SER 158 Ca 0.26 -1.48 -0.03 0.00 0.70 0.00 0.00 55.95 55.40 1u1e s SER 158 Cb -0.15 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1u1e s SER 158 CO 0.12 -0.55 0.18 -0.55 1.20 0.00 0.00 173.24 173.64 1u1e s SER 159 N 2.16 6.35 0.00 5.45 0.15 0.38 -1.66 113.70 126.53 1u1e s SER 159 Ca 0.03 0.34 0.29 0.00 0.70 0.00 0.00 55.95 57.32 1u1e s SER 159 Cb -0.23 -1.99 1.66 0.00 -1.71 0.00 0.00 66.02 63.75 1u1e s SER 159 CO 0.03 0.27 2.08 0.47 1.20 0.00 0.00 173.24 177.28 1u1e n ASP 160 N 0.99 0.21 -3.89 5.45 9.92 -0.73 -4.32 116.55 124.18 1u1e n ASP 160 Ca -0.11 -1.14 -0.10 0.00 -0.53 0.00 0.00 54.79 52.91 1u1e n ASP 160 Cb 0.53 -0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.92 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 -1.99 0.13 0.02 -3.53 -1.32 -1.26 -5.01 115.64 102.67 1u1e s THR 161 Ca 0.43 -1.05 0.08 0.00 -1.21 0.00 0.00 61.69 59.94 1u1e s THR 161 Cb 0.20 -1.01 -0.23 0.00 -1.51 0.00 0.00 72.50 69.95 1u1e s THR 161 CO 0.34 -0.58 0.91 0.15 -2.21 0.00 0.00 174.62 173.23 1u1e h PHE 162 N 3.38 0.07 0.00 9.09 3.57 -1.97 -3.39 116.94 127.68 1u1e h PHE 162 Ca -0.33 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1u1e h PHE 162 Cb 1.19 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1u1e h PHE 162 CO 0.50 1.07 0.00 0.66 -2.23 0.00 0.00 178.31 178.31 1u1e n TYR 163 N -3.22 0.00 -0.04 0.41 4.02 -1.26 -4.33 117.16 112.74 1u1e n TYR 163 Ca -0.11 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.79 1u1e n TYR 163 Cb 1.01 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.65 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 0.61 0.00 -0.72 0.13 -1.88 0.10 132.00 130.24 1u1e h PRO 164 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1u1e h PRO 164 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1u1e h PRO 164 CO 0.00 0.52 0.00 0.78 -0.23 0.00 0.00 178.00 179.07 1u1e h GLY 165 N 0.78 0.00 -2.20 1.56 0.00 -1.87 -1.74 103.07 99.60 1u1e h GLY 165 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1u1e h GLY 165 CO -0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 1u1e n GLN 166 N -2.72 3.51 -4.05 4.80 6.02 -0.73 -4.93 117.38 119.26 1u1e n GLN 166 Ca 0.02 -2.87 -0.30 0.00 -0.01 0.00 0.00 57.00 53.84 1u1e n GLN 166 Cb 0.33 -1.92 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 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 0.00 -1.98 -3.29 -1.09 2.13 -0.65 -4.94 120.64 110.81 1u1e n GLU 167 Ca 0.23 0.27 -0.38 0.00 0.66 0.00 0.00 57.16 57.94 1u1e n GLU 167 Cb 0.94 -3.95 -0.06 0.00 0.27 0.00 0.00 31.44 28.63 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 -6.86 4.29 0.00 5.31 0.52 0.27 -4.96 118.95 117.52 1u1e s ARG 168 Ca 0.11 0.44 0.17 0.00 -0.52 0.00 0.00 55.73 55.92 1u1e s ARG 168 Cb -0.05 -3.48 -0.07 0.00 0.52 0.00 0.00 34.95 31.87 1u1e s ARG 168 CO 0.93 0.05 0.82 0.66 0.02 0.00 0.00 175.30 177.78 1u1e n TYR 169 N 4.05 0.00 -1.42 -0.53 4.02 -1.26 -4.36 117.16 117.66 1u1e n TYR 169 Ca -0.06 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.46 1u1e n TYR 169 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.80 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 -0.58 8.38 -4.04 7.72 5.75 -1.26 -4.33 116.55 128.19 1u1e n ASP 170 Ca 0.06 -2.68 -0.26 0.00 -0.01 0.00 0.00 54.79 51.89 1u1e n ASP 170 Cb 0.32 -1.51 -0.06 0.00 -1.03 0.00 0.00 41.12 38.84 1u1e n ASP 170 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1u1e n THR 171 N 3.12 0.00 -0.06 2.12 -2.24 -1.26 -5.02 114.28 110.94 1u1e n THR 171 Ca 0.73 -2.20 -0.10 0.00 -2.27 0.00 0.00 64.05 60.21 1u1e n THR 171 Cb 0.28 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 1u1e n THR 171 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1u1e h TYR 172 N 1.45 0.32 0.01 4.78 5.03 -1.99 -3.23 116.97 123.35 1u1e h TYR 172 Ca -0.34 -0.02 -0.25 0.00 2.58 0.00 0.00 58.73 60.70 1u1e h TYR 172 Cb 1.14 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 39.29 1u1e h TYR 172 CO 0.00 0.34 -1.33 0.66 -1.32 0.00 0.00 178.16 176.50 1u1e h SER 173 N 0.22 0.04 0.00 -2.11 4.64 -1.97 -3.48 113.55 110.89 1u1e h SER 173 Ca 0.08 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1u1e h SER 173 Cb 0.14 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1u1e h SER 173 CO -0.01 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 1u1e n GLY 174 N 1.46 0.33 3.52 -0.77 0.00 -1.22 -5.01 105.19 103.50 1u1e n GLY 174 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.73 1.87 -0.08 1.61 1.70 -1.26 -4.90 118.95 117.16 1u1e s ARG 175 Ca 0.00 -1.30 0.02 0.00 -0.47 0.00 0.00 55.73 53.98 1u1e s ARG 175 Cb 0.00 -2.08 0.01 0.00 -0.57 0.00 0.00 34.95 32.31 1u1e s ARG 175 CO 0.00 0.44 -0.15 0.08 -1.08 0.00 0.00 175.30 174.59 1u1e s VAL 176 N -1.55 1.36 0.43 4.99 1.01 -1.26 -4.91 120.40 120.47 1u1e s VAL 176 Ca 0.22 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1u1e s VAL 176 Cb -0.09 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 34.96 1u1e s VAL 176 CO 0.13 0.41 0.94 0.55 0.00 0.00 0.00 175.10 177.12 1u1e n VAL 177 N 3.86 2.44 -0.30 2.92 3.14 -1.26 -4.58 118.33 124.55 1u1e n VAL 177 Ca -0.21 -0.50 0.13 0.00 -2.96 0.00 0.00 64.34 60.79 1u1e n VAL 177 Cb 0.52 -1.06 0.28 0.00 -1.06 0.00 0.00 33.84 32.51 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 1.35 0.13 -0.91 1.45 2.43 -2.00 -0.11 114.38 116.72 1u1e h ARG 178 Ca -0.44 -0.01 0.15 0.00 -0.81 0.00 0.00 59.98 58.87 1u1e h ARG 178 Cb 1.35 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 1u1e h ARG 178 CO 0.56 0.08 0.59 1.25 -1.51 0.00 0.00 179.97 180.94 1u1e h HIS 179 N 0.13 0.86 -0.16 2.20 2.76 -2.02 -1.99 115.15 116.93 1u1e h HIS 179 Ca 0.55 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.74 1u1e h HIS 179 Cb 1.11 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.81 1u1e h HIS 179 CO -0.34 0.30 0.00 1.19 -1.30 0.00 0.00 177.93 177.78 1u1e n PHE 180 N -4.58 0.19 -2.20 5.26 3.01 -0.11 -4.78 117.46 114.24 1u1e n PHE 180 Ca 0.18 -0.11 -0.42 0.00 1.01 0.00 0.00 57.45 58.11 1u1e n PHE 180 Cb 0.48 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 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 -1.61 4.24 0.00 -1.08 -0.14 -0.75 -2.32 119.74 118.08 1u1e s LYS 181 Ca 0.29 1.96 0.00 0.00 -1.36 0.00 0.00 55.97 56.86 1u1e s LYS 181 Cb 0.19 -3.76 0.00 0.00 -1.68 0.00 0.00 37.83 32.58 1u1e s LYS 181 CO 0.27 -0.70 0.00 0.41 -0.76 0.00 0.00 175.35 174.57 1u1e n GLY 182 N 3.80 0.37 0.24 -3.33 0.00 -1.26 -4.93 105.19 100.07 1u1e n GLY 182 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 0.70 -0.60 1.61 4.64 -1.77 -2.94 113.55 115.19 1u1e h SER 183 Ca 0.00 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1u1e h SER 183 Cb 0.27 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1u1e h SER 183 CO 0.00 1.02 0.34 -0.03 -0.87 0.00 0.00 176.83 177.29 1u1e h MET 184 N 0.54 0.84 -0.94 4.77 -1.53 -1.92 -1.14 114.93 115.55 1u1e h MET 184 Ca 0.04 -0.09 0.02 0.00 -3.44 0.00 0.00 59.70 56.23 1u1e h MET 184 Cb 0.93 -0.17 -0.05 0.00 -0.55 0.00 0.00 31.60 31.76 1u1e h MET 184 CO 0.08 0.63 0.62 1.49 0.14 0.00 0.00 176.91 179.87 1u1e h GLU 185 N 0.82 1.20 0.09 0.39 4.81 -1.96 -0.54 114.58 119.38 1u1e h GLU 185 Ca 0.21 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1u1e h GLU 185 Cb 0.03 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1u1e h GLU 185 CO -0.04 0.79 -0.04 0.93 -0.73 0.00 0.00 179.01 179.92 1u1e h GLU 186 N 1.24 -0.12 -0.92 1.92 4.39 -1.23 -1.69 114.58 118.17 1u1e h GLU 186 Ca 0.36 0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.07 1u1e h GLU 186 Cb -0.09 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.54 1u1e h GLU 186 CO -0.09 -0.02 0.60 -1.49 -1.16 0.00 0.00 179.01 176.84 1u1e h TRP 187 N -0.19 1.16 -0.51 4.33 -0.00 -1.02 -1.93 115.95 117.80 1u1e h TRP 187 Ca -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1u1e h TRP 187 Cb 0.15 -0.39 -0.02 0.00 -0.00 0.00 0.00 29.16 28.90 1u1e h TRP 187 CO -0.05 0.74 0.30 1.96 -0.00 0.00 0.00 178.44 181.39 1u1e h GLN 188 N 1.25 0.70 0.00 0.49 4.20 -0.90 -1.03 115.11 119.82 1u1e h GLN 188 Ca 0.33 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.92 1u1e h GLN 188 Cb -0.13 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1u1e h GLN 188 CO -0.07 0.51 -0.29 0.00 -0.67 0.00 0.00 178.83 178.31 1u1e h ALA 189 N 1.14 1.30 -0.01 3.87 0.00 -1.04 -2.65 119.26 121.87 1u1e h ALA 189 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u1e h ALA 189 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1u1e h ALA 189 CO -0.03 0.36 -0.02 -1.33 0.00 0.00 0.00 179.25 178.23 1u1e n MET 190 N -3.86 1.22 -0.78 0.00 2.81 -0.75 -4.92 117.12 110.85 1u1e n MET 190 Ca -0.02 -0.42 0.00 0.00 -1.81 0.00 0.00 57.70 55.46 1u1e n MET 190 Cb 0.37 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.11 0.60 3.72 3.03 0.00 -0.87 -5.02 105.19 107.75 1u1e n GLY 191 Ca 0.21 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 2.64 0.05 1.61 1.01 -0.46 -4.61 120.40 118.65 1u1e s VAL 192 Ca 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 1u1e s VAL 192 Cb 0.00 -3.30 -0.31 0.00 0.00 0.00 0.00 36.38 32.77 1u1e s VAL 192 CO 0.00 0.04 1.08 0.24 0.00 0.00 0.00 175.10 176.47 1u1e h MET 193 N 6.50 0.53 -2.65 2.72 0.00 -1.51 -3.41 114.93 117.11 1u1e h MET 193 Ca -0.43 -0.79 0.12 0.00 0.00 0.00 0.00 59.70 58.60 1u1e h MET 193 Cb 1.21 0.28 -0.06 0.00 0.00 0.00 0.00 31.60 33.03 1u1e h MET 193 CO 0.89 1.37 0.38 0.54 0.00 0.00 0.00 176.91 180.09 1u1e s ASN 194 N -7.43 -0.18 -0.05 1.22 6.03 -1.26 -0.59 114.94 112.68 1u1e s ASN 194 Ca -0.08 -0.57 0.03 0.00 -1.03 0.00 0.00 52.86 51.21 1u1e s ASN 194 Cb 0.05 0.61 -0.03 0.00 -3.03 0.00 0.00 41.25 38.86 1u1e s ASN 194 CO 0.93 -1.14 -0.13 -0.31 -2.03 0.00 0.00 177.10 174.42 1u1e s TYR 195 N -3.34 2.74 0.03 1.54 1.51 -0.40 -0.99 117.35 118.45 1u1e s TYR 195 Ca 0.13 -0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1u1e s TYR 195 Cb -0.03 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1u1e s TYR 195 CO 0.05 0.20 0.05 -0.85 -1.11 0.00 0.00 175.55 173.89 1u1e n GLU 196 N 2.33 0.07 0.00 -0.62 -0.00 -0.68 -2.86 120.64 118.87 1u1e n GLU 196 Ca -0.17 -0.21 0.00 0.00 -0.00 0.00 0.00 57.16 56.77 1u1e n GLU 196 Cb 0.52 0.22 0.00 0.00 -0.00 0.00 0.00 31.44 32.19 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 -0.05 1.54 0.00 3.44 2.81 -1.26 -0.47 117.12 123.14 1u1e n MET 197 Ca -0.00 -1.01 0.00 0.00 -1.81 0.00 0.00 57.70 54.87 1u1e n MET 197 Cb 0.05 -0.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 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 -0.26 1.48 -0.27 0.03 4.71 -1.26 -3.63 120.64 121.43 1u1e n GLU 198 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 1u1e n GLU 198 Cb 0.34 -0.63 0.11 0.00 -1.01 0.00 0.00 31.44 30.26 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 0.72 -0.30 1.62 4.64 -1.94 -2.01 113.55 116.28 1u1e h SER 199 Ca 0.00 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1u1e h SER 199 Cb 0.22 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 1u1e h SER 199 CO 0.00 0.47 0.04 0.00 -0.87 0.00 0.00 176.83 176.47 1u1e h ALA 200 N 1.37 0.30 0.06 5.18 0.00 -1.88 0.40 119.26 124.69 1u1e h ALA 200 Ca 0.33 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1u1e h ALA 200 Cb 0.14 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1u1e h ALA 200 CO -0.16 -0.37 -0.03 1.15 0.00 0.00 0.00 179.25 179.83 1u1e h THR 201 N 0.14 1.00 -0.09 0.00 2.02 -1.85 -1.53 112.91 112.59 1u1e h THR 201 Ca 0.14 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1u1e h THR 201 Cb 0.17 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1u1e h THR 201 CO -0.21 0.05 0.06 0.25 0.37 0.00 0.00 175.52 176.04 1u1e h LEU 202 N -0.17 0.10 -0.50 2.58 5.85 -0.99 -1.26 115.31 120.91 1u1e h LEU 202 Ca -0.01 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1u1e h LEU 202 Cb 0.14 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1u1e h LEU 202 CO 0.01 0.07 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.72 1u1e h LEU 203 N 0.12 0.84 0.12 2.25 3.38 -0.22 -2.30 115.31 119.50 1u1e h LEU 203 Ca 0.04 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1u1e h LEU 203 Cb -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1u1e h LEU 203 CO -0.01 1.13 -0.06 0.74 0.09 0.00 0.00 178.44 180.33 1u1e h THR 204 N 0.65 1.06 0.00 0.22 2.02 -1.24 -1.64 112.91 113.97 1u1e h THR 204 Ca 0.05 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 1u1e h THR 204 Cb 0.95 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1u1e h THR 204 CO 0.09 0.19 -0.17 0.00 0.37 0.00 0.00 175.52 176.00 1u1e h MET 205 N -0.55 0.00 0.10 6.66 -0.00 -1.26 -2.06 114.93 117.81 1u1e h MET 205 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.46 1u1e h MET 205 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.04 1u1e h MET 205 CO 0.03 0.17 -1.10 0.00 -0.00 0.00 0.00 176.91 176.00 1u1e h ALA 207 N -0.06 1.21 -0.27 0.00 0.00 -1.20 -1.09 119.26 117.84 1u1e h ALA 207 Ca -0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u1e h ALA 207 Cb 1.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1u1e h ALA 207 CO 0.04 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 1u1e n SER 208 N -3.56 2.65 0.00 0.00 3.41 -0.78 -4.26 113.62 111.09 1u1e n SER 208 Ca -0.01 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1u1e n SER 208 Cb 0.28 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.98 0.04 -0.69 4.33 6.02 -0.83 -5.01 117.38 122.20 1u1e n GLN 209 Ca 0.18 -0.44 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 1u1e n GLN 209 Cb 0.49 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 31.00 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 -0.07 0.73 3.85 1.08 0.00 -0.88 -5.05 105.19 104.85 1u1e n GLY 210 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 4.39 -0.01 0.99 1.43 -0.47 -5.03 118.68 119.98 1u1e s LEU 211 Ca 0.00 0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 53.85 1u1e s LEU 211 Cb 0.00 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.20 1u1e s LEU 211 CO 0.00 0.20 0.70 -0.13 0.23 0.00 0.00 176.35 177.35 1u1e s ARG 212 N -1.64 4.43 -0.00 1.70 0.52 -0.35 -3.93 118.95 119.67 1u1e s ARG 212 Ca 0.32 0.92 0.02 0.00 -0.52 0.00 0.00 55.73 56.46 1u1e s ARG 212 Cb -0.16 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1u1e s ARG 212 CO 0.17 0.22 -0.05 0.00 0.02 0.00 0.00 175.30 175.66 1u1e s ALA 213 N 0.24 0.43 0.08 2.13 0.00 -1.26 -0.46 121.76 122.92 1u1e s ALA 213 Ca 0.36 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1u1e s ALA 213 Cb -0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1u1e s ALA 213 CO 0.20 0.09 -0.10 0.20 0.00 0.00 0.00 175.76 176.15 1u1e s GLY 214 N -0.24 0.76 -0.06 0.00 0.00 -0.13 -0.33 107.32 107.32 1u1e s GLY 214 Ca 0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1u1e s GLY 214 CO -0.00 -1.11 -0.00 -0.29 0.00 0.00 0.00 173.10 171.70 1u1e s MET 215 N -2.33 0.55 0.01 2.90 1.75 -1.26 -0.56 119.30 120.36 1u1e s MET 215 Ca 0.00 0.10 0.03 0.00 -1.25 0.00 0.00 55.69 54.57 1u1e s MET 215 Cb -0.06 -0.86 -0.01 0.00 2.84 0.00 0.00 34.83 36.74 1u1e s MET 215 CO 0.00 -0.26 -0.09 0.54 -0.65 0.00 0.00 175.02 174.57 1u1e s VAL 216 N 1.73 0.67 -0.00 10.11 0.11 -0.09 -1.97 120.40 130.96 1u1e s VAL 216 Ca 0.01 -0.53 -0.08 0.00 -2.93 0.00 0.00 61.98 58.45 1u1e s VAL 216 Cb -0.13 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1u1e s VAL 216 CO -0.04 0.07 0.15 0.00 -3.33 0.00 0.00 175.10 171.94 1u1e s ALA 217 N -0.45 -0.35 -0.18 1.54 0.00 -0.61 -1.36 121.76 120.35 1u1e s ALA 217 Ca 0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 1u1e s ALA 217 Cb -0.05 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1u1e s ALA 217 CO 0.00 -0.20 0.07 0.20 0.00 0.00 0.00 175.76 175.83 1u1e s GLY 218 N -1.29 1.93 -0.43 0.00 0.00 -0.64 -1.03 107.32 105.86 1u1e s GLY 218 Ca -0.14 -0.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.56 1u1e s GLY 218 CO 0.02 0.04 1.21 0.14 0.00 0.00 0.00 173.10 174.50 1u1e s VAL 219 N 0.29 4.16 -0.26 1.40 1.01 -0.32 -1.67 120.40 125.02 1u1e s VAL 219 Ca 0.04 1.22 0.17 0.00 0.00 0.00 0.00 61.98 63.41 1u1e s VAL 219 Cb -0.12 -4.45 -0.23 0.00 0.00 0.00 0.00 36.38 31.58 1u1e s VAL 219 CO -0.00 -0.84 0.47 2.30 0.00 0.00 0.00 175.10 177.03 1u1e n ILE 220 N 6.73 0.00 -3.84 2.22 -5.35 -1.06 -0.33 119.36 117.73 1u1e n ILE 220 Ca 0.13 -0.30 -0.12 0.00 -0.27 0.00 0.00 62.75 62.20 1u1e n ILE 220 Cb 0.48 0.40 -0.10 0.00 -1.74 0.00 0.00 39.64 38.69 1u1e n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1e s VAL 221 N -2.95 0.07 -0.16 7.28 0.11 -1.23 -4.68 120.40 118.83 1u1e s VAL 221 Ca -0.02 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.49 1u1e s VAL 221 Cb 0.11 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1u1e s VAL 221 CO 0.68 -0.30 -0.17 0.21 -3.33 0.00 0.00 175.10 172.19 1u1e s ASN 222 N -1.15 3.44 0.47 3.54 3.84 -1.26 -0.78 114.94 123.03 1u1e s ASN 222 Ca -0.12 -0.54 0.31 0.00 0.21 0.00 0.00 52.86 52.72 1u1e s ASN 222 Cb -0.06 -1.53 1.33 0.00 -0.55 0.00 0.00 41.25 40.44 1u1e s ASN 222 CO 0.02 0.06 1.93 0.03 -2.79 0.00 0.00 177.10 176.34 1u1e h ARG 223 N 7.52 0.00 -0.00 0.43 2.47 -0.94 -2.85 114.38 121.00 1u1e h ARG 223 Ca -0.36 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 1u1e h ARG 223 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1u1e h ARG 223 CO 0.58 0.00 -0.18 0.25 0.56 0.00 0.00 179.97 181.18 1u1e n THR 224 N -2.83 0.00 0.04 2.04 -2.24 -1.26 -4.56 114.28 105.47 1u1e n THR 224 Ca 0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1u1e n THR 224 Cb 0.26 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.30 0.00 -3.78 -0.78 10.64 -1.09 -5.09 117.38 115.97 1u1e n GLN 225 Ca 0.09 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.17 1u1e n GLN 225 Cb 0.32 -0.46 -0.05 0.00 -0.86 0.00 0.00 30.24 29.19 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 1.19 -0.21 2.61 -2.07 -1.13 -5.09 119.66 112.97 1u1e s GLN 226 Ca 0.00 -0.91 0.08 0.00 -1.82 0.00 0.00 55.36 52.71 1u1e s GLN 226 Cb 0.00 0.45 -0.19 0.00 -1.09 0.00 0.00 33.01 32.19 1u1e s GLN 226 CO 0.00 -0.47 -0.09 -1.91 -1.32 0.00 0.00 175.29 171.50 1u1e n GLU 227 N -0.25 0.77 -3.33 9.60 4.07 -1.26 -4.32 120.64 125.93 1u1e n GLU 227 Ca -0.11 0.07 -0.42 0.00 -0.06 0.00 0.00 57.16 56.64 1u1e n GLU 227 Cb 0.63 -1.47 -0.09 0.00 -0.06 0.00 0.00 31.44 30.45 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 -2.46 5.09 0.70 6.31 1.09 -1.26 -5.00 121.20 125.67 1u1e s ILE 228 Ca -0.22 -0.15 -0.11 0.00 -1.10 0.00 0.00 60.65 59.07 1u1e s ILE 228 Cb 0.07 -3.98 0.01 0.00 -1.06 0.00 0.00 42.46 37.50 1u1e s ILE 228 CO 0.64 -0.32 1.09 -2.84 -0.10 0.00 0.00 174.94 173.41 1u1e s PRO 229 N 2.16 2.91 0.29 2.79 0.02 -1.26 -5.05 135.00 136.86 1u1e s PRO 229 Ca 0.13 0.50 -0.28 0.00 0.02 0.00 0.00 61.00 61.38 1u1e s PRO 229 Cb -0.17 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 32.24 1u1e s PRO 229 CO 0.13 -1.01 0.96 1.21 -0.33 0.00 0.00 177.00 177.96 1u1e s ASN 230 N -4.32 7.42 0.02 2.53 2.47 -1.26 -5.01 114.94 116.79 1u1e s ASN 230 Ca 0.58 1.91 -0.25 0.00 0.42 0.00 0.00 52.86 55.52 1u1e s ASN 230 Cb -0.11 -2.59 -0.18 0.00 -1.45 0.00 0.00 41.25 36.92 1u1e s ASN 230 CO 0.52 -0.01 1.39 0.00 -3.72 0.00 0.00 177.10 175.29 1u1e h ALA 231 N 3.53 -0.12 -0.43 1.71 0.00 -2.00 -2.62 119.26 119.32 1u1e h ALA 231 Ca -0.46 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 1u1e h ALA 231 Cb 1.20 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1u1e h ALA 231 CO 0.66 -0.41 -0.23 1.49 0.00 0.00 0.00 179.25 180.76 1u1e h GLU 232 N -0.43 0.87 -0.42 0.00 4.22 -2.01 -2.92 114.58 113.88 1u1e h GLU 232 Ca -0.01 -0.36 -0.03 0.00 0.08 0.00 0.00 59.36 59.04 1u1e h GLU 232 Cb 0.36 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1u1e h GLU 232 CO 0.02 1.01 0.15 1.15 -2.18 0.00 0.00 179.01 179.16 1u1e h THR 233 N 0.75 1.17 -0.44 0.32 2.02 -1.98 -2.51 112.91 112.23 1u1e h THR 233 Ca 0.10 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1u1e h THR 233 Cb 0.77 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1u1e h THR 233 CO 0.06 0.21 0.09 0.24 0.37 0.00 0.00 175.52 176.49 1u1e h MET 234 N 0.60 0.67 -0.12 6.66 2.86 -1.27 -2.07 114.93 122.26 1u1e h MET 234 Ca 0.15 -0.13 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 1u1e h MET 234 Cb 0.15 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.71 1u1e h MET 234 CO -0.01 0.62 -0.48 0.87 1.06 0.00 0.00 176.91 178.97 1u1e h LYS 235 N 0.65 0.54 0.00 1.72 6.56 -1.41 -2.92 116.57 121.71 1u1e h LYS 235 Ca 0.14 -0.41 -0.13 0.00 -1.06 0.00 0.00 60.65 59.19 1u1e h LYS 235 Cb 0.27 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 1u1e h LYS 235 CO 0.00 1.04 -0.61 -0.56 -2.06 0.00 0.00 179.45 177.26 1u1e h GLN 236 N 0.15 0.00 -0.30 3.15 3.07 -1.43 -2.19 115.11 117.56 1u1e h GLN 236 Ca -0.03 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.54 1u1e h GLN 236 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.67 1u1e h GLN 236 CO 0.10 0.61 -0.50 1.15 0.09 0.00 0.00 178.83 180.28 1u1e h THR 237 N 0.00 1.28 -0.32 1.86 2.02 -1.45 -0.82 112.91 115.48 1u1e h THR 237 Ca -0.01 -1.69 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 1u1e h THR 237 Cb 1.09 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 1u1e h THR 237 CO 0.08 0.55 0.19 -0.08 0.37 0.00 0.00 175.52 176.62 1u1e h GLU 238 N 0.65 0.43 -0.44 6.66 4.81 -1.40 -1.69 114.58 123.60 1u1e h GLU 238 Ca 0.03 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1u1e h GLU 238 Cb 1.09 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1u1e h GLU 238 CO 0.11 0.34 0.07 1.03 -0.73 0.00 0.00 179.01 179.83 1u1e h SER 239 N 0.40 0.64 -0.34 1.04 0.87 -1.32 -0.34 113.55 114.50 1u1e h SER 239 Ca 0.11 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1u1e h SER 239 Cb 0.02 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1u1e h SER 239 CO -0.02 0.67 0.06 -0.74 -0.53 0.00 0.00 176.83 176.27 1u1e h HIS 240 N 0.66 0.59 -0.42 2.24 2.76 -0.94 -2.08 115.15 117.96 1u1e h HIS 240 Ca 0.14 -0.08 -0.15 0.00 -2.20 0.00 0.00 60.37 58.08 1u1e h HIS 240 Cb 0.31 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1u1e h HIS 240 CO 0.01 0.61 -0.34 0.00 -1.30 0.00 0.00 177.93 176.92 1u1e h ALA 241 N 0.90 0.60 -0.75 5.26 0.00 -1.07 -2.88 119.26 121.33 1u1e h ALA 241 Ca 0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1u1e h ALA 241 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1u1e h ALA 241 CO 0.01 0.68 0.31 0.28 0.00 0.00 0.00 179.25 180.52 1u1e h VAL 242 N 0.80 1.25 -0.60 0.00 2.07 -1.05 -1.58 116.25 117.14 1u1e h VAL 242 Ca 0.08 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1u1e h VAL 242 Cb 0.93 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1u1e h VAL 242 CO 0.09 0.32 0.27 0.50 0.02 0.00 0.00 177.57 178.77 1u1e h LYS 243 N 1.08 0.85 -0.11 1.57 1.63 -1.33 -2.50 116.57 117.76 1u1e h LYS 243 Ca 0.25 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1u1e h LYS 243 Cb 0.19 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1u1e h LYS 243 CO -0.02 0.67 -0.12 0.82 -3.45 0.00 0.00 179.45 177.34 1u1e h ILE 244 N 0.84 1.36 0.00 2.00 2.04 -1.19 -2.49 117.51 120.08 1u1e h ILE 244 Ca 0.21 -1.30 -0.07 0.00 1.00 0.00 0.00 64.86 64.70 1u1e h ILE 244 Cb 0.11 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1u1e h ILE 244 CO -0.03 0.37 -0.31 1.62 0.00 0.00 0.00 178.15 179.80 1u1e h VAL 245 N -0.13 1.20 -0.02 1.67 3.04 -1.23 0.10 116.25 120.88 1u1e h VAL 245 Ca 0.02 -1.09 -0.17 0.00 -1.01 0.00 0.00 66.70 64.45 1u1e h VAL 245 Cb 0.65 1.59 0.01 0.00 -2.01 0.00 0.00 31.29 31.53 1u1e h VAL 245 CO 0.03 0.31 -0.67 0.58 -1.01 0.00 0.00 177.57 176.81 1u1e h VAL 246 N 0.00 1.39 -0.49 1.51 2.07 -1.51 -2.01 116.25 117.21 1u1e h VAL 246 Ca -0.00 -2.06 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 1u1e h VAL 246 Cb 0.56 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1u1e h VAL 246 CO 0.04 0.61 0.17 -0.08 0.02 0.00 0.00 177.57 178.33 1u1e h GLU 247 N 0.04 0.71 -0.23 1.57 4.57 -1.12 -2.16 114.58 117.97 1u1e h GLU 247 Ca -0.08 -0.11 -0.15 0.00 -1.18 0.00 0.00 59.36 57.84 1u1e h GLU 247 Cb 1.36 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 1u1e h GLU 247 CO 0.13 0.61 -0.46 0.00 -1.18 0.00 0.00 179.01 178.11 1u1e h ALA 248 N 1.48 0.77 -0.17 2.92 0.00 -0.84 -3.08 119.26 120.35 1u1e h ALA 248 Ca 0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1u1e h ALA 248 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1u1e h ALA 248 CO -0.01 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.81 1u1e h ALA 249 N 1.02 1.53 -0.68 0.00 0.00 -0.87 -2.58 119.26 117.68 1u1e h ALA 249 Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1u1e h ALA 249 Cb 0.99 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1u1e h ALA 249 CO 0.09 0.34 0.32 0.00 0.00 0.00 0.00 179.25 179.99 1u1e h ARG 250 N 0.25 0.97 0.00 0.00 3.08 -1.31 -2.87 114.38 114.51 1u1e h ARG 250 Ca 0.05 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1u1e h ARG 250 Cb 0.33 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1u1e h ARG 250 CO 0.02 0.76 -0.37 0.00 -1.07 0.00 0.00 179.97 179.30 1u1e h ARG 251 N 0.97 0.00 0.00 0.04 3.08 -1.49 -3.31 114.38 113.67 1u1e h ARG 251 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1u1e h ARG 251 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1u1e h ARG 251 CO -0.03 0.37 -1.08 1.28 -1.07 0.00 0.00 179.97 179.44 1u1e n LEU 252 N -3.39 0.65 0.00 3.04 4.77 -1.10 -5.10 117.00 115.87 1u1e n LEU 252 Ca 0.01 0.16 0.10 0.00 -0.03 0.00 0.00 56.01 56.25 1u1e n LEU 252 Cb 0.56 -0.08 0.62 0.00 -2.33 0.00 0.00 43.42 42.19 1u1e n LEU 252 CO 0.37 -0.07 0.81 0.18 -1.33 0.00 0.00 177.39 177.35