#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1e s SER 4 N 0.00 -0.13 0.01 3.14 0.15 -1.26 -4.36 113.70 111.25 1u1e s SER 4 Ca 0.00 0.28 0.24 0.00 0.70 0.00 0.00 55.95 57.17 1u1e s SER 4 Cb 0.00 0.23 0.32 0.00 -1.71 0.00 0.00 66.02 64.86 1u1e s SER 4 CO 0.00 -0.09 1.28 0.47 1.20 0.00 0.00 173.24 176.10 1u1e n ASP 5 N 3.56 0.62 -4.39 5.45 10.43 -0.28 -4.95 116.55 126.99 1u1e n ASP 5 Ca -0.19 -0.39 -0.20 0.00 2.57 0.00 0.00 54.79 56.58 1u1e n ASP 5 Cb 0.56 0.44 -0.10 0.00 1.84 0.00 0.00 41.12 43.85 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 -3.02 1.77 0.20 2.53 -7.23 -1.24 -5.07 120.40 108.35 1u1e s VAL 6 Ca 0.10 -2.20 0.11 0.00 -1.81 0.00 0.00 61.98 58.18 1u1e s VAL 6 Cb 0.17 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 1u1e s VAL 6 CO 0.74 -0.47 1.53 -0.26 -0.31 0.00 0.00 175.10 176.34 1u1e h PHE 7 N 2.43 0.00 0.00 2.82 0.05 -1.95 -3.40 116.94 116.88 1u1e h PHE 7 Ca -0.39 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.40 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 0.71 0.68 -0.83 0.72 -0.18 0.00 0.00 178.31 179.41 1u1e n HIS 8 N -3.63 0.00 0.17 -0.55 8.25 -1.26 -4.84 115.22 113.36 1u1e n HIS 8 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1u1e n HIS 8 Cb 0.69 0.00 0.25 0.00 1.12 0.00 0.00 29.99 32.05 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 -1.10 2.41 3.38 -1.92 -3.44 115.31 114.64 1u1e h LEU 9 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1u1e h LEU 9 Cb 0.83 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.64 1u1e h LEU 9 CO 0.00 0.45 -0.27 0.61 0.09 0.00 0.00 178.44 179.32 1u1e n GLY 10 N 0.46 0.32 3.19 0.83 0.00 -1.26 -4.66 105.19 104.07 1u1e n GLY 10 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.53 2.28 0.39 0.99 1.43 -1.26 -4.79 118.68 114.19 1u1e s LEU 11 Ca 0.19 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1u1e s LEU 11 Cb -0.08 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 1u1e s LEU 11 CO 0.29 -0.05 0.37 0.42 0.23 0.00 0.00 176.35 177.60 1u1e s THR 12 N -1.24 2.96 0.29 5.49 -4.23 -1.26 -1.12 115.64 116.53 1u1e s THR 12 Ca -0.01 -1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1u1e s THR 12 Cb -0.10 -3.06 0.23 0.00 1.34 0.00 0.00 72.50 70.92 1u1e s THR 12 CO 0.03 -0.05 1.93 0.50 -0.54 0.00 0.00 174.62 176.48 1u1e h LYS 13 N 1.06 1.03 -0.49 3.99 3.64 -1.96 -2.82 116.57 121.01 1u1e h LYS 13 Ca -0.42 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1u1e h LYS 13 Cb 1.26 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1u1e h LYS 13 CO 0.57 0.73 0.21 -0.97 -2.27 0.00 0.00 179.45 177.72 1u1e h ASN 14 N 1.04 0.62 -0.78 4.20 -0.73 -1.96 -2.52 115.58 115.45 1u1e h ASN 14 Ca 0.27 -0.06 0.12 0.00 1.87 0.00 0.00 56.30 58.50 1u1e h ASN 14 Cb -0.02 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.36 1u1e h ASN 14 CO -0.05 0.55 0.51 0.44 -0.37 0.00 0.00 177.43 178.51 1u1e h ASP 15 N 0.69 0.55 1.17 1.15 3.45 -1.90 -2.14 116.42 119.39 1u1e h ASP 15 Ca 0.17 0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.57 1u1e h ASP 15 Cb 0.11 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 1u1e h ASP 15 CO -0.02 0.31 -0.38 -0.07 -1.57 0.00 0.00 179.24 177.51 1u1e h LEU 16 N 0.60 0.00 1.67 1.55 4.07 -1.54 -3.48 115.31 118.18 1u1e h LEU 16 Ca 0.37 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.95 1u1e h LEU 16 Cb 0.62 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.37 1u1e h LEU 16 CO -0.14 0.38 -0.54 0.00 -1.08 0.00 0.00 178.44 177.05 1u1e n GLN 17 N -3.35 -3.49 -0.55 1.13 6.02 -0.81 -2.10 117.38 114.23 1u1e n GLN 17 Ca 0.01 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.83 1u1e n GLN 17 Cb 0.58 -5.59 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 0.69 3.76 1.08 0.00 -1.26 -4.83 105.19 103.38 1u1e n GLY 18 Ca -0.14 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 3.53 0.00 4.61 0.00 -0.89 -4.93 121.76 122.08 1u1e s ALA 19 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1u1e s ALA 19 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1u1e s ALA 19 CO 0.00 -0.64 0.18 0.25 0.00 0.00 0.00 175.76 175.55 1u1e n THR 20 N 1.45 0.00 -5.28 0.00 -2.24 -1.26 -4.22 114.28 102.73 1u1e n THR 20 Ca 0.03 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 1u1e n THR 20 Cb 0.42 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.12 2.05 -0.04 3.22 0.20 -1.26 -0.40 118.68 121.34 1u1e s LEU 21 Ca 0.00 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.36 1u1e s LEU 21 Cb 0.00 -1.33 0.02 0.00 -0.43 0.00 0.00 46.19 44.45 1u1e s LEU 21 CO 0.00 0.30 -0.05 0.00 -0.29 0.00 0.00 176.35 176.31 1u1e s ALA 22 N -0.49 0.67 -0.16 5.97 0.00 0.21 -1.64 121.76 126.33 1u1e s ALA 22 Ca 0.07 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 1u1e s ALA 22 Cb -0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1u1e s ALA 22 CO 0.00 0.03 0.58 0.42 0.00 0.00 0.00 175.76 176.79 1u1e s ILE 23 N 0.73 5.08 -0.47 0.00 1.01 0.25 -0.91 121.20 126.89 1u1e s ILE 23 Ca -0.10 1.12 0.03 0.00 0.00 0.00 0.00 60.65 61.71 1u1e s ILE 23 Cb -0.13 -3.91 0.12 0.00 0.01 0.00 0.00 42.46 38.56 1u1e s ILE 23 CO 0.00 0.20 0.21 0.68 0.00 0.00 0.00 174.94 176.03 1u1e s VAL 24 N 1.39 2.27 0.72 2.92 -7.23 0.28 -1.50 120.40 119.25 1u1e s VAL 24 Ca 0.28 -2.96 -0.11 0.00 -1.81 0.00 0.00 61.98 57.38 1u1e s VAL 24 Cb -0.16 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.20 1u1e s VAL 24 CO 0.11 -0.78 1.10 -2.16 -0.31 0.00 0.00 175.10 173.07 1u1e s PRO 25 N 0.09 2.77 -0.02 4.82 0.04 -1.23 -3.56 135.00 137.91 1u1e s PRO 25 Ca 0.16 0.47 -0.12 0.00 0.04 0.00 0.00 61.00 61.54 1u1e s PRO 25 Cb -0.24 -2.01 -0.33 0.00 0.04 0.00 0.00 34.50 31.96 1u1e s PRO 25 CO -0.02 -1.10 0.81 0.78 0.04 0.00 0.00 177.00 177.50 1u1e h GLY 26 N -0.70 0.51 -5.46 0.56 0.00 -1.84 -0.44 103.07 95.71 1u1e h GLY 26 Ca -0.45 -1.31 -0.59 0.00 0.00 0.00 0.00 47.33 44.98 1u1e h GLY 26 CO 0.63 1.15 0.64 -0.35 0.00 0.00 0.00 176.54 178.61 1u1e s ASP 27 N -7.40 6.96 0.60 0.19 -1.08 -1.26 -1.45 116.67 113.23 1u1e s ASP 27 Ca -0.13 1.19 0.29 0.00 -0.52 0.00 0.00 52.55 53.38 1u1e s ASP 27 Cb 0.05 -2.49 1.62 0.00 -1.46 0.00 0.00 42.92 40.64 1u1e s ASP 27 CO 0.89 -0.61 2.03 1.55 0.52 0.00 0.00 175.17 179.55 1u1e h PRO 28 N 7.60 0.00 0.00 4.34 0.13 -1.88 -1.27 132.00 140.92 1u1e h PRO 28 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1u1e h PRO 28 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1u1e h PRO 28 CO 0.93 0.00 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.40 1u1e n ASP 29 N -3.67 0.66 0.11 1.44 10.43 -1.26 -3.17 116.55 121.09 1u1e n ASP 29 Ca 0.03 0.52 0.13 0.00 2.57 0.00 0.00 54.79 58.04 1u1e n ASP 29 Cb 0.43 -0.67 0.38 0.00 1.84 0.00 0.00 41.12 43.09 1u1e n ASP 29 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 1u1e h ARG 30 N 0.00 0.00 0.27 -1.24 2.43 -1.63 -3.38 114.38 110.82 1u1e h ARG 30 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1u1e h ARG 30 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1u1e h ARG 30 CO 0.00 0.00 -0.13 0.28 -1.51 0.00 0.00 179.97 178.61 1u1e h VAL 31 N 0.00 0.78 -0.83 0.20 2.07 -1.64 -1.78 116.25 115.05 1u1e h VAL 31 Ca 0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1u1e h VAL 31 Cb 0.75 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1u1e h VAL 31 CO 0.00 0.08 0.45 -0.08 0.02 0.00 0.00 177.57 178.03 1u1e h GLU 32 N -0.55 1.16 -0.82 1.57 4.81 -1.80 -1.75 114.58 117.21 1u1e h GLU 32 Ca -0.04 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1u1e h GLU 32 Cb 0.40 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1u1e h GLU 32 CO 0.06 0.86 0.47 0.87 -0.73 0.00 0.00 179.01 180.54 1u1e h LYS 33 N 1.17 1.12 -0.05 1.92 1.57 -1.71 -0.33 116.57 120.26 1u1e h LYS 33 Ca 0.29 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1u1e h LYS 33 Cb 0.04 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1u1e h LYS 33 CO -0.05 0.81 -0.07 0.82 -0.57 0.00 0.00 179.45 180.39 1u1e h ILE 34 N 1.13 1.40 0.00 1.86 2.04 -1.13 -3.24 117.51 119.57 1u1e h ILE 34 Ca 0.29 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1u1e h ILE 34 Cb -0.01 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1u1e h ILE 34 CO -0.05 0.36 -0.06 0.00 0.00 0.00 0.00 178.15 178.40 1u1e h ALA 35 N 0.51 1.69 0.00 1.87 0.00 -1.17 -2.11 119.26 120.05 1u1e h ALA 35 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1u1e h ALA 35 Cb 0.61 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1u1e h ALA 35 CO 0.02 0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.27 1u1e h ALA 36 N 1.94 1.03 0.00 0.00 0.00 -1.08 -2.57 119.26 118.59 1u1e h ALA 36 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u1e h ALA 36 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u1e h ALA 36 CO 0.01 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1u1e n LEU 37 N -3.21 0.00 0.00 0.00 4.77 -0.79 -4.86 117.00 112.90 1u1e n LEU 37 Ca 0.00 0.50 -0.22 0.00 -0.03 0.00 0.00 56.01 56.26 1u1e n LEU 37 Cb 0.32 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1u1e n LEU 37 CO 0.29 -0.04 0.03 0.23 -1.33 0.00 0.00 177.39 176.57 1u1e n MET 38 N -1.50 0.83 -3.19 3.23 2.81 -0.97 -5.13 117.12 113.21 1u1e n MET 38 Ca 0.07 -2.89 -0.34 0.00 -1.81 0.00 0.00 57.70 52.73 1u1e n MET 38 Cb 0.31 0.36 -0.06 0.00 -0.71 0.00 0.00 33.22 33.13 1u1e n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1u1e s ASP 39 N -3.65 6.84 -0.92 7.83 1.01 -0.14 -4.54 116.67 123.10 1u1e s ASP 39 Ca 0.23 1.25 -0.09 0.00 0.71 0.00 0.00 52.55 54.65 1u1e s ASP 39 Cb -0.02 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1u1e s ASP 39 CO 0.15 -0.09 0.64 0.29 0.21 0.00 0.00 175.17 176.37 1u1e n LYS 40 N 0.07 -1.23 -2.57 8.23 5.02 -1.26 0.61 118.16 127.02 1u1e n LYS 40 Ca 0.01 0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 56.56 1u1e n LYS 40 Cb 0.52 -2.83 -0.04 0.00 -0.02 0.00 0.00 35.03 32.67 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 -5.33 4.59 -0.03 1.97 0.04 -1.26 -4.27 135.00 130.71 1u1e s PRO 41 Ca 0.14 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1u1e s PRO 41 Cb -0.07 -3.33 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1u1e s PRO 41 CO 0.89 0.04 0.06 0.08 0.04 0.00 0.00 177.00 178.12 1u1e s VAL 42 N 0.15 -0.05 0.11 -0.36 1.01 0.42 -5.01 120.40 116.67 1u1e s VAL 42 Ca 0.51 0.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.37 1u1e s VAL 42 Cb -0.27 -0.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 1u1e s VAL 42 CO 0.32 0.08 1.33 -0.75 0.00 0.00 0.00 175.10 176.08 1u1e s LYS 43 N 1.00 4.36 -0.22 2.72 2.47 -1.26 -0.49 119.74 128.32 1u1e s LYS 43 Ca -0.08 2.00 -0.14 0.00 -1.56 0.00 0.00 55.97 56.19 1u1e s LYS 43 Cb -0.11 -3.26 -0.09 0.00 -1.46 0.00 0.00 37.83 32.90 1u1e s LYS 43 CO -0.03 -0.37 -0.32 1.28 0.16 0.00 0.00 175.35 176.07 1u1e n LEU 44 N 3.78 1.77 -3.46 5.43 4.77 -0.18 -4.89 117.00 124.23 1u1e n LEU 44 Ca 0.10 0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 56.28 1u1e n LEU 44 Cb 0.43 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1u1e n LEU 44 CO 0.58 0.24 0.52 0.00 -1.33 0.00 0.00 177.39 177.40 1u1e s ALA 45 N -2.57 -1.69 -0.19 -1.18 0.00 -1.02 -5.00 121.76 110.10 1u1e s ALA 45 Ca -0.32 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 1u1e s ALA 45 Cb 0.10 0.70 0.09 0.00 0.00 0.00 0.00 23.12 24.01 1u1e s ALA 45 CO 0.42 -0.74 0.24 0.45 0.00 0.00 0.00 175.76 176.13 1u1e s SER 46 N -2.64 1.09 -0.03 0.00 0.15 -1.26 -0.55 113.70 110.45 1u1e s SER 46 Ca 0.03 -0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 1u1e s SER 46 Cb -0.01 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 1u1e s SER 46 CO -0.11 -0.31 0.03 -1.00 1.20 0.00 0.00 173.24 173.05 1u1e s HIS 47 N 2.36 0.16 0.00 3.44 3.76 -0.33 -5.00 115.29 119.69 1u1e s HIS 47 Ca 0.07 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1u1e s HIS 47 Cb -0.15 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.15 1u1e s HIS 47 CO -0.12 -0.14 0.00 0.54 -0.85 0.00 0.00 174.74 174.17 1u1e n ARG 48 N 4.55 0.00 -0.10 1.40 1.74 -1.26 -0.97 116.66 122.02 1u1e n ARG 48 Ca -0.19 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.96 1u1e n ARG 48 Cb 0.50 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 32.19 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 1.59 -3.42 5.56 0.00 -1.26 -4.76 120.64 132.35 1u1e n GLU 49 Ca 0.00 -0.90 -0.44 0.00 0.00 0.00 0.00 57.16 55.82 1u1e n GLU 49 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 31.44 30.10 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 -1.73 3.33 -0.20 -1.84 0.40 -0.14 -4.12 117.98 113.68 1u1e s PHE 50 Ca 0.24 -1.55 -0.06 0.00 -0.60 0.00 0.00 56.93 54.95 1u1e s PHE 50 Cb 0.12 -3.67 -0.03 0.00 0.51 0.00 0.00 43.02 39.96 1u1e s PHE 50 CO 0.18 -1.01 0.03 0.99 0.70 0.00 0.00 175.22 176.11 1u1e s THR 51 N 1.49 4.30 -0.08 0.64 2.01 -1.26 -1.18 115.64 121.56 1u1e s THR 51 Ca 0.04 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1u1e s THR 51 Cb -0.28 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 1u1e s THR 51 CO 0.01 0.43 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.25 1u1e s THR 52 N 0.83 2.14 0.09 -0.82 2.01 0.28 -1.54 115.64 118.63 1u1e s THR 52 Ca 0.02 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.08 1u1e s THR 52 Cb -0.14 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1u1e s THR 52 CO 0.02 0.56 -0.19 0.26 -0.69 0.00 0.00 174.62 174.58 1u1e s TRP 53 N 0.10 1.67 -0.04 4.92 0.52 0.52 -1.01 118.94 125.62 1u1e s TRP 53 Ca -0.11 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 55.63 1u1e s TRP 53 Cb -0.16 -0.93 -0.03 0.00 -1.15 0.00 0.00 33.47 31.21 1u1e s TRP 53 CO 0.06 0.16 -0.15 0.50 0.02 0.00 0.00 176.95 177.55 1u1e s ARG 54 N -1.77 2.46 0.21 4.98 3.52 0.36 -0.57 118.95 128.15 1u1e s ARG 54 Ca 0.05 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 1u1e s ARG 54 Cb -0.10 -2.36 -0.00 0.00 -1.56 0.00 0.00 34.95 30.93 1u1e s ARG 54 CO 0.03 0.62 0.26 0.00 -0.81 0.00 0.00 175.30 175.40 1u1e n ALA 55 N 2.23 0.02 -2.43 6.12 0.00 -0.41 -0.43 120.51 125.61 1u1e n ALA 55 Ca -0.17 -1.07 -0.27 0.00 0.00 0.00 0.00 53.44 51.93 1u1e n ALA 55 Cb 0.52 0.86 -0.15 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.61 1.64 -0.17 0.00 2.12 0.20 -0.59 118.70 119.29 1u1e s GLU 56 Ca 0.20 -0.85 -0.04 0.00 0.36 0.00 0.00 54.97 54.65 1u1e s GLU 56 Cb 0.00 -1.65 0.06 0.00 0.26 0.00 0.00 34.13 32.80 1u1e s GLU 56 CO 0.14 0.44 0.06 -1.17 -0.54 0.00 0.00 175.26 174.20 1u1e s LEU 57 N -0.77 0.73 -1.45 2.70 2.96 0.39 -0.96 118.68 122.28 1u1e s LEU 57 Ca 0.08 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.24 1u1e s LEU 57 Cb -0.09 -0.41 0.05 0.00 0.50 0.00 0.00 46.19 46.25 1u1e s LEU 57 CO 0.00 -0.32 0.74 0.47 -1.32 0.00 0.00 176.35 175.93 1u1e n ASP 58 N 5.17 -5.00 0.00 3.68 10.43 -1.26 -1.76 116.55 127.81 1u1e n ASP 58 Ca -0.08 -0.50 0.00 0.00 2.57 0.00 0.00 54.79 56.79 1u1e n ASP 58 Cb 0.48 -4.04 0.00 0.00 1.84 0.00 0.00 41.12 39.41 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 -1.51 0.80 3.39 0.44 0.00 -1.26 -5.05 105.19 102.00 1u1e n GLY 59 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.35 3.16 0.24 1.61 1.02 -0.72 -5.09 119.74 119.61 1u1e s LYS 60 Ca 0.00 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 1u1e s LYS 60 Cb 0.00 -2.56 -0.10 0.00 -0.52 0.00 0.00 37.83 34.65 1u1e s LYS 60 CO 0.00 0.31 1.52 -1.25 -0.92 0.00 0.00 175.35 175.01 1u1e s PRO 61 N 0.09 4.21 -0.00 -1.68 0.04 -1.26 -0.46 135.00 135.94 1u1e s PRO 61 Ca -0.06 2.41 0.03 0.00 0.04 0.00 0.00 61.00 63.42 1u1e s PRO 61 Cb -0.15 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1u1e s PRO 61 CO 0.05 -0.53 -0.09 0.08 0.04 0.00 0.00 177.00 176.54 1u1e s VAL 62 N 0.29 0.73 -0.07 -0.36 1.01 0.24 -4.40 120.40 117.84 1u1e s VAL 62 Ca 0.63 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1u1e s VAL 62 Cb -0.44 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1u1e s VAL 62 CO 0.42 0.16 0.18 -0.63 0.00 0.00 0.00 175.10 175.22 1u1e s ILE 63 N -0.32 5.45 -0.16 2.22 -1.09 -0.65 -1.28 121.20 125.37 1u1e s ILE 63 Ca 0.03 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.59 1u1e s ILE 63 Cb -0.04 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.39 1u1e s ILE 63 CO -0.00 0.51 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.36 1u1e s VAL 64 N -1.14 1.78 -0.03 2.92 1.01 0.26 -0.59 120.40 124.63 1u1e s VAL 64 Ca 0.20 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 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 0.10 0.49 0.04 0.00 0.00 0.00 0.00 175.10 175.73 1u1e s SER 66 N 1.40 7.00 -0.15 0.00 1.04 -0.59 -3.55 113.70 118.84 1u1e s SER 66 Ca -0.05 2.01 0.18 0.00 0.48 0.00 0.00 55.95 58.57 1u1e s SER 66 Cb -0.13 -2.59 -0.26 0.00 0.10 0.00 0.00 66.02 63.14 1u1e s SER 66 CO -0.03 -0.32 0.17 0.35 0.98 0.00 0.00 173.24 174.38 1u1e n THR 67 N 0.27 1.01 0.00 2.02 -2.24 -0.18 -4.38 114.28 110.78 1u1e n THR 67 Ca 0.03 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1u1e n THR 67 Cb 0.49 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 1.68 -1.16 3.71 3.38 0.00 -0.53 -3.65 105.19 108.61 1u1e n GLY 68 Ca -0.25 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.17 4.92 0.00 -0.61 1.01 -1.26 -4.68 121.20 119.41 1u1e s ILE 69 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 60.65 62.48 1u1e s ILE 69 Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1u1e s ILE 69 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1u1e n GLY 70 N 3.04 2.27 0.33 6.18 0.00 -1.25 -4.69 105.19 111.07 1u1e n GLY 70 Ca 0.04 -1.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 1.25 0.37 -0.02 0.00 -1.86 -2.81 103.07 100.00 1u1e h GLY 71 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.94 1u1e h GLY 71 CO 0.00 0.36 -0.29 -2.55 0.00 0.00 0.00 176.54 174.05 1u1e h PRO 72 N 1.07 -0.44 0.00 4.80 0.11 -1.94 0.33 132.00 135.93 1u1e h PRO 72 Ca 0.34 0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.36 1u1e h PRO 72 Cb 0.01 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1u1e h PRO 72 CO -0.12 -0.29 -0.59 0.66 -0.21 0.00 0.00 178.00 177.45 1u1e h SER 73 N -0.45 0.00 -0.31 -2.05 4.64 -1.81 -2.83 113.55 110.74 1u1e h SER 73 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1u1e h SER 73 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1u1e h SER 73 CO -0.24 0.59 0.19 0.74 -0.87 0.00 0.00 176.83 177.24 1u1e h THR 74 N 0.00 1.10 -0.55 2.95 2.02 -1.22 -1.97 112.91 115.24 1u1e h THR 74 Ca -0.01 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1u1e h THR 74 Cb 1.05 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1u1e h THR 74 CO 0.08 0.09 0.34 0.77 0.37 0.00 0.00 175.52 177.17 1u1e h SER 75 N 0.40 0.64 0.05 4.18 4.64 -0.14 -0.58 113.55 122.75 1u1e h SER 75 Ca 0.11 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1u1e h SER 75 Cb -0.01 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1u1e h SER 75 CO -0.02 0.49 -0.03 0.40 -0.87 0.00 0.00 176.83 176.80 1u1e h ILE 76 N 0.75 1.20 -0.29 0.95 2.04 -1.32 -2.48 117.51 118.37 1u1e h ILE 76 Ca 0.20 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1u1e h ILE 76 Cb -0.05 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1u1e h ILE 76 CO -0.04 0.22 0.19 0.00 0.00 0.00 0.00 178.15 178.52 1u1e h ALA 77 N 0.44 0.37 -0.46 1.87 0.00 -0.98 -1.56 119.26 118.93 1u1e h ALA 77 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1u1e h ALA 77 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1u1e h ALA 77 CO 0.01 -0.17 0.03 0.28 0.00 0.00 0.00 179.25 179.40 1u1e h VAL 78 N 0.39 1.26 -0.40 0.00 2.07 -1.21 -0.56 116.25 117.80 1u1e h VAL 78 Ca 0.11 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1u1e h VAL 78 Cb -0.04 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1u1e h VAL 78 CO -0.02 0.35 0.20 -0.08 0.02 0.00 0.00 177.57 178.03 1u1e h GLU 79 N 0.65 0.58 -0.02 1.57 4.57 -1.33 -0.55 114.58 120.06 1u1e h GLU 79 Ca 0.13 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 1u1e h GLU 79 Cb 0.46 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1u1e h GLU 79 CO 0.02 0.50 -0.73 0.93 -1.18 0.00 0.00 179.01 178.54 1u1e h GLU 80 N 0.51 0.15 -0.50 1.92 5.08 -1.18 -1.25 114.58 119.30 1u1e h GLU 80 Ca 0.14 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1u1e h GLU 80 Cb 0.11 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1u1e h GLU 80 CO -0.02 0.82 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.64 1u1e h LEU 81 N 0.10 0.92 -0.90 1.33 3.38 -1.02 -2.48 115.31 116.64 1u1e h LEU 81 Ca -0.02 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1u1e h LEU 81 Cb 1.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1u1e h LEU 81 CO 0.11 1.04 0.25 0.00 0.09 0.00 0.00 178.44 179.93 1u1e h ALA 82 N 1.04 1.12 -0.32 1.53 0.00 -0.79 0.02 119.26 121.86 1u1e h ALA 82 Ca 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1u1e h ALA 82 Cb 0.63 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1u1e h ALA 82 CO 0.04 0.62 0.06 1.96 0.00 0.00 0.00 179.25 181.93 1u1e h GLN 83 N 1.03 0.47 -0.00 0.00 4.20 -1.08 -2.64 115.11 117.09 1u1e h GLN 83 Ca 0.23 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1u1e h GLN 83 Cb 0.24 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1u1e h GLN 83 CO -0.01 0.46 -0.23 1.28 -0.67 0.00 0.00 178.83 179.65 1u1e n LEU 84 N -4.34 0.59 0.00 1.46 4.77 -0.88 -4.92 117.00 113.68 1u1e n LEU 84 Ca 0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1u1e n LEU 84 Cb 0.19 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1u1e n LEU 84 CO 0.38 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1u1e n GLY 85 N 1.37 1.02 3.72 -0.72 0.00 -0.72 -4.79 105.19 105.07 1u1e n GLY 85 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.88 4.20 -0.00 -0.61 -1.09 -0.09 -4.41 121.20 117.32 1u1e s ILE 86 Ca 0.00 1.65 0.00 0.00 -2.23 0.00 0.00 60.65 60.08 1u1e s ILE 86 Cb 0.00 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 1u1e s ILE 86 CO 0.00 0.17 0.01 0.54 -1.23 0.00 0.00 174.94 174.43 1u1e n ARG 87 N 3.49 0.49 -4.65 2.79 5.12 0.47 -4.18 116.66 120.18 1u1e n ARG 87 Ca 0.06 -0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.69 1u1e n ARG 87 Cb 0.47 -0.97 -0.17 0.00 -1.16 0.00 0.00 32.46 30.63 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 -1.96 1.66 -0.16 0.55 2.01 -0.43 -1.11 115.64 116.22 1u1e s THR 88 Ca -0.00 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1u1e s THR 88 Cb 0.00 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1u1e s THR 88 CO 0.01 0.47 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.89 1u1e s PHE 89 N 0.80 2.43 -0.28 4.92 0.40 0.82 -0.62 117.98 126.46 1u1e s PHE 89 Ca -0.10 -1.40 -0.02 0.00 -0.60 0.00 0.00 56.93 54.81 1u1e s PHE 89 Cb -0.16 -1.73 0.04 0.00 0.51 0.00 0.00 43.02 41.68 1u1e s PHE 89 CO 0.01 -0.72 -0.02 -0.51 0.70 0.00 0.00 175.22 174.68 1u1e s LEU 90 N 1.37 3.67 -0.11 -0.37 1.43 -0.09 -1.18 118.68 123.41 1u1e s LEU 90 Ca 0.04 -1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 51.81 1u1e s LEU 90 Cb -0.13 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1u1e s LEU 90 CO -0.11 -0.22 0.62 -0.60 0.23 0.00 0.00 176.35 176.27 1u1e s ARG 91 N 1.29 4.36 -0.12 1.70 3.52 -0.40 -0.56 118.95 128.74 1u1e s ARG 91 Ca -0.03 0.69 0.02 0.00 -0.13 0.00 0.00 55.73 56.28 1u1e s ARG 91 Cb -0.19 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1u1e s ARG 91 CO -0.02 0.03 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.81 1u1e s ILE 92 N 0.97 2.40 0.15 4.11 -1.16 -1.23 -0.78 121.20 125.66 1u1e s ILE 92 Ca 0.32 -0.89 0.01 0.00 -0.51 0.00 0.00 60.65 59.59 1u1e s ILE 92 Cb -0.16 -1.96 -0.00 0.00 0.61 0.00 0.00 42.46 40.94 1u1e s ILE 92 CO 0.14 0.54 0.17 0.61 -2.81 0.00 0.00 174.94 173.60 1u1e n GLY 93 N 3.68 3.07 3.87 1.50 0.00 -0.76 -4.07 105.19 112.47 1u1e n GLY 93 Ca -0.19 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.59 4.79 0.06 2.61 -4.23 -1.26 -2.07 115.64 112.95 1u1e s THR 94 Ca 0.15 -1.05 -0.20 0.00 -1.18 0.00 0.00 61.69 59.41 1u1e s THR 94 Cb 0.00 -3.51 0.04 0.00 1.34 0.00 0.00 72.50 70.37 1u1e s THR 94 CO 0.10 -0.19 0.46 0.28 -0.54 0.00 0.00 174.62 174.73 1u1e s THR 95 N -1.87 0.05 -0.25 3.99 -1.32 -1.07 -4.84 115.64 110.32 1u1e s THR 95 Ca 0.33 -0.38 -0.05 0.00 -1.21 0.00 0.00 61.69 60.38 1u1e s THR 95 Cb -0.10 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1u1e s THR 95 CO 0.26 -0.21 0.01 -0.83 -2.21 0.00 0.00 174.62 171.64 1u1e s GLY 96 N -2.09 1.69 0.39 6.08 0.00 -1.14 -2.32 107.32 109.93 1u1e s GLY 96 Ca -0.04 -1.31 -0.24 0.00 0.00 0.00 0.00 44.72 43.13 1u1e s GLY 96 CO -0.03 0.53 1.01 0.00 0.00 0.00 0.00 173.10 174.61 1u1e s ALA 97 N 1.48 3.10 -0.54 3.20 0.00 0.34 -1.40 121.76 127.94 1u1e s ALA 97 Ca 0.04 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1u1e s ALA 97 Cb -0.16 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.77 1u1e s ALA 97 CO -0.01 -0.07 0.65 0.44 0.00 0.00 0.00 175.76 176.77 1u1e n ILE 98 N -0.07 0.02 -3.97 0.00 -5.35 0.39 -0.38 119.36 110.00 1u1e n ILE 98 Ca 0.05 -0.51 -0.36 0.00 -0.27 0.00 0.00 62.75 61.66 1u1e n ILE 98 Cb 0.51 1.08 -0.07 0.00 -1.74 0.00 0.00 39.64 39.41 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 -0.37 3.47 0.47 6.28 -1.52 -1.23 -4.75 119.66 122.00 1u1e s GLN 99 Ca 0.05 -0.21 0.15 0.00 -1.95 0.00 0.00 55.36 53.40 1u1e s GLN 99 Cb 0.04 -3.14 1.08 0.00 -0.22 0.00 0.00 33.01 30.77 1u1e s GLN 99 CO 0.05 0.67 2.03 -1.35 -0.25 0.00 0.00 175.29 176.45 1u1e h PRO 100 N 5.33 0.00 0.00 2.91 0.11 -1.96 -2.89 132.00 135.50 1u1e h PRO 100 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u1e h PRO 100 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u1e h PRO 100 CO 0.60 0.14 -0.03 -2.39 -0.21 0.00 0.00 178.00 176.11 1u1e n HIS 101 N -4.34 0.08 -3.38 0.65 1.44 -1.26 -4.71 115.22 103.70 1u1e n HIS 101 Ca -0.03 0.02 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 1u1e n HIS 101 Cb 0.21 -0.52 -0.08 0.00 0.12 0.00 0.00 29.99 29.72 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 -3.01 5.19 0.25 0.61 1.01 -1.09 -5.08 121.20 119.08 1u1e s ILE 102 Ca 0.14 0.71 0.06 0.00 0.00 0.00 0.00 60.65 61.55 1u1e s ILE 102 Cb 0.18 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1u1e s ILE 102 CO 0.55 0.24 0.33 0.20 0.00 0.00 0.00 174.94 176.26 1u1e s ASN 103 N 1.07 6.09 0.22 3.58 0.02 -1.26 -4.88 114.94 119.79 1u1e s ASN 103 Ca 0.19 -0.03 -0.31 0.00 -1.02 0.00 0.00 52.86 51.69 1u1e s ASN 103 Cb -0.15 -1.70 -0.11 0.00 0.02 0.00 0.00 41.25 39.31 1u1e s ASN 103 CO 0.08 -0.09 1.64 -0.69 0.02 0.00 0.00 177.10 178.06 1u1e s VAL 104 N -2.03 2.21 0.00 1.60 1.01 -1.26 -2.10 120.40 119.82 1u1e s VAL 104 Ca 0.35 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1u1e s VAL 104 Cb -0.09 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1u1e s VAL 104 CO 0.28 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1u1e n GLY 105 N 3.34 2.17 3.77 4.51 0.00 0.11 -5.01 105.19 114.07 1u1e n GLY 105 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.45 5.06 -0.12 1.61 1.11 -0.89 -4.71 116.67 117.27 1u1e s ASP 106 Ca 0.00 2.03 -0.03 0.00 0.18 0.00 0.00 52.55 54.73 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 -1.66 -0.03 0.54 1.18 0.00 0.00 175.17 175.20 1u1e s VAL 107 N -2.30 3.99 -0.13 -1.27 0.11 -0.11 -0.94 120.40 119.75 1u1e s VAL 107 Ca 0.68 -0.34 0.02 0.00 -2.93 0.00 0.00 61.98 59.40 1u1e s VAL 107 Cb -0.21 -2.71 -0.01 0.00 -1.53 0.00 0.00 36.38 31.92 1u1e s VAL 107 CO 0.41 0.54 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.78 1u1e s LEU 108 N -0.14 2.42 -0.21 2.54 1.43 0.08 -1.70 118.68 123.10 1u1e s LEU 108 Ca 0.03 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1u1e s LEU 108 Cb -0.13 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1u1e s LEU 108 CO 0.02 0.14 0.02 -0.69 0.23 0.00 0.00 176.35 176.07 1u1e s VAL 109 N 0.47 4.09 -0.23 -1.59 1.01 -0.65 -1.24 120.40 122.25 1u1e s VAL 109 Ca -0.12 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1u1e s VAL 109 Cb -0.16 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1u1e s VAL 109 CO 0.05 0.42 0.47 -0.89 0.00 0.00 0.00 175.10 175.15 1u1e s THR 110 N 1.02 5.12 0.03 3.92 2.01 -0.67 -2.60 115.64 124.48 1u1e s THR 110 Ca 0.02 0.82 -0.16 0.00 0.31 0.00 0.00 61.69 62.68 1u1e s THR 110 Cb -0.14 -3.79 -0.34 0.00 0.01 0.00 0.00 72.50 68.23 1u1e s THR 110 CO 0.02 0.15 1.02 0.71 -0.69 0.00 0.00 174.62 175.83 1u1e h THR 111 N 5.25 1.29 -2.61 -0.82 1.35 -1.64 -3.40 112.91 112.32 1u1e h THR 111 Ca -0.32 -2.64 0.06 0.00 -0.55 0.00 0.00 66.41 62.96 1u1e h THR 111 Cb 1.15 2.97 -0.13 0.00 -1.73 0.00 0.00 68.15 70.41 1u1e h THR 111 CO 0.71 0.79 0.36 0.00 -0.25 0.00 0.00 175.52 177.14 1u1e s ALA 112 N -2.68 -1.70 0.04 6.62 0.00 -1.26 -0.06 121.76 122.72 1u1e s ALA 112 Ca -0.09 0.69 0.08 0.00 0.00 0.00 0.00 51.96 52.64 1u1e s ALA 112 Cb 0.04 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 1u1e s ALA 112 CO 0.94 -0.76 -0.23 -1.12 0.00 0.00 0.00 175.76 174.60 1u1e s SER 113 N -2.64 2.74 0.01 0.00 0.01 -0.13 -2.05 113.70 111.64 1u1e s SER 113 Ca 0.04 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1u1e s SER 113 Cb -0.01 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 1u1e s SER 113 CO -0.09 0.21 1.30 -0.69 0.41 0.00 0.00 173.24 174.38 1u1e s VAL 114 N -0.76 3.90 -1.08 3.43 1.01 0.15 -4.36 120.40 122.68 1u1e s VAL 114 Ca 0.09 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 1u1e s VAL 114 Cb -0.09 -3.83 0.14 0.00 0.00 0.00 0.00 36.38 32.60 1u1e s VAL 114 CO 0.02 0.03 1.31 -0.13 0.00 0.00 0.00 175.10 176.33 1u1e s ARG 115 N 1.97 3.83 -0.50 2.72 0.52 -1.26 -1.59 118.95 124.64 1u1e s ARG 115 Ca 0.61 -2.09 0.03 0.00 -0.52 0.00 0.00 55.73 53.75 1u1e s ARG 115 Cb -0.30 -5.04 0.56 0.00 0.52 0.00 0.00 34.95 30.69 1u1e s ARG 115 CO 0.26 -1.82 1.86 1.28 0.02 0.00 0.00 175.30 176.90 1u1e n LEU 116 N 6.40 6.66 -4.63 2.53 4.77 -0.42 -4.97 117.00 127.34 1u1e n LEU 116 Ca 0.31 -3.95 -0.28 0.00 -0.03 0.00 0.00 56.01 52.06 1u1e n LEU 116 Cb 0.46 -0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1u1e n LEU 116 CO 0.58 1.30 -0.27 1.51 -1.33 0.00 0.00 177.39 179.18 1u1e s ASP 117 N -1.79 3.66 -0.22 -1.43 -4.77 -1.21 -1.62 116.67 109.28 1u1e s ASP 117 Ca 0.58 -1.49 0.04 0.00 -3.30 0.00 0.00 52.55 48.39 1u1e s ASP 117 Cb 0.48 0.01 -0.16 0.00 -1.09 0.00 0.00 42.92 42.15 1u1e s ASP 117 CO 0.05 -0.64 -0.16 0.61 0.70 0.00 0.00 175.17 175.73 1u1e n GLY 118 N -1.02 -0.41 0.26 2.12 0.00 -1.26 -4.68 105.19 100.20 1u1e n GLY 118 Ca -0.09 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 0.15 1.52 -0.75 4.61 0.00 -1.98 -2.56 119.26 120.26 1u1e h ALA 119 Ca -0.51 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.28 1u1e h ALA 119 Cb 1.85 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1u1e h ALA 119 CO -0.06 0.34 0.49 0.66 0.00 0.00 0.00 179.25 180.68 1u1e h SER 120 N 0.34 0.74 0.40 0.00 4.64 -1.85 -1.14 113.55 116.68 1u1e h SER 120 Ca 0.08 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1u1e h SER 120 Cb 0.28 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1u1e h SER 120 CO 0.01 0.50 0.00 -0.07 -0.87 0.00 0.00 176.83 176.40 1u1e h LEU 121 N 0.86 0.00 -0.10 5.97 3.38 -1.55 -1.55 115.31 122.31 1u1e h LEU 121 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1u1e h LEU 121 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1u1e h LEU 121 CO -0.10 0.00 -0.04 1.41 0.09 0.00 0.00 178.44 179.80 1u1e n HIS 122 N -2.99 0.00 -0.00 1.13 8.25 -0.43 -3.81 115.22 117.37 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 0.16 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.09 0.00 -3.62 4.41 3.01 -0.67 -5.08 117.46 114.42 1u1e n PHE 123 Ca 0.16 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.47 1u1e n PHE 123 Cb 0.23 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.63 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 -2.00 -1.60 0.82 4.37 0.00 -0.68 -5.01 121.76 117.66 1u1e s ALA 124 Ca -0.00 1.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.37 1u1e s ALA 124 Cb 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 23.12 22.61 1u1e s ALA 124 CO 0.01 -0.33 1.16 -1.25 0.00 0.00 0.00 175.76 175.35 1u1e s PRO 125 N -0.33 1.63 0.52 0.00 0.04 -1.26 -3.80 135.00 131.79 1u1e s PRO 125 Ca -0.05 1.58 0.28 0.00 0.04 0.00 0.00 61.00 62.85 1u1e s PRO 125 Cb -0.03 -1.79 1.40 0.00 0.04 0.00 0.00 34.50 34.11 1u1e s PRO 125 CO 0.04 -2.18 1.91 1.25 0.04 0.00 0.00 177.00 178.07 1u1e h LEU 126 N -1.14 0.06 -1.73 -3.56 5.85 -1.93 -0.73 115.31 112.13 1u1e h LEU 126 Ca -0.45 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1u1e h LEU 126 Cb 1.27 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1u1e h LEU 126 CO 0.46 0.03 -0.04 1.05 -0.34 0.00 0.00 178.44 179.60 1u1e h GLU 127 N 0.06 0.00 -6.56 1.25 9.09 -2.03 -3.43 114.58 112.97 1u1e h GLU 127 Ca 0.38 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.26 1u1e h GLU 127 Cb 1.43 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.55 1u1e h GLU 127 CO -0.03 0.04 0.67 0.12 0.05 0.00 0.00 179.01 179.86 1u1e s PHE 128 N -3.80 3.29 0.09 2.06 2.19 -0.28 -4.98 117.98 116.54 1u1e s PHE 128 Ca -0.00 1.08 -0.31 0.00 0.33 0.00 0.00 56.93 58.03 1u1e s PHE 128 Cb 0.10 -3.61 -0.06 0.00 -1.31 0.00 0.00 43.02 38.14 1u1e s PHE 128 CO 0.54 -2.04 1.20 -1.25 1.83 0.00 0.00 175.22 175.50 1u1e s PRO 129 N 0.88 4.44 -1.45 10.12 0.04 -1.26 -4.93 135.00 142.84 1u1e s PRO 129 Ca 0.62 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.32 1u1e s PRO 129 Cb -0.35 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 1u1e s PRO 129 CO 0.31 -0.23 2.41 0.00 0.04 0.00 0.00 177.00 179.53 1u1e n ALA 130 N 3.66 5.95 -2.78 8.56 0.00 -1.26 -4.75 120.51 129.89 1u1e n ALA 130 Ca 0.08 -3.70 -0.36 0.00 0.00 0.00 0.00 53.44 49.46 1u1e n ALA 130 Cb 0.46 -3.49 -0.06 0.00 0.00 0.00 0.00 19.45 16.36 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 3.03 5.36 0.53 0.00 0.11 -1.26 -0.95 120.40 127.22 1u1e s VAL 131 Ca 0.54 0.30 -0.16 0.00 -2.93 0.00 0.00 61.98 59.73 1u1e s VAL 131 Cb 0.15 -3.51 -0.07 0.00 -1.53 0.00 0.00 36.38 31.42 1u1e s VAL 131 CO -0.07 0.53 1.00 0.00 -3.33 0.00 0.00 175.10 173.23 1u1e s ALA 132 N -1.13 3.05 0.26 1.54 0.00 0.92 -4.69 121.76 121.71 1u1e s ALA 132 Ca 0.21 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1u1e s ALA 132 Cb -0.13 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 1u1e s ALA 132 CO 0.10 -0.33 1.38 0.34 0.00 0.00 0.00 175.76 177.24 1u1e s ASP 133 N -3.21 6.74 0.19 0.00 2.15 0.28 -4.92 116.67 117.89 1u1e s ASP 133 Ca 0.59 2.61 -0.12 0.00 0.43 0.00 0.00 52.55 56.06 1u1e s ASP 133 Cb -0.10 -2.63 0.11 0.00 -0.30 0.00 0.00 42.92 40.00 1u1e s ASP 133 CO 0.35 -0.62 1.84 0.15 -0.17 0.00 0.00 175.17 176.72 1u1e h PHE 134 N 4.67 0.83 -0.33 -5.34 3.04 -1.96 -0.56 116.94 117.28 1u1e h PHE 134 Ca -0.46 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.39 1u1e h PHE 134 Cb 1.22 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 1u1e h PHE 134 CO 0.59 0.54 -0.24 0.93 -2.02 0.00 0.00 178.31 178.12 1u1e h GLU 135 N 0.87 0.65 -0.22 1.11 5.08 -1.96 -1.07 114.58 119.04 1u1e h GLU 135 Ca 0.23 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1u1e h GLU 135 Cb -0.06 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1u1e h GLU 135 CO -0.05 0.83 -0.23 0.00 -1.00 0.00 0.00 179.01 178.57 1u1e h THR 137 N 0.23 1.21 -0.17 0.00 2.02 -1.04 -1.93 112.91 113.24 1u1e h THR 137 Ca 0.03 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.58 1u1e h THR 137 Cb 0.78 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1u1e h THR 137 CO 0.06 0.25 0.00 0.74 0.37 0.00 0.00 175.52 176.94 1u1e h THR 138 N 0.70 0.89 -0.71 3.16 2.02 -1.21 -1.64 112.91 116.11 1u1e h THR 138 Ca 0.17 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 1u1e h THR 138 Cb 0.19 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1u1e h THR 138 CO -0.02 0.01 0.43 0.00 0.37 0.00 0.00 175.52 176.31 1u1e h ALA 139 N 1.14 1.41 -0.18 6.16 0.00 -1.18 -0.15 119.26 126.45 1u1e h ALA 139 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1u1e h ALA 139 Cb 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1u1e h ALA 139 CO -0.13 0.51 -0.21 -0.07 0.00 0.00 0.00 179.25 179.35 1u1e h LEU 140 N 0.98 0.49 -0.65 0.00 3.38 -1.14 -0.50 115.31 117.88 1u1e h LEU 140 Ca 0.26 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1u1e h LEU 140 Cb -0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1u1e h LEU 140 CO -0.05 0.89 0.37 0.58 0.09 0.00 0.00 178.44 180.32 1u1e h VAL 141 N 0.10 1.20 -0.43 1.22 2.07 -1.06 -0.91 116.25 118.44 1u1e h VAL 141 Ca 0.02 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.94 1u1e h VAL 141 Cb 0.77 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1u1e h VAL 141 CO 0.05 0.22 -0.20 -0.33 0.02 0.00 0.00 177.57 177.33 1u1e h GLU 142 N 0.89 0.86 -0.46 1.57 5.08 -1.02 -2.50 114.58 119.00 1u1e h GLU 142 Ca 0.23 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1u1e h GLU 142 Cb 0.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1u1e h GLU 142 CO -0.04 0.98 -0.17 0.00 -1.00 0.00 0.00 179.01 178.78 1u1e h ALA 143 N 1.02 0.84 -0.62 3.43 0.00 -0.86 -1.57 119.26 121.51 1u1e h ALA 143 Ca 0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1u1e h ALA 143 Cb 0.73 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1u1e h ALA 143 CO 0.06 0.64 0.02 0.00 0.00 0.00 0.00 179.25 179.97 1u1e h ALA 144 N 1.03 0.86 0.00 0.00 0.00 -1.09 -2.47 119.26 117.60 1u1e h ALA 144 Ca 0.12 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1u1e h ALA 144 Cb 0.70 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1u1e h ALA 144 CO 0.05 0.67 -0.51 -0.22 0.00 0.00 0.00 179.25 179.24 1u1e h LYS 145 N 0.98 0.00 -0.42 0.00 1.63 -1.38 -2.30 116.57 115.08 1u1e h LYS 145 Ca 0.18 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.85 1u1e h LYS 145 Cb 0.54 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1u1e h LYS 145 CO 0.03 0.51 -0.26 1.03 -3.45 0.00 0.00 179.45 177.31 1u1e h SER 146 N 0.00 0.92 0.89 4.20 0.87 -0.92 -3.25 113.55 116.26 1u1e h SER 146 Ca -0.01 -0.36 -0.15 0.00 -1.23 0.00 0.00 61.79 60.04 1u1e h SER 146 Cb 0.94 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 1u1e h SER 146 CO 0.07 1.12 -1.19 0.16 -0.53 0.00 0.00 176.83 176.46 1u1e h ILE 147 N 0.76 0.60 -0.68 2.23 -0.00 -1.46 -3.49 117.51 115.47 1u1e h ILE 147 Ca 0.09 -2.06 0.00 0.00 -0.00 0.00 0.00 64.86 62.89 1u1e h ILE 147 Cb 0.82 2.13 0.00 0.00 -0.00 0.00 0.00 36.82 39.77 1u1e h ILE 147 CO 0.07 0.34 0.00 0.61 -0.00 0.00 0.00 178.15 179.17 1u1e n GLY 148 N 1.35 0.74 3.35 0.16 0.00 -0.89 -5.12 105.19 104.78 1u1e n GLY 148 Ca -0.07 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.23 2.08 -0.38 4.61 0.00 -1.06 -5.07 121.76 119.72 1u1e s ALA 149 Ca 0.00 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 1u1e s ALA 149 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1u1e s ALA 149 CO 0.00 0.21 1.32 0.99 0.00 0.00 0.00 175.76 178.27 1u1e s THR 150 N -2.28 4.05 -0.04 0.00 2.01 -1.26 -4.78 115.64 113.34 1u1e s THR 150 Ca 0.18 1.13 0.04 0.00 0.31 0.00 0.00 61.69 63.35 1u1e s THR 150 Cb -0.05 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1u1e s THR 150 CO 0.07 -0.69 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.29 1u1e s THR 151 N 4.85 3.10 -0.04 -0.82 2.01 -1.26 -0.94 115.64 122.54 1u1e s THR 151 Ca 0.57 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.86 1u1e s THR 151 Cb -0.14 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.14 1u1e s THR 151 CO 0.29 0.57 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.62 1u1e s HIS 152 N -0.76 1.61 -0.11 4.92 3.76 -0.69 -4.99 115.29 119.03 1u1e s HIS 152 Ca 0.12 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 1u1e s HIS 152 Cb -0.11 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 1u1e s HIS 152 CO 0.01 -0.18 -0.17 0.08 -0.85 0.00 0.00 174.74 173.64 1u1e s VAL 153 N 0.14 2.74 -4.41 -0.90 1.01 -1.26 -1.64 120.40 116.07 1u1e s VAL 153 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1u1e s VAL 153 Cb -0.12 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1u1e s VAL 153 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1u1e n GLY 154 N 3.35 -0.53 3.81 4.51 0.00 -1.07 -4.99 105.19 110.28 1u1e n GLY 154 Ca -0.18 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.90 4.71 -0.04 1.61 1.01 -1.26 -1.60 120.40 120.93 1u1e s VAL 155 Ca 0.00 1.20 0.06 0.00 0.00 0.00 0.00 61.98 63.25 1u1e s VAL 155 Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1u1e s VAL 155 CO 0.00 0.48 -0.22 -0.89 0.00 0.00 0.00 175.10 174.47 1u1e s THR 156 N -1.19 2.33 -0.29 3.92 2.01 -0.87 -1.33 115.64 120.22 1u1e s THR 156 Ca 0.32 -0.99 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 1u1e s THR 156 Cb -0.19 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1u1e s THR 156 CO 0.20 0.58 0.67 0.00 -0.69 0.00 0.00 174.62 175.37 1u1e s ALA 157 N -0.48 3.55 -0.36 7.40 0.00 0.05 0.32 121.76 132.23 1u1e s ALA 157 Ca 0.06 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 1u1e s ALA 157 Cb -0.11 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.93 1u1e s ALA 157 CO 0.01 -1.04 0.14 0.45 0.00 0.00 0.00 175.76 175.31 1u1e s SER 158 N 1.60 5.34 -0.08 0.00 0.15 -0.62 -1.63 113.70 118.45 1u1e s SER 158 Ca 0.27 -1.31 -0.00 0.00 0.70 0.00 0.00 55.95 55.60 1u1e s SER 158 Cb -0.15 -1.88 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 1u1e s SER 158 CO 0.11 -0.38 -0.05 -0.55 1.20 0.00 0.00 173.24 173.57 1u1e s SER 159 N 1.58 4.80 0.00 5.45 0.15 0.38 -1.30 113.70 124.75 1u1e s SER 159 Ca -0.00 0.01 0.17 0.00 0.70 0.00 0.00 55.95 56.83 1u1e s SER 159 Cb -0.21 -1.29 1.01 0.00 -1.71 0.00 0.00 66.02 63.83 1u1e s SER 159 CO 0.02 0.35 1.49 0.47 1.20 0.00 0.00 173.24 176.76 1u1e n ASP 160 N 2.31 0.00 -3.85 5.45 9.92 -0.64 -4.32 116.55 125.41 1u1e n ASP 160 Ca -0.18 -0.95 -0.12 0.00 -0.53 0.00 0.00 54.79 53.01 1u1e n ASP 160 Cb 0.53 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.89 1u1e n ASP 160 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1u1e s THR 161 N -2.00 0.03 0.05 -3.53 2.01 -1.26 -5.02 115.64 105.92 1u1e s THR 161 Ca 0.25 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 1u1e s THR 161 Cb 0.12 -0.26 -0.27 0.00 0.01 0.00 0.00 72.50 72.10 1u1e s THR 161 CO 0.20 -0.14 1.05 0.15 -0.69 0.00 0.00 174.62 175.19 1u1e h PHE 162 N 5.41 0.37 0.00 4.92 3.57 -1.97 -3.38 116.94 125.86 1u1e h PHE 162 Ca -0.27 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 60.96 1u1e h PHE 162 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1u1e h PHE 162 CO 0.47 1.25 0.00 0.66 -2.23 0.00 0.00 178.31 178.46 1u1e n TYR 163 N -3.45 0.00 -0.34 0.41 4.02 -1.26 -4.33 117.16 112.21 1u1e n TYR 163 Ca -0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.77 1u1e n TYR 163 Cb 1.02 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.47 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 1.25 0.00 -0.72 0.13 -1.88 0.28 132.00 131.06 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 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 30.85 1u1e h PRO 164 CO 0.00 0.84 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 1u1e n GLY 165 N -1.35 -1.32 1.05 1.56 0.00 -1.26 -0.99 105.19 102.88 1u1e n GLY 165 Ca 0.11 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.22 3.25 -3.92 1.61 6.02 -0.80 -4.93 117.38 116.38 1u1e n GLN 166 Ca 0.02 -2.68 -0.25 0.00 -0.01 0.00 0.00 57.00 54.09 1u1e n GLN 166 Cb 0.25 -1.74 -0.01 0.00 1.02 0.00 0.00 30.24 29.75 1u1e n GLN 166 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u1e n GLU 167 N 0.17 -3.53 -3.25 -1.09 1.02 -0.16 -4.93 120.64 108.87 1u1e n GLU 167 Ca 0.20 0.43 -0.38 0.00 -0.02 0.00 0.00 57.16 57.39 1u1e n GLU 167 Cb 0.80 -4.64 -0.06 0.00 -0.02 0.00 0.00 31.44 27.53 1u1e n GLU 167 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1u1e s ARG 168 N -6.48 4.34 -0.00 3.49 0.52 0.02 -4.96 118.95 115.87 1u1e s ARG 168 Ca 0.02 0.59 0.14 0.00 -0.52 0.00 0.00 55.73 55.96 1u1e s ARG 168 Cb -0.01 -3.41 -0.16 0.00 0.52 0.00 0.00 34.95 31.89 1u1e s ARG 168 CO 0.88 0.20 0.58 0.66 0.02 0.00 0.00 175.30 177.64 1u1e n TYR 169 N 3.44 0.00 -1.27 -0.53 4.02 -1.26 -4.31 117.16 117.24 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 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.79 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 -1.38 7.10 -4.18 7.72 5.75 -1.26 -4.19 116.55 126.12 1u1e n ASP 170 Ca 0.02 -2.57 -0.24 0.00 -0.01 0.00 0.00 54.79 51.99 1u1e n ASP 170 Cb 0.23 -1.48 -0.09 0.00 -1.03 0.00 0.00 41.12 38.76 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 2.66 0.69 0.15 2.12 -4.23 -1.26 -5.02 115.64 110.74 1u1e s THR 171 Ca 0.61 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.94 1u1e s THR 171 Cb 0.16 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.54 1u1e s THR 171 CO -0.05 0.00 1.73 0.22 -0.54 0.00 0.00 174.62 175.98 1u1e h TYR 172 N 1.92 0.09 0.17 3.99 5.03 -1.99 -3.12 116.97 123.07 1u1e h TYR 172 Ca -0.36 0.02 -0.31 0.00 2.58 0.00 0.00 58.73 60.66 1u1e h TYR 172 Cb 1.26 0.01 0.03 0.00 1.55 0.00 0.00 36.73 39.58 1u1e h TYR 172 CO 1.22 0.01 -1.33 0.66 -1.32 0.00 0.00 178.16 177.41 1u1e h SER 173 N 0.16 0.80 -0.10 -2.11 4.64 -1.97 -3.47 113.55 111.50 1u1e h SER 173 Ca 0.14 -0.79 -0.04 0.00 -0.47 0.00 0.00 61.79 60.63 1u1e h SER 173 Cb 0.16 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1u1e h SER 173 CO -0.20 1.61 -0.04 0.61 -0.87 0.00 0.00 176.83 177.94 1u1e n GLY 174 N 1.51 0.54 3.42 -0.77 0.00 -1.18 -5.02 105.19 103.67 1u1e n GLY 174 Ca -0.14 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.27 1.50 -0.06 1.61 1.70 -1.26 -4.93 118.95 116.24 1u1e s ARG 175 Ca 0.00 -1.55 0.03 0.00 -0.47 0.00 0.00 55.73 53.74 1u1e s ARG 175 Cb 0.00 -1.74 0.01 0.00 -0.57 0.00 0.00 34.95 32.65 1u1e s ARG 175 CO 0.00 0.36 -0.14 0.08 -1.08 0.00 0.00 175.30 174.52 1u1e s VAL 176 N -1.89 1.26 0.48 4.99 1.01 -1.26 -4.91 120.40 120.08 1u1e s VAL 176 Ca 0.21 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 1u1e s VAL 176 Cb -0.07 -1.12 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 1u1e s VAL 176 CO 0.10 0.38 1.14 0.55 0.00 0.00 0.00 175.10 177.27 1u1e n VAL 177 N 3.50 3.00 -0.30 2.92 3.14 -1.26 -4.64 118.33 124.69 1u1e n VAL 177 Ca -0.20 -0.50 0.13 0.00 -2.96 0.00 0.00 64.34 60.80 1u1e n VAL 177 Cb 0.52 -1.37 0.28 0.00 -1.06 0.00 0.00 33.84 32.21 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 1.45 0.12 -1.00 1.45 2.43 -2.00 -0.54 114.38 116.28 1u1e h ARG 178 Ca -0.48 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 58.83 1u1e h ARG 178 Cb 1.32 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.76 1u1e h ARG 178 CO 0.56 0.08 0.63 1.25 -1.51 0.00 0.00 179.97 180.98 1u1e h HIS 179 N 0.12 1.11 -0.02 2.20 2.76 -2.02 -2.14 115.15 117.16 1u1e h HIS 179 Ca 0.55 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.75 1u1e h HIS 179 Cb 1.12 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1u1e h HIS 179 CO -0.35 0.38 -0.17 1.19 -1.30 0.00 0.00 177.93 177.68 1u1e n PHE 180 N -4.66 0.00 -1.96 5.26 3.01 -0.28 -4.78 117.46 114.06 1u1e n PHE 180 Ca 0.20 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.24 1u1e n PHE 180 Cb 0.43 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 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 -2.17 4.18 -0.35 -1.08 -0.14 -0.81 -1.96 119.74 117.42 1u1e s LYS 181 Ca 0.25 2.25 0.00 0.00 -1.36 0.00 0.00 55.97 57.11 1u1e s LYS 181 Cb 0.19 -3.99 0.00 0.00 -1.68 0.00 0.00 37.83 32.36 1u1e s LYS 181 CO 0.40 -0.85 0.00 0.41 -0.76 0.00 0.00 175.35 174.55 1u1e n GLY 182 N 4.17 0.61 0.18 -3.33 0.00 -1.26 -4.94 105.19 100.63 1u1e n GLY 182 Ca 0.17 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 0.59 -0.42 1.61 4.64 -1.70 -3.07 113.55 115.19 1u1e h SER 183 Ca -0.07 -0.40 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1u1e h SER 183 Cb 0.37 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1u1e h SER 183 CO 0.10 1.17 0.28 -0.03 -0.87 0.00 0.00 176.83 177.47 1u1e h MET 184 N 0.32 0.55 -0.76 4.77 -1.53 -1.92 -1.17 114.93 115.18 1u1e h MET 184 Ca -0.05 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.19 1u1e h MET 184 Cb 1.39 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 32.28 1u1e h MET 184 CO 0.14 0.36 0.51 1.49 0.14 0.00 0.00 176.91 179.55 1u1e h GLU 185 N 0.57 1.00 -0.03 0.39 4.81 -1.97 0.48 114.58 119.83 1u1e h GLU 185 Ca 0.16 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1u1e h GLU 185 Cb -0.06 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 1u1e h GLU 185 CO -0.04 0.66 0.01 0.93 -0.73 0.00 0.00 179.01 179.85 1u1e h GLU 186 N 1.03 0.05 -0.79 1.92 4.39 -1.34 -2.00 114.58 117.84 1u1e h GLU 186 Ca 0.28 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 1u1e h GLU 186 Cb -0.12 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 1u1e h GLU 186 CO -0.06 0.19 0.42 -1.49 -1.16 0.00 0.00 179.01 176.90 1u1e h TRP 187 N -0.10 1.10 -0.41 4.33 -0.00 -0.84 -1.97 115.95 118.06 1u1e h TRP 187 Ca 0.01 -0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 1u1e h TRP 187 Cb 0.16 -0.35 -0.03 0.00 -0.00 0.00 0.00 29.16 28.93 1u1e h TRP 187 CO -0.02 0.78 0.20 1.96 -0.00 0.00 0.00 178.44 181.36 1u1e h GLN 188 N 1.10 0.40 0.00 0.49 4.20 -0.85 -1.30 115.11 119.15 1u1e h GLN 188 Ca 0.28 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1u1e h GLN 188 Cb 0.06 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1u1e h GLN 188 CO -0.04 0.26 -0.14 0.00 -0.67 0.00 0.00 178.83 178.24 1u1e h ALA 189 N 1.22 1.10 -0.04 3.87 0.00 -1.13 -2.53 119.26 121.74 1u1e h ALA 189 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u1e h ALA 189 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u1e h ALA 189 CO -0.12 0.18 0.00 -1.33 0.00 0.00 0.00 179.25 177.97 1u1e n MET 190 N -3.40 1.54 -0.76 0.00 2.81 -0.75 -4.93 117.12 111.63 1u1e n MET 190 Ca -0.01 -0.79 0.00 0.00 -1.81 0.00 0.00 57.70 55.10 1u1e n MET 190 Cb 0.33 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 1.12 0.61 3.73 3.03 0.00 -0.95 -5.03 105.19 107.70 1u1e n GLY 191 Ca 0.19 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 2.74 0.03 1.61 1.01 -0.57 -4.59 120.40 118.63 1u1e s VAL 192 Ca 0.00 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 1u1e s VAL 192 Cb 0.00 -3.36 -0.34 0.00 0.00 0.00 0.00 36.38 32.67 1u1e s VAL 192 CO 0.00 0.06 0.98 0.24 0.00 0.00 0.00 175.10 176.39 1u1e h MET 193 N 6.11 0.50 -2.60 2.72 0.00 -1.53 -3.42 114.93 116.71 1u1e h MET 193 Ca -0.44 -0.85 0.13 0.00 0.00 0.00 0.00 59.70 58.54 1u1e h MET 193 Cb 1.21 0.32 -0.07 0.00 0.00 0.00 0.00 31.60 33.05 1u1e h MET 193 CO 0.85 1.41 0.38 0.54 0.00 0.00 0.00 176.91 180.09 1u1e s ASN 194 N -7.51 -0.23 -0.09 1.22 6.03 -1.26 -0.46 114.94 112.64 1u1e s ASN 194 Ca -0.09 -0.45 0.01 0.00 -1.03 0.00 0.00 52.86 51.30 1u1e s ASN 194 Cb 0.05 0.57 -0.02 0.00 -3.03 0.00 0.00 41.25 38.82 1u1e s ASN 194 CO 0.93 -1.05 -0.11 -0.31 -2.03 0.00 0.00 177.10 174.52 1u1e s TYR 195 N -3.52 2.82 0.06 1.54 4.12 -0.49 -0.77 117.35 121.10 1u1e s TYR 195 Ca 0.11 -0.31 -0.00 0.00 0.02 0.00 0.00 57.07 56.89 1u1e s TYR 195 Cb -0.03 -1.75 0.00 0.00 -1.52 0.00 0.00 41.96 38.66 1u1e s TYR 195 CO 0.03 0.05 0.08 -0.85 0.02 0.00 0.00 175.55 174.88 1u1e n GLU 196 N 2.85 0.12 0.00 -0.62 -0.00 -0.65 -2.89 120.64 119.44 1u1e n GLU 196 Ca -0.18 -0.47 0.00 0.00 -0.00 0.00 0.00 57.16 56.52 1u1e n GLU 196 Cb 0.53 0.45 0.00 0.00 -0.00 0.00 0.00 31.44 32.42 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 -0.10 0.63 0.00 3.44 2.81 -1.26 -0.47 117.12 122.17 1u1e n MET 197 Ca 0.00 -0.76 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 1u1e n MET 197 Cb 0.10 -0.86 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 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 -0.17 3.99 -0.25 0.03 4.71 -1.26 -3.42 120.64 124.27 1u1e n GLU 198 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1u1e n GLU 198 Cb 0.19 -0.66 0.05 0.00 -1.01 0.00 0.00 31.44 30.01 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 1.08 -0.55 1.62 4.64 -1.94 -1.82 113.55 116.58 1u1e h SER 199 Ca 0.00 -0.24 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1u1e h SER 199 Cb 0.00 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.76 1u1e h SER 199 CO 0.00 1.04 0.31 0.00 -0.87 0.00 0.00 176.83 177.32 1u1e h ALA 200 N 1.08 0.71 0.21 5.18 0.00 -1.87 0.15 119.26 124.72 1u1e h ALA 200 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1u1e h ALA 200 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1u1e h ALA 200 CO 0.01 0.01 -0.10 1.15 0.00 0.00 0.00 179.25 180.32 1u1e h THR 201 N 0.62 0.88 -0.12 0.00 2.02 -1.88 -2.07 112.91 112.36 1u1e h THR 201 Ca 0.23 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.89 1u1e h THR 201 Cb 0.07 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1u1e h THR 201 CO -0.12 0.12 0.02 0.25 0.37 0.00 0.00 175.52 176.15 1u1e h LEU 202 N -0.55 -0.00 -0.47 2.58 5.85 -1.15 -1.15 115.31 120.41 1u1e h LEU 202 Ca -0.03 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 1u1e h LEU 202 Cb 0.41 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1u1e h LEU 202 CO 0.05 0.02 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.80 1u1e h LEU 203 N 0.07 0.98 -0.11 2.25 3.38 -0.78 -1.93 115.31 119.17 1u1e h LEU 203 Ca 0.05 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1u1e h LEU 203 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1u1e h LEU 203 CO -0.08 1.20 -0.02 0.74 0.09 0.00 0.00 178.44 180.38 1u1e h THR 204 N 0.79 1.28 0.00 0.22 2.02 -1.32 -1.11 112.91 114.80 1u1e h THR 204 Ca 0.09 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 1u1e h THR 204 Cb 0.88 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1u1e h THR 204 CO 0.08 0.26 -0.36 0.00 0.37 0.00 0.00 175.52 175.87 1u1e h MET 205 N -0.11 0.00 0.13 6.66 -0.00 -1.20 -2.17 114.93 118.25 1u1e h MET 205 Ca 0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.56 1u1e h MET 205 Cb 0.41 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.03 1u1e h MET 205 CO 0.01 0.36 -0.77 0.00 -0.00 0.00 0.00 176.91 176.51 1u1e h ALA 207 N 0.07 1.10 -0.36 0.00 0.00 -1.15 -0.26 119.26 118.66 1u1e h ALA 207 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1u1e h ALA 207 Cb 1.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1u1e h ALA 207 CO 0.13 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 1u1e n SER 208 N -3.39 3.34 -0.03 0.00 3.41 -0.82 -4.34 113.62 111.79 1u1e n SER 208 Ca -0.01 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1u1e n SER 208 Cb 0.31 -0.23 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 1.42 1.25 -1.72 4.33 6.02 -0.96 -5.01 117.38 122.70 1u1e n GLN 209 Ca 0.19 -1.02 -0.05 0.00 -0.01 0.00 0.00 57.00 56.11 1u1e n GLN 209 Cb 0.59 -0.74 -0.01 0.00 1.02 0.00 0.00 30.24 31.10 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 -0.26 0.41 3.60 1.08 0.00 -1.00 -5.03 105.19 103.97 1u1e n GLY 210 Ca 0.01 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.42 3.22 -0.06 0.99 1.43 -0.15 -5.06 118.68 117.64 1u1e s LEU 211 Ca 0.00 -0.06 -0.25 0.00 -1.03 0.00 0.00 54.13 52.79 1u1e s LEU 211 Cb 0.00 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1u1e s LEU 211 CO 0.00 0.33 0.76 -0.13 0.23 0.00 0.00 176.35 177.54 1u1e s ARG 212 N -1.10 4.46 -0.01 1.70 0.52 -0.26 -3.88 118.95 120.37 1u1e s ARG 212 Ca 0.15 1.00 0.02 0.00 -0.52 0.00 0.00 55.73 56.38 1u1e s ARG 212 Cb -0.11 -3.45 -0.00 0.00 0.52 0.00 0.00 34.95 31.90 1u1e s ARG 212 CO 0.04 0.03 -0.06 0.00 0.02 0.00 0.00 175.30 175.33 1u1e s ALA 213 N 0.89 0.55 0.17 2.13 0.00 -1.26 -0.12 121.76 124.11 1u1e s ALA 213 Ca 0.41 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1u1e s ALA 213 Cb -0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1u1e s ALA 213 CO 0.20 0.11 -0.15 0.20 0.00 0.00 0.00 175.76 176.12 1u1e s GLY 214 N 0.03 1.29 -0.05 0.00 0.00 -0.32 -0.56 107.32 107.71 1u1e s GLY 214 Ca 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 44.72 43.20 1u1e s GLY 214 CO -0.00 -1.59 0.01 -0.29 0.00 0.00 0.00 173.10 171.24 1u1e s MET 215 N -3.21 0.33 0.03 2.90 1.75 -1.26 -1.28 119.30 118.56 1u1e s MET 215 Ca 0.17 0.16 0.02 0.00 -1.25 0.00 0.00 55.69 54.79 1u1e s MET 215 Cb -0.03 -0.66 -0.02 0.00 2.84 0.00 0.00 34.83 36.96 1u1e s MET 215 CO 0.05 -0.24 -0.08 0.54 -0.65 0.00 0.00 175.02 174.65 1u1e s VAL 216 N 1.61 0.57 -0.04 10.11 0.11 0.04 -1.67 120.40 131.13 1u1e s VAL 216 Ca -0.01 -0.84 -0.16 0.00 -2.93 0.00 0.00 61.98 58.04 1u1e s VAL 216 Cb -0.13 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1u1e s VAL 216 CO -0.03 -0.20 0.36 0.00 -3.33 0.00 0.00 175.10 171.90 1u1e s ALA 217 N -0.97 -0.90 -0.21 1.54 0.00 -0.37 -1.83 121.76 119.02 1u1e s ALA 217 Ca -0.05 0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.36 1u1e s ALA 217 Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1u1e s ALA 217 CO 0.00 -0.26 0.15 0.20 0.00 0.00 0.00 175.76 175.86 1u1e s GLY 218 N -1.04 2.04 -0.21 0.00 0.00 -0.88 -0.74 107.32 106.49 1u1e s GLY 218 Ca -0.11 -0.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 1u1e s GLY 218 CO 0.04 0.22 1.22 0.14 0.00 0.00 0.00 173.10 174.72 1u1e s VAL 219 N 0.51 4.34 -0.35 1.40 1.01 -0.12 -2.61 120.40 124.59 1u1e s VAL 219 Ca 0.09 1.60 0.10 0.00 0.00 0.00 0.00 61.98 63.76 1u1e s VAL 219 Cb -0.12 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 1u1e s VAL 219 CO -0.00 -0.23 0.37 2.30 0.00 0.00 0.00 175.10 177.53 1u1e n ILE 220 N 5.57 0.00 -3.79 2.22 -5.35 -0.98 0.08 119.36 117.10 1u1e n ILE 220 Ca 0.14 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.23 1u1e n ILE 220 Cb 0.46 0.81 -0.11 0.00 -1.74 0.00 0.00 39.64 39.05 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 -2.14 0.01 -0.22 7.28 1.01 -1.24 -4.67 120.40 120.43 1u1e s VAL 221 Ca 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1u1e s VAL 221 Cb 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1u1e s VAL 221 CO 0.41 -0.04 -0.02 0.21 0.00 0.00 0.00 175.10 175.66 1u1e s ASN 222 N -0.04 4.53 0.50 3.32 3.84 -1.26 -0.50 114.94 125.32 1u1e s ASN 222 Ca -0.02 -0.32 0.26 0.00 0.21 0.00 0.00 52.86 52.99 1u1e s ASN 222 Cb -0.02 -1.78 1.29 0.00 -0.55 0.00 0.00 41.25 40.19 1u1e s ASN 222 CO 0.01 -0.00 2.00 0.03 -2.79 0.00 0.00 177.10 176.34 1u1e h ARG 223 N 7.98 0.00 0.00 0.43 2.47 -0.93 -1.61 114.38 122.73 1u1e h ARG 223 Ca -0.39 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1u1e h ARG 223 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1u1e h ARG 223 CO 0.60 0.16 -0.00 1.79 0.56 0.00 0.00 179.97 183.08 1u1e h THR 224 N 0.00 0.00 0.00 2.04 1.35 -1.86 -3.45 112.91 111.00 1u1e h THR 224 Ca -0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1u1e h THR 224 Cb 0.45 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1u1e h THR 224 CO 0.02 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 1u1e n GLN 225 N -3.10 0.00 -1.46 4.72 6.02 -0.61 -5.11 117.38 117.84 1u1e n GLN 225 Ca 0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.73 1u1e n GLN 225 Cb 0.50 0.00 0.11 0.00 1.02 0.00 0.00 30.24 31.87 1u1e n GLN 225 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1u1e s GLN 226 N 3.80 1.63 -0.10 -1.09 0.00 -1.21 -4.98 119.66 117.70 1u1e s GLN 226 Ca 0.00 0.59 0.07 0.00 -0.00 0.00 0.00 55.36 56.02 1u1e s GLN 226 Cb 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 33.01 31.03 1u1e s GLN 226 CO 0.00 -1.93 0.01 -1.91 0.00 0.00 0.00 175.29 171.46 1u1e n GLU 227 N -3.63 2.08 -2.92 9.60 4.07 -1.26 -4.28 120.64 124.30 1u1e n GLU 227 Ca 0.07 0.01 -0.42 0.00 -0.06 0.00 0.00 57.16 56.76 1u1e n GLU 227 Cb 0.57 -1.24 -0.05 0.00 -0.06 0.00 0.00 31.44 30.66 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 -2.23 4.74 0.51 6.31 1.01 -1.26 -5.01 121.20 125.27 1u1e s ILE 228 Ca -0.07 1.11 -0.10 0.00 0.00 0.00 0.00 60.65 61.59 1u1e s ILE 228 Cb 0.03 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1u1e s ILE 228 CO 0.36 -0.35 0.89 -2.16 0.00 0.00 0.00 174.94 173.68 1u1e s PRO 229 N 3.09 3.69 -0.07 2.79 0.05 -1.26 -5.06 135.00 138.22 1u1e s PRO 229 Ca 0.33 0.56 -0.21 0.00 0.05 0.00 0.00 61.00 61.73 1u1e s PRO 229 Cb -0.13 -2.25 -0.04 0.00 0.05 0.00 0.00 34.50 32.12 1u1e s PRO 229 CO 0.15 -0.28 0.61 1.21 0.05 0.00 0.00 177.00 178.74 1u1e s ASN 230 N -3.70 6.89 0.18 6.66 3.84 -1.26 -4.99 114.94 122.54 1u1e s ASN 230 Ca 0.53 1.06 -0.12 0.00 0.21 0.00 0.00 52.86 54.54 1u1e s ASN 230 Cb -0.10 -2.36 0.08 0.00 -0.55 0.00 0.00 41.25 38.31 1u1e s ASN 230 CO 0.42 -0.05 1.74 0.00 -2.79 0.00 0.00 177.10 176.42 1u1e h ALA 231 N 6.59 0.79 -0.61 1.71 0.00 -1.99 0.16 119.26 125.91 1u1e h ALA 231 Ca -0.42 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1u1e h ALA 231 Cb 1.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1u1e h ALA 231 CO 0.75 0.39 0.01 1.49 0.00 0.00 0.00 179.25 181.89 1u1e h GLU 232 N 0.85 1.07 -0.10 0.00 4.81 -2.01 -2.95 114.58 116.26 1u1e h GLU 232 Ca 0.21 -0.34 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 1u1e h GLU 232 Cb 0.18 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1u1e h GLU 232 CO -0.02 1.04 -0.50 1.15 -0.73 0.00 0.00 179.01 179.96 1u1e h THR 233 N 0.98 1.34 -0.38 0.32 2.02 -1.92 -2.98 112.91 112.31 1u1e h THR 233 Ca 0.17 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.60 1u1e h THR 233 Cb 0.55 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1u1e h THR 233 CO 0.03 0.52 0.15 0.24 0.37 0.00 0.00 175.52 176.83 1u1e h MET 234 N 0.21 0.56 -0.21 6.66 2.86 -0.81 -0.66 114.93 123.54 1u1e h MET 234 Ca 0.01 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 1u1e h MET 234 Cb 0.95 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1u1e h MET 234 CO 0.08 0.54 -0.46 0.87 1.06 0.00 0.00 176.91 178.99 1u1e h LYS 235 N 0.46 0.55 -0.46 1.72 6.56 -1.56 -1.81 116.57 122.04 1u1e h LYS 235 Ca 0.13 -0.31 -0.13 0.00 -1.06 0.00 0.00 60.65 59.28 1u1e h LYS 235 Cb 0.18 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 1u1e h LYS 235 CO -0.01 0.90 -0.24 1.96 -2.06 0.00 0.00 179.45 180.00 1u1e h GLN 236 N 0.44 0.97 -0.51 3.15 4.20 -1.41 -1.04 115.11 120.91 1u1e h GLN 236 Ca 0.03 -0.43 -0.09 0.00 0.06 0.00 0.00 58.65 58.22 1u1e h GLN 236 Cb 0.98 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1u1e h GLN 236 CO 0.09 1.10 -0.02 1.15 -0.67 0.00 0.00 178.83 180.48 1u1e h THR 237 N 0.81 1.26 -0.59 -0.54 2.02 -1.08 -1.74 112.91 113.06 1u1e h THR 237 Ca 0.10 -1.12 0.01 0.00 0.77 0.00 0.00 66.41 66.17 1u1e h THR 237 Cb 0.82 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1u1e h THR 237 CO 0.07 0.39 0.39 -0.08 0.37 0.00 0.00 175.52 176.66 1u1e h GLU 238 N 0.78 0.76 -0.65 6.66 4.81 -1.27 -2.07 114.58 123.60 1u1e h GLU 238 Ca 0.14 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1u1e h GLU 238 Cb 0.55 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1u1e h GLU 238 CO 0.03 0.50 0.30 1.03 -0.73 0.00 0.00 179.01 180.14 1u1e h SER 239 N 0.78 0.84 -0.04 1.04 0.87 -0.98 -0.16 113.55 115.91 1u1e h SER 239 Ca 0.22 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1u1e h SER 239 Cb -0.06 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1u1e h SER 239 CO -0.06 0.73 0.01 -0.74 -0.53 0.00 0.00 176.83 176.24 1u1e h HIS 240 N 0.93 0.06 -0.21 2.24 2.76 -1.05 -2.41 115.15 117.46 1u1e h HIS 240 Ca 0.23 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.28 1u1e h HIS 240 Cb 0.12 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1u1e h HIS 240 CO 0.01 0.23 -0.35 0.00 -1.30 0.00 0.00 177.93 176.52 1u1e h ALA 241 N 0.82 1.00 -0.64 5.26 0.00 -1.17 -2.61 119.26 121.92 1u1e h ALA 241 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1u1e h ALA 241 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1u1e h ALA 241 CO -0.00 0.60 0.07 0.28 0.00 0.00 0.00 179.25 180.21 1u1e h VAL 242 N 0.38 1.26 -0.73 0.00 2.07 -1.03 -1.96 116.25 116.24 1u1e h VAL 242 Ca 0.04 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 1u1e h VAL 242 Cb 0.80 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1u1e h VAL 242 CO 0.06 0.40 0.27 0.11 0.02 0.00 0.00 177.57 178.44 1u1e h LYS 243 N 1.00 1.10 -0.28 1.57 1.57 -1.22 -2.66 116.57 117.65 1u1e h LYS 243 Ca 0.19 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1u1e h LYS 243 Cb 0.47 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1u1e h LYS 243 CO 0.02 0.90 -0.02 0.82 -0.57 0.00 0.00 179.45 180.60 1u1e h ILE 244 N 1.07 1.27 -0.24 1.86 2.04 -1.22 -2.33 117.51 119.96 1u1e h ILE 244 Ca 0.24 -0.99 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 1u1e h ILE 244 Cb 0.23 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1u1e h ILE 244 CO -0.02 0.32 -0.23 1.62 0.00 0.00 0.00 178.15 179.83 1u1e h VAL 245 N 0.30 1.26 -0.27 1.67 3.04 -1.30 0.12 116.25 121.07 1u1e h VAL 245 Ca 0.08 -1.21 -0.19 0.00 -1.01 0.00 0.00 66.70 64.37 1u1e h VAL 245 Cb 0.47 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 1u1e h VAL 245 CO 0.02 0.38 -0.58 0.58 -1.01 0.00 0.00 177.57 176.96 1u1e h VAL 246 N 0.39 1.27 -0.53 1.51 2.07 -1.49 -1.49 116.25 117.99 1u1e h VAL 246 Ca 0.06 -1.76 -0.08 0.00 0.82 0.00 0.00 66.70 65.73 1u1e h VAL 246 Cb 0.63 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1u1e h VAL 246 CO 0.04 0.57 -0.00 -0.08 0.02 0.00 0.00 177.57 178.13 1u1e h GLU 247 N 0.66 0.90 -0.35 1.57 4.57 -1.08 -2.08 114.58 118.76 1u1e h GLU 247 Ca 0.00 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 57.81 1u1e h GLU 247 Cb 1.20 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1u1e h GLU 247 CO 0.13 0.89 -0.23 0.00 -1.18 0.00 0.00 179.01 178.62 1u1e h ALA 248 N 1.16 0.92 -0.46 2.92 0.00 -0.71 -2.85 119.26 120.25 1u1e h ALA 248 Ca 0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1u1e h ALA 248 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1u1e h ALA 248 CO 0.02 0.62 0.14 0.00 0.00 0.00 0.00 179.25 180.03 1u1e h ALA 249 N 1.12 1.38 -0.96 0.00 0.00 -0.98 -2.46 119.26 117.36 1u1e h ALA 249 Ca 0.09 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1u1e h ALA 249 Cb 0.73 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1u1e h ALA 249 CO 0.06 0.45 0.61 0.00 0.00 0.00 0.00 179.25 180.37 1u1e h ARG 250 N 0.67 1.07 0.00 0.00 3.08 -1.14 -2.41 114.38 115.65 1u1e h ARG 250 Ca 0.16 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1u1e h ARG 250 Cb 0.21 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1u1e h ARG 250 CO -0.01 0.71 0.00 0.54 -1.07 0.00 0.00 179.97 180.14 1u1e n ARG 251 N -4.55 0.26 0.00 0.04 1.74 -0.94 -3.58 116.66 109.62 1u1e n ARG 251 Ca 0.15 0.27 0.09 0.00 -0.77 0.00 0.00 57.85 57.58 1u1e n ARG 251 Cb 0.20 -1.83 -0.02 0.00 -1.02 0.00 0.00 32.46 29.79 1u1e n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1u1e n LEU 252 N -2.28 1.60 0.00 0.55 4.77 -0.93 -5.06 117.00 115.64 1u1e n LEU 252 Ca 0.05 -0.72 0.09 0.00 -0.03 0.00 0.00 56.01 55.40 1u1e n LEU 252 Cb 0.39 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.00 1u1e n LEU 252 CO 0.28 0.31 0.72 0.18 -1.33 0.00 0.00 177.39 177.55