#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 -0.49 0.00 -5.58 0.15 -1.26 -4.27 113.70 102.25 1u1e s SER 4 Ca 0.00 0.92 0.23 0.00 0.70 0.00 0.00 55.95 57.80 1u1e s SER 4 Cb 0.00 0.90 0.06 0.00 -1.71 0.00 0.00 66.02 65.26 1u1e s SER 4 CO 0.00 -0.17 1.12 0.47 1.20 0.00 0.00 173.24 175.86 1u1e n ASP 5 N 3.19 1.69 -4.39 5.45 10.43 0.47 -4.92 116.55 128.47 1u1e n ASP 5 Ca -0.16 -1.32 -0.20 0.00 2.57 0.00 0.00 54.79 55.69 1u1e n ASP 5 Cb 0.57 0.53 -0.10 0.00 1.84 0.00 0.00 41.12 43.95 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 -2.59 1.43 0.15 2.53 -7.23 -1.24 -5.05 120.40 108.40 1u1e s VAL 6 Ca 0.17 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1u1e s VAL 6 Cb 0.18 -2.40 -0.15 0.00 0.56 0.00 0.00 36.38 34.56 1u1e s VAL 6 CO 0.62 -0.32 1.35 -0.26 -0.31 0.00 0.00 175.10 176.19 1u1e h PHE 7 N 2.35 0.57 0.00 2.82 0.05 -1.95 -3.40 116.94 117.37 1u1e h PHE 7 Ca -0.39 -0.29 -0.03 0.00 3.82 0.00 0.00 57.97 61.08 1u1e h PHE 7 Cb 1.23 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 39.10 1u1e h PHE 7 CO 0.65 1.09 -1.12 0.72 -0.18 0.00 0.00 178.31 179.46 1u1e n HIS 8 N -3.77 0.00 0.18 -0.55 8.25 -1.26 -4.81 115.22 113.27 1u1e n HIS 8 Ca -0.06 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.44 1u1e n HIS 8 Cb 0.79 -0.08 0.34 0.00 1.12 0.00 0.00 29.99 32.15 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 -1.35 2.41 3.38 -1.92 -3.44 115.31 114.39 1u1e h LEU 9 Ca -0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1u1e h LEU 9 Cb 1.08 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.89 1u1e h LEU 9 CO -0.01 0.41 -0.32 0.61 0.09 0.00 0.00 178.44 179.23 1u1e n GLY 10 N -0.09 0.20 3.13 0.83 0.00 -1.26 -4.66 105.19 103.35 1u1e n GLY 10 Ca -0.01 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.86 2.26 0.29 0.99 1.43 -1.26 -4.79 118.68 113.73 1u1e s LEU 11 Ca 0.14 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.74 1u1e s LEU 11 Cb -0.06 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 1u1e s LEU 11 CO 0.32 -0.10 0.20 0.42 0.23 0.00 0.00 176.35 177.42 1u1e s THR 12 N -1.26 3.91 0.46 5.49 -4.23 -1.26 -0.39 115.64 118.36 1u1e s THR 12 Ca -0.04 -1.47 0.14 0.00 -1.18 0.00 0.00 61.69 59.14 1u1e s THR 12 Cb -0.10 -3.23 0.31 0.00 1.34 0.00 0.00 72.50 70.82 1u1e s THR 12 CO 0.02 -0.28 2.04 0.50 -0.54 0.00 0.00 174.62 176.36 1u1e h LYS 13 N 1.46 0.28 -0.03 3.99 3.64 -1.96 -2.20 116.57 121.74 1u1e h LYS 13 Ca -0.46 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 1u1e h LYS 13 Cb 1.25 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1u1e h LYS 13 CO 0.60 0.19 -0.43 -0.97 -2.27 0.00 0.00 179.45 176.57 1u1e h ASN 14 N 0.29 0.08 0.04 4.20 -0.73 -1.95 -2.79 115.58 114.72 1u1e h ASN 14 Ca 0.17 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 1u1e h ASN 14 Cb 0.32 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 1u1e h ASN 14 CO -0.04 0.50 -0.04 0.44 -0.37 0.00 0.00 177.43 177.93 1u1e h ASP 15 N 0.06 0.00 1.43 1.15 3.45 -1.80 -2.53 116.42 118.19 1u1e h ASP 15 Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 1u1e h ASP 15 Cb 0.79 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 1u1e h ASP 15 CO 0.06 0.04 -0.33 -0.07 -1.57 0.00 0.00 179.24 177.36 1u1e h LEU 16 N 0.00 0.00 1.81 1.55 4.07 -1.56 -3.48 115.31 117.71 1u1e h LEU 16 Ca -0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 1u1e h LEU 16 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1u1e h LEU 16 CO 0.00 0.33 -0.52 0.00 -1.08 0.00 0.00 178.44 177.17 1u1e n GLN 17 N -3.25 -3.23 -0.36 1.13 6.02 -0.96 -2.15 117.38 114.58 1u1e n GLN 17 Ca 0.02 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 1u1e n GLN 17 Cb 0.61 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 26.32 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 -1.19 0.76 3.76 1.08 0.00 -1.26 -4.83 105.19 103.50 1u1e n GLY 18 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.31 3.62 -0.14 4.61 0.00 -0.91 -4.92 121.76 121.70 1u1e s ALA 19 Ca 0.00 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.39 1u1e s ALA 19 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1u1e s ALA 19 CO 0.00 -0.83 0.22 0.25 0.00 0.00 0.00 175.76 175.40 1u1e n THR 20 N 1.72 0.00 -5.11 0.00 -2.24 -1.26 -4.32 114.28 103.07 1u1e n THR 20 Ca 0.05 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 1u1e n THR 20 Cb 0.40 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 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 -1.54 2.33 -0.05 3.22 0.20 -1.26 0.34 118.68 121.92 1u1e s LEU 21 Ca 0.01 -0.40 0.03 0.00 0.69 0.00 0.00 54.13 54.46 1u1e s LEU 21 Cb 0.02 -1.45 0.01 0.00 -0.43 0.00 0.00 46.19 44.34 1u1e s LEU 21 CO 0.06 0.27 -0.12 0.00 -0.29 0.00 0.00 176.35 176.28 1u1e s ALA 22 N -0.30 1.16 -0.16 5.97 0.00 -0.12 -1.98 121.76 126.34 1u1e s ALA 22 Ca 0.01 -0.42 -0.21 0.00 0.00 0.00 0.00 51.96 51.34 1u1e s ALA 22 Cb -0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1u1e s ALA 22 CO 0.03 0.15 0.60 0.42 0.00 0.00 0.00 175.76 176.96 1u1e s ILE 23 N 0.40 5.06 -0.56 0.00 1.01 0.84 -1.05 121.20 126.91 1u1e s ILE 23 Ca -0.09 1.17 0.04 0.00 0.00 0.00 0.00 60.65 61.77 1u1e s ILE 23 Cb -0.13 -3.93 0.14 0.00 0.01 0.00 0.00 42.46 38.56 1u1e s ILE 23 CO 0.02 0.18 0.32 0.68 0.00 0.00 0.00 174.94 176.15 1u1e s VAL 24 N 1.44 2.56 0.72 2.92 -7.23 0.60 -1.35 120.40 120.06 1u1e s VAL 24 Ca 0.29 -3.52 -0.11 0.00 -1.81 0.00 0.00 61.98 56.83 1u1e s VAL 24 Cb -0.16 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.05 1u1e s VAL 24 CO 0.12 -0.87 1.07 -2.16 -0.31 0.00 0.00 175.10 172.95 1u1e s PRO 25 N -0.56 2.74 0.07 4.82 0.04 -1.23 -3.47 135.00 137.41 1u1e s PRO 25 Ca 0.19 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 1u1e s PRO 25 Cb -0.20 -1.98 -0.23 0.00 0.04 0.00 0.00 34.50 32.14 1u1e s PRO 25 CO -0.05 -1.21 1.19 0.78 0.04 0.00 0.00 177.00 177.75 1u1e h GLY 26 N -0.80 0.79 -6.14 0.56 0.00 -1.83 -0.83 103.07 94.81 1u1e h GLY 26 Ca -0.45 -1.36 -0.60 0.00 0.00 0.00 0.00 47.33 44.92 1u1e h GLY 26 CO 0.58 1.20 0.27 -0.35 0.00 0.00 0.00 176.54 178.25 1u1e s ASP 27 N -7.27 6.69 0.53 0.19 -1.08 -1.26 -1.33 116.67 113.14 1u1e s ASP 27 Ca -0.10 0.85 0.20 0.00 -0.52 0.00 0.00 52.55 52.98 1u1e s ASP 27 Cb 0.07 -2.38 1.36 0.00 -1.46 0.00 0.00 42.92 40.51 1u1e s ASP 27 CO 0.92 -0.41 2.10 1.55 0.52 0.00 0.00 175.17 179.85 1u1e h PRO 28 N 7.77 0.00 0.00 4.34 0.13 -1.88 -2.09 132.00 140.27 1u1e h PRO 28 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 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 0.81 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.33 1u1e n ASP 29 N -4.41 0.56 0.06 1.44 10.43 -1.26 -2.85 116.55 120.53 1u1e n ASP 29 Ca 0.01 0.60 0.12 0.00 2.57 0.00 0.00 54.79 58.09 1u1e n ASP 29 Cb 0.27 -0.73 0.11 0.00 1.84 0.00 0.00 41.12 42.61 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 -0.31 -1.24 2.43 -1.79 -3.40 114.38 110.07 1u1e h ARG 30 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1u1e h ARG 30 Cb 0.49 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1u1e h ARG 30 CO 0.00 0.00 0.15 0.28 -1.51 0.00 0.00 179.97 178.89 1u1e h VAL 31 N 0.00 0.98 -0.83 0.20 2.07 -1.57 -2.43 116.25 114.67 1u1e h VAL 31 Ca 0.00 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1u1e h VAL 31 Cb 0.79 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1u1e h VAL 31 CO 0.00 0.06 0.45 -0.08 0.02 0.00 0.00 177.57 178.02 1u1e h GLU 32 N 0.31 1.17 -0.64 1.57 4.81 -1.79 -2.06 114.58 117.95 1u1e h GLU 32 Ca 0.13 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1u1e h GLU 32 Cb 0.05 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1u1e h GLU 32 CO -0.10 0.86 0.40 0.87 -0.73 0.00 0.00 179.01 180.32 1u1e h LYS 33 N 1.16 0.86 -0.31 1.92 1.57 -1.70 0.16 116.57 120.23 1u1e h LYS 33 Ca 0.29 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1u1e h LYS 33 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1u1e h LYS 33 CO -0.05 0.59 -0.28 0.82 -0.57 0.00 0.00 179.45 179.97 1u1e h ILE 34 N 0.87 1.30 -0.59 1.86 2.04 -1.34 -3.16 117.51 118.49 1u1e h ILE 34 Ca 0.23 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.62 1u1e h ILE 34 Cb -0.05 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1u1e h ILE 34 CO -0.05 0.46 0.22 0.00 0.00 0.00 0.00 178.15 178.79 1u1e h ALA 35 N 0.72 1.29 0.00 1.87 0.00 -1.13 -2.73 119.26 119.28 1u1e h ALA 35 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u1e h ALA 35 Cb 0.85 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1u1e h ALA 35 CO 0.07 0.52 -0.01 0.00 0.00 0.00 0.00 179.25 179.83 1u1e h ALA 36 N 1.40 1.03 0.00 0.00 0.00 -0.93 -1.75 119.26 119.01 1u1e h ALA 36 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1u1e h ALA 36 Cb 0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1u1e h ALA 36 CO -0.02 0.02 -0.07 1.25 0.00 0.00 0.00 179.25 180.43 1u1e h LEU 37 N 0.00 0.00-10.29 0.00 5.85 -1.51 -3.45 115.31 105.91 1u1e h LEU 37 Ca -0.00 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 58.27 1u1e h LEU 37 Cb 0.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1u1e h LEU 37 CO 0.00 0.07 -0.33 -0.04 -0.34 0.00 0.00 178.44 177.80 1u1e s MET 38 N -3.43 2.80 0.41 1.25 -1.94 -0.66 -5.10 119.30 112.63 1u1e s MET 38 Ca 0.04 -1.27 -0.23 0.00 -1.71 0.00 0.00 55.69 52.51 1u1e s MET 38 Cb 0.07 -2.64 -0.09 0.00 2.01 0.00 0.00 34.83 34.19 1u1e s MET 38 CO 0.62 -0.13 1.05 -0.51 -0.01 0.00 0.00 175.02 176.04 1u1e s ASP 39 N -4.21 6.69 -1.16 3.03 1.01 0.53 -4.35 116.67 118.22 1u1e s ASP 39 Ca 0.49 2.02 -0.30 0.00 0.71 0.00 0.00 52.55 55.48 1u1e s ASP 39 Cb -0.08 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.31 1u1e s ASP 39 CO 0.30 -0.54 0.70 0.29 0.21 0.00 0.00 175.17 176.13 1u1e n LYS 40 N -0.21 -0.51 -2.70 8.23 4.01 -1.26 0.23 118.16 125.94 1u1e n LYS 40 Ca 0.06 0.20 -0.41 0.00 -0.51 0.00 0.00 58.31 57.65 1u1e n LYS 40 Cb 0.50 -2.78 -0.05 0.00 -0.51 0.00 0.00 35.03 32.20 1u1e n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1u1e s PRO 41 N -6.96 4.71 0.01 1.97 0.04 -1.26 -4.22 135.00 129.29 1u1e s PRO 41 Ca 0.45 1.50 0.03 0.00 0.04 0.00 0.00 61.00 63.01 1u1e s PRO 41 Cb -0.23 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1u1e s PRO 41 CO 0.95 0.25 -0.09 0.08 0.04 0.00 0.00 177.00 178.23 1u1e s VAL 42 N -0.25 0.67 0.05 -0.36 1.01 0.37 -5.00 120.40 116.89 1u1e s VAL 42 Ca 0.46 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1u1e s VAL 42 Cb -0.25 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1u1e s VAL 42 CO 0.31 0.08 1.09 -0.75 0.00 0.00 0.00 175.10 175.82 1u1e s LYS 43 N -0.49 4.51 -0.24 2.72 2.20 -1.26 -0.83 119.74 126.34 1u1e s LYS 43 Ca 0.01 1.60 -0.12 0.00 -0.36 0.00 0.00 55.97 57.10 1u1e s LYS 43 Cb -0.05 -3.39 -0.11 0.00 -1.51 0.00 0.00 37.83 32.78 1u1e s LYS 43 CO 0.00 -0.12 -0.31 1.28 -0.36 0.00 0.00 175.35 175.84 1u1e n LEU 44 N 3.72 1.76 -3.55 5.43 4.77 -0.34 -4.93 117.00 123.86 1u1e n LEU 44 Ca 0.07 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.19 1u1e n LEU 44 Cb 0.48 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1u1e n LEU 44 CO 0.54 0.52 0.30 0.00 -1.33 0.00 0.00 177.39 177.42 1u1e s ALA 45 N -2.45 -1.39 -0.22 -1.18 0.00 -1.06 -5.02 121.76 110.44 1u1e s ALA 45 Ca -0.34 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 1u1e s ALA 45 Cb 0.13 0.41 0.11 0.00 0.00 0.00 0.00 23.12 23.77 1u1e s ALA 45 CO 0.43 -0.53 0.28 0.45 0.00 0.00 0.00 175.76 176.39 1u1e s SER 46 N -2.01 1.05 -0.03 0.00 0.15 -1.26 -0.34 113.70 111.26 1u1e s SER 46 Ca -0.05 -0.14 -0.00 0.00 0.70 0.00 0.00 55.95 56.47 1u1e s SER 46 Cb -0.01 0.63 0.03 0.00 -1.71 0.00 0.00 66.02 64.96 1u1e s SER 46 CO -0.02 -0.32 0.02 -1.00 1.20 0.00 0.00 173.24 173.11 1u1e s HIS 47 N 2.40 0.14 0.00 3.44 3.76 -0.32 -4.99 115.29 119.72 1u1e s HIS 47 Ca 0.09 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1u1e s HIS 47 Cb -0.15 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.21 1u1e s HIS 47 CO -0.15 -0.12 0.00 0.54 -0.85 0.00 0.00 174.74 174.16 1u1e n ARG 48 N 4.27 0.00 -0.14 1.40 1.74 -1.26 -0.73 116.66 121.94 1u1e n ARG 48 Ca -0.25 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 56.92 1u1e n ARG 48 Cb 0.50 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.23 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 1.94 -3.32 5.56 0.00 -1.26 -4.79 120.64 132.77 1u1e n GLU 49 Ca 0.00 -1.43 -0.46 0.00 0.00 0.00 0.00 57.16 55.27 1u1e n GLU 49 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 31.44 29.99 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 -1.63 3.28 -0.18 -1.84 0.40 0.09 -4.16 117.98 113.94 1u1e s PHE 50 Ca 0.32 -1.35 -0.05 0.00 -0.60 0.00 0.00 56.93 55.25 1u1e s PHE 50 Cb 0.18 -3.78 -0.03 0.00 0.51 0.00 0.00 43.02 39.89 1u1e s PHE 50 CO 0.25 -1.02 0.00 0.99 0.70 0.00 0.00 175.22 176.15 1u1e s THR 51 N 1.52 4.16 -0.09 0.64 2.01 -1.26 -1.17 115.64 121.45 1u1e s THR 51 Ca 0.04 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.82 1u1e s THR 51 Cb -0.29 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1u1e s THR 51 CO 0.02 0.46 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.30 1u1e s THR 52 N 0.56 1.92 0.13 -0.82 2.01 0.54 -1.74 115.64 118.24 1u1e s THR 52 Ca -0.01 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.14 1u1e s THR 52 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1u1e s THR 52 CO 0.02 0.53 -0.22 0.26 -0.69 0.00 0.00 174.62 174.52 1u1e s TRP 53 N 0.32 1.99 -0.02 4.92 0.52 0.82 -1.20 118.94 126.29 1u1e s TRP 53 Ca -0.16 -0.41 0.07 0.00 0.02 0.00 0.00 56.10 55.61 1u1e s TRP 53 Cb -0.17 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.07 1u1e s TRP 53 CO 0.08 0.30 -0.21 0.50 0.02 0.00 0.00 176.95 177.63 1u1e s ARG 54 N -2.19 2.21 0.16 4.98 3.52 -0.01 -0.53 118.95 127.08 1u1e s ARG 54 Ca 0.12 -0.87 -0.04 0.00 -0.13 0.00 0.00 55.73 54.81 1u1e s ARG 54 Cb -0.09 -2.16 -0.03 0.00 -1.56 0.00 0.00 34.95 31.11 1u1e s ARG 54 CO 0.06 0.58 0.16 0.00 -0.81 0.00 0.00 175.30 175.29 1u1e s ALA 55 N -0.69 0.59 -0.18 6.12 0.00 -0.06 -0.47 121.76 127.07 1u1e s ALA 55 Ca 0.11 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 1u1e s ALA 55 Cb -0.10 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1u1e s ALA 55 CO 0.00 -0.58 -0.01 -2.00 0.00 0.00 0.00 175.76 173.18 1u1e s GLU 56 N -4.04 3.70 -0.14 0.00 2.12 0.13 0.10 118.70 120.57 1u1e s GLU 56 Ca 0.25 -0.49 -0.00 0.00 0.36 0.00 0.00 54.97 55.08 1u1e s GLU 56 Cb 0.06 -3.03 0.03 0.00 0.26 0.00 0.00 34.13 31.45 1u1e s GLU 56 CO 0.04 0.16 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.65 1u1e s LEU 57 N 0.62 1.49 -1.36 2.70 2.96 0.61 -0.34 118.68 125.35 1u1e s LEU 57 Ca -0.01 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.33 1u1e s LEU 57 Cb -0.14 -0.97 0.06 0.00 0.50 0.00 0.00 46.19 45.65 1u1e s LEU 57 CO 0.02 -0.12 0.56 0.47 -1.32 0.00 0.00 176.35 175.96 1u1e n ASP 58 N 4.87 -4.20 -0.43 3.68 10.43 -1.26 -1.27 116.55 128.37 1u1e n ASP 58 Ca -0.13 -0.42 -0.04 0.00 2.57 0.00 0.00 54.79 56.76 1u1e n ASP 58 Cb 0.49 -3.45 -0.01 0.00 1.84 0.00 0.00 41.12 40.00 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 -1.28 0.36 2.89 0.44 0.00 -1.26 -5.05 105.19 101.29 1u1e n GLY 59 Ca -0.02 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.62 0.30 0.21 1.61 1.02 -0.40 -5.13 119.74 113.74 1u1e s LYS 60 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 1u1e s LYS 60 Cb 0.00 -0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 36.86 1u1e s LYS 60 CO 0.00 0.00 1.37 -1.25 -0.92 0.00 0.00 175.35 174.55 1u1e s PRO 61 N 0.31 4.33 -0.03 -1.68 0.04 -1.26 -0.29 135.00 136.43 1u1e s PRO 61 Ca -0.03 2.16 0.02 0.00 0.04 0.00 0.00 61.00 63.19 1u1e s PRO 61 Cb -0.06 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1u1e s PRO 61 CO -0.01 -0.34 -0.08 0.08 0.04 0.00 0.00 177.00 176.69 1u1e s VAL 62 N 0.20 0.71 -0.05 -0.36 1.01 0.11 -4.51 120.40 117.50 1u1e s VAL 62 Ca 0.59 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 1u1e s VAL 62 Cb -0.39 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1u1e s VAL 62 CO 0.39 0.23 0.31 -0.63 0.00 0.00 0.00 175.10 175.40 1u1e s ILE 63 N 0.30 5.21 -0.16 2.22 -1.09 -0.84 -0.88 121.20 125.97 1u1e s ILE 63 Ca -0.04 0.61 0.01 0.00 -2.23 0.00 0.00 60.65 58.99 1u1e s ILE 63 Cb -0.09 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1u1e s ILE 63 CO 0.00 0.57 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.41 1u1e s VAL 64 N -0.91 1.89 -0.04 2.92 1.01 0.31 -0.11 120.40 125.46 1u1e s VAL 64 Ca 0.20 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1u1e s VAL 64 Cb -0.15 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1u1e s VAL 64 CO 0.09 0.51 0.08 0.00 0.00 0.00 0.00 175.10 175.79 1u1e s SER 66 N 1.23 7.38 -0.05 0.00 1.04 -0.71 -3.55 113.70 119.04 1u1e s SER 66 Ca -0.08 1.81 0.20 0.00 0.48 0.00 0.00 55.95 58.36 1u1e s SER 66 Cb -0.12 -2.57 -0.25 0.00 0.10 0.00 0.00 66.02 63.18 1u1e s SER 66 CO -0.04 0.00 0.46 0.35 0.98 0.00 0.00 173.24 174.99 1u1e n THR 67 N 0.81 0.72 0.00 2.02 -2.24 -0.32 -4.36 114.28 110.92 1u1e n THR 67 Ca 0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1u1e n THR 67 Cb 0.49 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 1.44 -1.56 3.70 3.38 0.00 -0.44 -3.42 105.19 108.28 1u1e n GLY 68 Ca -0.14 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.51 4.46 0.00 -0.61 1.01 -1.26 -4.67 121.20 118.62 1u1e s ILE 69 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1u1e s ILE 69 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1u1e s ILE 69 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1u1e n GLY 70 N 3.19 2.33 0.19 6.18 0.00 -1.25 -4.70 105.19 111.13 1u1e n GLY 70 Ca 0.09 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 0.65 0.19 -0.02 0.00 -1.87 -2.69 103.07 99.34 1u1e h GLY 71 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.26 1u1e h GLY 71 CO 0.00 0.06 -0.19 -2.55 0.00 0.00 0.00 176.54 173.86 1u1e h PRO 72 N 0.41 -0.16 0.00 4.80 0.11 -1.94 0.35 132.00 135.56 1u1e h PRO 72 Ca 0.22 0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.19 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 -0.19 -0.11 -0.69 0.66 -0.21 0.00 0.00 178.00 177.47 1u1e h SER 73 N -0.17 0.00 -0.15 -2.05 4.64 -1.80 -2.88 113.55 111.14 1u1e h SER 73 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1u1e h SER 73 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1u1e h SER 73 CO -0.38 0.69 0.09 0.74 -0.87 0.00 0.00 176.83 177.10 1u1e h THR 74 N 0.00 1.02 -0.67 2.95 2.02 -1.12 -1.92 112.91 115.19 1u1e h THR 74 Ca -0.01 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1u1e h THR 74 Cb 1.35 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 1u1e h THR 74 CO 0.09 0.03 0.44 0.77 0.37 0.00 0.00 175.52 177.22 1u1e h SER 75 N 0.18 0.61 0.03 4.18 4.64 -0.18 -0.21 113.55 122.80 1u1e h SER 75 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1u1e h SER 75 Cb -0.01 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1u1e h SER 75 CO -0.02 0.40 -0.01 0.40 -0.87 0.00 0.00 176.83 176.72 1u1e h ILE 76 N 0.69 1.31 -0.19 0.95 2.04 -1.36 -2.66 117.51 118.30 1u1e h ILE 76 Ca 0.28 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1u1e h ILE 76 Cb 0.24 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1u1e h ILE 76 CO -0.09 0.28 0.11 0.00 0.00 0.00 0.00 178.15 178.45 1u1e h ALA 77 N 0.43 0.24 -0.28 1.87 0.00 -0.82 -1.63 119.26 119.07 1u1e h ALA 77 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1u1e h ALA 77 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1u1e h ALA 77 CO 0.01 -0.25 0.12 0.28 0.00 0.00 0.00 179.25 179.40 1u1e h VAL 78 N 0.22 1.17 -0.29 0.00 2.07 -1.17 -0.62 116.25 117.63 1u1e h VAL 78 Ca 0.07 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1u1e h VAL 78 Cb 0.03 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1u1e h VAL 78 CO -0.01 0.17 0.15 -0.08 0.02 0.00 0.00 177.57 177.82 1u1e h GLU 79 N 0.31 0.30 -0.10 1.57 4.57 -1.41 -0.05 114.58 119.76 1u1e h GLU 79 Ca 0.09 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.09 1u1e h GLU 79 Cb 0.16 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1u1e h GLU 79 CO -0.01 0.20 -0.64 0.93 -1.18 0.00 0.00 179.01 178.31 1u1e h GLU 80 N 0.31 0.39 -0.55 1.92 5.08 -1.20 -0.53 114.58 120.00 1u1e h GLU 80 Ca 0.12 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1u1e h GLU 80 Cb 0.03 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1u1e h GLU 80 CO -0.08 0.90 0.11 -0.07 -1.00 0.00 0.00 179.01 178.87 1u1e h LEU 81 N 0.28 0.81 -0.79 1.33 3.38 -1.01 -1.85 115.31 117.47 1u1e h LEU 81 Ca -0.01 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1u1e h LEU 81 Cb 1.18 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1u1e h LEU 81 CO 0.11 0.81 0.15 0.00 0.09 0.00 0.00 178.44 179.60 1u1e h ALA 82 N 1.30 1.01 -0.21 1.53 0.00 -0.50 -0.37 119.26 122.01 1u1e h ALA 82 Ca 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1u1e h ALA 82 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1u1e h ALA 82 CO 0.00 0.64 -0.01 1.96 0.00 0.00 0.00 179.25 181.85 1u1e h GLN 83 N 1.01 0.30 -0.00 0.00 4.20 -0.82 -2.54 115.11 117.26 1u1e h GLN 83 Ca 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1u1e h GLN 83 Cb 0.37 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1u1e h GLN 83 CO 0.00 0.33 -0.20 1.28 -0.67 0.00 0.00 178.83 179.57 1u1e n LEU 84 N -4.36 0.37 0.00 1.46 4.77 -0.72 -4.93 117.00 113.59 1u1e n LEU 84 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1u1e n LEU 84 Cb 0.19 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1u1e n LEU 84 CO 0.37 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1u1e n GLY 85 N 1.41 1.17 3.72 -0.72 0.00 -0.71 -4.75 105.19 105.31 1u1e n GLY 85 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1u1e n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1e s ILE 86 N -2.00 3.59 -0.00 -0.61 -1.09 -0.23 -4.56 121.20 116.29 1u1e s ILE 86 Ca 0.00 1.18 0.02 0.00 -2.23 0.00 0.00 60.65 59.62 1u1e s ILE 86 Cb 0.00 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1u1e s ILE 86 CO 0.00 0.12 0.04 0.54 -1.23 0.00 0.00 174.94 174.41 1u1e n ARG 87 N 3.57 0.51 -5.04 2.79 5.12 0.15 -4.19 116.66 119.58 1u1e n ARG 87 Ca 0.09 -0.02 -0.32 0.00 -1.93 0.00 0.00 57.85 55.68 1u1e n ARG 87 Cb 0.44 -1.05 -0.17 0.00 -1.16 0.00 0.00 32.46 30.53 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 -2.13 2.00 -0.14 0.55 2.01 -0.53 -1.49 115.64 115.92 1u1e s THR 88 Ca -0.01 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.03 1u1e s THR 88 Cb 0.01 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.79 1u1e s THR 88 CO 0.08 0.55 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.01 1u1e s PHE 89 N 0.49 2.39 -0.28 4.92 0.40 0.30 -0.94 117.98 125.26 1u1e s PHE 89 Ca -0.16 -1.24 0.01 0.00 -0.60 0.00 0.00 56.93 54.95 1u1e s PHE 89 Cb -0.17 -1.67 0.06 0.00 0.51 0.00 0.00 43.02 41.74 1u1e s PHE 89 CO 0.06 -0.61 -0.07 -0.51 0.70 0.00 0.00 175.22 174.79 1u1e s LEU 90 N 1.04 3.63 -0.02 -0.37 1.43 -0.21 -1.01 118.68 123.17 1u1e s LEU 90 Ca -0.03 -1.38 -0.24 0.00 -1.03 0.00 0.00 54.13 51.44 1u1e s LEU 90 Cb -0.15 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1u1e s LEU 90 CO -0.05 -0.22 0.74 -0.60 0.23 0.00 0.00 176.35 176.46 1u1e s ARG 91 N 1.14 4.46 -0.22 1.70 3.52 -0.35 -0.29 118.95 128.91 1u1e s ARG 91 Ca -0.07 0.98 -0.01 0.00 -0.13 0.00 0.00 55.73 56.50 1u1e s ARG 91 Cb -0.20 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 1u1e s ARG 91 CO -0.04 0.14 -0.10 -1.50 -0.81 0.00 0.00 175.30 172.99 1u1e s ILE 92 N 0.49 2.77 0.45 4.11 1.10 -1.23 -1.57 121.20 127.31 1u1e s ILE 92 Ca 0.39 -0.84 0.03 0.00 -0.51 0.00 0.00 60.65 59.72 1u1e s ILE 92 Cb -0.19 -2.29 -0.02 0.00 0.15 0.00 0.00 42.46 40.11 1u1e s ILE 92 CO 0.21 0.37 0.07 -0.83 -2.11 0.00 0.00 174.94 172.65 1u1e s GLY 93 N 1.36 2.77 0.22 1.50 0.00 0.10 -3.96 107.32 109.30 1u1e s GLY 93 Ca 0.03 -0.94 0.07 0.00 0.00 0.00 0.00 44.72 43.88 1u1e s GLY 93 CO -0.07 -2.00 0.09 -0.51 0.00 0.00 0.00 173.10 170.61 1u1e s THR 94 N -3.05 4.05 0.05 0.90 -4.23 -1.26 -2.09 115.64 110.00 1u1e s THR 94 Ca 0.17 -1.46 -0.20 0.00 -1.18 0.00 0.00 61.69 59.02 1u1e s THR 94 Cb 0.03 -3.12 0.04 0.00 1.34 0.00 0.00 72.50 70.79 1u1e s THR 94 CO 0.10 -0.25 0.46 0.28 -0.54 0.00 0.00 174.62 174.67 1u1e s THR 95 N -2.00 0.04 -0.30 3.99 -1.32 -0.84 -4.82 115.64 110.40 1u1e s THR 95 Ca 0.31 -0.37 -0.06 0.00 -1.21 0.00 0.00 61.69 60.36 1u1e s THR 95 Cb -0.08 -0.96 0.02 0.00 -1.51 0.00 0.00 72.50 69.96 1u1e s THR 95 CO 0.22 -0.20 0.06 -0.83 -2.21 0.00 0.00 174.62 171.66 1u1e s GLY 96 N -2.00 1.77 0.45 6.08 0.00 -1.12 -1.59 107.32 110.90 1u1e s GLY 96 Ca -0.05 -1.53 -0.22 0.00 0.00 0.00 0.00 44.72 42.92 1u1e s GLY 96 CO -0.02 0.66 1.03 0.00 0.00 0.00 0.00 173.10 174.76 1u1e s ALA 97 N 1.44 2.97 0.00 3.20 0.00 -0.06 -1.16 121.76 128.16 1u1e s ALA 97 Ca 0.01 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1u1e s ALA 97 Cb -0.18 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1u1e s ALA 97 CO 0.01 -0.21 0.71 0.44 0.00 0.00 0.00 175.76 176.71 1u1e n ILE 98 N -0.60 0.46 -4.29 0.00 -5.35 0.11 -0.28 119.36 109.41 1u1e n ILE 98 Ca 0.07 -0.69 -0.35 0.00 -0.27 0.00 0.00 62.75 61.51 1u1e n ILE 98 Cb 0.52 0.81 -0.10 0.00 -1.74 0.00 0.00 39.64 39.12 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 -0.46 3.34 0.53 6.28 -1.52 -1.23 -4.81 119.66 121.79 1u1e s GLN 99 Ca 0.00 -0.41 0.26 0.00 -1.95 0.00 0.00 55.36 53.26 1u1e s GLN 99 Cb 0.00 -2.91 1.47 0.00 -0.22 0.00 0.00 33.01 31.35 1u1e s GLN 99 CO 0.00 0.52 2.11 -1.35 -0.25 0.00 0.00 175.29 176.32 1u1e h PRO 100 N 5.78 0.00 0.00 2.91 0.11 -1.96 -2.76 132.00 136.09 1u1e h PRO 100 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.59 0.10 -0.09 -2.39 -0.21 0.00 0.00 178.00 176.00 1u1e n HIS 101 N -3.81 0.29 -3.36 0.65 1.44 -1.26 -4.74 115.22 104.43 1u1e n HIS 101 Ca -0.02 0.08 -0.39 0.00 -2.01 0.00 0.00 57.72 55.39 1u1e n HIS 101 Cb 0.20 -0.61 -0.08 0.00 0.12 0.00 0.00 29.99 29.62 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 -3.04 5.17 0.29 0.61 1.01 -1.04 -5.08 121.20 119.12 1u1e s ILE 102 Ca 0.12 0.72 0.06 0.00 0.00 0.00 0.00 60.65 61.55 1u1e s ILE 102 Cb 0.17 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1u1e s ILE 102 CO 0.58 0.21 0.39 0.20 0.00 0.00 0.00 174.94 176.31 1u1e s ASN 103 N 1.24 6.03 0.21 3.58 0.02 -1.26 -4.89 114.94 119.87 1u1e s ASN 103 Ca 0.19 -0.11 -0.31 0.00 -1.02 0.00 0.00 52.86 51.61 1u1e s ASN 103 Cb -0.15 -1.48 -0.11 0.00 0.02 0.00 0.00 41.25 39.53 1u1e s ASN 103 CO 0.09 -0.25 1.58 -0.69 0.02 0.00 0.00 177.10 177.85 1u1e s VAL 104 N -2.10 2.42 0.00 1.60 1.01 -1.26 -2.28 120.40 119.78 1u1e s VAL 104 Ca 0.39 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1u1e s VAL 104 Cb -0.09 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1u1e s VAL 104 CO 0.29 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1u1e n GLY 105 N 3.19 2.68 3.79 4.51 0.00 -0.91 -5.04 105.19 113.42 1u1e n GLY 105 Ca 0.12 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 -1.42 5.31 -0.09 1.61 1.01 -0.97 -4.79 116.67 117.34 1u1e s ASP 106 Ca 0.00 1.86 0.01 0.00 0.71 0.00 0.00 52.55 55.14 1u1e s ASP 106 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 1u1e s ASP 106 CO 0.00 -1.49 -0.12 0.54 0.21 0.00 0.00 175.17 174.31 1u1e s VAL 107 N -2.54 3.21 -0.15 -1.27 0.11 -0.23 -1.32 120.40 118.21 1u1e s VAL 107 Ca 0.64 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1u1e s VAL 107 Cb -0.18 -2.31 -0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1u1e s VAL 107 CO 0.43 0.56 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.88 1u1e s LEU 108 N -0.21 2.73 -0.20 2.54 1.43 0.29 -1.46 118.68 123.80 1u1e s LEU 108 Ca 0.01 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1u1e s LEU 108 Cb -0.13 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1u1e s LEU 108 CO 0.03 0.12 0.04 -0.69 0.23 0.00 0.00 176.35 176.08 1u1e s VAL 109 N 0.61 4.36 -0.24 -1.59 1.01 -0.34 -1.25 120.40 122.95 1u1e s VAL 109 Ca -0.07 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 1u1e s VAL 109 Cb -0.15 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1u1e s VAL 109 CO 0.03 0.43 0.43 -0.89 0.00 0.00 0.00 175.10 175.09 1u1e s THR 110 N 0.82 5.15 0.03 3.92 2.01 -0.66 -1.94 115.64 124.97 1u1e s THR 110 Ca 0.02 0.72 -0.08 0.00 0.31 0.00 0.00 61.69 62.67 1u1e s THR 110 Cb -0.14 -3.75 -0.30 0.00 0.01 0.00 0.00 72.50 68.31 1u1e s THR 110 CO 0.02 0.17 0.99 0.71 -0.69 0.00 0.00 174.62 175.82 1u1e h THR 111 N 5.27 1.30 -2.38 -0.82 1.35 -1.57 -3.41 112.91 112.66 1u1e h THR 111 Ca -0.32 -2.85 0.08 0.00 -0.55 0.00 0.00 66.41 62.77 1u1e h THR 111 Cb 1.16 2.91 -0.15 0.00 -1.73 0.00 0.00 68.15 70.33 1u1e h THR 111 CO 0.69 0.85 0.43 0.00 -0.25 0.00 0.00 175.52 177.24 1u1e s ALA 112 N -2.62 -1.78 0.06 6.62 0.00 -1.26 -0.53 121.76 122.25 1u1e s ALA 112 Ca -0.08 0.95 0.09 0.00 0.00 0.00 0.00 51.96 52.93 1u1e s ALA 112 Cb 0.06 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1u1e s ALA 112 CO 0.89 -0.68 -0.26 -1.12 0.00 0.00 0.00 175.76 174.60 1u1e s SER 113 N -2.43 3.24 -0.07 0.00 0.01 -0.07 -2.01 113.70 112.36 1u1e s SER 113 Ca 0.03 -0.61 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 1u1e s SER 113 Cb -0.01 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1u1e s SER 113 CO -0.09 0.24 1.24 -0.69 0.41 0.00 0.00 173.24 174.36 1u1e s VAL 114 N -0.87 4.20 -1.12 3.43 1.01 0.20 -4.33 120.40 122.92 1u1e s VAL 114 Ca 0.12 1.51 -0.18 0.00 0.00 0.00 0.00 61.98 63.44 1u1e s VAL 114 Cb -0.10 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.43 1u1e s VAL 114 CO 0.03 -0.03 1.41 -0.13 0.00 0.00 0.00 175.10 176.38 1u1e s ARG 115 N 2.54 3.85 -0.50 2.72 0.52 -1.26 -1.42 118.95 125.40 1u1e s ARG 115 Ca 0.57 -1.99 0.02 0.00 -0.52 0.00 0.00 55.73 53.81 1u1e s ARG 115 Cb -0.25 -5.17 0.57 0.00 0.52 0.00 0.00 34.95 30.62 1u1e s ARG 115 CO 0.21 -1.94 1.89 1.28 0.02 0.00 0.00 175.30 176.75 1u1e n LEU 116 N 7.00 6.76 -4.64 2.53 4.77 -0.41 -4.96 117.00 128.05 1u1e n LEU 116 Ca 0.35 -3.91 -0.29 0.00 -0.03 0.00 0.00 56.01 52.14 1u1e n LEU 116 Cb 0.47 -0.85 -0.09 0.00 -2.33 0.00 0.00 43.42 40.61 1u1e n LEU 116 CO 0.63 1.26 -0.26 1.51 -1.33 0.00 0.00 177.39 179.19 1u1e s ASP 117 N -1.69 3.61 -0.18 -1.43 -4.77 -1.22 -1.64 116.67 109.35 1u1e s ASP 117 Ca 0.58 -1.52 0.09 0.00 -3.30 0.00 0.00 52.55 48.40 1u1e s ASP 117 Cb 0.48 0.12 -0.17 0.00 -1.09 0.00 0.00 42.92 42.26 1u1e s ASP 117 CO 0.05 -0.69 -0.04 0.61 0.70 0.00 0.00 175.17 175.80 1u1e n GLY 118 N -1.04 -0.59 0.22 2.12 0.00 -1.26 -4.68 105.19 99.96 1u1e n GLY 118 Ca -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 0.47 1.25 -0.82 4.61 0.00 -1.98 -2.66 119.26 120.13 1u1e h ALA 119 Ca -0.45 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.21 1u1e h ALA 119 Cb 1.88 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1u1e h ALA 119 CO -0.02 0.50 0.53 0.66 0.00 0.00 0.00 179.25 180.93 1u1e h SER 120 N 0.26 0.77 0.34 0.00 4.64 -1.86 -1.58 113.55 116.12 1u1e h SER 120 Ca 0.04 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1u1e h SER 120 Cb 0.62 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1u1e h SER 120 CO 0.04 0.48 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.39 1u1e h LEU 121 N 0.87 0.00 0.00 5.97 3.38 -1.58 -1.80 115.31 122.15 1u1e h LEU 121 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1u1e h LEU 121 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1u1e h LEU 121 CO -0.13 0.03 0.00 1.41 0.09 0.00 0.00 178.44 179.83 1u1e n HIS 122 N -3.26 0.00 0.00 1.13 8.25 -0.59 -3.71 115.22 117.03 1u1e n HIS 122 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1u1e n HIS 122 Cb 0.17 -0.12 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 -1.12 0.00 -3.61 4.41 3.01 -0.74 -5.08 117.46 114.32 1u1e n PHE 123 Ca 0.19 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.50 1u1e n PHE 123 Cb 0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.90 -1.66 0.84 4.37 0.00 -0.84 -5.00 121.76 117.56 1u1e s ALA 124 Ca 0.00 1.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.48 1u1e s ALA 124 Cb 0.00 -0.68 0.10 0.00 0.00 0.00 0.00 23.12 22.54 1u1e s ALA 124 CO 0.00 -0.33 1.14 -1.25 0.00 0.00 0.00 175.76 175.32 1u1e s PRO 125 N -0.24 1.61 0.47 0.00 0.04 -1.26 -3.86 135.00 131.76 1u1e s PRO 125 Ca -0.04 1.46 0.21 0.00 0.04 0.00 0.00 61.00 62.67 1u1e s PRO 125 Cb -0.03 -1.80 1.21 0.00 0.04 0.00 0.00 34.50 33.91 1u1e s PRO 125 CO 0.04 -2.17 1.92 1.25 0.04 0.00 0.00 177.00 178.08 1u1e h LEU 126 N -1.35 0.24 -2.27 -3.56 5.85 -1.94 -0.82 115.31 111.47 1u1e h LEU 126 Ca -0.44 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1u1e h LEU 126 Cb 1.26 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1u1e h LEU 126 CO 0.46 0.11 -0.05 1.05 -0.34 0.00 0.00 178.44 179.68 1u1e h GLU 127 N 0.25 0.00 -6.57 1.25 9.09 -2.03 -3.42 114.58 113.14 1u1e h GLU 127 Ca 0.37 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.26 1u1e h GLU 127 Cb 1.09 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.21 1u1e h GLU 127 CO -0.09 0.05 0.64 0.12 0.05 0.00 0.00 179.01 179.78 1u1e s PHE 128 N -4.43 3.33 0.03 2.06 2.19 -0.32 -4.98 117.98 115.86 1u1e s PHE 128 Ca -0.04 1.18 -0.30 0.00 0.33 0.00 0.00 56.93 58.10 1u1e s PHE 128 Cb 0.14 -3.55 -0.04 0.00 -1.31 0.00 0.00 43.02 38.26 1u1e s PHE 128 CO 0.56 -1.78 1.09 -1.25 1.83 0.00 0.00 175.22 175.67 1u1e s PRO 129 N 0.63 4.49 -1.16 10.12 0.04 -1.26 -4.93 135.00 142.93 1u1e s PRO 129 Ca 0.59 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 63.08 1u1e s PRO 129 Cb -0.34 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 30.74 1u1e s PRO 129 CO 0.32 -0.16 2.18 0.00 0.04 0.00 0.00 177.00 179.38 1u1e n ALA 130 N 3.94 4.82 -2.73 8.56 0.00 -1.26 -4.76 120.51 129.08 1u1e n ALA 130 Ca 0.08 -3.44 -0.37 0.00 0.00 0.00 0.00 53.44 49.70 1u1e n ALA 130 Cb 0.49 -3.51 -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 3.80 5.32 0.50 0.00 0.11 -1.26 -0.89 120.40 127.97 1u1e s VAL 131 Ca 0.52 0.46 -0.19 0.00 -2.93 0.00 0.00 61.98 59.85 1u1e s VAL 131 Cb 0.14 -3.53 -0.08 0.00 -1.53 0.00 0.00 36.38 31.38 1u1e s VAL 131 CO -0.00 0.60 1.00 0.00 -3.33 0.00 0.00 175.10 173.37 1u1e s ALA 132 N -1.03 2.96 0.33 1.54 0.00 0.31 -4.69 121.76 121.18 1u1e s ALA 132 Ca 0.18 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 1u1e s ALA 132 Cb -0.14 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 1u1e s ALA 132 CO 0.08 -0.24 1.42 0.34 0.00 0.00 0.00 175.76 177.36 1u1e s ASP 133 N -2.52 6.55 0.16 0.00 2.15 -0.05 -4.92 116.67 118.04 1u1e s ASP 133 Ca 0.62 2.85 -0.12 0.00 0.43 0.00 0.00 52.55 56.33 1u1e s ASP 133 Cb -0.12 -2.65 0.05 0.00 -0.30 0.00 0.00 42.92 39.90 1u1e s ASP 133 CO 0.24 -0.72 1.66 0.15 -0.17 0.00 0.00 175.17 176.33 1u1e h PHE 134 N 3.62 0.95 -0.47 -5.34 3.04 -1.96 -1.26 116.94 115.51 1u1e h PHE 134 Ca -0.49 -0.12 -0.12 0.00 3.98 0.00 0.00 57.97 61.22 1u1e h PHE 134 Cb 1.23 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 1u1e h PHE 134 CO 0.56 0.82 -0.16 0.93 -2.02 0.00 0.00 178.31 178.44 1u1e h GLU 135 N 0.79 0.92 -0.24 1.11 5.08 -1.96 -0.90 114.58 119.39 1u1e h GLU 135 Ca 0.17 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1u1e h GLU 135 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1u1e h GLU 135 CO 0.00 1.01 -0.01 0.00 -1.00 0.00 0.00 179.01 179.01 1u1e h THR 137 N 0.19 1.18 -0.33 0.00 2.02 -1.18 -1.27 112.91 113.51 1u1e h THR 137 Ca 0.07 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1u1e h THR 137 Cb 0.43 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1u1e h THR 137 CO 0.01 0.19 0.20 0.74 0.37 0.00 0.00 175.52 177.03 1u1e h THR 138 N 0.82 1.04 -0.22 3.16 2.02 -1.08 -1.33 112.91 117.32 1u1e h THR 138 Ca 0.22 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 1u1e h THR 138 Cb -0.01 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1u1e h THR 138 CO -0.04 0.07 -0.17 0.00 0.37 0.00 0.00 175.52 175.75 1u1e h ALA 139 N 1.15 1.30 -0.25 6.16 0.00 -0.98 -0.14 119.26 126.50 1u1e h ALA 139 Ca 0.13 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1u1e h ALA 139 Cb -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1u1e h ALA 139 CO -0.06 0.47 -0.51 -0.07 0.00 0.00 0.00 179.25 179.07 1u1e h LEU 140 N 0.35 0.77 -0.29 0.00 3.38 -0.95 -0.13 115.31 118.44 1u1e h LEU 140 Ca 0.06 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1u1e h LEU 140 Cb 0.51 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1u1e h LEU 140 CO 0.03 1.14 -0.15 0.58 0.09 0.00 0.00 178.44 180.14 1u1e h VAL 141 N 0.55 1.30 -0.71 1.22 2.07 -0.94 -1.62 116.25 118.11 1u1e h VAL 141 Ca 0.02 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 1u1e h VAL 141 Cb 1.08 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1u1e h VAL 141 CO 0.11 0.40 0.31 -0.33 0.02 0.00 0.00 177.57 178.07 1u1e h GLU 142 N 0.36 1.04 -0.15 1.57 5.08 -1.02 -2.83 114.58 118.64 1u1e h GLU 142 Ca 0.06 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1u1e h GLU 142 Cb 0.67 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1u1e h GLU 142 CO 0.04 0.85 -0.32 0.00 -1.00 0.00 0.00 179.01 178.58 1u1e h ALA 143 N 1.14 1.18 -0.59 3.43 0.00 -0.96 -1.33 119.26 122.14 1u1e h ALA 143 Ca 0.24 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1u1e h ALA 143 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1u1e h ALA 143 CO -0.02 0.54 0.07 0.00 0.00 0.00 0.00 179.25 179.83 1u1e h ALA 144 N 1.41 1.00 0.00 0.00 0.00 -1.12 -2.56 119.26 117.98 1u1e h ALA 144 Ca 0.03 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 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 0.63 -0.65 1.57 0.00 0.00 0.00 179.25 180.85 1u1e h LYS 145 N 0.92 0.00 -0.80 0.00 5.09 -1.27 -1.91 116.57 118.60 1u1e h LYS 145 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.90 1u1e h LYS 145 Cb 0.44 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.73 1u1e h LYS 145 CO 0.02 0.65 0.42 1.03 -2.09 0.00 0.00 179.45 179.48 1u1e h SER 146 N 0.00 1.02 0.74 7.07 0.87 -0.85 -2.89 113.55 119.51 1u1e h SER 146 Ca -0.01 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1u1e h SER 146 Cb 1.20 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1u1e h SER 146 CO 0.08 0.84 -0.94 2.30 -0.53 0.00 0.00 176.83 178.59 1u1e n ILE 147 N -4.39 0.37 -1.35 2.23 -5.35 -1.04 -5.01 119.36 104.83 1u1e n ILE 147 Ca 0.08 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1u1e n ILE 147 Cb 0.11 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 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 1.29 0.53 3.67 3.28 0.00 -0.86 -5.10 105.19 107.99 1u1e n GLY 148 Ca 0.01 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.90 3.29 -0.33 4.61 0.00 -0.77 -5.04 121.76 120.61 1u1e s ALA 149 Ca 0.00 -1.82 -0.25 0.00 0.00 0.00 0.00 51.96 49.89 1u1e s ALA 149 Cb 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1u1e s ALA 149 CO 0.00 0.12 0.88 0.99 0.00 0.00 0.00 175.76 177.75 1u1e s THR 150 N -2.43 4.68 -0.03 0.00 2.01 -1.26 -4.80 115.64 113.80 1u1e s THR 150 Ca 0.35 1.25 0.06 0.00 0.31 0.00 0.00 61.69 63.66 1u1e s THR 150 Cb -0.03 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 1u1e s THR 150 CO 0.21 -0.39 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.63 1u1e s THR 151 N 3.24 2.39 -0.04 -0.82 2.01 -1.26 -1.07 115.64 120.09 1u1e s THR 151 Ca 0.36 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.44 1u1e s THR 151 Cb -0.13 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 1u1e s THR 151 CO 0.15 0.58 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.45 1u1e s HIS 152 N -0.60 2.03 -0.12 4.92 3.76 -0.54 -4.98 115.29 119.77 1u1e s HIS 152 Ca 0.09 -0.56 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 1u1e s HIS 152 Cb -0.11 -1.34 -0.00 0.00 1.11 0.00 0.00 32.58 32.24 1u1e s HIS 152 CO -0.00 -0.16 -0.20 0.08 -0.85 0.00 0.00 174.74 173.61 1u1e s VAL 153 N -0.13 2.41 -2.14 -0.90 1.01 -1.26 -1.20 120.40 118.18 1u1e s VAL 153 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1u1e s VAL 153 Cb -0.12 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1u1e s VAL 153 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1e n GLY 154 N 3.69 -0.62 3.81 4.51 0.00 -0.82 -4.98 105.19 110.78 1u1e n GLY 154 Ca -0.19 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.59 4.87 -0.05 1.61 1.01 -1.26 -1.40 120.40 121.60 1u1e s VAL 155 Ca 0.00 1.09 0.05 0.00 0.00 0.00 0.00 61.98 63.12 1u1e s VAL 155 Cb 0.00 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1u1e s VAL 155 CO 0.00 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.56 1u1e s THR 156 N -0.88 2.69 -0.28 3.92 2.01 -0.85 -0.93 115.64 121.32 1u1e s THR 156 Ca 0.27 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 1u1e s THR 156 Cb -0.18 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 1u1e s THR 156 CO 0.17 0.58 0.63 0.00 -0.69 0.00 0.00 174.62 175.31 1u1e s ALA 157 N -0.59 3.57 -0.33 7.40 0.00 0.01 0.59 121.76 132.41 1u1e s ALA 157 Ca 0.09 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 1u1e s ALA 157 Cb -0.11 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 19.98 1u1e s ALA 157 CO 0.01 -0.94 0.10 0.45 0.00 0.00 0.00 175.76 175.37 1u1e s SER 158 N 1.56 5.28 -0.04 0.00 0.15 -0.51 -1.77 113.70 118.37 1u1e s SER 158 Ca 0.26 -1.13 0.01 0.00 0.70 0.00 0.00 55.95 55.79 1u1e s SER 158 Cb -0.15 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 1u1e s SER 158 CO 0.10 -0.32 -0.04 -0.55 1.20 0.00 0.00 173.24 173.63 1u1e s SER 159 N 1.40 4.83 0.00 5.45 0.15 0.45 -1.29 113.70 124.69 1u1e s SER 159 Ca -0.02 -0.03 0.25 0.00 0.70 0.00 0.00 55.95 56.85 1u1e s SER 159 Cb -0.19 -1.22 1.45 0.00 -1.71 0.00 0.00 66.02 64.34 1u1e s SER 159 CO 0.03 0.32 1.85 0.47 1.20 0.00 0.00 173.24 177.11 1u1e n ASP 160 N 1.83 0.00 -3.97 5.45 9.92 -0.65 -4.32 116.55 124.81 1u1e n ASP 160 Ca -0.17 -0.64 -0.09 0.00 -0.53 0.00 0.00 54.79 53.36 1u1e n ASP 160 Cb 0.53 -0.06 -0.10 0.00 -0.64 0.00 0.00 41.12 40.85 1u1e n ASP 160 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1u1e s THR 161 N -2.12 0.13 0.04 -3.53 -1.32 -1.26 -5.02 115.64 102.56 1u1e s THR 161 Ca 0.35 -1.10 0.10 0.00 -1.21 0.00 0.00 61.69 59.83 1u1e s THR 161 Cb 0.17 -0.68 -0.18 0.00 -1.51 0.00 0.00 72.50 70.30 1u1e s THR 161 CO 0.31 -0.61 1.13 0.15 -2.21 0.00 0.00 174.62 173.39 1u1e h PHE 162 N 4.07 0.00 0.00 9.09 3.57 -1.97 -3.39 116.94 128.31 1u1e h PHE 162 Ca -0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.18 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 0.60 0.93 0.00 0.66 -2.23 0.00 0.00 178.31 178.26 1u1e n TYR 163 N -3.24 0.00 -0.04 0.41 4.02 -1.26 -4.38 117.16 112.66 1u1e n TYR 163 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.81 1u1e n TYR 163 Cb 0.94 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 40.45 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 0.63 0.00 -0.72 0.13 -1.87 0.18 132.00 130.35 1u1e h PRO 164 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1u1e h PRO 164 Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1u1e h PRO 164 CO 0.00 0.74 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 1u1e n GLY 165 N -0.53 -1.21 0.72 1.56 0.00 -1.26 -1.18 105.19 103.29 1u1e n GLY 165 Ca 0.01 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.02 2.76 -4.03 1.61 6.02 -0.75 -4.92 117.38 116.05 1u1e n GLN 166 Ca 0.03 -2.58 -0.29 0.00 -0.01 0.00 0.00 57.00 54.15 1u1e n GLN 166 Cb 0.22 -1.65 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 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 -0.36 -3.43 -3.09 -1.09 2.13 -0.33 -4.94 120.64 109.53 1u1e n GLU 167 Ca 0.18 0.41 -0.39 0.00 0.66 0.00 0.00 57.16 58.01 1u1e n GLU 167 Cb 0.74 -4.76 -0.05 0.00 0.27 0.00 0.00 31.44 27.63 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 -6.66 4.41 0.00 5.31 0.52 0.56 -4.96 118.95 118.12 1u1e s ARG 168 Ca 0.26 0.87 0.12 0.00 -0.52 0.00 0.00 55.73 56.46 1u1e s ARG 168 Cb -0.14 -3.38 -0.09 0.00 0.52 0.00 0.00 34.95 31.86 1u1e s ARG 168 CO 0.90 0.25 0.58 0.66 0.02 0.00 0.00 175.30 177.70 1u1e n TYR 169 N 3.09 0.00 -1.47 -0.53 4.02 -1.26 -4.33 117.16 116.68 1u1e n TYR 169 Ca -0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.45 1u1e n TYR 169 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.94 5.26 -3.92 7.72 5.75 -1.26 -4.26 116.55 124.90 1u1e n ASP 170 Ca 0.03 -2.70 -0.26 0.00 -0.01 0.00 0.00 54.79 51.85 1u1e n ASP 170 Cb 0.21 -1.53 -0.08 0.00 -1.03 0.00 0.00 41.12 38.70 1u1e n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u1e s THR 171 N 3.12 0.42 0.12 2.12 -4.23 -1.26 -5.03 115.64 110.89 1u1e s THR 171 Ca 0.54 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.89 1u1e s THR 171 Cb 0.15 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 1u1e s THR 171 CO -0.05 0.00 1.62 0.22 -0.54 0.00 0.00 174.62 175.87 1u1e h TYR 172 N 1.76 0.58 0.12 3.99 5.03 -1.99 -3.27 116.97 123.20 1u1e h TYR 172 Ca -0.32 -0.07 -0.28 0.00 2.58 0.00 0.00 58.73 60.64 1u1e h TYR 172 Cb 1.27 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.39 1u1e h TYR 172 CO 1.75 0.58 -1.33 0.66 -1.32 0.00 0.00 178.16 178.51 1u1e h SER 173 N 0.41 0.41 -0.00 -2.11 4.64 -1.97 -3.47 113.55 111.46 1u1e h SER 173 Ca 0.11 -0.47 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1u1e h SER 173 Cb 0.29 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1u1e h SER 173 CO 0.00 1.38 -0.00 0.61 -0.87 0.00 0.00 176.83 177.95 1u1e n GLY 174 N 1.57 0.36 3.38 -0.77 0.00 -1.24 -5.01 105.19 103.49 1u1e n GLY 174 Ca -0.11 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.58 1.39 -0.09 1.61 1.70 -1.26 -4.91 118.95 116.80 1u1e s ARG 175 Ca 0.00 -1.39 0.03 0.00 -0.47 0.00 0.00 55.73 53.89 1u1e s ARG 175 Cb 0.00 -1.74 0.01 0.00 -0.57 0.00 0.00 34.95 32.64 1u1e s ARG 175 CO 0.00 0.39 -0.18 0.08 -1.08 0.00 0.00 175.30 174.51 1u1e s VAL 176 N -1.41 1.64 0.46 4.99 1.01 -1.26 -4.92 120.40 120.91 1u1e s VAL 176 Ca 0.16 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1u1e s VAL 176 Cb -0.09 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.74 1u1e s VAL 176 CO 0.07 0.47 0.83 0.55 0.00 0.00 0.00 175.10 177.02 1u1e n VAL 177 N 3.76 2.41 -0.27 2.92 3.14 -1.26 -4.54 118.33 124.48 1u1e n VAL 177 Ca -0.20 -0.50 0.08 0.00 -2.96 0.00 0.00 64.34 60.76 1u1e n VAL 177 Cb 0.52 -0.94 0.21 0.00 -1.06 0.00 0.00 33.84 32.57 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 1.07 0.14 -0.82 1.45 2.43 -2.00 -0.21 114.38 116.44 1u1e h ARG 178 Ca -0.44 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 58.89 1u1e h ARG 178 Cb 1.36 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.82 1u1e h ARG 178 CO 0.54 0.09 0.55 1.25 -1.51 0.00 0.00 179.97 180.88 1u1e h HIS 179 N 0.14 0.57 -0.02 2.20 2.76 -2.02 -1.88 115.15 116.91 1u1e h HIS 179 Ca 0.47 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 1u1e h HIS 179 Cb 0.87 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1u1e h HIS 179 CO -0.37 0.20 -0.32 1.19 -1.30 0.00 0.00 177.93 177.33 1u1e n PHE 180 N -4.50 0.00 -2.00 5.26 3.01 -0.18 -4.77 117.46 114.27 1u1e n PHE 180 Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.20 1u1e n PHE 180 Cb 0.57 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.01 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 -2.09 4.21 0.00 -1.08 1.02 -0.67 -1.80 119.74 119.32 1u1e s LYS 181 Ca 0.18 2.23 0.00 0.00 0.02 0.00 0.00 55.97 58.39 1u1e s LYS 181 Cb 0.16 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1u1e s LYS 181 CO 0.44 -0.74 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 1u1e n GLY 182 N 3.97 0.37 0.26 -3.33 0.00 -1.26 -4.93 105.19 100.27 1u1e n GLY 182 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.95 -0.67 1.61 4.64 -1.66 -2.94 113.55 115.48 1u1e h SER 183 Ca 0.00 -0.46 0.03 0.00 -0.47 0.00 0.00 61.79 60.89 1u1e h SER 183 Cb 0.26 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 1u1e h SER 183 CO 0.00 1.21 0.41 -0.03 -0.87 0.00 0.00 176.83 177.56 1u1e h MET 184 N 0.70 0.78 -0.83 4.77 -1.53 -1.92 -0.67 114.93 116.23 1u1e h MET 184 Ca 0.06 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.27 1u1e h MET 184 Cb 0.94 -0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 31.77 1u1e h MET 184 CO 0.09 0.52 0.49 1.49 0.14 0.00 0.00 176.91 179.63 1u1e h GLU 185 N 0.81 1.13 0.14 0.39 4.81 -1.96 0.55 114.58 120.45 1u1e h GLU 185 Ca 0.27 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1u1e h GLU 185 Cb 0.04 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1u1e h GLU 185 CO -0.12 0.80 -0.07 0.93 -0.73 0.00 0.00 179.01 179.83 1u1e h GLU 186 N 1.15 -0.18 -0.70 1.92 4.39 -1.16 -2.07 114.58 117.94 1u1e h GLU 186 Ca 0.30 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1u1e h GLU 186 Cb -0.03 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1u1e h GLU 186 CO -0.05 -0.04 0.45 -1.49 -1.16 0.00 0.00 179.01 176.72 1u1e h TRP 187 N -0.28 0.89 -0.46 4.33 -0.00 -0.84 -2.26 115.95 117.33 1u1e h TRP 187 Ca -0.02 0.01 0.06 0.00 -0.00 0.00 0.00 58.89 58.95 1u1e h TRP 187 Cb 0.22 -0.30 -0.05 0.00 -0.00 0.00 0.00 29.16 29.03 1u1e h TRP 187 CO -0.04 0.58 0.15 1.96 -0.00 0.00 0.00 178.44 181.09 1u1e h GLN 188 N 0.95 0.31 0.00 0.49 4.20 -0.85 -1.72 115.11 118.49 1u1e h GLN 188 Ca 0.25 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 1u1e h GLN 188 Cb -0.08 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1u1e h GLN 188 CO -0.05 0.20 -0.17 0.00 -0.67 0.00 0.00 178.83 178.14 1u1e h ALA 189 N 1.31 1.30 -0.12 3.87 0.00 -1.04 -2.17 119.26 122.41 1u1e h ALA 189 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1u1e h ALA 189 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1u1e h ALA 189 CO -0.23 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 177.90 1u1e n MET 190 N -3.74 1.62 -0.93 0.00 2.81 -0.73 -4.92 117.12 111.23 1u1e n MET 190 Ca -0.02 -0.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.95 1u1e n MET 190 Cb 0.28 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 1.09 0.53 3.72 3.03 0.00 -0.82 -5.01 105.19 107.73 1u1e n GLY 191 Ca 0.16 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 2.36 0.05 1.61 1.01 -0.73 -4.61 120.40 118.10 1u1e s VAL 192 Ca 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 1u1e s VAL 192 Cb 0.00 -3.16 -0.30 0.00 0.00 0.00 0.00 36.38 32.92 1u1e s VAL 192 CO 0.00 0.02 1.09 0.24 0.00 0.00 0.00 175.10 176.45 1u1e h MET 193 N 6.87 0.60 -2.63 2.72 0.00 -1.36 -3.42 114.93 117.71 1u1e h MET 193 Ca -0.43 -0.83 0.13 0.00 0.00 0.00 0.00 59.70 58.57 1u1e h MET 193 Cb 1.20 0.28 -0.07 0.00 0.00 0.00 0.00 31.60 33.02 1u1e h MET 193 CO 0.94 1.38 0.37 0.54 0.00 0.00 0.00 176.91 180.14 1u1e s ASN 194 N -7.44 -0.21 -0.08 1.22 6.03 -1.26 -0.71 114.94 112.48 1u1e s ASN 194 Ca -0.09 -0.49 0.01 0.00 -1.03 0.00 0.00 52.86 51.26 1u1e s ASN 194 Cb 0.05 0.59 -0.02 0.00 -3.03 0.00 0.00 41.25 38.84 1u1e s ASN 194 CO 0.93 -1.10 -0.11 -0.31 -2.03 0.00 0.00 177.10 174.49 1u1e s TYR 195 N -3.56 2.83 0.00 1.54 4.12 -0.31 -0.81 117.35 121.16 1u1e s TYR 195 Ca 0.12 -0.22 0.00 0.00 0.02 0.00 0.00 57.07 56.99 1u1e s TYR 195 Cb -0.03 -1.73 0.00 0.00 -1.52 0.00 0.00 41.96 38.67 1u1e s TYR 195 CO 0.04 0.13 0.00 -0.85 0.02 0.00 0.00 175.55 174.89 1u1e n GLU 196 N 2.66 0.00 0.00 -0.62 -0.00 -0.73 -2.81 120.64 119.14 1u1e n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1e n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1e n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1e n MET 197 N 0.00 0.43 0.00 3.44 2.81 -1.26 -0.41 117.12 122.13 1u1e n MET 197 Ca 0.00 -0.58 0.00 0.00 -1.81 0.00 0.00 57.70 55.31 1u1e n MET 197 Cb 0.00 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 1u1e n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1e n GLU 198 N -0.11 2.80 -0.29 0.03 4.71 -1.26 -3.46 120.64 123.05 1u1e n GLU 198 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1u1e n GLU 198 Cb 0.26 -0.73 0.07 0.00 -1.01 0.00 0.00 31.44 30.02 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 1.01 -0.24 1.62 4.64 -1.94 -1.78 113.55 116.86 1u1e h SER 199 Ca 0.00 -0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 1u1e h SER 199 Cb 0.14 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1u1e h SER 199 CO 0.00 0.83 0.07 0.00 -0.87 0.00 0.00 176.83 176.86 1u1e h ALA 200 N 1.22 0.26 0.20 5.18 0.00 -1.88 0.25 119.26 124.49 1u1e h ALA 200 Ca 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1u1e h ALA 200 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u1e h ALA 200 CO -0.04 -0.35 -0.10 1.15 0.00 0.00 0.00 179.25 179.91 1u1e h THR 201 N 0.17 0.84 0.24 0.00 2.02 -1.87 -1.73 112.91 112.58 1u1e h THR 201 Ca 0.11 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1u1e h THR 201 Cb 0.09 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1u1e h THR 201 CO -0.12 0.04 -0.16 0.25 0.37 0.00 0.00 175.52 175.90 1u1e h LEU 202 N -0.36 -0.40 -0.63 2.58 5.85 -1.10 -1.28 115.31 119.97 1u1e h LEU 202 Ca -0.03 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1u1e h LEU 202 Cb 0.27 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1u1e h LEU 202 CO 0.05 -0.25 0.12 -0.07 -0.34 0.00 0.00 178.44 177.94 1u1e h LEU 203 N -0.39 0.99 0.14 2.25 3.38 -0.56 -1.94 115.31 119.18 1u1e h LEU 203 Ca -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1u1e h LEU 203 Cb 0.33 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1u1e h LEU 203 CO 0.01 0.99 -0.06 0.74 0.09 0.00 0.00 178.44 180.21 1u1e h THR 204 N 0.95 0.98 -0.09 0.22 2.02 -1.25 -0.99 112.91 114.74 1u1e h THR 204 Ca 0.19 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1u1e h THR 204 Cb 0.41 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1u1e h THR 204 CO 0.01 0.11 -0.16 0.00 0.37 0.00 0.00 175.52 175.85 1u1e h MET 205 N -0.41 0.14 0.06 6.66 -0.00 -1.21 -1.78 114.93 118.40 1u1e h MET 205 Ca -0.02 -0.03 -0.12 0.00 -0.00 0.00 0.00 59.70 59.53 1u1e h MET 205 Cb 0.32 -0.02 0.01 0.00 -0.00 0.00 0.00 31.60 31.92 1u1e h MET 205 CO 0.03 0.31 -0.51 0.00 -0.00 0.00 0.00 176.91 176.75 1u1e h ALA 207 N 0.14 1.29 -0.35 0.00 0.00 -1.09 -0.33 119.26 118.92 1u1e h ALA 207 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u1e h ALA 207 Cb 1.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1u1e h ALA 207 CO 0.10 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 1u1e n SER 208 N -3.70 2.95 -0.11 0.00 3.41 -0.68 -4.25 113.62 111.24 1u1e n SER 208 Ca -0.02 -1.92 0.01 0.00 -0.26 0.00 0.00 58.87 56.68 1u1e n SER 208 Cb 0.28 -0.23 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.15 0.73 -1.13 4.33 6.02 -0.95 -5.01 117.38 122.51 1u1e n GLN 209 Ca 0.18 -0.99 -0.04 0.00 -0.01 0.00 0.00 57.00 56.15 1u1e n GLN 209 Cb 0.52 -0.69 -0.02 0.00 1.02 0.00 0.00 30.24 31.07 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 -0.22 0.72 3.80 1.08 0.00 -0.97 -5.03 105.19 104.58 1u1e n GLY 210 Ca 0.01 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.01 4.01 0.02 0.99 1.43 -0.18 -5.05 118.68 118.91 1u1e s LEU 211 Ca 0.00 0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 53.11 1u1e s LEU 211 Cb 0.00 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1u1e s LEU 211 CO 0.00 0.32 0.68 -0.13 0.23 0.00 0.00 176.35 177.44 1u1e s ARG 212 N -1.48 4.40 -0.01 1.70 0.52 -0.55 -3.85 118.95 119.68 1u1e s ARG 212 Ca 0.20 0.90 -0.00 0.00 -0.52 0.00 0.00 55.73 56.30 1u1e s ARG 212 Cb -0.12 -3.35 0.01 0.00 0.52 0.00 0.00 34.95 32.01 1u1e s ARG 212 CO 0.11 0.34 0.02 0.00 0.02 0.00 0.00 175.30 175.78 1u1e s ALA 213 N -0.16 -0.02 0.13 2.13 0.00 -1.26 -0.53 121.76 122.05 1u1e s ALA 213 Ca 0.35 0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.46 1u1e s ALA 213 Cb -0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1u1e s ALA 213 CO 0.20 -0.02 -0.15 0.20 0.00 0.00 0.00 175.76 175.99 1u1e s GLY 214 N 0.18 1.16 -0.05 0.00 0.00 -0.18 -0.88 107.32 107.55 1u1e s GLY 214 Ca -0.01 -1.36 -0.00 0.00 0.00 0.00 0.00 44.72 43.34 1u1e s GLY 214 CO -0.01 -1.42 -0.00 -0.29 0.00 0.00 0.00 173.10 171.39 1u1e s MET 215 N -2.77 0.50 0.01 2.90 1.75 -1.26 -1.21 119.30 119.22 1u1e s MET 215 Ca 0.11 0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.64 1u1e s MET 215 Cb -0.05 -0.77 -0.01 0.00 2.84 0.00 0.00 34.83 36.85 1u1e s MET 215 CO 0.04 -0.22 -0.04 0.54 -0.65 0.00 0.00 175.02 174.70 1u1e s VAL 216 N 1.52 0.24 -0.06 10.11 0.11 -0.61 -1.66 120.40 130.06 1u1e s VAL 216 Ca -0.02 -0.51 -0.12 0.00 -2.93 0.00 0.00 61.98 58.39 1u1e s VAL 216 Cb -0.13 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 1u1e s VAL 216 CO -0.03 -0.18 0.29 0.00 -3.33 0.00 0.00 175.10 171.86 1u1e s ALA 217 N -0.69 -0.74 -0.09 1.54 0.00 -0.38 -0.73 121.76 120.68 1u1e s ALA 217 Ca -0.06 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.27 1u1e s ALA 217 Cb -0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 1u1e s ALA 217 CO -0.00 -0.21 0.38 0.20 0.00 0.00 0.00 175.76 176.14 1u1e s GLY 218 N -0.70 2.36 -0.35 0.00 0.00 -0.89 -0.55 107.32 107.20 1u1e s GLY 218 Ca -0.08 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 1u1e s GLY 218 CO 0.02 0.41 1.24 0.14 0.00 0.00 0.00 173.10 174.92 1u1e s VAL 219 N -0.07 4.20 -0.17 1.40 1.01 -0.43 -2.00 120.40 124.34 1u1e s VAL 219 Ca 0.22 1.33 -0.05 0.00 0.00 0.00 0.00 61.98 63.47 1u1e s VAL 219 Cb -0.15 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.72 1u1e s VAL 219 CO 0.09 -0.59 0.18 -0.38 0.00 0.00 0.00 175.10 174.39 1u1e n ILE 220 N 6.34 1.68 -4.03 2.22 5.41 -0.62 -2.13 119.36 128.23 1u1e n ILE 220 Ca 0.14 -0.59 -0.13 0.00 1.00 0.00 0.00 62.75 63.17 1u1e n ILE 220 Cb 0.47 -1.67 -0.13 0.00 -0.71 0.00 0.00 39.64 37.60 1u1e n ILE 220 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1u1e s VAL 221 N -2.54 0.28 -0.23 1.39 1.01 -1.22 -4.75 120.40 114.35 1u1e s VAL 221 Ca -0.27 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1u1e s VAL 221 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1u1e s VAL 221 CO 0.71 -0.10 0.06 0.21 0.00 0.00 0.00 175.10 175.97 1u1e s ASN 222 N -0.55 5.18 0.22 3.32 3.84 -1.26 -0.88 114.94 124.81 1u1e s ASN 222 Ca -0.03 -0.15 0.22 0.00 0.21 0.00 0.00 52.86 53.11 1u1e s ASN 222 Cb -0.04 -1.91 0.93 0.00 -0.55 0.00 0.00 41.25 39.68 1u1e s ASN 222 CO -0.00 0.03 1.68 0.54 -2.79 0.00 0.00 177.10 176.55 1u1e n ARG 223 N 4.51 0.17 0.00 0.43 5.12 0.61 -1.36 116.66 126.15 1u1e n ARG 223 Ca -0.16 0.40 0.13 0.00 -1.93 0.00 0.00 57.85 56.29 1u1e n ARG 223 Cb 0.52 -1.82 0.41 0.00 -1.16 0.00 0.00 32.46 30.40 1u1e n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1u1e n THR 224 N -2.14 0.00 0.00 0.55 -2.24 -1.26 -4.52 114.28 104.67 1u1e n THR 224 Ca 0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1u1e n THR 224 Cb 0.22 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1u1e n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1e n GLN 225 N -0.10 0.61 -4.06 -0.78 10.64 -0.96 -5.07 117.38 117.66 1u1e n GLN 225 Ca 0.15 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.22 1u1e n GLN 225 Cb 0.37 -0.70 -0.08 0.00 -0.86 0.00 0.00 30.24 28.97 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 -1.41 1.17 0.00 2.61 0.00 -0.46 -5.08 119.66 116.49 1u1e s GLN 226 Ca 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 55.36 54.02 1u1e s GLN 226 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 33.01 33.35 1u1e s GLN 226 CO 0.00 -0.41 0.00 -1.91 0.00 0.00 0.00 175.29 172.97 1u1e n GLU 227 N -0.22 0.42 -3.46 9.60 0.00 -1.26 -4.15 120.64 121.57 1u1e n GLU 227 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.74 1u1e n GLU 227 Cb 0.64 -0.89 -0.09 0.00 0.00 0.00 0.00 31.44 31.10 1u1e n GLU 227 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1u1e s ILE 228 N -1.78 5.23 0.65 6.31 1.01 -1.26 -5.04 121.20 126.32 1u1e s ILE 228 Ca 0.00 0.49 -0.15 0.00 0.00 0.00 0.00 60.65 61.00 1u1e s ILE 228 Cb 0.00 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 1u1e s ILE 228 CO 0.00 0.23 1.10 -2.16 0.00 0.00 0.00 174.94 174.10 1u1e s PRO 229 N 1.65 2.89 0.21 2.79 0.04 -1.26 -5.04 135.00 136.28 1u1e s PRO 229 Ca 0.14 1.32 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 1u1e s PRO 229 Cb -0.15 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1u1e s PRO 229 CO 0.09 -1.17 0.81 1.21 0.04 0.00 0.00 177.00 177.97 1u1e s ASN 230 N -2.72 7.33 0.24 6.66 2.47 -1.26 -5.00 114.94 122.66 1u1e s ASN 230 Ca 0.66 1.65 0.00 0.00 0.42 0.00 0.00 52.86 55.59 1u1e s ASN 230 Cb -0.19 -2.50 0.26 0.00 -1.45 0.00 0.00 41.25 37.36 1u1e s ASN 230 CO 0.42 0.12 1.61 0.00 -3.72 0.00 0.00 177.10 175.53 1u1e h ALA 231 N 3.93 0.90 0.10 1.71 0.00 -2.00 -2.62 119.26 121.27 1u1e h ALA 231 Ca -0.47 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 53.78 1u1e h ALA 231 Cb 1.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1u1e h ALA 231 CO 0.66 0.64 -1.13 1.49 0.00 0.00 0.00 179.25 180.91 1u1e h GLU 232 N 0.40 0.21 -0.22 0.00 4.22 -2.02 -3.36 114.58 113.82 1u1e h GLU 232 Ca 0.03 -0.36 -0.02 0.00 0.08 0.00 0.00 59.36 59.10 1u1e h GLU 232 Cb 0.90 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1u1e h GLU 232 CO 0.08 1.17 0.06 1.15 -2.18 0.00 0.00 179.01 179.29 1u1e h THR 233 N -0.45 1.11 -0.64 0.32 2.02 -1.99 -2.52 112.91 110.76 1u1e h THR 233 Ca -0.24 -0.35 0.09 0.00 0.77 0.00 0.00 66.41 66.68 1u1e h THR 233 Cb 1.62 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 68.83 1u1e h THR 233 CO 0.05 0.13 0.27 0.24 0.37 0.00 0.00 175.52 176.57 1u1e h MET 234 N 0.31 0.45 -0.22 6.66 2.86 -1.60 -1.42 114.93 121.98 1u1e h MET 234 Ca 0.08 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.49 1u1e h MET 234 Cb 0.11 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.67 1u1e h MET 234 CO -0.01 0.30 -0.64 0.87 1.06 0.00 0.00 176.91 178.50 1u1e h LYS 235 N 0.47 0.81 -0.49 1.72 6.56 -1.59 -2.60 116.57 121.44 1u1e h LYS 235 Ca 0.32 -0.59 -0.05 0.00 -1.06 0.00 0.00 60.65 59.27 1u1e h LYS 235 Cb 0.37 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.11 1u1e h LYS 235 CO -0.29 1.21 0.12 0.37 -2.06 0.00 0.00 179.45 178.79 1u1e h GLN 236 N 0.57 0.80 -0.60 3.15 5.75 -1.34 -1.69 115.11 121.74 1u1e h GLN 236 Ca -0.02 -0.19 -0.09 0.00 -0.15 0.00 0.00 58.65 58.20 1u1e h GLN 236 Cb 1.26 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 1u1e h GLN 236 CO 0.14 0.77 0.02 1.79 -2.65 0.00 0.00 178.83 178.90 1u1e h THR 237 N 0.68 1.27 -0.53 2.39 1.35 -1.32 -2.08 112.91 114.67 1u1e h THR 237 Ca 0.15 -1.12 -0.02 0.00 -0.55 0.00 0.00 66.41 64.87 1u1e h THR 237 Cb 0.34 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1u1e h THR 237 CO 0.00 0.41 0.25 -0.08 -0.25 0.00 0.00 175.52 175.85 1u1e h GLU 238 N 0.95 0.77 -0.67 4.72 4.81 -1.34 -2.62 114.58 121.20 1u1e h GLU 238 Ca 0.17 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1u1e h GLU 238 Cb 0.53 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1u1e h GLU 238 CO 0.03 0.64 0.26 0.77 -0.73 0.00 0.00 179.01 179.98 1u1e h SER 239 N 0.71 0.93 -0.08 1.04 0.02 -1.19 -1.41 113.55 113.56 1u1e h SER 239 Ca 0.18 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1u1e h SER 239 Cb 0.12 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1u1e h SER 239 CO -0.02 0.85 -0.09 -0.74 -1.14 0.00 0.00 176.83 175.69 1u1e h HIS 240 N 0.95 -0.21 -0.09 3.45 2.76 -1.24 -1.57 115.15 119.20 1u1e h HIS 240 Ca 0.22 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.25 1u1e h HIS 240 Cb 0.21 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1u1e h HIS 240 CO 0.01 -0.13 -0.61 0.00 -1.30 0.00 0.00 177.93 175.90 1u1e h ALA 241 N 0.95 0.80 -0.77 5.26 0.00 -1.40 -2.86 119.26 121.23 1u1e h ALA 241 Ca 0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1u1e h ALA 241 Cb 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1u1e h ALA 241 CO -0.15 0.73 0.35 0.28 0.00 0.00 0.00 179.25 180.46 1u1e h VAL 242 N 0.22 1.25 -0.73 0.00 2.07 -1.10 -1.63 116.25 116.34 1u1e h VAL 242 Ca -0.01 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1u1e h VAL 242 Cb 1.13 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1u1e h VAL 242 CO 0.10 0.30 0.38 0.11 0.02 0.00 0.00 177.57 178.48 1u1e h LYS 243 N 1.11 1.02 -0.25 1.57 1.57 -1.13 -2.67 116.57 117.78 1u1e h LYS 243 Ca 0.26 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1u1e h LYS 243 Cb 0.14 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1u1e h LYS 243 CO -0.03 0.77 -0.16 0.82 -0.57 0.00 0.00 179.45 180.27 1u1e h ILE 244 N 1.02 1.31 -0.05 1.86 2.04 -1.21 -2.34 117.51 120.14 1u1e h ILE 244 Ca 0.25 -1.28 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1u1e h ILE 244 Cb 0.06 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1u1e h ILE 244 CO -0.04 0.40 -0.26 1.62 0.00 0.00 0.00 178.15 179.87 1u1e h VAL 245 N 0.27 1.21 -0.08 1.67 3.04 -1.21 0.12 116.25 121.26 1u1e h VAL 245 Ca 0.05 -0.99 -0.10 0.00 -1.01 0.00 0.00 66.70 64.64 1u1e h VAL 245 Cb 0.69 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1u1e h VAL 245 CO 0.04 0.29 -0.36 0.58 -1.01 0.00 0.00 177.57 177.11 1u1e h VAL 246 N 0.08 1.41 -0.28 1.51 2.07 -1.49 -2.47 116.25 117.09 1u1e h VAL 246 Ca 0.01 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 1u1e h VAL 246 Cb 0.51 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1u1e h VAL 246 CO 0.04 0.51 -0.00 -0.08 0.02 0.00 0.00 177.57 178.05 1u1e h GLU 247 N -0.09 0.41 -0.40 1.57 4.57 -1.09 -2.03 114.58 117.53 1u1e h GLU 247 Ca -0.02 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 57.96 1u1e h GLU 247 Cb 1.01 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1u1e h GLU 247 CO 0.08 0.45 -0.20 0.00 -1.18 0.00 0.00 179.01 178.15 1u1e h ALA 248 N 1.60 0.56 -0.72 2.92 0.00 -0.80 -3.01 119.26 119.81 1u1e h ALA 248 Ca 0.09 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1u1e h ALA 248 Cb 0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1u1e h ALA 248 CO 0.01 0.52 0.48 0.00 0.00 0.00 0.00 179.25 180.25 1u1e h ALA 249 N 0.81 1.56 -0.97 0.00 0.00 -1.02 -1.86 119.26 117.79 1u1e h ALA 249 Ca 0.09 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1u1e h ALA 249 Cb 0.76 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1u1e h ALA 249 CO 0.06 0.38 0.62 -0.09 0.00 0.00 0.00 179.25 180.22 1u1e h ARG 250 N 0.90 1.08 0.00 0.00 2.43 -1.25 -2.07 114.38 115.47 1u1e h ARG 250 Ca 0.28 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1u1e h ARG 250 Cb 0.01 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1u1e h ARG 250 CO -0.08 0.72 0.00 0.00 -1.51 0.00 0.00 179.97 179.10 1u1e h ARG 251 N 1.11 0.00 -0.36 0.20 3.08 -1.27 -3.27 114.38 113.88 1u1e h ARG 251 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1u1e h ARG 251 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1u1e h ARG 251 CO -0.18 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.00 1u1e n LEU 252 N -2.71 3.05 0.00 3.04 4.77 -0.81 -5.06 117.00 119.28 1u1e n LEU 252 Ca 0.04 -1.69 0.14 0.00 -0.03 0.00 0.00 56.01 54.47 1u1e n LEU 252 Cb 0.41 -0.23 0.86 0.00 -2.33 0.00 0.00 43.42 42.12 1u1e n LEU 252 CO 0.29 0.71 1.03 0.18 -1.33 0.00 0.00 177.39 178.27