#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1c s SER 2 N 0.00 -0.07 0.00 3.17 1.04 -1.26 -5.08 113.70 111.50 1u1c s SER 2 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1u1c s SER 2 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1u1c s SER 2 CO 0.00 -0.63 0.00 1.17 0.98 0.00 0.00 173.24 174.76 1u1c n LYS 3 N -0.59 0.00 -3.68 4.02 3.00 -1.26 -5.07 118.16 114.57 1u1c n LYS 3 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.17 1u1c n LYS 3 Cb 0.61 -0.34 -0.10 0.00 0.00 0.00 0.00 35.03 35.20 1u1c n LYS 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1u1c s SER 4 N -3.88 -0.65 0.00 3.14 0.15 -1.26 -4.35 113.70 106.85 1u1c s SER 4 Ca 0.00 1.08 0.26 0.00 0.70 0.00 0.00 55.95 57.99 1u1c s SER 4 Cb 0.00 0.96 0.62 0.00 -1.71 0.00 0.00 66.02 65.89 1u1c s SER 4 CO 0.00 -0.21 1.49 0.47 1.20 0.00 0.00 173.24 176.19 1u1c n ASP 5 N 4.25 1.84 -4.36 5.45 10.43 0.17 -4.90 116.55 129.44 1u1c n ASP 5 Ca -0.22 -1.49 -0.18 0.00 2.57 0.00 0.00 54.79 55.47 1u1c n ASP 5 Cb 0.56 0.10 -0.10 0.00 1.84 0.00 0.00 41.12 43.52 1u1c n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1u1c s VAL 6 N -2.18 0.87 0.15 2.53 -7.23 -1.24 -5.03 120.40 108.28 1u1c s VAL 6 Ca 0.30 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1u1c s VAL 6 Cb 0.20 -2.60 -0.17 0.00 0.56 0.00 0.00 36.38 34.37 1u1c s VAL 6 CO 0.40 -0.09 1.34 -0.26 -0.31 0.00 0.00 175.10 176.17 1u1c h PHE 7 N 2.33 0.29 0.00 2.82 0.05 -1.95 -3.42 116.94 117.06 1u1c h PHE 7 Ca -0.39 -0.17 0.00 0.00 3.82 0.00 0.00 57.97 61.23 1u1c h PHE 7 Cb 1.24 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 39.16 1u1c h PHE 7 CO 0.52 1.02 -0.97 0.72 -0.18 0.00 0.00 178.31 179.42 1u1c n HIS 8 N -3.61 0.00 0.26 -0.55 8.25 -1.26 -4.83 115.22 113.48 1u1c n HIS 8 Ca -0.04 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.55 1u1c n HIS 8 Cb 0.85 0.00 0.68 0.00 1.12 0.00 0.00 29.99 32.64 1u1c n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1c h LEU 9 N 0.00 0.00 -0.94 2.41 3.38 -1.92 -3.45 115.31 114.79 1u1c h LEU 9 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1u1c h LEU 9 Cb 0.97 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.80 1u1c h LEU 9 CO 0.00 0.13 -0.38 0.61 0.09 0.00 0.00 178.44 178.89 1u1c n GLY 10 N -0.41 0.11 3.23 0.83 0.00 -1.26 -4.69 105.19 103.02 1u1c n GLY 10 Ca -0.01 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1u1c n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1c s LEU 11 N -4.52 2.26 0.23 0.99 1.43 -1.26 -4.75 118.68 113.06 1u1c s LEU 11 Ca 0.32 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1u1c s LEU 11 Cb -0.14 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1u1c s LEU 11 CO 0.41 0.04 0.22 0.42 0.23 0.00 0.00 176.35 177.66 1u1c s THR 12 N -1.10 4.62 0.40 5.49 -4.23 -1.26 0.42 115.64 119.97 1u1c s THR 12 Ca 0.04 -1.26 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1u1c s THR 12 Cb -0.10 -3.47 0.25 0.00 1.34 0.00 0.00 72.50 70.52 1u1c s THR 12 CO 0.03 -0.30 2.04 0.50 -0.54 0.00 0.00 174.62 176.35 1u1c h LYS 13 N 1.61 0.51 -0.37 3.99 3.64 -1.95 -2.45 116.57 121.54 1u1c h LYS 13 Ca -0.49 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 1u1c h LYS 13 Cb 1.23 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1u1c h LYS 13 CO 0.61 0.37 0.04 -0.97 -2.27 0.00 0.00 179.45 177.24 1u1c h ASN 14 N 0.52 0.52 -0.37 4.20 -0.00 -1.95 -2.51 115.58 115.98 1u1c h ASN 14 Ca 0.14 -0.09 0.07 0.00 -0.00 0.00 0.00 56.30 56.42 1u1c h ASN 14 Cb 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.17 1u1c h ASN 14 CO -0.02 0.56 0.26 0.44 -0.00 0.00 0.00 177.43 178.67 1u1c h ASP 15 N 0.54 0.15 1.63 1.15 3.45 -1.84 -2.39 116.42 119.11 1u1c h ASP 15 Ca 0.12 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 1u1c h ASP 15 Cb 0.28 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1u1c h ASP 15 CO 0.00 0.10 -0.09 -0.07 -1.57 0.00 0.00 179.24 177.61 1u1c h LEU 16 N 0.17 0.00 0.30 1.55 4.07 -1.51 -3.48 115.31 116.41 1u1c h LEU 16 Ca 0.17 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.72 1u1c h LEU 16 Cb 0.45 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.20 1u1c h LEU 16 CO -0.03 0.09 -0.63 0.00 -1.08 0.00 0.00 178.44 176.80 1u1c n GLN 17 N -3.14 -4.87 -0.56 1.13 6.02 -0.90 -2.17 117.38 112.89 1u1c n GLN 17 Ca 0.03 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1u1c n GLN 17 Cb 0.50 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 26.21 1u1c n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1c n GLY 18 N -1.50 0.73 3.75 1.08 0.00 -1.26 -4.82 105.19 103.16 1u1c n GLY 18 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1u1c n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1c s ALA 19 N -2.14 3.59 -0.10 4.61 0.00 -0.92 -4.93 121.76 121.87 1u1c s ALA 19 Ca 0.00 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.26 1u1c s ALA 19 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1u1c s ALA 19 CO 0.00 -0.69 0.09 0.25 0.00 0.00 0.00 175.76 175.42 1u1c n THR 20 N 2.20 0.00 -4.89 0.00 -2.24 -1.26 -4.24 114.28 103.85 1u1c n THR 20 Ca 0.06 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 1u1c n THR 20 Cb 0.41 0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 69.47 1u1c n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1c s LEU 21 N -2.18 2.69 -0.02 3.22 0.20 -1.26 0.09 118.68 121.43 1u1c s LEU 21 Ca 0.01 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.62 1u1c s LEU 21 Cb 0.02 -1.55 -0.00 0.00 -0.43 0.00 0.00 46.19 44.22 1u1c s LEU 21 CO 0.09 0.31 -0.12 0.00 -0.29 0.00 0.00 176.35 176.34 1u1c s ALA 22 N -0.49 1.04 -0.16 5.97 0.00 -0.14 -1.88 121.76 126.10 1u1c s ALA 22 Ca 0.06 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 1u1c s ALA 22 Cb -0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1u1c s ALA 22 CO 0.02 0.22 0.32 0.42 0.00 0.00 0.00 175.76 176.74 1u1c s ILE 23 N -0.10 5.29 -0.46 0.00 1.01 0.72 -1.22 121.20 126.42 1u1c s ILE 23 Ca 0.01 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.30 1u1c s ILE 23 Cb -0.07 -3.66 0.12 0.00 0.01 0.00 0.00 42.46 38.87 1u1c s ILE 23 CO 0.00 0.37 0.21 0.68 0.00 0.00 0.00 174.94 176.20 1u1c s VAL 24 N 0.56 2.32 0.63 2.92 -7.23 0.15 -1.80 120.40 117.94 1u1c s VAL 24 Ca 0.18 -2.96 -0.11 0.00 -1.81 0.00 0.00 61.98 57.28 1u1c s VAL 24 Cb -0.13 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1u1c s VAL 24 CO 0.05 -0.76 1.03 -2.16 -0.31 0.00 0.00 175.10 172.95 1u1c s PRO 25 N 0.11 3.53 0.03 4.82 0.04 -1.24 -3.00 135.00 139.29 1u1c s PRO 25 Ca 0.16 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 1u1c s PRO 25 Cb -0.24 -2.08 -0.24 0.00 0.04 0.00 0.00 34.50 31.98 1u1c s PRO 25 CO -0.03 -0.61 1.13 0.78 0.04 0.00 0.00 177.00 178.31 1u1c h GLY 26 N -0.34 0.60 -5.69 0.56 0.00 -1.84 -1.51 103.07 94.84 1u1c h GLY 26 Ca -0.44 -1.07 -0.59 0.00 0.00 0.00 0.00 47.33 45.23 1u1c h GLY 26 CO 0.62 0.95 0.38 -0.35 0.00 0.00 0.00 176.54 178.14 1u1c s ASP 27 N -7.01 6.84 0.61 0.19 -1.08 -1.26 -1.62 116.67 113.34 1u1c s ASP 27 Ca -0.12 1.04 0.34 0.00 -0.52 0.00 0.00 52.55 53.30 1u1c s ASP 27 Cb 0.05 -2.43 2.00 0.00 -1.46 0.00 0.00 42.92 41.09 1u1c s ASP 27 CO 0.87 -0.43 2.29 1.55 0.52 0.00 0.00 175.17 179.96 1u1c h PRO 28 N 7.53 0.00 0.00 4.34 0.13 -1.87 -2.03 132.00 140.10 1u1c h PRO 28 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1u1c h PRO 28 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1u1c h PRO 28 CO 0.84 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.37 1u1c n ASP 29 N -3.60 0.59 0.00 1.44 10.43 -1.26 -3.16 116.55 120.99 1u1c n ASP 29 Ca -0.03 0.58 0.12 0.00 2.57 0.00 0.00 54.79 58.02 1u1c n ASP 29 Cb 0.08 -0.73 0.16 0.00 1.84 0.00 0.00 41.12 42.48 1u1c n ASP 29 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 1u1c n ARG 30 N -2.07 0.04 0.04 -1.24 0.63 -0.77 -4.42 116.66 108.86 1u1c n ARG 30 Ca 0.05 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.86 1u1c n ARG 30 Cb 0.36 -1.52 -0.08 0.00 0.45 0.00 0.00 32.46 31.67 1u1c n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1u1c h VAL 31 N 0.00 1.08 -0.85 5.15 2.07 -1.61 -2.71 116.25 119.38 1u1c h VAL 31 Ca 0.00 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1u1c h VAL 31 Cb 0.53 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1u1c h VAL 31 CO 0.00 0.08 0.54 -0.08 0.02 0.00 0.00 177.57 178.13 1u1c h GLU 32 N -0.17 1.00 -0.80 1.57 4.81 -1.80 -2.39 114.58 116.80 1u1c h GLU 32 Ca -0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1u1c h GLU 32 Cb 0.16 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1u1c h GLU 32 CO 0.01 0.66 0.37 0.87 -0.73 0.00 0.00 179.01 180.19 1u1c h LYS 33 N 1.03 1.17 -0.34 1.92 1.57 -1.77 -0.91 116.57 119.24 1u1c h LYS 33 Ca 0.35 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 1u1c h LYS 33 Cb 0.05 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1u1c h LYS 33 CO -0.13 0.91 -0.45 0.82 -0.57 0.00 0.00 179.45 180.03 1u1c h ILE 34 N 1.14 1.27 -0.29 1.86 2.04 -1.30 -3.25 117.51 118.99 1u1c h ILE 34 Ca 0.27 -1.63 -0.12 0.00 1.00 0.00 0.00 64.86 64.38 1u1c h ILE 34 Cb 0.15 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1u1c h ILE 34 CO -0.03 0.54 -0.32 0.00 0.00 0.00 0.00 178.15 178.34 1u1c h ALA 35 N 0.73 0.90 0.00 1.87 0.00 -1.22 -2.89 119.26 118.65 1u1c h ALA 35 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u1c h ALA 35 Cb 1.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1u1c h ALA 35 CO 0.11 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1u1c n ALA 36 N -2.50 1.46 1.25 0.00 0.00 -0.37 -1.17 120.51 119.19 1u1c n ALA 36 Ca -0.01 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.65 1u1c n ALA 36 Cb 0.47 -1.31 0.68 0.00 0.00 0.00 0.00 19.45 19.29 1u1c n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u1c n LEU 37 N -2.04 0.05 -4.51 0.00 4.32 -1.09 -4.87 117.00 108.85 1u1c n LEU 37 Ca 0.01 0.34 -0.24 0.00 -0.02 0.00 0.00 56.01 56.09 1u1c n LEU 37 Cb 0.15 -0.36 -0.11 0.00 -1.62 0.00 0.00 43.42 41.49 1u1c n LEU 37 CO 0.15 0.01 -0.36 -0.04 -1.22 0.00 0.00 177.39 175.92 1u1c s MET 38 N -2.74 1.74 0.52 3.23 -1.94 -0.32 -5.13 119.30 114.67 1u1c s MET 38 Ca 0.23 -1.91 -0.20 0.00 -1.71 0.00 0.00 55.69 52.10 1u1c s MET 38 Cb 0.20 -1.48 -0.07 0.00 2.01 0.00 0.00 34.83 35.49 1u1c s MET 38 CO 0.50 0.07 1.11 -0.51 -0.01 0.00 0.00 175.02 176.18 1u1c s ASP 39 N -3.56 5.90 -0.99 3.03 1.01 -0.14 -4.28 116.67 117.64 1u1c s ASP 39 Ca 0.32 2.13 -0.14 0.00 0.71 0.00 0.00 52.55 55.57 1u1c s ASP 39 Cb 0.04 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.40 1u1c s ASP 39 CO 0.15 -1.09 0.69 0.29 0.21 0.00 0.00 175.17 175.42 1u1c n LYS 40 N -1.16 -1.12 -2.75 8.23 5.02 -1.26 0.96 118.16 126.07 1u1c n LYS 40 Ca 0.11 0.62 -0.42 0.00 -2.02 0.00 0.00 58.31 56.59 1u1c n LYS 40 Cb 0.51 -3.33 -0.03 0.00 -0.02 0.00 0.00 35.03 32.16 1u1c n LYS 40 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1u1c s PRO 41 N -5.54 4.32 0.00 1.97 0.02 -1.26 -4.23 135.00 130.29 1u1c s PRO 41 Ca 0.25 1.25 0.05 0.00 0.02 0.00 0.00 61.00 62.56 1u1c s PRO 41 Cb -0.11 -3.59 -0.01 0.00 0.02 0.00 0.00 34.50 30.81 1u1c s PRO 41 CO 0.88 -0.43 -0.14 0.08 -0.33 0.00 0.00 177.00 177.06 1u1c s VAL 42 N 2.46 1.14 -0.06 3.83 1.01 0.44 -5.00 120.40 124.21 1u1c s VAL 42 Ca 0.43 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 1u1c s VAL 42 Cb -0.17 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1u1c s VAL 42 CO 0.12 0.23 0.77 -0.75 0.00 0.00 0.00 175.10 175.47 1u1c s LYS 43 N -0.57 4.45 -0.25 2.72 2.20 -1.26 -0.48 119.74 126.55 1u1c s LYS 43 Ca 0.05 1.00 -0.15 0.00 -0.36 0.00 0.00 55.97 56.51 1u1c s LYS 43 Cb -0.06 -3.46 -0.11 0.00 -1.51 0.00 0.00 37.83 32.69 1u1c s LYS 43 CO 0.00 -0.00 -0.31 1.28 -0.36 0.00 0.00 175.35 175.96 1u1c n LEU 44 N 3.96 1.94 -3.55 5.43 4.77 -0.46 -4.93 117.00 124.16 1u1c n LEU 44 Ca 0.01 0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 1u1c n LEU 44 Cb 0.51 -0.81 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 1u1c n LEU 44 CO 0.48 0.33 0.33 0.00 -1.33 0.00 0.00 177.39 177.20 1u1c s ALA 45 N -2.60 -1.48 -0.23 -1.18 0.00 -1.14 -5.02 121.76 110.11 1u1c s ALA 45 Ca -0.35 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1u1c s ALA 45 Cb 0.11 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.56 1u1c s ALA 45 CO 0.48 -0.45 0.10 0.45 0.00 0.00 0.00 175.76 176.33 1u1c s SER 46 N -1.66 2.96 -0.02 0.00 0.15 -1.26 -0.95 113.70 112.91 1u1c s SER 46 Ca -0.08 -0.95 -0.00 0.00 0.70 0.00 0.00 55.95 55.62 1u1c s SER 46 Cb -0.01 -0.36 0.03 0.00 -1.71 0.00 0.00 66.02 63.97 1u1c s SER 46 CO 0.03 -0.38 0.03 -1.00 1.20 0.00 0.00 173.24 173.11 1u1c s HIS 47 N 2.06 0.03 0.00 3.44 3.76 -0.56 -5.01 115.29 119.01 1u1c s HIS 47 Ca 0.05 0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1u1c s HIS 47 Cb -0.16 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.30 1u1c s HIS 47 CO -0.21 -0.09 0.00 0.54 -0.85 0.00 0.00 174.74 174.14 1u1c n ARG 48 N 4.14 0.00 -0.14 1.40 1.74 -1.26 -0.52 116.66 122.01 1u1c n ARG 48 Ca -0.27 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 56.88 1u1c n ARG 48 Cb 0.50 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.19 1u1c n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1c n GLU 49 N 14.00 1.78 -3.44 5.56 0.00 -1.26 -4.79 120.64 132.49 1u1c n GLU 49 Ca 0.00 -1.20 -0.43 0.00 0.00 0.00 0.00 57.16 55.53 1u1c n GLU 49 Cb 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 31.44 30.05 1u1c n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1c s PHE 50 N -1.63 3.37 -0.19 -1.84 0.40 0.32 -4.18 117.98 114.23 1u1c s PHE 50 Ca 0.27 -1.66 -0.05 0.00 -0.60 0.00 0.00 56.93 54.88 1u1c s PHE 50 Cb 0.14 -3.64 -0.03 0.00 0.51 0.00 0.00 43.02 40.01 1u1c s PHE 50 CO 0.20 -1.00 0.01 0.99 0.70 0.00 0.00 175.22 176.12 1u1c s THR 51 N 1.35 4.15 -0.08 0.64 2.01 -1.26 -1.49 115.64 120.96 1u1c s THR 51 Ca 0.06 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.85 1u1c s THR 51 Cb -0.27 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.37 1u1c s THR 51 CO 0.00 0.44 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.25 1u1c s THR 52 N 0.80 1.98 0.12 -0.82 2.01 -0.12 -1.84 115.64 117.76 1u1c s THR 52 Ca 0.01 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.11 1u1c s THR 52 Cb -0.14 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1u1c s THR 52 CO 0.02 0.55 -0.22 0.26 -0.69 0.00 0.00 174.62 174.54 1u1c s TRP 53 N 0.17 1.93 -0.06 4.92 0.52 0.45 -1.35 118.94 125.51 1u1c s TRP 53 Ca -0.13 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 55.61 1u1c s TRP 53 Cb -0.16 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.10 1u1c s TRP 53 CO 0.07 0.26 -0.15 0.50 0.02 0.00 0.00 176.95 177.65 1u1c s ARG 54 N -2.09 2.60 0.26 4.98 3.52 0.37 -1.24 118.95 127.35 1u1c s ARG 54 Ca 0.10 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1u1c s ARG 54 Cb -0.09 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.88 1u1c s ARG 54 CO 0.05 0.56 0.25 0.00 -0.81 0.00 0.00 175.30 175.35 1u1c s ALA 55 N -0.56 1.18 -0.08 6.12 0.00 -0.52 -0.42 121.76 127.48 1u1c s ALA 55 Ca 0.08 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 50.37 1u1c s ALA 55 Cb -0.11 1.36 -0.02 0.00 0.00 0.00 0.00 23.12 24.35 1u1c s ALA 55 CO 0.01 -0.66 -0.19 -2.00 0.00 0.00 0.00 175.76 172.92 1u1c s GLU 56 N -3.80 2.80 -0.16 0.00 2.12 0.27 -0.24 118.70 119.69 1u1c s GLU 56 Ca 0.37 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 1u1c s GLU 56 Cb 0.04 -2.36 0.05 0.00 0.26 0.00 0.00 34.13 32.12 1u1c s GLU 56 CO 0.17 0.39 0.01 -1.17 -0.54 0.00 0.00 175.26 174.12 1u1c s LEU 57 N -0.14 1.17 -1.43 2.70 2.96 0.45 -0.97 118.68 123.42 1u1c s LEU 57 Ca -0.03 -0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 53.17 1u1c s LEU 57 Cb -0.14 -0.64 0.05 0.00 0.50 0.00 0.00 46.19 45.96 1u1c s LEU 57 CO 0.04 -0.25 0.94 0.47 -1.32 0.00 0.00 176.35 176.22 1u1c n ASP 58 N 5.03 -3.92 -0.31 3.68 10.43 -1.26 -1.70 116.55 128.50 1u1c n ASP 58 Ca -0.09 -0.75 -0.04 0.00 2.57 0.00 0.00 54.79 56.48 1u1c n ASP 58 Cb 0.48 -4.17 -0.02 0.00 1.84 0.00 0.00 41.12 39.25 1u1c n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1c n GLY 59 N -1.68 0.66 3.10 0.44 0.00 -1.26 -5.02 105.19 101.43 1u1c n GLY 59 Ca -0.07 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1u1c n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1c s LYS 60 N -1.74 2.29 0.30 1.61 1.02 -0.69 -5.12 119.74 117.41 1u1c s LYS 60 Ca 0.00 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 1u1c s LYS 60 Cb 0.00 -1.83 -0.11 0.00 -0.52 0.00 0.00 37.83 35.37 1u1c s LYS 60 CO 0.00 0.06 1.57 -1.25 -0.92 0.00 0.00 175.35 174.81 1u1c s PRO 61 N 0.63 4.13 0.02 -1.68 0.04 -1.26 -0.41 135.00 136.47 1u1c s PRO 61 Ca -0.14 2.56 0.03 0.00 0.04 0.00 0.00 61.00 63.49 1u1c s PRO 61 Cb -0.16 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1u1c s PRO 61 CO 0.04 -0.61 -0.08 0.08 0.04 0.00 0.00 177.00 176.47 1u1c s VAL 62 N -0.13 0.63 -0.07 -0.36 1.01 0.67 -4.51 120.40 117.64 1u1c s VAL 62 Ca 0.62 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1u1c s VAL 62 Cb -0.47 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1u1c s VAL 62 CO 0.49 -0.11 -0.00 -0.63 0.00 0.00 0.00 175.10 174.85 1u1c s ILE 63 N -0.81 4.27 -0.18 2.22 -1.09 -0.79 -1.44 121.20 123.37 1u1c s ILE 63 Ca -0.03 -0.32 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1u1c s ILE 63 Cb -0.07 -2.81 0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1u1c s ILE 63 CO 0.00 0.56 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.45 1u1c s VAL 64 N -0.92 1.76 -0.03 2.92 1.01 -0.37 -0.20 120.40 124.57 1u1c s VAL 64 Ca 0.14 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1u1c s VAL 64 Cb -0.11 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.58 1u1c s VAL 64 CO 0.04 0.34 -0.01 0.00 0.00 0.00 0.00 175.10 175.47 1u1c s SER 66 N 0.95 7.50 0.05 0.00 1.04 -0.77 -3.68 113.70 118.80 1u1c s SER 66 Ca -0.10 1.78 0.14 0.00 0.48 0.00 0.00 55.95 58.25 1u1c s SER 66 Cb -0.13 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.26 1u1c s SER 66 CO -0.01 0.06 0.88 0.71 0.98 0.00 0.00 173.24 175.85 1u1c h THR 67 N 3.66 0.75 0.00 2.02 1.35 -1.42 -3.39 112.91 115.89 1u1c h THR 67 Ca -0.44 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 1u1c h THR 67 Cb 1.21 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1u1c h THR 67 CO 0.70 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 177.01 1u1c n GLY 68 N 1.43 -0.99 3.71 5.82 0.00 -0.64 -3.48 105.19 111.04 1u1c n GLY 68 Ca -0.10 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1u1c n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1c s ILE 69 N -1.41 4.85 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.07 1u1c s ILE 69 Ca 0.00 2.06 0.00 0.00 0.00 0.00 0.00 60.65 62.71 1u1c s ILE 69 Cb 0.00 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1u1c s ILE 69 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1u1c n GLY 70 N 2.86 1.89 0.22 6.18 0.00 -1.20 -4.68 105.19 110.46 1u1c n GLY 70 Ca 0.06 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 1u1c n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1c h GLY 71 N 0.00 0.79 0.17 -0.02 0.00 -1.87 -2.78 103.07 99.36 1u1c h GLY 71 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.19 1u1c h GLY 71 CO 0.00 0.15 -0.14 -2.55 0.00 0.00 0.00 176.54 174.00 1u1c h PRO 72 N 0.58 -0.06 -0.01 4.80 0.11 -1.95 0.34 132.00 135.82 1u1c h PRO 72 Ca 0.24 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.20 1u1c h PRO 72 Cb 0.12 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1u1c h PRO 72 CO -0.15 -0.04 -0.70 0.66 -0.21 0.00 0.00 178.00 177.56 1u1c h SER 73 N -0.06 0.06 -0.48 -2.05 4.64 -1.80 -2.97 113.55 110.88 1u1c h SER 73 Ca 0.18 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1u1c h SER 73 Cb 0.34 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1u1c h SER 73 CO -0.41 0.74 0.26 0.74 -0.87 0.00 0.00 176.83 177.28 1u1c h THR 74 N 0.03 1.18 -0.68 2.95 2.02 -1.09 -1.81 112.91 115.50 1u1c h THR 74 Ca -0.01 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1u1c h THR 74 Cb 1.24 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1u1c h THR 74 CO 0.09 0.19 0.41 0.77 0.37 0.00 0.00 175.52 177.35 1u1c h SER 75 N 0.64 0.81 -0.13 4.18 4.64 -0.27 -0.52 113.55 122.91 1u1c h SER 75 Ca 0.17 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1u1c h SER 75 Cb 0.07 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1u1c h SER 75 CO -0.03 0.63 -0.02 0.40 -0.87 0.00 0.00 176.83 176.94 1u1c h ILE 76 N 0.94 1.28 -0.19 0.95 2.04 -1.36 -2.36 117.51 118.81 1u1c h ILE 76 Ca 0.25 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1u1c h ILE 76 Cb -0.03 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1u1c h ILE 76 CO -0.05 0.27 0.09 0.00 0.00 0.00 0.00 178.15 178.47 1u1c h ALA 77 N 0.71 0.24 -0.37 1.87 0.00 -0.98 -1.43 119.26 119.31 1u1c h ALA 77 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1u1c h ALA 77 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1u1c h ALA 77 CO 0.01 -0.19 0.07 0.28 0.00 0.00 0.00 179.25 179.42 1u1c h VAL 78 N 0.17 1.23 -0.29 0.00 2.07 -1.19 -1.17 116.25 117.08 1u1c h VAL 78 Ca 0.06 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1u1c h VAL 78 Cb 0.12 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1u1c h VAL 78 CO -0.01 0.28 0.14 -0.08 0.02 0.00 0.00 177.57 177.92 1u1c h GLU 79 N 0.44 0.42 -0.06 1.57 4.57 -1.39 -0.40 114.58 119.74 1u1c h GLU 79 Ca 0.11 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.08 1u1c h GLU 79 Cb 0.34 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1u1c h GLU 79 CO 0.01 0.40 -0.62 0.93 -1.18 0.00 0.00 179.01 178.55 1u1c h GLU 80 N 0.34 0.23 -0.44 1.92 5.08 -1.23 -1.32 114.58 119.14 1u1c h GLU 80 Ca 0.10 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1u1c h GLU 80 Cb 0.12 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1u1c h GLU 80 CO -0.01 0.77 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.52 1u1c h LEU 81 N 0.16 0.86 -1.23 1.33 3.38 -1.14 -2.32 115.31 116.35 1u1c h LEU 81 Ca -0.01 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1u1c h LEU 81 Cb 1.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1u1c h LEU 81 CO 0.10 1.02 0.10 0.00 0.09 0.00 0.00 178.44 179.75 1u1c h ALA 82 N 1.05 1.38 -0.02 1.53 0.00 -0.77 -0.62 119.26 121.80 1u1c h ALA 82 Ca 0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1u1c h ALA 82 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1u1c h ALA 82 CO 0.05 0.45 -0.32 1.96 0.00 0.00 0.00 179.25 181.39 1u1c h GLN 83 N 0.62 0.04 -0.01 0.00 4.20 -1.03 -2.90 115.11 116.03 1u1c h GLN 83 Ca 0.14 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1u1c h GLN 83 Cb 0.24 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1u1c h GLN 83 CO -0.00 0.36 -0.06 1.28 -0.67 0.00 0.00 178.83 179.73 1u1c n LEU 84 N -4.15 1.09 0.00 1.46 4.77 -0.62 -4.92 117.00 114.64 1u1c n LEU 84 Ca -0.02 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1u1c n LEU 84 Cb 0.37 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1u1c n LEU 84 CO 0.39 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1u1c n GLY 85 N 1.20 0.88 3.71 -0.72 0.00 -0.77 -4.79 105.19 104.70 1u1c n GLY 85 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1u1c n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1c s ILE 86 N -2.00 3.88 0.00 -0.61 -1.09 -0.34 -4.47 121.20 116.57 1u1c s ILE 86 Ca 0.00 1.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 1u1c s ILE 86 Cb 0.00 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1u1c s ILE 86 CO 0.00 0.10 0.00 0.54 -1.23 0.00 0.00 174.94 174.35 1u1c n ARG 87 N 4.02 6.59 -4.40 2.79 5.12 0.11 -4.15 116.66 126.74 1u1c n ARG 87 Ca 0.10 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.79 1u1c n ARG 87 Cb 0.45 -0.49 -0.16 0.00 -1.16 0.00 0.00 32.46 31.10 1u1c n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1c s THR 88 N -0.98 0.85 -0.08 0.55 2.01 -0.66 -1.67 115.64 115.66 1u1c s THR 88 Ca 0.00 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1u1c s THR 88 Cb 0.00 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.71 1u1c s THR 88 CO 0.00 0.29 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.69 1u1c s PHE 89 N 0.73 1.92 -0.25 4.92 0.40 0.12 -0.96 117.98 124.85 1u1c s PHE 89 Ca -0.13 -0.75 0.02 0.00 -0.60 0.00 0.00 56.93 55.48 1u1c s PHE 89 Cb -0.15 -1.34 0.06 0.00 0.51 0.00 0.00 43.02 42.10 1u1c s PHE 89 CO 0.02 -0.34 -0.11 -0.51 0.70 0.00 0.00 175.22 174.99 1u1c s LEU 90 N 0.52 3.19 -0.11 -0.37 1.43 -0.36 0.01 118.68 122.99 1u1c s LEU 90 Ca -0.16 -1.30 -0.23 0.00 -1.03 0.00 0.00 54.13 51.41 1u1c s LEU 90 Cb -0.17 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1u1c s LEU 90 CO 0.06 -0.18 0.69 -0.60 0.23 0.00 0.00 176.35 176.54 1u1c s ARG 91 N 1.17 4.37 -0.19 1.70 3.52 0.78 0.33 118.95 130.62 1u1c s ARG 91 Ca -0.07 0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 56.32 1u1c s ARG 91 Cb -0.19 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1u1c s ARG 91 CO -0.06 -0.04 -0.11 -1.50 -0.81 0.00 0.00 175.30 172.78 1u1c s ILE 92 N 1.19 2.83 0.45 4.11 2.07 -1.16 -0.54 121.20 130.15 1u1c s ILE 92 Ca 0.35 -0.68 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 1u1c s ILE 92 Cb -0.17 -2.25 -0.01 0.00 0.13 0.00 0.00 42.46 40.16 1u1c s ILE 92 CO 0.15 0.48 0.12 -0.83 -1.91 0.00 0.00 174.94 172.95 1u1c s GLY 93 N 1.26 2.82 0.17 1.50 0.00 -0.02 -3.85 107.32 109.21 1u1c s GLY 93 Ca 0.03 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 43.91 1u1c s GLY 93 CO -0.06 -1.91 0.17 -0.51 0.00 0.00 0.00 173.10 170.80 1u1c s THR 94 N -3.11 4.63 0.10 0.90 -4.23 -1.26 -2.28 115.64 110.38 1u1c s THR 94 Ca 0.17 -1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 59.44 1u1c s THR 94 Cb 0.01 -3.38 0.05 0.00 1.34 0.00 0.00 72.50 70.51 1u1c s THR 94 CO 0.12 -0.13 0.47 0.28 -0.54 0.00 0.00 174.62 174.82 1u1c s THR 95 N -1.79 0.04 -0.23 3.99 -1.32 -1.07 -4.80 115.64 110.46 1u1c s THR 95 Ca 0.32 -0.36 -0.05 0.00 -1.21 0.00 0.00 61.69 60.39 1u1c s THR 95 Cb -0.10 -1.05 -0.01 0.00 -1.51 0.00 0.00 72.50 69.83 1u1c s THR 95 CO 0.24 -0.20 -0.01 -0.83 -2.21 0.00 0.00 174.62 171.62 1u1c s GLY 96 N -2.42 1.65 0.51 6.08 0.00 -1.09 -2.26 107.32 109.78 1u1c s GLY 96 Ca -0.01 -1.17 -0.20 0.00 0.00 0.00 0.00 44.72 43.34 1u1c s GLY 96 CO -0.08 0.46 1.06 0.00 0.00 0.00 0.00 173.10 174.55 1u1c s ALA 97 N 1.51 2.82 0.00 3.20 0.00 0.28 -1.37 121.76 128.20 1u1c s ALA 97 Ca 0.06 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1u1c s ALA 97 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1u1c s ALA 97 CO -0.01 -0.46 0.31 0.44 0.00 0.00 0.00 175.76 176.03 1u1c n ILE 98 N -1.11 0.00 -3.67 0.00 -5.35 0.01 -0.56 119.36 108.68 1u1c n ILE 98 Ca 0.10 -0.38 -0.37 0.00 -0.27 0.00 0.00 62.75 61.83 1u1c n ILE 98 Cb 0.52 1.20 -0.07 0.00 -1.74 0.00 0.00 39.64 39.55 1u1c n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1c s GLN 99 N -0.14 3.92 0.55 6.28 -1.52 -1.23 -4.77 119.66 122.75 1u1c s GLN 99 Ca 0.00 0.03 0.23 0.00 -1.95 0.00 0.00 55.36 53.67 1u1c s GLN 99 Cb 0.00 -3.31 1.53 0.00 -0.22 0.00 0.00 33.01 31.01 1u1c s GLN 99 CO 0.00 0.51 2.18 -1.35 -0.25 0.00 0.00 175.29 176.38 1u1c h PRO 100 N 5.77 0.00 0.00 2.91 0.11 -1.96 -2.59 132.00 136.23 1u1c h PRO 100 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u1c h PRO 100 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u1c h PRO 100 CO 0.67 0.00 -0.14 -2.39 -0.21 0.00 0.00 178.00 175.93 1u1c n HIS 101 N -4.20 0.14 -3.32 0.65 1.44 -1.26 -4.76 115.22 103.91 1u1c n HIS 101 Ca -0.02 0.04 -0.40 0.00 -2.01 0.00 0.00 57.72 55.33 1u1c n HIS 101 Cb 0.13 -0.51 -0.09 0.00 0.12 0.00 0.00 29.99 29.65 1u1c n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1c s ILE 102 N -3.02 5.11 0.45 0.61 1.01 -0.98 -5.07 121.20 119.31 1u1c s ILE 102 Ca 0.13 0.45 -0.02 0.00 0.00 0.00 0.00 60.65 61.21 1u1c s ILE 102 Cb 0.18 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1u1c s ILE 102 CO 0.59 -0.01 0.70 0.20 0.00 0.00 0.00 174.94 176.41 1u1c s ASN 103 N 1.68 5.99 0.12 3.58 -0.87 -1.26 -4.86 114.94 119.31 1u1c s ASN 103 Ca 0.16 0.51 -0.31 0.00 -1.57 0.00 0.00 52.86 51.65 1u1c s ASN 103 Cb -0.16 -1.81 -0.08 0.00 -0.02 0.00 0.00 41.25 39.18 1u1c s ASN 103 CO 0.11 -0.64 1.46 -0.69 -2.57 0.00 0.00 177.10 174.77 1u1c s VAL 104 N -2.60 3.13 0.00 1.60 1.01 -1.26 -2.57 120.40 119.71 1u1c s VAL 104 Ca 0.47 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1u1c s VAL 104 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1u1c s VAL 104 CO 0.40 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1u1c n GLY 105 N 3.62 2.87 3.73 4.51 0.00 -0.48 -5.03 105.19 114.40 1u1c n GLY 105 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1u1c n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1c s ASP 106 N -1.47 4.32 -0.07 1.61 1.11 -1.06 -4.79 116.67 116.31 1u1c s ASP 106 Ca 0.00 2.25 0.01 0.00 0.18 0.00 0.00 52.55 54.99 1u1c s ASP 106 Cb 0.00 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 1u1c s ASP 106 CO 0.00 -2.17 -0.08 0.54 1.18 0.00 0.00 175.17 174.64 1u1c s VAL 107 N -2.14 3.58 -0.13 -1.27 0.11 0.06 -2.08 120.40 118.54 1u1c s VAL 107 Ca 0.72 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1u1c s VAL 107 Cb -0.26 -2.47 0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1u1c s VAL 107 CO 0.46 0.59 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.83 1u1c s LEU 108 N -0.66 2.12 -0.22 2.54 1.43 0.59 -2.09 118.68 122.39 1u1c s LEU 108 Ca 0.10 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1u1c s LEU 108 Cb -0.11 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1u1c s LEU 108 CO 0.02 0.11 0.06 -0.69 0.23 0.00 0.00 176.35 176.07 1u1c s VAL 109 N 0.64 4.42 -0.22 -1.59 1.01 -0.73 -1.20 120.40 122.73 1u1c s VAL 109 Ca -0.11 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 1u1c s VAL 109 Cb -0.16 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1u1c s VAL 109 CO 0.02 0.39 0.54 -0.89 0.00 0.00 0.00 175.10 175.16 1u1c s THR 110 N 1.07 5.08 -0.01 3.92 2.01 -0.74 -2.50 115.64 124.47 1u1c s THR 110 Ca 0.04 0.98 -0.10 0.00 0.31 0.00 0.00 61.69 62.91 1u1c s THR 110 Cb -0.14 -3.86 -0.31 0.00 0.01 0.00 0.00 72.50 68.20 1u1c s THR 110 CO 0.03 0.14 0.84 0.74 -0.69 0.00 0.00 174.62 175.67 1u1c h THR 111 N 5.22 1.12 -2.50 -0.82 2.02 -1.62 -3.41 112.91 112.91 1u1c h THR 111 Ca -0.32 -2.67 0.01 0.00 0.77 0.00 0.00 66.41 64.21 1u1c h THR 111 Cb 1.15 2.86 -0.15 0.00 -1.74 0.00 0.00 68.15 70.26 1u1c h THR 111 CO 0.74 0.84 0.30 0.00 0.37 0.00 0.00 175.52 177.77 1u1c s ALA 112 N -2.60 -1.72 0.01 6.16 0.00 -1.26 -0.80 121.76 121.56 1u1c s ALA 112 Ca -0.12 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.77 1u1c s ALA 112 Cb 0.05 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1u1c s ALA 112 CO 0.88 -0.63 -0.14 -1.12 0.00 0.00 0.00 175.76 174.75 1u1c s SER 113 N -2.23 4.09 0.02 0.00 0.01 -0.23 -2.11 113.70 113.24 1u1c s SER 113 Ca -0.01 -0.30 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 1u1c s SER 113 Cb -0.01 -0.80 -0.05 0.00 0.21 0.00 0.00 66.02 65.37 1u1c s SER 113 CO -0.06 0.28 1.32 -0.69 0.41 0.00 0.00 173.24 174.50 1u1c s VAL 114 N -0.91 3.81 -1.17 3.43 1.01 0.14 -4.34 120.40 122.35 1u1c s VAL 114 Ca 0.15 1.23 -0.15 0.00 0.00 0.00 0.00 61.98 63.21 1u1c s VAL 114 Cb -0.11 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.65 1u1c s VAL 114 CO 0.05 0.03 1.40 -0.13 0.00 0.00 0.00 175.10 176.46 1u1c s ARG 115 N 1.91 4.02 -0.51 2.72 0.52 -1.26 -1.60 118.95 124.75 1u1c s ARG 115 Ca 0.62 -2.44 0.02 0.00 -0.52 0.00 0.00 55.73 53.41 1u1c s ARG 115 Cb -0.31 -5.06 0.59 0.00 0.52 0.00 0.00 34.95 30.69 1u1c s ARG 115 CO 0.27 -1.79 1.93 1.28 0.02 0.00 0.00 175.30 177.00 1u1c n LEU 116 N 5.90 6.91 -4.51 2.53 4.77 -0.53 -4.95 117.00 127.11 1u1c n LEU 116 Ca 0.35 -3.85 -0.24 0.00 -0.03 0.00 0.00 56.01 52.24 1u1c n LEU 116 Cb 0.44 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1u1c n LEU 116 CO 0.61 1.21 -0.32 1.51 -1.33 0.00 0.00 177.39 179.07 1u1c s ASP 117 N -1.56 3.17 -0.21 -1.43 -4.77 -1.22 -1.47 116.67 109.18 1u1c s ASP 117 Ca 0.59 -1.30 0.05 0.00 -3.30 0.00 0.00 52.55 48.58 1u1c s ASP 117 Cb 0.49 -0.25 -0.20 0.00 -1.09 0.00 0.00 42.92 41.86 1u1c s ASP 117 CO 0.07 -0.42 -0.02 0.61 0.70 0.00 0.00 175.17 176.10 1u1c n GLY 118 N -0.77 -0.56 0.28 2.12 0.00 -1.26 -4.61 105.19 100.39 1u1c n GLY 118 Ca -0.04 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.77 1u1c n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1c h ALA 119 N 0.28 1.42 -0.63 4.61 0.00 -1.98 -2.55 119.26 120.41 1u1c h ALA 119 Ca -0.53 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.27 1u1c h ALA 119 Cb 2.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 1u1c h ALA 119 CO -0.03 0.41 0.42 0.66 0.00 0.00 0.00 179.25 180.71 1u1c h SER 120 N 0.50 0.53 0.52 0.00 4.64 -1.87 -0.71 113.55 117.16 1u1c h SER 120 Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1u1c h SER 120 Cb 0.27 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1u1c h SER 120 CO 0.00 0.34 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.23 1u1c h LEU 121 N 0.60 0.00 -0.13 5.97 3.38 -1.56 -1.94 115.31 121.64 1u1c h LEU 121 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1u1c h LEU 121 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1u1c h LEU 121 CO -0.08 0.01 -0.00 1.41 0.09 0.00 0.00 178.44 179.86 1u1c n HIS 122 N -3.11 0.00 0.00 1.13 8.25 -0.27 -3.87 115.22 117.34 1u1c n HIS 122 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1u1c n HIS 122 Cb 0.20 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1u1c n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1c n PHE 123 N -0.86 0.00 -3.68 4.41 3.01 -0.79 -5.09 117.46 114.46 1u1c n PHE 123 Ca 0.23 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.54 1u1c n PHE 123 Cb 0.15 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.54 1u1c n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1c s ALA 124 N -1.87 -1.17 0.83 4.37 0.00 -0.83 -5.01 121.76 118.08 1u1c s ALA 124 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 1u1c s ALA 124 Cb 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 23.12 23.01 1u1c s ALA 124 CO 0.00 -0.28 1.13 -1.25 0.00 0.00 0.00 175.76 175.36 1u1c s PRO 125 N -0.81 1.70 0.42 0.00 0.04 -1.26 -3.86 135.00 131.22 1u1c s PRO 125 Ca -0.09 1.43 0.19 0.00 0.04 0.00 0.00 61.00 62.57 1u1c s PRO 125 Cb -0.03 -1.81 1.12 0.00 0.04 0.00 0.00 34.50 33.81 1u1c s PRO 125 CO 0.05 -2.10 1.83 1.25 0.04 0.00 0.00 177.00 178.06 1u1c h LEU 126 N -1.31 0.39 -2.07 -3.56 5.85 -1.93 -0.76 115.31 111.92 1u1c h LEU 126 Ca -0.44 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1u1c h LEU 126 Cb 1.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1u1c h LEU 126 CO 0.47 0.13 0.00 1.05 -0.34 0.00 0.00 178.44 179.74 1u1c h GLU 127 N 0.38 0.00 -6.55 1.25 9.09 -2.03 -3.42 114.58 113.30 1u1c h GLU 127 Ca 0.51 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.40 1u1c h GLU 127 Cb 1.35 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.46 1u1c h GLU 127 CO -0.20 0.00 0.61 0.12 0.05 0.00 0.00 179.01 179.58 1u1c s PHE 128 N -3.85 3.38 0.15 2.06 2.19 -0.29 -5.00 117.98 116.62 1u1c s PHE 128 Ca -0.01 1.23 -0.30 0.00 0.33 0.00 0.00 56.93 58.18 1u1c s PHE 128 Cb 0.11 -3.50 -0.07 0.00 -1.31 0.00 0.00 43.02 38.24 1u1c s PHE 128 CO 0.47 -1.58 1.17 -1.25 1.83 0.00 0.00 175.22 175.86 1u1c s PRO 129 N 0.75 4.51 -1.49 10.12 0.04 -1.26 -4.94 135.00 142.74 1u1c s PRO 129 Ca 0.59 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.31 1u1c s PRO 129 Cb -0.32 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1u1c s PRO 129 CO 0.31 -0.08 2.39 0.00 0.04 0.00 0.00 177.00 179.66 1u1c n ALA 130 N 2.83 6.06 -2.81 8.56 0.00 -1.26 -4.73 120.51 129.16 1u1c n ALA 130 Ca 0.05 -3.83 -0.37 0.00 0.00 0.00 0.00 53.44 49.29 1u1c n ALA 130 Cb 0.46 -3.45 -0.06 0.00 0.00 0.00 0.00 19.45 16.39 1u1c n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1c s VAL 131 N 2.67 5.43 0.47 0.00 0.11 -1.26 -1.07 120.40 126.74 1u1c s VAL 131 Ca 0.52 0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 59.68 1u1c s VAL 131 Cb 0.15 -3.46 -0.09 0.00 -1.53 0.00 0.00 36.38 31.45 1u1c s VAL 131 CO -0.08 0.59 0.98 0.00 -3.33 0.00 0.00 175.10 173.26 1u1c s ALA 132 N -0.82 2.99 0.17 1.54 0.00 0.02 -4.69 121.76 120.97 1u1c s ALA 132 Ca 0.15 0.40 -0.32 0.00 0.00 0.00 0.00 51.96 52.20 1u1c s ALA 132 Cb -0.13 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1u1c s ALA 132 CO 0.05 -0.10 1.58 0.34 0.00 0.00 0.00 175.76 177.63 1u1c s ASP 133 N -2.37 6.57 0.24 0.00 2.15 -0.10 -4.91 116.67 118.25 1u1c s ASP 133 Ca 0.63 2.64 -0.06 0.00 0.43 0.00 0.00 52.55 56.18 1u1c s ASP 133 Cb -0.11 -2.59 0.27 0.00 -0.30 0.00 0.00 42.92 40.18 1u1c s ASP 133 CO 0.20 -0.84 1.91 0.15 -0.17 0.00 0.00 175.17 176.42 1u1c h PHE 134 N 6.76 1.17 -0.38 -5.34 3.04 -1.95 0.30 116.94 120.54 1u1c h PHE 134 Ca -0.43 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.43 1u1c h PHE 134 Cb 1.20 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 1u1c h PHE 134 CO 0.65 0.70 -0.27 0.93 -2.02 0.00 0.00 178.31 178.30 1u1c h GLU 135 N 1.23 0.80 -0.39 1.11 5.08 -1.95 -0.39 114.58 120.07 1u1c h GLU 135 Ca 0.36 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1u1c h GLU 135 Cb -0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1u1c h GLU 135 CO -0.10 0.97 -0.22 0.00 -1.00 0.00 0.00 179.01 178.67 1u1c h THR 137 N 0.67 1.27 -0.68 0.00 2.02 -0.76 -2.01 112.91 113.42 1u1c h THR 137 Ca 0.09 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1u1c h THR 137 Cb 0.72 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1u1c h THR 137 CO 0.06 0.33 0.44 0.74 0.37 0.00 0.00 175.52 177.45 1u1c h THR 138 N 0.38 1.18 -0.73 3.16 2.02 -1.00 -1.54 112.91 116.39 1u1c h THR 138 Ca 0.09 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1u1c h THR 138 Cb 0.48 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1u1c h THR 138 CO 0.02 0.18 0.41 0.00 0.37 0.00 0.00 175.52 176.50 1u1c h ALA 139 N 1.24 0.93 -0.16 6.16 0.00 -1.10 -0.49 119.26 125.83 1u1c h ALA 139 Ca 0.25 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1u1c h ALA 139 Cb -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1u1c h ALA 139 CO -0.05 0.43 -0.69 -0.07 0.00 0.00 0.00 179.25 178.87 1u1c h LEU 140 N 1.00 0.78 -0.18 0.00 3.38 -1.17 -1.08 115.31 118.04 1u1c h LEU 140 Ca 0.26 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1u1c h LEU 140 Cb 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1u1c h LEU 140 CO -0.04 1.25 -0.13 0.58 0.09 0.00 0.00 178.44 180.19 1u1c h VAL 141 N 0.48 1.32 -0.41 1.22 2.07 -1.16 -2.23 116.25 117.54 1u1c h VAL 141 Ca -0.03 -1.23 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 1u1c h VAL 141 Cb 1.29 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1u1c h VAL 141 CO 0.14 0.37 -0.13 -0.33 0.02 0.00 0.00 177.57 177.63 1u1c h GLU 142 N 0.07 0.74 0.00 1.57 5.08 -1.14 -1.82 114.58 119.08 1u1c h GLU 142 Ca 0.03 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1u1c h GLU 142 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1u1c h GLU 142 CO 0.03 0.84 -0.21 0.00 -1.00 0.00 0.00 179.01 178.67 1u1c h ALA 143 N 1.18 1.60 -0.02 3.43 0.00 -1.17 0.13 119.26 124.41 1u1c h ALA 143 Ca 0.11 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 1u1c h ALA 143 Cb 0.61 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1u1c h ALA 143 CO 0.04 0.26 -0.99 0.00 0.00 0.00 0.00 179.25 178.57 1u1c h ALA 144 N 1.79 0.20 -0.48 0.00 0.00 -0.93 -3.06 119.26 116.79 1u1c h ALA 144 Ca -0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 1u1c h ALA 144 Cb 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1u1c h ALA 144 CO 0.03 0.71 -0.04 0.87 0.00 0.00 0.00 179.25 180.82 1u1c h LYS 145 N 0.38 0.87 -0.77 0.00 1.57 -1.01 -1.50 116.57 116.11 1u1c h LYS 145 Ca -0.11 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1u1c h LYS 145 Cb 1.63 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.84 1u1c h LYS 145 CO 0.19 0.93 0.36 1.03 -0.57 0.00 0.00 179.45 181.40 1u1c h SER 146 N 0.72 1.01 -0.02 0.86 0.87 -1.03 -2.99 113.55 112.98 1u1c h SER 146 Ca 0.13 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1u1c h SER 146 Cb 0.57 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1u1c h SER 146 CO 0.03 0.86 -0.49 2.30 -0.53 0.00 0.00 176.83 179.01 1u1c n ILE 147 N -4.31 0.00 -0.87 2.23 -5.35 -1.16 -5.06 119.36 104.84 1u1c n ILE 147 Ca 0.07 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1u1c n ILE 147 Cb 0.15 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 1u1c n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1c n GLY 148 N 1.42 -3.24 3.47 3.28 0.00 -0.58 -5.09 105.19 104.45 1u1c n GLY 148 Ca 0.09 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 1u1c n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1c s ALA 149 N -0.02 -1.72 -0.41 4.61 0.00 -1.13 -4.98 121.76 118.11 1u1c s ALA 149 Ca 0.00 0.82 -0.27 0.00 0.00 0.00 0.00 51.96 52.51 1u1c s ALA 149 Cb 0.00 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.69 1u1c s ALA 149 CO 0.00 -0.68 0.99 0.99 0.00 0.00 0.00 175.76 177.06 1u1c s THR 150 N -3.15 4.46 -0.07 0.00 2.01 -1.26 -4.88 115.64 112.76 1u1c s THR 150 Ca 0.01 1.17 0.06 0.00 0.31 0.00 0.00 61.69 63.23 1u1c s THR 150 Cb -0.01 -4.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 1u1c s THR 150 CO -0.09 -0.71 -0.25 -0.89 -0.69 0.00 0.00 174.62 172.00 1u1c s THR 151 N 3.79 2.04 -0.05 -0.82 2.01 -1.26 -0.76 115.64 120.60 1u1c s THR 151 Ca 0.41 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.42 1u1c s THR 151 Cb -0.10 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1u1c s THR 151 CO 0.23 0.56 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.49 1u1c s HIS 152 N -0.03 2.23 -0.15 4.92 3.76 -0.89 -5.00 115.29 120.13 1u1c s HIS 152 Ca -0.08 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 1u1c s HIS 152 Cb -0.15 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.08 1u1c s HIS 152 CO 0.05 -0.16 -0.17 0.08 -0.85 0.00 0.00 174.74 173.68 1u1c s VAL 153 N -0.22 2.50 -2.41 -0.90 1.01 -1.26 -1.78 120.40 117.33 1u1c s VAL 153 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1u1c s VAL 153 Cb -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1u1c s VAL 153 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1u1c n GLY 154 N 4.03 -0.65 3.79 4.51 0.00 -1.04 -4.98 105.19 110.84 1u1c n GLY 154 Ca -0.19 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 1u1c n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1c s VAL 155 N -3.94 4.88 -0.06 1.61 1.01 -1.26 -1.55 120.40 121.08 1u1c s VAL 155 Ca 0.00 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.15 1u1c s VAL 155 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1u1c s VAL 155 CO 0.00 0.50 -0.15 -0.89 0.00 0.00 0.00 175.10 174.56 1u1c s THR 156 N -0.68 2.96 -0.29 3.92 2.01 -0.90 -0.95 115.64 121.72 1u1c s THR 156 Ca 0.28 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.31 1u1c s THR 156 Cb -0.18 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1u1c s THR 156 CO 0.17 0.58 0.73 0.00 -0.69 0.00 0.00 174.62 175.40 1u1c s ALA 157 N -0.48 3.56 -0.37 7.40 0.00 0.19 0.24 121.76 132.31 1u1c s ALA 157 Ca 0.06 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 1u1c s ALA 157 Cb -0.12 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 19.86 1u1c s ALA 157 CO 0.02 -1.06 0.16 0.45 0.00 0.00 0.00 175.76 175.33 1u1c s SER 158 N 1.56 5.38 -0.06 0.00 0.15 -0.63 -1.89 113.70 118.21 1u1c s SER 158 Ca 0.30 -1.37 -0.02 0.00 0.70 0.00 0.00 55.95 55.56 1u1c s SER 158 Cb -0.15 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1u1c s SER 158 CO 0.11 -0.41 0.03 -0.55 1.20 0.00 0.00 173.24 173.61 1u1c s SER 159 N 1.67 5.40 0.00 5.45 0.15 -0.30 -1.45 113.70 124.62 1u1c s SER 159 Ca 0.01 0.15 0.23 0.00 0.70 0.00 0.00 55.95 57.05 1u1c s SER 159 Cb -0.21 -1.53 1.35 0.00 -1.71 0.00 0.00 66.02 63.91 1u1c s SER 159 CO 0.01 0.35 1.76 0.47 1.20 0.00 0.00 173.24 177.04 1u1c n ASP 160 N 1.87 0.00 -3.94 5.45 9.92 -0.54 -4.39 116.55 124.92 1u1c n ASP 160 Ca -0.17 -0.59 -0.11 0.00 -0.53 0.00 0.00 54.79 53.39 1u1c n ASP 160 Cb 0.53 -0.06 -0.13 0.00 -0.64 0.00 0.00 41.12 40.83 1u1c n ASP 160 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1u1c s THR 161 N -2.12 0.12 0.04 -3.53 2.01 -1.26 -5.02 115.64 105.89 1u1c s THR 161 Ca 0.32 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 1u1c s THR 161 Cb 0.16 -0.19 -0.29 0.00 0.01 0.00 0.00 72.50 72.19 1u1c s THR 161 CO 0.29 -0.23 1.02 0.15 -0.69 0.00 0.00 174.62 175.16 1u1c h PHE 162 N 5.39 0.55 0.00 4.92 3.57 -1.97 -3.38 116.94 126.02 1u1c h PHE 162 Ca -0.29 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 60.81 1u1c h PHE 162 Cb 1.21 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1u1c h PHE 162 CO 0.53 1.36 0.00 0.66 -2.23 0.00 0.00 178.31 178.63 1u1c n TYR 163 N -3.53 0.00 -0.20 0.41 4.02 -1.26 -4.26 117.16 112.34 1u1c n TYR 163 Ca -0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.75 1u1c n TYR 163 Cb 1.04 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 40.55 1u1c n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1c h PRO 164 N 0.00 0.97 0.00 -0.72 0.13 -1.88 0.11 132.00 130.61 1u1c h PRO 164 Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1u1c h PRO 164 Cb 0.00 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 30.95 1u1c h PRO 164 CO 0.00 0.75 0.00 0.78 -0.23 0.00 0.00 178.00 179.30 1u1c h GLY 165 N 1.03 0.00 -1.31 1.56 0.00 -1.86 -0.89 103.07 101.61 1u1c h GLY 165 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1u1c h GLY 165 CO -0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.45 1u1c n GLN 166 N -2.48 2.88 -3.62 4.80 6.02 -0.94 -4.95 117.38 119.09 1u1c n GLN 166 Ca 0.01 -2.26 -0.21 0.00 -0.01 0.00 0.00 57.00 54.53 1u1c n GLN 166 Cb 0.22 -1.43 0.06 0.00 1.02 0.00 0.00 30.24 30.11 1u1c n GLN 166 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u1c n GLU 167 N 0.16 -5.83 -3.27 -1.09 1.02 -0.34 -4.93 120.64 106.36 1u1c n GLU 167 Ca 0.14 0.72 -0.39 0.00 -0.02 0.00 0.00 57.16 57.61 1u1c n GLU 167 Cb 0.56 -5.51 -0.06 0.00 -0.02 0.00 0.00 31.44 26.40 1u1c n GLU 167 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1u1c s ARG 168 N -5.85 4.25 -0.04 3.49 0.52 0.33 -4.96 118.95 116.68 1u1c s ARG 168 Ca 0.11 0.43 0.18 0.00 -0.52 0.00 0.00 55.73 55.93 1u1c s ARG 168 Cb -0.05 -3.51 -0.27 0.00 0.52 0.00 0.00 34.95 31.63 1u1c s ARG 168 CO 0.78 -0.03 0.36 0.66 0.02 0.00 0.00 175.30 177.09 1u1c n TYR 169 N 4.36 0.00 -1.26 -0.53 4.02 -1.26 -4.33 117.16 118.16 1u1c n TYR 169 Ca -0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.45 1u1c n TYR 169 Cb 0.51 -0.44 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 1u1c n TYR 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u1c n ASP 170 N -2.16 4.13 -4.08 7.72 2.03 -1.26 -4.06 116.55 118.87 1u1c n ASP 170 Ca -0.05 -2.65 -0.25 0.00 0.52 0.00 0.00 54.79 52.36 1u1c n ASP 170 Cb 0.52 -1.33 -0.08 0.00 -0.72 0.00 0.00 41.12 39.51 1u1c n ASP 170 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1u1c s THR 171 N 3.82 0.58 0.16 5.18 -4.23 -1.26 -5.02 115.64 114.86 1u1c s THR 171 Ca 0.52 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.87 1u1c s THR 171 Cb 0.14 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1u1c s THR 171 CO 0.01 0.00 1.74 0.22 -0.54 0.00 0.00 174.62 176.05 1u1c h TYR 172 N 1.85 0.17 0.11 3.99 5.03 -1.99 -3.14 116.97 122.99 1u1c h TYR 172 Ca -0.35 0.02 -0.30 0.00 2.58 0.00 0.00 58.73 60.68 1u1c h TYR 172 Cb 1.27 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.51 1u1c h TYR 172 CO 1.44 0.06 -1.54 0.66 -1.32 0.00 0.00 178.16 177.46 1u1c h SER 173 N 0.24 0.36 -0.06 -2.11 4.64 -1.97 -3.48 113.55 111.17 1u1c h SER 173 Ca 0.17 -0.51 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 1u1c h SER 173 Cb 0.17 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1u1c h SER 173 CO -0.20 1.42 -0.02 0.61 -0.87 0.00 0.00 176.83 177.78 1u1c n GLY 174 N 1.66 0.48 3.38 -0.77 0.00 -1.19 -5.02 105.19 103.73 1u1c n GLY 174 Ca -0.16 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 1u1c n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1c s ARG 175 N -0.94 1.39 -0.09 1.61 1.70 -1.26 -4.92 118.95 116.44 1u1c s ARG 175 Ca 0.00 -1.36 0.03 0.00 -0.47 0.00 0.00 55.73 53.93 1u1c s ARG 175 Cb 0.00 -1.81 0.01 0.00 -0.57 0.00 0.00 34.95 32.57 1u1c s ARG 175 CO 0.00 0.42 -0.18 0.08 -1.08 0.00 0.00 175.30 174.54 1u1c s VAL 176 N -1.21 1.63 0.59 4.99 1.01 -1.26 -4.90 120.40 121.25 1u1c s VAL 176 Ca 0.14 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 1u1c s VAL 176 Cb -0.09 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 1u1c s VAL 176 CO 0.07 0.46 0.76 0.55 0.00 0.00 0.00 175.10 176.94 1u1c n VAL 177 N 3.73 3.10 -0.23 2.92 3.14 -1.26 -4.59 118.33 125.13 1u1c n VAL 177 Ca -0.21 -0.50 0.04 0.00 -2.96 0.00 0.00 64.34 60.71 1u1c n VAL 177 Cb 0.52 -0.93 0.14 0.00 -1.06 0.00 0.00 33.84 32.51 1u1c n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1c h ARG 178 N 0.34 0.15 -0.83 1.45 2.43 -2.00 -1.34 114.38 114.59 1u1c h ARG 178 Ca -0.47 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 58.82 1u1c h ARG 178 Cb 1.38 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.84 1u1c h ARG 178 CO 0.49 0.10 0.54 1.25 -1.51 0.00 0.00 179.97 180.84 1u1c h HIS 179 N 0.16 0.70 -0.03 2.20 2.76 -2.02 -2.20 115.15 116.72 1u1c h HIS 179 Ca 0.38 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1u1c h HIS 179 Cb 0.65 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1u1c h HIS 179 CO -0.35 0.28 0.00 1.19 -1.30 0.00 0.00 177.93 177.75 1u1c n PHE 180 N -4.52 0.00 -2.17 5.26 3.01 -0.57 -4.79 117.46 113.68 1u1c n PHE 180 Ca 0.16 -0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.19 1u1c n PHE 180 Cb 0.46 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.91 1u1c n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1c s LYS 181 N -1.82 4.08 -0.17 -1.08 -0.14 -0.83 -2.30 119.74 117.47 1u1c s LYS 181 Ca 0.26 1.85 0.00 0.00 -1.36 0.00 0.00 55.97 56.72 1u1c s LYS 181 Cb 0.18 -3.93 0.00 0.00 -1.68 0.00 0.00 37.83 32.40 1u1c s LYS 181 CO 0.27 -0.94 0.00 0.41 -0.76 0.00 0.00 175.35 174.34 1u1c n GLY 182 N 4.13 0.53 0.19 -3.33 0.00 -1.26 -4.96 105.19 100.49 1u1c n GLY 182 Ca 0.17 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 1u1c n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1c h SER 183 N 0.00 0.80 -0.49 1.61 4.64 -1.76 -3.14 113.55 115.20 1u1c h SER 183 Ca -0.03 -0.62 0.04 0.00 -0.47 0.00 0.00 61.79 60.71 1u1c h SER 183 Cb 0.16 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 1u1c h SER 183 CO 0.05 1.41 0.26 -0.03 -0.87 0.00 0.00 176.83 177.65 1u1c h MET 184 N 0.37 0.49 -0.98 4.77 -1.53 -1.92 -0.91 114.93 115.21 1u1c h MET 184 Ca -0.10 -0.03 0.03 0.00 -3.44 0.00 0.00 59.70 56.16 1u1c h MET 184 Cb 1.61 -0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 32.49 1u1c h MET 184 CO 0.18 0.33 0.64 1.49 0.14 0.00 0.00 176.91 179.69 1u1c h GLU 185 N 0.51 1.22 -0.32 0.39 4.81 -1.98 0.78 114.58 119.98 1u1c h GLU 185 Ca 0.21 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1u1c h GLU 185 Cb 0.10 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1u1c h GLU 185 CO -0.14 0.80 0.09 0.93 -0.73 0.00 0.00 179.01 179.97 1u1c h GLU 186 N 1.25 0.51 -0.71 1.92 4.39 -1.35 -1.86 114.58 118.72 1u1c h GLU 186 Ca 0.39 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1u1c h GLU 186 Cb -0.02 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1u1c h GLU 186 CO -0.11 0.56 0.31 -1.49 -1.16 0.00 0.00 179.01 177.11 1u1c h TRP 187 N 0.36 1.05 -0.19 4.33 -0.00 -0.75 -2.20 115.95 118.55 1u1c h TRP 187 Ca 0.10 -0.06 0.01 0.00 -0.00 0.00 0.00 58.89 58.94 1u1c h TRP 187 Cb 0.27 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.09 1u1c h TRP 187 CO 0.01 0.78 0.11 1.96 -0.00 0.00 0.00 178.44 181.31 1u1c h GLN 188 N 1.03 0.23 0.00 0.49 4.20 -0.66 -1.42 115.11 118.98 1u1c h GLN 188 Ca 0.24 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1u1c h GLN 188 Cb 0.16 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1u1c h GLN 188 CO -0.03 0.15 -0.15 0.00 -0.67 0.00 0.00 178.83 178.14 1u1c h ALA 189 N 1.08 1.25 -0.01 3.87 0.00 -1.16 -2.17 119.26 122.12 1u1c h ALA 189 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u1c h ALA 189 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1u1c h ALA 189 CO -0.03 0.19 -0.05 -1.33 0.00 0.00 0.00 179.25 178.03 1u1c n MET 190 N -3.63 1.26 -0.79 0.00 2.81 -0.84 -4.93 117.12 110.99 1u1c n MET 190 Ca -0.01 -0.58 0.00 0.00 -1.81 0.00 0.00 57.70 55.30 1u1c n MET 190 Cb 0.28 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1u1c n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1c n GLY 191 N 1.18 0.58 3.73 3.03 0.00 -0.82 -5.02 105.19 107.86 1u1c n GLY 191 Ca 0.18 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1u1c n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1c s VAL 192 N -2.00 2.45 0.03 1.61 1.01 -0.58 -4.62 120.40 118.30 1u1c s VAL 192 Ca 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 1u1c s VAL 192 Cb 0.00 -3.22 -0.34 0.00 0.00 0.00 0.00 36.38 32.82 1u1c s VAL 192 CO 0.00 0.04 1.02 0.24 0.00 0.00 0.00 175.10 176.39 1u1c h MET 193 N 6.22 0.56 -2.75 2.72 0.00 -1.37 -3.41 114.93 116.89 1u1c h MET 193 Ca -0.44 -0.90 0.10 0.00 0.00 0.00 0.00 59.70 58.46 1u1c h MET 193 Cb 1.21 0.33 -0.07 0.00 0.00 0.00 0.00 31.60 33.06 1u1c h MET 193 CO 0.88 1.43 0.32 0.54 0.00 0.00 0.00 176.91 180.08 1u1c s ASN 194 N -7.53 -0.26 -0.10 1.22 6.03 -1.26 -0.81 114.94 112.23 1u1c s ASN 194 Ca -0.09 -0.46 0.01 0.00 -1.03 0.00 0.00 52.86 51.28 1u1c s ASN 194 Cb 0.04 0.62 -0.02 0.00 -3.03 0.00 0.00 41.25 38.86 1u1c s ASN 194 CO 0.94 -1.14 -0.12 -0.31 -2.03 0.00 0.00 177.10 174.45 1u1c s TYR 195 N -3.66 2.82 0.11 1.54 1.51 -0.47 -0.63 117.35 118.56 1u1c s TYR 195 Ca 0.10 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1u1c s TYR 195 Cb -0.04 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1u1c s TYR 195 CO 0.03 0.02 0.16 -0.85 -1.11 0.00 0.00 175.55 173.80 1u1c n GLU 196 N 2.93 0.24 -0.00 -0.62 -0.00 -0.79 -2.67 120.64 119.73 1u1c n GLU 196 Ca -0.18 -0.86 0.00 0.00 -0.00 0.00 0.00 57.16 56.12 1u1c n GLU 196 Cb 0.53 0.85 0.00 0.00 -0.00 0.00 0.00 31.44 32.82 1u1c n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1c n MET 197 N -0.18 1.80 0.00 3.44 2.81 -1.26 -1.15 117.12 122.58 1u1c n MET 197 Ca -0.00 -1.10 0.00 0.00 -1.81 0.00 0.00 57.70 54.78 1u1c n MET 197 Cb 0.19 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 1u1c n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1c n GLU 198 N -0.30 3.58 -0.18 0.03 4.71 -1.26 -3.25 120.64 123.96 1u1c n GLU 198 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 1u1c n GLU 198 Cb 0.35 -0.70 0.01 0.00 -1.01 0.00 0.00 31.44 30.09 1u1c n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1c h SER 199 N 0.00 0.83 -0.35 1.62 4.64 -1.95 -2.49 113.55 115.86 1u1c h SER 199 Ca 0.00 -0.27 0.04 0.00 -0.47 0.00 0.00 61.79 61.09 1u1c h SER 199 Cb 0.00 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.83 1u1c h SER 199 CO 0.00 0.90 0.10 0.00 -0.87 0.00 0.00 176.83 176.96 1u1c h ALA 200 N 0.96 0.39 0.26 5.18 0.00 -1.88 0.14 119.26 124.32 1u1c h ALA 200 Ca 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1u1c h ALA 200 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1u1c h ALA 200 CO 0.01 -0.30 -0.13 1.15 0.00 0.00 0.00 179.25 179.99 1u1c h THR 201 N 0.24 0.78 -0.03 0.00 2.02 -1.92 -1.58 112.91 112.43 1u1c h THR 201 Ca 0.16 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1u1c h THR 201 Cb 0.15 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1u1c h THR 201 CO -0.18 0.05 -0.16 0.25 0.37 0.00 0.00 175.52 175.85 1u1c h LEU 202 N -0.47 -0.48 -0.69 2.58 5.85 -1.21 -0.69 115.31 120.20 1u1c h LEU 202 Ca -0.04 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1u1c h LEU 202 Cb 0.36 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1u1c h LEU 202 CO 0.06 -0.22 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.64 1u1c h LEU 203 N -0.25 0.78 -0.09 2.25 3.38 -0.77 -1.89 115.31 118.72 1u1c h LEU 203 Ca 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1u1c h LEU 203 Cb 0.34 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1u1c h LEU 203 CO -0.17 0.99 -0.04 0.74 0.09 0.00 0.00 178.44 180.04 1u1c h THR 204 N 0.67 1.31 0.00 0.22 2.02 -1.16 -1.95 112.91 114.03 1u1c h THR 204 Ca 0.09 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 1u1c h THR 204 Cb 0.73 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 1u1c h THR 204 CO 0.06 0.29 -0.38 0.00 0.37 0.00 0.00 175.52 175.86 1u1c h MET 205 N -0.16 0.00 0.12 6.66 -0.00 -1.07 -2.16 114.93 118.32 1u1c h MET 205 Ca 0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.55 1u1c h MET 205 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.09 1u1c h MET 205 CO 0.01 0.38 -0.81 0.00 -0.00 0.00 0.00 176.91 176.49 1u1c h ALA 207 N 0.04 1.06 -0.33 0.00 0.00 -1.33 0.70 119.26 119.40 1u1c h ALA 207 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u1c h ALA 207 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1u1c h ALA 207 CO 0.11 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 1u1c n SER 208 N -3.27 3.41 0.00 0.00 3.41 -0.82 -4.32 113.62 112.04 1u1c n SER 208 Ca -0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1u1c n SER 208 Cb 0.29 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1u1c n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1c n GLN 209 N 1.49 1.23 -1.23 4.33 6.02 -1.04 -5.02 117.38 123.15 1u1c n GLN 209 Ca 0.19 -0.91 -0.03 0.00 -0.01 0.00 0.00 57.00 56.24 1u1c n GLN 209 Cb 0.61 -0.71 -0.01 0.00 1.02 0.00 0.00 30.24 31.15 1u1c n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1c n GLY 210 N -0.21 0.55 3.80 1.08 0.00 -0.93 -5.04 105.19 104.44 1u1c n GLY 210 Ca 0.00 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1u1c n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1c s LEU 211 N -0.69 3.96 -0.11 0.99 1.43 0.19 -5.04 118.68 119.42 1u1c s LEU 211 Ca 0.00 0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.10 1u1c s LEU 211 Cb 0.00 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1u1c s LEU 211 CO 0.00 0.29 0.51 -0.13 0.23 0.00 0.00 176.35 177.25 1u1c s ARG 212 N -1.66 4.35 0.00 1.70 0.52 -0.67 -3.86 118.95 119.34 1u1c s ARG 212 Ca 0.22 0.52 0.02 0.00 -0.52 0.00 0.00 55.73 55.97 1u1c s ARG 212 Cb -0.12 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 1u1c s ARG 212 CO 0.13 0.15 -0.06 0.00 0.02 0.00 0.00 175.30 175.54 1u1c s ALA 213 N 0.61 0.52 0.11 2.13 0.00 -1.26 0.11 121.76 123.99 1u1c s ALA 213 Ca 0.28 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 51.94 1u1c s ALA 213 Cb -0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1u1c s ALA 213 CO 0.12 0.10 -0.14 0.20 0.00 0.00 0.00 175.76 176.03 1u1c s GLY 214 N -0.40 1.04 -0.05 0.00 0.00 0.10 -0.93 107.32 107.08 1u1c s GLY 214 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.48 1u1c s GLY 214 CO -0.00 -1.28 0.02 -0.29 0.00 0.00 0.00 173.10 171.55 1u1c s MET 215 N -2.46 0.35 0.02 2.90 1.75 -1.26 -0.16 119.30 120.45 1u1c s MET 215 Ca 0.07 0.18 0.02 0.00 -1.25 0.00 0.00 55.69 54.71 1u1c s MET 215 Cb -0.06 -0.75 -0.02 0.00 2.84 0.00 0.00 34.83 36.84 1u1c s MET 215 CO 0.03 -0.28 -0.07 0.54 -0.65 0.00 0.00 175.02 174.58 1u1c s VAL 216 N 1.87 0.54 -0.04 10.11 0.11 0.30 -1.80 120.40 131.50 1u1c s VAL 216 Ca 0.03 -0.74 -0.12 0.00 -2.93 0.00 0.00 61.98 58.22 1u1c s VAL 216 Cb -0.12 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1u1c s VAL 216 CO -0.04 -0.15 0.27 0.00 -3.33 0.00 0.00 175.10 171.85 1u1c s ALA 217 N -0.84 -0.67 -0.22 1.54 0.00 -0.34 -0.84 121.76 120.40 1u1c s ALA 217 Ca -0.04 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 1u1c s ALA 217 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1u1c s ALA 217 CO 0.00 -0.22 0.10 0.20 0.00 0.00 0.00 175.76 175.85 1u1c s GLY 218 N -0.94 1.92 -0.07 0.00 0.00 -0.96 -0.30 107.32 106.95 1u1c s GLY 218 Ca -0.10 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 43.46 1u1c s GLY 218 CO 0.03 0.26 1.20 -1.34 0.00 0.00 0.00 173.10 173.25 1u1c s VAL 219 N 0.83 4.27 -1.18 1.40 -7.23 -0.88 -2.61 120.40 115.00 1u1c s VAL 219 Ca 0.05 1.59 0.10 0.00 -1.81 0.00 0.00 61.98 61.90 1u1c s VAL 219 Cb -0.13 -4.02 0.08 0.00 0.56 0.00 0.00 36.38 32.87 1u1c s VAL 219 CO 0.02 -0.02 0.82 2.30 -0.31 0.00 0.00 175.10 177.91 1u1c n ILE 220 N 4.72 0.03 -3.65 -0.62 -5.35 -0.96 -1.38 119.36 112.15 1u1c n ILE 220 Ca 0.11 -0.52 -0.14 0.00 -0.27 0.00 0.00 62.75 61.94 1u1c n ILE 220 Cb 0.46 1.18 -0.08 0.00 -1.74 0.00 0.00 39.64 39.46 1u1c n ILE 220 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1u1c s VAL 221 N -0.80 0.00 -0.21 7.28 1.01 -1.25 -4.32 120.40 122.11 1u1c s VAL 221 Ca 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1u1c s VAL 221 Cb 0.08 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 1u1c s VAL 221 CO 0.12 -0.00 -0.09 0.21 0.00 0.00 0.00 175.10 175.34 1u1c s ASN 222 N 0.33 3.97 0.52 3.32 3.84 -1.26 -0.56 114.94 125.10 1u1c s ASN 222 Ca -0.00 -0.46 0.26 0.00 0.21 0.00 0.00 52.86 52.87 1u1c s ASN 222 Cb -0.05 -1.66 1.41 0.00 -0.55 0.00 0.00 41.25 40.41 1u1c s ASN 222 CO 0.01 -0.01 2.07 0.03 -2.79 0.00 0.00 177.10 176.41 1u1c h ARG 223 N 8.00 0.00 0.00 0.43 2.47 -0.95 0.32 114.38 124.65 1u1c h ARG 223 Ca -0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1u1c h ARG 223 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1u1c h ARG 223 CO 0.61 0.12 -0.12 0.25 0.56 0.00 0.00 179.97 181.39 1u1c n THR 224 N -3.70 0.11 -0.04 2.04 -2.24 -1.26 -4.23 114.28 104.95 1u1c n THR 224 Ca -0.02 -0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 1u1c n THR 224 Cb 0.24 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1u1c n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1c n GLN 225 N -1.65 0.91 -3.84 -0.78 6.02 -0.28 -5.11 117.38 112.66 1u1c n GLN 225 Ca 0.06 0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.99 1u1c n GLN 225 Cb 0.36 -1.17 0.01 0.00 1.02 0.00 0.00 30.24 30.46 1u1c n GLN 225 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1u1c s GLN 226 N -2.17 2.19 0.00 -1.09 0.00 0.97 -5.03 119.66 114.53 1u1c s GLN 226 Ca -0.09 -1.47 0.00 0.00 -0.00 0.00 0.00 55.36 53.80 1u1c s GLN 226 Cb 0.03 0.60 0.00 0.00 0.00 0.00 0.00 33.01 33.64 1u1c s GLN 226 CO 0.22 -1.01 0.00 -1.91 0.00 0.00 0.00 175.29 172.58 1u1c n GLU 227 N -0.53 0.00 -3.33 9.60 4.07 -1.26 -3.96 120.64 125.22 1u1c n GLU 227 Ca -0.07 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.64 1u1c n GLU 227 Cb 0.60 -0.87 -0.07 0.00 -0.06 0.00 0.00 31.44 31.04 1u1c n GLU 227 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1c s ILE 228 N -1.79 5.17 0.49 6.31 1.01 -1.26 -5.03 121.20 126.11 1u1c s ILE 228 Ca 0.00 0.82 -0.20 0.00 0.00 0.00 0.00 60.65 61.27 1u1c s ILE 228 Cb 0.00 -3.78 -0.08 0.00 0.01 0.00 0.00 42.46 38.61 1u1c s ILE 228 CO 0.00 0.24 1.06 -2.16 0.00 0.00 0.00 174.94 174.08 1u1c s PRO 229 N 1.30 3.72 -0.07 2.79 0.04 -1.26 -5.02 135.00 136.50 1u1c s PRO 229 Ca 0.22 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 1u1c s PRO 229 Cb -0.15 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1u1c s PRO 229 CO 0.09 -0.51 0.89 1.21 0.04 0.00 0.00 177.00 178.72 1u1c s ASN 230 N -1.91 7.17 0.35 6.66 2.47 -1.26 -4.97 114.94 123.44 1u1c s ASN 230 Ca 0.68 1.42 0.04 0.00 0.42 0.00 0.00 52.86 55.42 1u1c s ASN 230 Cb -0.18 -2.51 0.67 0.00 -1.45 0.00 0.00 41.25 37.79 1u1c s ASN 230 CO 0.22 -0.30 1.97 0.00 -3.72 0.00 0.00 177.10 175.27 1u1c h ALA 231 N 6.97 1.63 -0.11 1.71 0.00 -1.97 -1.36 119.26 126.13 1u1c h ALA 231 Ca -0.36 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1u1c h ALA 231 Cb 1.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1u1c h ALA 231 CO 0.79 0.28 -0.28 1.49 0.00 0.00 0.00 179.25 181.53 1u1c h GLU 232 N 0.83 0.38 -0.11 0.00 4.22 -2.01 -3.22 114.58 114.67 1u1c h GLU 232 Ca 0.30 -0.27 -0.07 0.00 0.08 0.00 0.00 59.36 59.41 1u1c h GLU 232 Cb 0.14 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1u1c h GLU 232 CO -0.09 0.88 -0.24 1.15 -2.18 0.00 0.00 179.01 178.53 1u1c h THR 233 N -0.05 1.22 -0.27 0.32 2.02 -1.92 -2.87 112.91 111.35 1u1c h THR 233 Ca -0.00 -1.02 0.04 0.00 0.77 0.00 0.00 66.41 66.19 1u1c h THR 233 Cb 0.89 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1u1c h THR 233 CO 0.06 0.31 0.05 0.24 0.37 0.00 0.00 175.52 176.55 1u1c h MET 234 N 0.17 0.14 -0.48 6.66 2.86 -1.28 -0.26 114.93 122.75 1u1c h MET 234 Ca 0.03 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 1u1c h MET 234 Cb 0.52 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1u1c h MET 234 CO 0.04 0.10 -0.11 0.87 1.06 0.00 0.00 176.91 178.86 1u1c h LYS 235 N 0.15 0.92 -0.47 1.72 6.56 -1.54 -1.52 116.57 122.39 1u1c h LYS 235 Ca 0.12 -0.35 -0.11 0.00 -1.06 0.00 0.00 60.65 59.26 1u1c h LYS 235 Cb 0.13 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 1u1c h LYS 235 CO -0.17 1.01 -0.13 0.37 -2.06 0.00 0.00 179.45 178.47 1u1c h GLN 236 N 0.77 0.88 -0.37 3.15 5.75 -1.37 -1.36 115.11 122.57 1u1c h GLN 236 Ca 0.12 -0.32 -0.10 0.00 -0.15 0.00 0.00 58.65 58.20 1u1c h GLN 236 Cb 0.66 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1u1c h GLN 236 CO 0.05 0.96 -0.17 1.15 -2.65 0.00 0.00 178.83 178.17 1u1c h THR 237 N 0.79 1.28 0.31 2.39 2.02 -0.98 -2.09 112.91 116.64 1u1c h THR 237 Ca 0.12 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1u1c h THR 237 Cb 0.66 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1u1c h THR 237 CO 0.05 0.43 -0.16 -0.08 0.37 0.00 0.00 175.52 176.13 1u1c h GLU 238 N 0.55 -0.41 -0.76 6.66 4.81 -1.17 0.56 114.58 124.82 1u1c h GLU 238 Ca 0.08 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.47 1u1c h GLU 238 Cb 0.72 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.10 1u1c h GLU 238 CO 0.05 -0.28 0.34 0.77 -0.73 0.00 0.00 179.01 179.16 1u1c h SER 239 N -0.43 0.36 -0.72 1.04 0.02 -1.27 0.35 113.55 112.89 1u1c h SER 239 Ca -0.04 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1u1c h SER 239 Cb 0.34 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1u1c h SER 239 CO 0.06 0.16 0.34 -0.74 -1.14 0.00 0.00 176.83 175.51 1u1c h HIS 240 N 0.51 1.05 -0.18 3.45 -0.00 -1.08 -2.84 115.15 116.06 1u1c h HIS 240 Ca 0.41 -0.06 -0.18 0.00 -0.00 0.00 0.00 60.37 60.55 1u1c h HIS 240 Cb 0.58 -0.32 0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1u1c h HIS 240 CO -0.14 0.78 -0.57 0.00 -0.00 0.00 0.00 177.93 178.00 1u1c h ALA 241 N 1.16 0.31 -0.93 5.26 0.00 0.41 -3.17 119.26 122.31 1u1c h ALA 241 Ca 0.25 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1u1c h ALA 241 Cb 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1u1c h ALA 241 CO -0.03 0.54 0.60 0.28 0.00 0.00 0.00 179.25 180.65 1u1c h VAL 242 N 0.41 1.06 -0.23 0.00 2.07 -0.33 -2.01 116.25 117.23 1u1c h VAL 242 Ca -0.02 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 1u1c h VAL 242 Cb 1.20 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1u1c h VAL 242 CO 0.12 0.19 -0.31 0.11 0.02 0.00 0.00 177.57 177.71 1u1c h LYS 243 N 1.05 0.47 -0.28 1.57 1.57 -1.53 -2.74 116.57 116.68 1u1c h LYS 243 Ca 0.40 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 1u1c h LYS 243 Cb 0.21 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1u1c h LYS 243 CO -0.16 0.72 -0.47 0.82 -0.57 0.00 0.00 179.45 179.80 1u1c h ILE 244 N 0.40 1.29 0.00 1.86 2.04 -1.36 -2.43 117.51 119.31 1u1c h ILE 244 Ca 0.05 -1.66 -0.12 0.00 1.00 0.00 0.00 64.86 64.13 1u1c h ILE 244 Cb 0.74 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1u1c h ILE 244 CO 0.06 0.54 -0.57 1.62 0.00 0.00 0.00 178.15 179.79 1u1c h VAL 245 N 0.59 1.35 -0.14 1.67 3.04 -1.40 -0.28 116.25 121.08 1u1c h VAL 245 Ca 0.02 -2.01 -0.23 0.00 -1.01 0.00 0.00 66.70 63.47 1u1c h VAL 245 Cb 1.08 2.10 0.01 0.00 -2.01 0.00 0.00 31.29 32.47 1u1c h VAL 245 CO 0.11 0.56 -0.80 0.58 -1.01 0.00 0.00 177.57 177.01 1u1c h VAL 246 N 0.00 1.28 -0.21 1.51 2.07 -1.52 -2.31 116.25 117.07 1u1c h VAL 246 Ca -0.01 -2.00 -0.11 0.00 0.82 0.00 0.00 66.70 65.40 1u1c h VAL 246 Cb 1.06 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1u1c h VAL 246 CO 0.07 0.63 -0.36 -0.08 0.02 0.00 0.00 177.57 177.86 1u1c h GLU 247 N 0.52 0.44 -0.30 1.57 4.57 -1.27 -1.94 114.58 118.19 1u1c h GLU 247 Ca -0.06 -0.20 -0.12 0.00 -1.18 0.00 0.00 59.36 57.80 1u1c h GLU 247 Cb 1.44 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.00 1u1c h GLU 247 CO 0.16 0.74 -0.31 0.00 -1.18 0.00 0.00 179.01 178.43 1u1c h ALA 248 N 1.24 0.91 -0.16 2.92 0.00 -1.07 -2.87 119.26 120.23 1u1c h ALA 248 Ca 0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1u1c h ALA 248 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1u1c h ALA 248 CO 0.06 0.62 -0.15 0.00 0.00 0.00 0.00 179.25 179.78 1u1c h ALA 249 N 1.13 1.44 -0.64 0.00 0.00 -1.08 -2.62 119.26 117.49 1u1c h ALA 249 Ca 0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1u1c h ALA 249 Cb 0.79 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1u1c h ALA 249 CO 0.06 0.39 0.29 0.00 0.00 0.00 0.00 179.25 180.00 1u1c h ARG 250 N 0.25 0.91 -0.01 0.00 3.08 -1.13 -2.90 114.38 114.59 1u1c h ARG 250 Ca 0.05 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1u1c h ARG 250 Cb 0.43 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1u1c h ARG 250 CO 0.03 0.72 -0.09 0.54 -1.07 0.00 0.00 179.97 180.09 1u1c n ARG 251 N -4.34 0.93 0.00 0.04 1.74 -1.00 -3.69 116.66 110.34 1u1c n ARG 251 Ca 0.06 -0.37 0.04 0.00 -0.77 0.00 0.00 57.85 56.81 1u1c n ARG 251 Cb 0.14 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 1u1c n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1u1c n LEU 252 N -0.72 0.77 0.00 0.55 4.77 -1.11 -5.03 117.00 116.23 1u1c n LEU 252 Ca 0.16 -0.63 0.10 0.00 -0.03 0.00 0.00 56.01 55.62 1u1c n LEU 252 Cb 0.28 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.99 1u1c n LEU 252 CO 0.22 0.17 0.81 0.18 -1.33 0.00 0.00 177.39 177.43