#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1d n ASP 5 N 0.00 0.75 -4.48 4.04 10.43 -0.72 -4.95 116.55 121.62 1u1d n ASP 5 Ca 0.00 -0.58 -0.25 0.00 2.57 0.00 0.00 54.79 56.53 1u1d n ASP 5 Cb 0.00 0.51 -0.10 0.00 1.84 0.00 0.00 41.12 43.37 1u1d n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1u1d s VAL 6 N -2.96 2.57 0.16 2.53 -7.23 -1.23 -5.06 120.40 109.18 1u1d s VAL 6 Ca 0.11 -2.26 0.12 0.00 -1.81 0.00 0.00 61.98 58.14 1u1d s VAL 6 Cb 0.17 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 1u1d s VAL 6 CO 0.74 -0.33 1.55 -0.26 -0.31 0.00 0.00 175.10 176.49 1u1d h PHE 7 N 2.43 0.00 0.00 2.82 0.05 -1.95 -3.39 116.94 116.91 1u1d h PHE 7 Ca -0.42 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.37 1u1d h PHE 7 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.20 1u1d h PHE 7 CO 0.77 0.63 -0.83 0.72 -0.18 0.00 0.00 178.31 179.42 1u1d n HIS 8 N -3.56 0.00 0.20 -0.55 8.25 -1.26 -4.83 115.22 113.47 1u1d n HIS 8 Ca -0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1u1d n HIS 8 Cb 0.68 0.06 0.41 0.00 1.12 0.00 0.00 29.99 32.25 1u1d n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1d h LEU 9 N 0.00 0.00 -1.26 2.41 3.38 -1.91 -3.44 115.31 114.48 1u1d h LEU 9 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1u1d h LEU 9 Cb 0.83 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.64 1u1d h LEU 9 CO 0.00 0.34 -0.26 0.61 0.09 0.00 0.00 178.44 179.21 1u1d n GLY 10 N -0.43 0.31 3.20 0.83 0.00 -1.26 -4.68 105.19 103.16 1u1d n GLY 10 Ca -0.02 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1u1d n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1d s LEU 11 N -3.44 2.29 0.41 0.99 1.43 -1.26 -4.78 118.68 114.31 1u1d s LEU 11 Ca 0.14 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1u1d s LEU 11 Cb -0.06 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.56 1u1d s LEU 11 CO 0.27 -0.05 0.55 0.42 0.23 0.00 0.00 176.35 177.77 1u1d s THR 12 N -1.32 3.15 0.39 5.49 -4.23 -1.26 -1.76 115.64 116.11 1u1d s THR 12 Ca 0.01 -1.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.60 1u1d s THR 12 Cb -0.10 -3.06 0.19 0.00 1.34 0.00 0.00 72.50 70.87 1u1d s THR 12 CO 0.03 -0.02 1.95 0.50 -0.54 0.00 0.00 174.62 176.54 1u1d h LYS 13 N 0.69 0.32 -0.10 3.99 3.64 -1.96 -2.89 116.57 120.26 1u1d h LYS 13 Ca -0.41 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 58.80 1u1d h LYS 13 Cb 1.28 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1u1d h LYS 13 CO 0.46 0.37 -0.45 -0.97 -2.27 0.00 0.00 179.45 176.60 1u1d h ASN 14 N 0.31 0.25 -0.09 4.20 -0.00 -1.95 -3.13 115.58 115.18 1u1d h ASN 14 Ca 0.07 -0.11 0.03 0.00 -0.00 0.00 0.00 56.30 56.28 1u1d h ASN 14 Cb 0.25 -0.07 -0.00 0.00 -0.00 0.00 0.00 38.32 38.50 1u1d h ASN 14 CO 0.01 0.67 0.06 0.44 -0.00 0.00 0.00 177.43 178.61 1u1d h ASP 15 N 0.20 0.00 0.80 1.15 3.45 -1.90 -2.24 116.42 117.88 1u1d h ASP 15 Ca 0.01 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.28 1u1d h ASP 15 Cb 0.87 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.62 1u1d h ASP 15 CO 0.07 0.00 -0.90 -0.07 -1.57 0.00 0.00 179.24 176.77 1u1d h LEU 16 N 0.00 0.08 -1.10 1.55 4.07 -1.65 -3.49 115.31 114.77 1u1d h LEU 16 Ca 0.04 -0.07 -0.37 0.00 0.08 0.00 0.00 57.88 57.57 1u1d h LEU 16 Cb 0.17 -0.02 0.14 0.00 1.08 0.00 0.00 40.66 42.03 1u1d h LEU 16 CO -0.00 0.93 -0.68 0.00 -1.08 0.00 0.00 178.44 177.61 1u1d n GLN 17 N -3.53 -7.34 -1.02 1.13 6.02 -0.84 -3.03 117.38 108.77 1u1d n GLN 17 Ca -0.01 0.81 -0.01 0.00 -0.01 0.00 0.00 57.00 57.78 1u1d n GLN 17 Cb 0.84 -5.77 -0.00 0.00 1.02 0.00 0.00 30.24 26.33 1u1d n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1d n GLY 18 N -1.71 0.46 3.77 1.08 0.00 -1.26 -4.82 105.19 102.70 1u1d n GLY 18 Ca -0.08 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1u1d n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d s ALA 19 N -2.02 3.46 0.00 4.61 0.00 -1.17 -4.94 121.76 121.70 1u1d s ALA 19 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1u1d s ALA 19 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1u1d s ALA 19 CO 0.00 -0.60 0.00 0.25 0.00 0.00 0.00 175.76 175.41 1u1d n THR 20 N 0.77 0.00 -4.55 0.00 -2.24 -1.26 -4.21 114.28 102.79 1u1d n THR 20 Ca 0.00 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 1u1d n THR 20 Cb 0.42 0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 69.15 1u1d n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1d s LEU 21 N -2.72 3.20 -0.04 3.22 0.20 -1.26 -0.08 118.68 121.20 1u1d s LEU 21 Ca 0.00 -0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.77 1u1d s LEU 21 Cb 0.00 -1.75 0.03 0.00 -0.43 0.00 0.00 46.19 44.04 1u1d s LEU 21 CO 0.00 0.34 -0.00 0.00 -0.29 0.00 0.00 176.35 176.39 1u1d s ALA 22 N -0.88 0.41 -0.15 5.97 0.00 0.44 -2.49 121.76 125.06 1u1d s ALA 22 Ca 0.14 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.97 1u1d s ALA 22 Cb -0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1u1d s ALA 22 CO 0.04 -0.13 0.72 0.42 0.00 0.00 0.00 175.76 176.80 1u1d s ILE 23 N 1.18 4.98 -0.50 0.00 1.01 -0.14 -0.88 121.20 126.86 1u1d s ILE 23 Ca -0.07 1.41 0.03 0.00 0.00 0.00 0.00 60.65 62.02 1u1d s ILE 23 Cb -0.13 -4.04 0.13 0.00 0.01 0.00 0.00 42.46 38.43 1u1d s ILE 23 CO -0.02 0.12 0.24 0.68 0.00 0.00 0.00 174.94 175.96 1u1d s VAL 24 N 1.69 2.68 0.61 2.92 -7.23 0.99 -1.91 120.40 120.15 1u1d s VAL 24 Ca 0.34 -3.09 -0.09 0.00 -1.81 0.00 0.00 61.98 57.34 1u1d s VAL 24 Cb -0.17 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.90 1u1d s VAL 24 CO 0.13 -0.77 0.97 -2.16 -0.31 0.00 0.00 175.10 172.96 1u1d s PRO 25 N -0.03 3.21 -0.08 4.82 0.04 -1.25 -3.47 135.00 138.24 1u1d s PRO 25 Ca 0.16 0.37 -0.24 0.00 0.04 0.00 0.00 61.00 61.33 1u1d s PRO 25 Cb -0.24 -2.17 -0.29 0.00 0.04 0.00 0.00 34.50 31.84 1u1d s PRO 25 CO -0.02 -0.66 0.84 0.78 0.04 0.00 0.00 177.00 177.98 1u1d h GLY 26 N -0.27 0.22 -4.96 0.56 0.00 -1.83 -0.79 103.07 95.98 1u1d h GLY 26 Ca -0.45 -0.55 -0.57 0.00 0.00 0.00 0.00 47.33 45.76 1u1d h GLY 26 CO 0.62 0.48 0.76 -0.35 0.00 0.00 0.00 176.54 178.05 1u1d s ASP 27 N -6.70 7.08 0.61 0.19 -1.08 -1.26 -2.02 116.67 113.48 1u1d s ASP 27 Ca -0.16 1.59 0.38 0.00 -0.52 0.00 0.00 52.55 53.84 1u1d s ASP 27 Cb -0.00 -2.55 1.95 0.00 -1.46 0.00 0.00 42.92 40.86 1u1d s ASP 27 CO 0.78 -0.63 2.22 1.55 0.52 0.00 0.00 175.17 179.60 1u1d h PRO 28 N 7.59 0.00 -0.00 4.34 0.13 -1.88 -1.97 132.00 140.21 1u1d h PRO 28 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1u1d h PRO 28 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1u1d h PRO 28 CO 0.93 0.02 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.42 1u1d n ASP 29 N -3.24 0.35 0.00 1.44 8.00 -1.26 -3.43 116.55 118.42 1u1d n ASP 29 Ca -0.02 -0.69 0.10 0.00 0.71 0.00 0.00 54.79 54.90 1u1d n ASP 29 Cb 0.16 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 1u1d n ASP 29 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1u1d n ARG 30 N -0.92 0.11 -0.10 -1.24 0.63 -0.74 -4.44 116.66 109.95 1u1d n ARG 30 Ca 0.17 -0.03 -0.10 0.00 -0.92 0.00 0.00 57.85 56.97 1u1d n ARG 30 Cb 0.23 -1.51 -0.03 0.00 0.45 0.00 0.00 32.46 31.61 1u1d n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1u1d h VAL 31 N 0.00 1.19 -0.26 5.15 2.07 -1.62 -2.35 116.25 120.44 1u1d h VAL 31 Ca 0.00 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1u1d h VAL 31 Cb 0.59 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1u1d h VAL 31 CO 0.00 0.21 -0.03 -0.08 0.02 0.00 0.00 177.57 177.69 1u1d h GLU 32 N 0.34 0.40 -0.46 1.57 4.81 -1.80 -1.60 114.58 117.84 1u1d h GLU 32 Ca 0.10 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1u1d h GLU 32 Cb 0.22 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1u1d h GLU 32 CO -0.01 0.45 -0.11 0.87 -0.73 0.00 0.00 179.01 179.49 1u1d h LYS 33 N 0.38 0.89 -0.20 1.92 1.57 -1.72 -2.30 116.57 117.11 1u1d h LYS 33 Ca 0.08 -0.34 -0.21 0.00 -1.87 0.00 0.00 60.65 58.31 1u1d h LYS 33 Cb 0.31 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.57 1u1d h LYS 33 CO 0.01 0.98 -0.70 0.82 -0.57 0.00 0.00 179.45 180.00 1u1d h ILE 34 N 0.72 1.27 0.00 1.86 2.04 -1.23 -3.24 117.51 118.94 1u1d h ILE 34 Ca 0.12 -1.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.03 1u1d h ILE 34 Cb 0.66 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1u1d h ILE 34 CO 0.05 0.60 -0.29 0.00 0.00 0.00 0.00 178.15 178.51 1u1d h ALA 35 N 0.61 1.33 0.00 1.87 0.00 -1.29 -2.73 119.26 119.05 1u1d h ALA 35 Ca -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1u1d h ALA 35 Cb 1.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1u1d h ALA 35 CO 0.15 0.36 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 1u1d h ALA 36 N 1.71 1.00 0.00 0.00 0.00 -1.44 -2.91 119.26 117.63 1u1d h ALA 36 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u1d h ALA 36 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1u1d h ALA 36 CO 0.04 0.08 0.00 -0.07 0.00 0.00 0.00 179.25 179.30 1u1d h LEU 37 N 0.00 0.00-10.03 0.00 4.07 -1.56 -3.46 115.31 104.33 1u1d h LEU 37 Ca -0.00 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.46 1u1d h LEU 37 Cb 0.64 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.34 1u1d h LEU 37 CO 0.01 0.00 -0.45 -0.04 -1.08 0.00 0.00 178.44 176.87 1u1d s MET 38 N -3.32 2.77 0.28 1.13 -1.94 -1.10 -5.10 119.30 112.02 1u1d s MET 38 Ca 0.06 -1.25 -0.29 0.00 -1.71 0.00 0.00 55.69 52.50 1u1d s MET 38 Cb 0.07 -2.50 -0.09 0.00 2.01 0.00 0.00 34.83 34.31 1u1d s MET 38 CO 0.62 0.14 1.08 -0.51 -0.01 0.00 0.00 175.02 176.34 1u1d s ASP 39 N -3.98 7.28 -0.53 3.03 1.01 -0.37 -4.43 116.67 118.67 1u1d s ASP 39 Ca 0.40 2.23 -0.21 0.00 0.71 0.00 0.00 52.55 55.68 1u1d s ASP 39 Cb -0.06 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.27 1u1d s ASP 39 CO 0.26 -0.13 0.64 0.29 0.21 0.00 0.00 175.17 176.44 1u1d n LYS 40 N 1.15 -1.96 -3.12 8.23 5.02 -1.26 -0.29 118.16 125.92 1u1d n LYS 40 Ca -0.01 1.59 -0.39 0.00 -2.02 0.00 0.00 58.31 57.48 1u1d n LYS 40 Cb 0.45 -3.85 -0.05 0.00 -0.02 0.00 0.00 35.03 31.56 1u1d n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1d s PRO 41 N -2.93 4.39 -0.06 1.97 0.04 -1.26 -4.00 135.00 133.15 1u1d s PRO 41 Ca 0.23 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1u1d s PRO 41 Cb -0.04 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1u1d s PRO 41 CO 0.83 0.35 -0.03 0.08 0.04 0.00 0.00 177.00 178.26 1u1d s VAL 42 N -0.18 0.52 -0.10 -0.36 1.01 0.67 -4.98 120.40 116.98 1u1d s VAL 42 Ca 0.34 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1u1d s VAL 42 Cb -0.19 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1u1d s VAL 42 CO 0.20 0.24 1.32 -0.75 0.00 0.00 0.00 175.10 176.11 1u1d s LYS 43 N 1.26 4.26 -0.16 2.72 2.20 -1.26 -0.21 119.74 128.55 1u1d s LYS 43 Ca -0.06 1.78 -0.13 0.00 -0.36 0.00 0.00 55.97 57.21 1u1d s LYS 43 Cb -0.14 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1u1d s LYS 43 CO -0.02 -0.65 -0.24 1.28 -0.36 0.00 0.00 175.35 175.36 1u1d n LEU 44 N 6.20 1.86 -3.64 5.43 4.77 -0.55 -4.95 117.00 126.12 1u1d n LEU 44 Ca 0.14 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.48 1u1d n LEU 44 Cb 0.45 -0.82 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1u1d n LEU 44 CO 0.57 -0.39 0.23 0.00 -1.33 0.00 0.00 177.39 176.47 1u1d s ALA 45 N -2.80 -1.29 -0.23 -1.18 0.00 -1.20 -5.03 121.76 110.04 1u1d s ALA 45 Ca -0.20 0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 1u1d s ALA 45 Cb 0.03 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.18 1u1d s ALA 45 CO 0.30 -0.31 0.04 0.45 0.00 0.00 0.00 175.76 176.24 1u1d s SER 46 N -1.12 3.34 -0.05 0.00 0.15 -1.26 -0.82 113.70 113.93 1u1d s SER 46 Ca -0.11 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 55.47 1u1d s SER 46 Cb -0.03 -0.75 0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1u1d s SER 46 CO 0.07 -0.32 -0.06 -1.00 1.20 0.00 0.00 173.24 173.13 1u1d s HIS 47 N 1.73 0.91 0.00 3.44 3.76 -0.10 -5.00 115.29 120.02 1u1d s HIS 47 Ca 0.01 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 1u1d s HIS 47 Cb -0.17 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 32.74 1u1d s HIS 47 CO -0.12 -0.24 0.00 0.54 -0.85 0.00 0.00 174.74 174.07 1u1d n ARG 48 N 4.16 0.00 0.00 1.40 1.74 -1.26 -0.81 116.66 121.90 1u1d n ARG 48 Ca -0.22 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1u1d n ARG 48 Cb 0.51 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.03 1u1d n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1d n GLU 49 N 8.91 1.99 -3.33 5.56 0.00 -1.26 -4.90 120.64 127.62 1u1d n GLU 49 Ca 0.00 -1.76 -0.42 0.00 0.00 0.00 0.00 57.16 54.98 1u1d n GLU 49 Cb 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 31.44 29.93 1u1d n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1d s PHE 50 N -1.84 3.18 -0.16 -1.84 0.40 0.01 -4.48 117.98 113.25 1u1d s PHE 50 Ca 0.25 -0.27 -0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1u1d s PHE 50 Cb 0.18 -2.86 -0.00 0.00 0.51 0.00 0.00 43.02 40.85 1u1d s PHE 50 CO 0.29 -0.64 -0.14 0.99 0.70 0.00 0.00 175.22 176.41 1u1d s THR 51 N 2.14 2.77 -0.11 0.64 2.01 -1.26 -0.92 115.64 120.90 1u1d s THR 51 Ca 0.12 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1u1d s THR 51 Cb -0.17 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1u1d s THR 51 CO 0.13 0.51 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.49 1u1d s THR 52 N 0.83 2.53 -0.04 -0.82 2.01 0.00 -2.01 115.64 118.15 1u1d s THR 52 Ca -0.04 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.15 1u1d s THR 52 Cb -0.15 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1u1d s THR 52 CO -0.00 0.55 -0.18 0.26 -0.69 0.00 0.00 174.62 174.56 1u1d s TRP 53 N 0.26 1.71 -0.22 4.92 0.52 0.30 -1.48 118.94 124.95 1u1d s TRP 53 Ca -0.13 -0.46 -0.08 0.00 0.02 0.00 0.00 56.10 55.45 1u1d s TRP 53 Cb -0.16 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.97 1u1d s TRP 53 CO 0.07 -0.14 0.09 0.50 0.02 0.00 0.00 176.95 177.49 1u1d s ARG 54 N -0.07 3.87 0.37 4.98 3.52 0.71 -0.98 118.95 131.36 1u1d s ARG 54 Ca -0.01 -0.38 0.04 0.00 -0.13 0.00 0.00 55.73 55.24 1u1d s ARG 54 Cb -0.11 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1u1d s ARG 54 CO 0.02 0.04 0.13 0.00 -0.81 0.00 0.00 175.30 174.68 1u1d s ALA 55 N 1.03 2.59 -0.06 6.12 0.00 -0.26 -0.23 121.76 130.94 1u1d s ALA 55 Ca 0.05 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.54 1u1d s ALA 55 Cb -0.14 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1u1d s ALA 55 CO 0.03 -0.38 -0.18 -2.00 0.00 0.00 0.00 175.76 173.24 1u1d s GLU 56 N -3.76 2.02 -0.17 0.00 2.12 0.60 -0.18 118.70 119.33 1u1d s GLU 56 Ca 0.29 -0.63 -0.01 0.00 0.36 0.00 0.00 54.97 54.98 1u1d s GLU 56 Cb 0.04 -1.69 0.05 0.00 0.26 0.00 0.00 34.13 32.79 1u1d s GLU 56 CO 0.16 0.20 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.87 1u1d s LEU 57 N 0.20 1.60 -1.42 2.70 2.96 0.68 -1.24 118.68 124.15 1u1d s LEU 57 Ca -0.08 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.03 1u1d s LEU 57 Cb -0.14 -0.87 0.04 0.00 0.50 0.00 0.00 46.19 45.73 1u1d s LEU 57 CO 0.04 -0.21 0.99 0.47 -1.32 0.00 0.00 176.35 176.31 1u1d n ASP 58 N 4.89 -4.32 -0.65 3.68 9.92 -1.26 -2.11 116.55 126.70 1u1d n ASP 58 Ca -0.11 -0.71 -0.07 0.00 -0.53 0.00 0.00 54.79 53.36 1u1d n ASP 58 Cb 0.47 -4.31 -0.02 0.00 -0.64 0.00 0.00 41.12 36.62 1u1d n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u1d n GLY 59 N -1.71 0.68 2.88 0.44 0.00 -1.26 -5.03 105.19 101.18 1u1d n GLY 59 Ca -0.06 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 1u1d n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1d s LYS 60 N -3.16 0.55 0.14 1.61 1.02 -0.90 -5.13 119.74 113.87 1u1d s LYS 60 Ca 0.00 -0.05 -0.31 0.00 0.02 0.00 0.00 55.97 55.62 1u1d s LYS 60 Cb 0.00 -0.62 -0.09 0.00 -0.52 0.00 0.00 37.83 36.61 1u1d s LYS 60 CO 0.00 -0.06 1.48 -1.25 -0.92 0.00 0.00 175.35 174.60 1u1d s PRO 61 N 0.75 4.27 -0.03 -1.68 0.04 -1.26 -0.23 135.00 136.85 1u1d s PRO 61 Ca -0.09 2.21 0.04 0.00 0.04 0.00 0.00 61.00 63.20 1u1d s PRO 61 Cb -0.12 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 1u1d s PRO 61 CO -0.01 -0.53 -0.15 0.08 0.04 0.00 0.00 177.00 176.44 1u1d s VAL 62 N 1.18 1.22 -0.15 -0.36 1.01 0.75 -4.47 120.40 119.58 1u1d s VAL 62 Ca 0.67 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 1u1d s VAL 62 Cb -0.40 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1u1d s VAL 62 CO 0.31 0.36 0.14 -0.63 0.00 0.00 0.00 175.10 175.27 1u1d s ILE 63 N 0.01 5.47 -0.21 2.22 -1.09 -1.04 -1.11 121.20 125.45 1u1d s ILE 63 Ca -0.02 0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.60 1u1d s ILE 63 Cb -0.10 -3.43 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1u1d s ILE 63 CO 0.01 0.55 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.48 1u1d s VAL 64 N -0.50 2.80 -0.05 2.92 1.01 -0.15 -0.96 120.40 125.46 1u1d s VAL 64 Ca 0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1u1d s VAL 64 Cb -0.12 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1u1d s VAL 64 CO 0.02 0.44 0.02 0.00 0.00 0.00 0.00 175.10 175.58 1u1d s SER 66 N 1.78 7.12 -0.14 0.00 1.04 -0.85 -3.78 113.70 118.86 1u1d s SER 66 Ca 0.01 2.37 0.17 0.00 0.48 0.00 0.00 55.95 58.98 1u1d s SER 66 Cb -0.13 -2.63 -0.24 0.00 0.10 0.00 0.00 66.02 63.12 1u1d s SER 66 CO -0.04 -0.28 0.27 0.35 0.98 0.00 0.00 173.24 174.52 1u1d n THR 67 N 1.32 1.38 0.00 2.02 -2.24 -0.30 -4.36 114.28 112.10 1u1d n THR 67 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1u1d n THR 67 Cb 0.44 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1u1d n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1d n GLY 68 N 1.67 -0.55 3.70 3.38 0.00 -0.86 -3.59 105.19 108.94 1u1d n GLY 68 Ca -0.27 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1u1d n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1d s ILE 69 N -1.05 4.87 0.00 -0.61 1.01 -1.26 -4.67 121.20 119.49 1u1d s ILE 69 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 60.65 62.61 1u1d s ILE 69 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1u1d s ILE 69 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1u1d n GLY 70 N 3.00 0.99 0.23 6.18 0.00 -1.23 -4.72 105.19 109.63 1u1d n GLY 70 Ca 0.06 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 1u1d n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1d h GLY 71 N 0.00 0.80 0.04 -0.02 0.00 -1.88 -3.02 103.07 98.99 1u1d h GLY 71 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 47.33 46.88 1u1d h GLY 71 CO 0.00 0.49 -0.23 -2.55 0.00 0.00 0.00 176.54 174.25 1u1d h PRO 72 N 0.61 -0.18 0.00 4.80 0.11 -1.95 0.73 132.00 136.12 1u1d h PRO 72 Ca 0.14 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.09 1u1d h PRO 72 Cb 0.38 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1u1d h PRO 72 CO 0.01 -0.12 -0.79 0.66 -0.21 0.00 0.00 178.00 177.56 1u1d h SER 73 N -0.18 0.00 -0.55 -2.05 4.64 -1.81 -2.63 113.55 110.97 1u1d h SER 73 Ca 0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1u1d h SER 73 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1u1d h SER 73 CO -0.45 0.79 0.33 0.74 -0.87 0.00 0.00 176.83 177.36 1u1d h THR 74 N 0.00 1.17 -0.59 2.95 2.02 -1.27 -0.36 112.91 116.83 1u1d h THR 74 Ca -0.01 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1u1d h THR 74 Cb 1.40 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1u1d h THR 74 CO 0.10 0.17 0.25 0.77 0.37 0.00 0.00 175.52 177.18 1u1d h SER 75 N 0.74 0.77 -0.01 4.18 4.64 0.55 -0.46 113.55 123.96 1u1d h SER 75 Ca 0.20 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1u1d h SER 75 Cb -0.01 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1u1d h SER 75 CO -0.04 0.69 -0.00 0.40 -0.87 0.00 0.00 176.83 177.01 1u1d h ILE 76 N 0.84 1.27 -0.04 0.95 2.04 -1.19 -2.74 117.51 118.63 1u1d h ILE 76 Ca 0.20 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1u1d h ILE 76 Cb 0.15 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1u1d h ILE 76 CO -0.02 0.21 0.02 0.00 0.00 0.00 0.00 178.15 178.36 1u1d h ALA 77 N 0.67 0.06 -0.64 1.87 0.00 -0.81 -1.79 119.26 118.61 1u1d h ALA 77 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1u1d h ALA 77 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1u1d h ALA 77 CO 0.00 -0.39 0.19 0.28 0.00 0.00 0.00 179.25 179.33 1u1d h VAL 78 N -0.04 1.25 -0.39 0.00 2.07 -1.20 -1.44 116.25 116.50 1u1d h VAL 78 Ca 0.02 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1u1d h VAL 78 Cb 0.11 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1u1d h VAL 78 CO -0.00 0.33 0.07 -0.08 0.02 0.00 0.00 177.57 177.91 1u1d h GLU 79 N 0.92 0.64 -0.01 1.57 4.57 -1.43 -1.62 114.58 119.22 1u1d h GLU 79 Ca 0.20 -0.17 -0.16 0.00 -1.18 0.00 0.00 59.36 58.06 1u1d h GLU 79 Cb 0.31 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1u1d h GLU 79 CO -0.00 0.69 -0.72 0.93 -1.18 0.00 0.00 179.01 178.73 1u1d h GLU 80 N 0.49 0.10 -0.21 1.92 5.08 -1.23 -1.49 114.58 119.22 1u1d h GLU 80 Ca 0.12 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1u1d h GLU 80 Cb 0.36 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1u1d h GLU 80 CO 0.01 0.77 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.27 1u1d h LEU 81 N 0.06 0.57 -0.94 1.33 3.38 -1.25 -2.71 115.31 115.75 1u1d h LEU 81 Ca -0.01 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1u1d h LEU 81 Cb 1.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1u1d h LEU 81 CO 0.10 0.94 -0.10 0.00 0.09 0.00 0.00 178.44 179.47 1u1d h ALA 82 N 1.08 1.11 -0.50 1.53 0.00 -1.05 -0.14 119.26 121.29 1u1d h ALA 82 Ca 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1u1d h ALA 82 Cb 0.95 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1u1d h ALA 82 CO 0.08 0.56 0.18 1.96 0.00 0.00 0.00 179.25 182.03 1u1d h GLN 83 N 0.61 0.72 0.00 0.00 4.20 -1.15 -2.74 115.11 116.75 1u1d h GLN 83 Ca 0.11 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u1d h GLN 83 Cb 0.53 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1u1d h GLN 83 CO 0.03 0.62 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.57 1u1d h LEU 84 N 0.71 0.00 0.00 1.46 3.38 -1.14 -3.47 115.31 116.25 1u1d h LEU 84 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1u1d h LEU 84 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1u1d h LEU 84 CO -0.01 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1u1d n GLY 85 N 1.19 0.52 3.71 0.83 0.00 -0.65 -4.81 105.19 105.98 1u1d n GLY 85 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1u1d n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1d s ILE 86 N -1.22 4.54 -0.07 -0.61 -1.09 -0.16 -4.45 121.20 118.13 1u1d s ILE 86 Ca 0.00 1.85 0.03 0.00 -2.23 0.00 0.00 60.65 60.30 1u1d s ILE 86 Cb 0.00 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 1u1d s ILE 86 CO 0.00 0.16 0.09 0.54 -1.23 0.00 0.00 174.94 174.51 1u1d n ARG 87 N 3.77 2.96 -4.70 2.79 5.12 0.88 -4.22 116.66 123.26 1u1d n ARG 87 Ca 0.07 -0.01 -0.26 0.00 -1.93 0.00 0.00 57.85 55.71 1u1d n ARG 87 Cb 0.49 -0.86 -0.17 0.00 -1.16 0.00 0.00 32.46 30.76 1u1d n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1d s THR 88 N -1.76 1.29 -0.11 0.55 2.01 -0.22 -1.56 115.64 115.84 1u1d s THR 88 Ca -0.00 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.44 1u1d s THR 88 Cb 0.02 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.39 1u1d s THR 88 CO 0.12 0.39 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.92 1u1d s PHE 89 N 0.57 2.04 -0.24 4.92 0.40 0.69 -0.42 117.98 125.93 1u1d s PHE 89 Ca -0.15 -0.97 0.01 0.00 -0.60 0.00 0.00 56.93 55.23 1u1d s PHE 89 Cb -0.16 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 41.95 1u1d s PHE 89 CO 0.04 -0.49 -0.11 -0.51 0.70 0.00 0.00 175.22 174.85 1u1d s LEU 90 N 0.98 3.16 -0.13 -0.37 1.43 -0.06 -0.98 118.68 122.73 1u1d s LEU 90 Ca -0.06 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 51.71 1u1d s LEU 90 Cb -0.15 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1u1d s LEU 90 CO -0.02 -0.15 0.57 -0.60 0.23 0.00 0.00 176.35 176.39 1u1d s ARG 91 N 1.20 4.33 -0.17 1.70 3.52 0.04 -0.01 118.95 129.55 1u1d s ARG 91 Ca -0.04 0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 56.15 1u1d s ARG 91 Cb -0.18 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1u1d s ARG 91 CO -0.06 0.02 -0.12 -1.50 -0.81 0.00 0.00 175.30 172.83 1u1d s ILE 92 N 1.03 2.85 0.28 4.11 -1.16 -1.23 -1.01 121.20 126.07 1u1d s ILE 92 Ca 0.29 -0.69 0.05 0.00 -0.51 0.00 0.00 60.65 59.79 1u1d s ILE 92 Cb -0.16 -2.23 -0.02 0.00 0.61 0.00 0.00 42.46 40.66 1u1d s ILE 92 CO 0.12 0.49 0.18 0.61 -2.81 0.00 0.00 174.94 173.53 1u1d n GLY 93 N 4.27 3.27 3.82 1.50 0.00 -0.30 -4.00 105.19 113.75 1u1d n GLY 93 Ca -0.19 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.66 1u1d n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1d s THR 94 N -2.92 4.50 0.06 2.61 -4.23 -1.26 -1.94 115.64 112.45 1u1d s THR 94 Ca 0.25 -1.29 -0.19 0.00 -1.18 0.00 0.00 61.69 59.28 1u1d s THR 94 Cb 0.01 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 70.50 1u1d s THR 94 CO 0.18 -0.28 0.45 0.28 -0.54 0.00 0.00 174.62 174.70 1u1d s THR 95 N -2.02 0.05 -0.27 3.99 -1.32 -0.93 -4.80 115.64 110.34 1u1d s THR 95 Ca 0.32 -0.40 -0.06 0.00 -1.21 0.00 0.00 61.69 60.34 1u1d s THR 95 Cb -0.09 -0.99 -0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1u1d s THR 95 CO 0.25 -0.22 0.05 -0.83 -2.21 0.00 0.00 174.62 171.66 1u1d s GLY 96 N -2.14 1.75 0.39 6.08 0.00 -1.07 -2.45 107.32 109.88 1u1d s GLY 96 Ca -0.04 -1.33 -0.24 0.00 0.00 0.00 0.00 44.72 43.11 1u1d s GLY 96 CO -0.04 0.58 1.02 0.00 0.00 0.00 0.00 173.10 174.66 1u1d s ALA 97 N 1.51 3.11 -0.27 3.20 0.00 0.01 -1.08 121.76 128.24 1u1d s ALA 97 Ca 0.04 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1u1d s ALA 97 Cb -0.16 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1u1d s ALA 97 CO 0.01 -0.10 0.57 0.44 0.00 0.00 0.00 175.76 176.68 1u1d n ILE 98 N 0.01 0.00 -3.80 0.00 -5.35 0.03 -1.24 119.36 109.01 1u1d n ILE 98 Ca 0.05 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 61.66 1u1d n ILE 98 Cb 0.50 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.38 1u1d n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1d s GLN 99 N -0.19 3.68 0.47 6.28 -1.52 -1.23 -4.82 119.66 122.33 1u1d s GLN 99 Ca 0.03 -0.10 0.17 0.00 -1.95 0.00 0.00 55.36 53.51 1u1d s GLN 99 Cb 0.02 -3.26 1.12 0.00 -0.22 0.00 0.00 33.01 30.68 1u1d s GLN 99 CO 0.03 0.64 2.03 -1.35 -0.25 0.00 0.00 175.29 176.39 1u1d h PRO 100 N 5.42 0.00 0.00 2.91 0.11 -1.96 -2.85 132.00 135.63 1u1d h PRO 100 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u1d h PRO 100 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u1d h PRO 100 CO 0.63 0.15 -0.08 -2.39 -0.21 0.00 0.00 178.00 176.09 1u1d n HIS 101 N -4.25 0.57 -3.17 0.65 1.44 -1.26 -4.73 115.22 104.48 1u1d n HIS 101 Ca -0.02 0.17 -0.40 0.00 -2.01 0.00 0.00 57.72 55.46 1u1d n HIS 101 Cb 0.22 -0.75 -0.06 0.00 0.12 0.00 0.00 29.99 29.52 1u1d n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1d s ILE 102 N -3.07 5.06 0.30 0.61 1.01 -1.08 -5.07 121.20 118.96 1u1d s ILE 102 Ca 0.11 1.10 0.06 0.00 0.00 0.00 0.00 60.65 61.92 1u1d s ILE 102 Cb 0.15 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1u1d s ILE 102 CO 0.59 0.15 0.43 0.20 0.00 0.00 0.00 174.94 176.31 1u1d s ASN 103 N 1.13 6.12 0.19 3.58 0.02 -1.26 -4.87 114.94 119.85 1u1d s ASN 103 Ca 0.27 -0.06 -0.31 0.00 -1.02 0.00 0.00 52.86 51.74 1u1d s ASN 103 Cb -0.16 -1.51 -0.10 0.00 0.02 0.00 0.00 41.25 39.50 1u1d s ASN 103 CO 0.10 -0.28 1.55 -0.69 0.02 0.00 0.00 177.10 177.80 1u1d s VAL 104 N -2.10 2.58 0.00 1.60 1.01 -1.26 -2.23 120.40 119.99 1u1d s VAL 104 Ca 0.40 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1u1d s VAL 104 Cb -0.09 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1u1d s VAL 104 CO 0.30 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1u1d n GLY 105 N 3.32 1.31 3.78 4.51 0.00 0.10 -5.01 105.19 113.20 1u1d n GLY 105 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1u1d n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1d s ASP 106 N -1.69 4.96 -0.13 1.61 1.11 -0.95 -4.73 116.67 116.86 1u1d s ASP 106 Ca 0.00 1.87 -0.01 0.00 0.18 0.00 0.00 52.55 54.59 1u1d s ASP 106 Cb 0.00 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 1u1d s ASP 106 CO 0.00 -1.73 -0.09 -0.69 1.18 0.00 0.00 175.17 173.84 1u1d s VAL 107 N -2.64 3.38 -0.15 -1.27 1.01 -0.16 -0.98 120.40 119.60 1u1d s VAL 107 Ca 0.63 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1u1d s VAL 107 Cb -0.18 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 1u1d s VAL 107 CO 0.48 0.52 -0.16 -0.76 0.00 0.00 0.00 175.10 175.18 1u1d s LEU 108 N 0.26 2.47 -0.22 3.92 1.43 0.20 -1.47 118.68 125.28 1u1d s LEU 108 Ca -0.07 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 1u1d s LEU 108 Cb -0.15 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1u1d s LEU 108 CO 0.04 0.10 0.07 -0.69 0.23 0.00 0.00 176.35 176.11 1u1d s VAL 109 N 0.73 4.60 -0.24 -1.59 1.01 -0.59 -1.24 120.40 123.07 1u1d s VAL 109 Ca -0.07 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 1u1d s VAL 109 Cb -0.16 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1u1d s VAL 109 CO 0.01 0.39 0.53 -0.89 0.00 0.00 0.00 175.10 175.14 1u1d s THR 110 N 1.03 5.07 0.01 3.92 2.01 -0.65 -2.21 115.64 124.82 1u1d s THR 110 Ca 0.04 0.94 -0.18 0.00 0.31 0.00 0.00 61.69 62.80 1u1d s THR 110 Cb -0.14 -3.85 -0.33 0.00 0.01 0.00 0.00 72.50 68.20 1u1d s THR 110 CO 0.03 0.11 0.99 0.71 -0.69 0.00 0.00 174.62 175.78 1u1d h THR 111 N 5.30 1.36 -2.80 -0.82 1.35 -1.58 -3.41 112.91 112.31 1u1d h THR 111 Ca -0.30 -2.57 0.03 0.00 -0.55 0.00 0.00 66.41 63.02 1u1d h THR 111 Cb 1.14 3.00 -0.11 0.00 -1.73 0.00 0.00 68.15 70.45 1u1d h THR 111 CO 0.73 0.76 0.29 0.00 -0.25 0.00 0.00 175.52 177.05 1u1d s ALA 112 N -2.66 -1.59 0.02 6.62 0.00 -1.26 -0.53 121.76 122.37 1u1d s ALA 112 Ca -0.11 0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.38 1u1d s ALA 112 Cb 0.03 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 1u1d s ALA 112 CO 0.90 -0.81 -0.24 -1.12 0.00 0.00 0.00 175.76 174.49 1u1d s SER 113 N -2.73 2.83 -0.03 0.00 0.01 -0.14 -2.04 113.70 111.59 1u1d s SER 113 Ca 0.04 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1u1d s SER 113 Cb -0.02 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1u1d s SER 113 CO -0.08 0.24 1.40 -0.69 0.41 0.00 0.00 173.24 174.52 1u1d s VAL 114 N -0.72 3.81 -1.11 3.43 1.01 0.16 -4.31 120.40 122.68 1u1d s VAL 114 Ca 0.10 1.14 -0.18 0.00 0.00 0.00 0.00 61.98 63.04 1u1d s VAL 114 Cb -0.09 -3.73 0.12 0.00 0.00 0.00 0.00 36.38 32.67 1u1d s VAL 114 CO 0.01 -0.03 1.40 -0.13 0.00 0.00 0.00 175.10 176.35 1u1d s ARG 115 N 2.74 3.84 -0.51 2.72 0.52 -1.26 -1.49 118.95 125.50 1u1d s ARG 115 Ca 0.63 -1.98 0.02 0.00 -0.52 0.00 0.00 55.73 53.89 1u1d s ARG 115 Cb -0.30 -5.15 0.58 0.00 0.52 0.00 0.00 34.95 30.59 1u1d s ARG 115 CO 0.25 -1.93 1.91 1.28 0.02 0.00 0.00 175.30 176.83 1u1d n LEU 116 N 6.97 6.87 -4.62 2.53 4.77 -0.49 -4.96 117.00 128.08 1u1d n LEU 116 Ca 0.34 -3.89 -0.28 0.00 -0.03 0.00 0.00 56.01 52.15 1u1d n LEU 116 Cb 0.47 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 1u1d n LEU 116 CO 0.62 1.24 -0.27 1.51 -1.33 0.00 0.00 177.39 179.16 1u1d s ASP 117 N -1.63 3.57 -0.18 -1.43 -4.77 -1.22 -1.52 116.67 109.49 1u1d s ASP 117 Ca 0.59 -1.48 0.08 0.00 -3.30 0.00 0.00 52.55 48.44 1u1d s ASP 117 Cb 0.48 -0.01 -0.17 0.00 -1.09 0.00 0.00 42.92 42.14 1u1d s ASP 117 CO 0.06 -0.63 -0.06 0.61 0.70 0.00 0.00 175.17 175.85 1u1d n GLY 118 N -0.99 -0.54 0.26 2.12 0.00 -1.26 -4.67 105.19 100.12 1u1d n GLY 118 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1u1d n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d h ALA 119 N 0.39 1.38 -0.68 4.61 0.00 -1.98 -2.59 119.26 120.39 1u1d h ALA 119 Ca -0.44 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.30 1u1d h ALA 119 Cb 1.85 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 1u1d h ALA 119 CO -0.02 0.43 0.45 0.66 0.00 0.00 0.00 179.25 180.77 1u1d h SER 120 N 0.45 0.68 0.42 0.00 4.64 -1.85 -1.14 113.55 116.74 1u1d h SER 120 Ca 0.09 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u1d h SER 120 Cb 0.36 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1u1d h SER 120 CO 0.01 0.46 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.35 1u1d h LEU 121 N 0.78 0.00 0.00 5.97 3.38 -1.56 -1.71 115.31 122.17 1u1d h LEU 121 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1u1d h LEU 121 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1u1d h LEU 121 CO -0.08 0.01 0.00 1.41 0.09 0.00 0.00 178.44 179.87 1u1d n HIS 122 N -3.15 0.00 -0.01 1.13 8.25 -0.43 -3.82 115.22 117.19 1u1d n HIS 122 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1u1d n HIS 122 Cb 0.18 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 1u1d n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1d n PHE 123 N -1.28 0.00 -3.65 4.41 3.01 -0.72 -5.08 117.46 114.16 1u1d n PHE 123 Ca 0.14 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.45 1u1d n PHE 123 Cb 0.23 -0.05 -0.08 0.00 -0.01 0.00 0.00 39.48 39.57 1u1d n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1d s ALA 124 N -2.03 -1.39 0.86 4.37 0.00 -0.75 -5.00 121.76 117.82 1u1d s ALA 124 Ca -0.01 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 1u1d s ALA 124 Cb 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 23.12 22.83 1u1d s ALA 124 CO 0.04 -0.30 1.14 -1.25 0.00 0.00 0.00 175.76 175.39 1u1d s PRO 125 N -0.54 1.45 0.45 0.00 0.04 -1.26 -3.84 135.00 131.29 1u1d s PRO 125 Ca -0.07 1.48 0.20 0.00 0.04 0.00 0.00 61.00 62.65 1u1d s PRO 125 Cb -0.03 -1.78 1.17 0.00 0.04 0.00 0.00 34.50 33.90 1u1d s PRO 125 CO 0.05 -2.30 1.91 1.25 0.04 0.00 0.00 177.00 177.95 1u1d h LEU 126 N -1.51 0.28 -2.33 -3.56 5.85 -1.93 -1.15 115.31 110.96 1u1d h LEU 126 Ca -0.44 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1u1d h LEU 126 Cb 1.26 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1u1d h LEU 126 CO 0.45 0.14 -0.04 1.05 -0.34 0.00 0.00 178.44 179.70 1u1d h GLU 127 N 0.30 0.00 -6.55 1.25 9.09 -2.03 -3.42 114.58 113.21 1u1d h GLU 127 Ca 0.38 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.26 1u1d h GLU 127 Cb 1.05 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.16 1u1d h GLU 127 CO -0.10 0.04 0.62 0.12 0.05 0.00 0.00 179.01 179.74 1u1d s PHE 128 N -4.15 3.36 0.08 2.06 2.19 -0.44 -4.99 117.98 116.08 1u1d s PHE 128 Ca -0.03 1.20 -0.30 0.00 0.33 0.00 0.00 56.93 58.12 1u1d s PHE 128 Cb 0.13 -3.52 -0.06 0.00 -1.31 0.00 0.00 43.02 38.25 1u1d s PHE 128 CO 0.51 -1.68 1.17 -1.25 1.83 0.00 0.00 175.22 175.79 1u1d s PRO 129 N 0.75 4.46 -1.26 10.12 0.04 -1.26 -4.93 135.00 142.93 1u1d s PRO 129 Ca 0.59 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 1u1d s PRO 129 Cb -0.33 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1u1d s PRO 129 CO 0.32 -0.19 2.23 0.00 0.04 0.00 0.00 177.00 179.39 1u1d n ALA 130 N 3.66 5.14 -2.81 8.56 0.00 -1.26 -4.74 120.51 129.06 1u1d n ALA 130 Ca 0.08 -3.55 -0.37 0.00 0.00 0.00 0.00 53.44 49.60 1u1d n ALA 130 Cb 0.47 -3.51 -0.06 0.00 0.00 0.00 0.00 19.45 16.35 1u1d n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1d s VAL 131 N 3.58 5.43 0.52 0.00 0.11 -1.26 -0.96 120.40 127.81 1u1d s VAL 131 Ca 0.52 0.31 -0.18 0.00 -2.93 0.00 0.00 61.98 59.71 1u1d s VAL 131 Cb 0.14 -3.45 -0.07 0.00 -1.53 0.00 0.00 36.38 31.47 1u1d s VAL 131 CO -0.03 0.60 1.01 0.00 -3.33 0.00 0.00 175.10 173.36 1u1d s ALA 132 N -0.96 2.93 0.27 1.54 0.00 0.31 -4.69 121.76 121.15 1u1d s ALA 132 Ca 0.16 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 1u1d s ALA 132 Cb -0.13 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1u1d s ALA 132 CO 0.05 -0.37 1.42 0.34 0.00 0.00 0.00 175.76 177.20 1u1d s ASP 133 N -2.65 6.65 0.22 0.00 2.15 0.31 -4.92 116.67 118.43 1u1d s ASP 133 Ca 0.62 2.70 -0.08 0.00 0.43 0.00 0.00 52.55 56.22 1u1d s ASP 133 Cb -0.13 -2.63 0.17 0.00 -0.30 0.00 0.00 42.92 40.04 1u1d s ASP 133 CO 0.28 -0.69 1.81 0.15 -0.17 0.00 0.00 175.17 176.55 1u1d h PHE 134 N 4.65 1.21 -0.48 -5.34 3.04 -1.95 -0.62 116.94 117.45 1u1d h PHE 134 Ca -0.47 -0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.29 1u1d h PHE 134 Cb 1.22 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.34 1u1d h PHE 134 CO 0.59 0.88 -0.21 0.93 -2.02 0.00 0.00 178.31 178.48 1u1d h GLU 135 N 1.19 0.98 -0.37 1.11 5.08 -1.95 -0.84 114.58 119.78 1u1d h GLU 135 Ca 0.28 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1u1d h GLU 135 Cb 0.13 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1u1d h GLU 135 CO -0.03 1.09 -0.00 0.00 -1.00 0.00 0.00 179.01 179.07 1u1d h THR 137 N 0.47 1.18 -0.29 0.00 2.02 -1.07 -1.61 112.91 113.60 1u1d h THR 137 Ca 0.10 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.81 1u1d h THR 137 Cb 0.47 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1u1d h THR 137 CO 0.02 0.20 0.12 0.74 0.37 0.00 0.00 175.52 176.97 1u1d h THR 138 N 0.60 0.95 -0.88 3.16 2.02 -1.07 -1.44 112.91 116.25 1u1d h THR 138 Ca 0.16 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1u1d h THR 138 Cb 0.10 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1u1d h THR 138 CO -0.02 0.05 0.52 0.00 0.37 0.00 0.00 175.52 176.44 1u1d h ALA 139 N 1.17 1.27 -0.31 6.16 0.00 -0.99 -0.09 119.26 126.46 1u1d h ALA 139 Ca 0.13 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1u1d h ALA 139 Cb 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1u1d h ALA 139 CO -0.11 0.62 -0.24 -0.07 0.00 0.00 0.00 179.25 179.45 1u1d h LEU 140 N 1.21 0.76 -0.55 0.00 3.38 -1.06 0.03 115.31 119.08 1u1d h LEU 140 Ca 0.31 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1u1d h LEU 140 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1u1d h LEU 140 CO -0.06 1.05 0.16 0.58 0.09 0.00 0.00 178.44 180.25 1u1d h VAL 141 N 0.48 1.24 -0.53 1.22 2.07 -1.02 -0.82 116.25 118.89 1u1d h VAL 141 Ca 0.06 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 1u1d h VAL 141 Cb 0.80 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1u1d h VAL 141 CO 0.06 0.31 -0.07 -0.33 0.02 0.00 0.00 177.57 177.56 1u1d h GLU 142 N 0.76 0.97 -0.45 1.57 4.39 -0.98 -2.22 114.58 118.61 1u1d h GLU 142 Ca 0.17 -0.33 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 1u1d h GLU 142 Cb 0.30 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1u1d h GLU 142 CO -0.00 0.99 -0.15 0.00 -1.16 0.00 0.00 179.01 178.69 1u1d h ALA 143 N 1.04 0.87 -0.57 3.43 0.00 -0.82 0.24 119.26 123.44 1u1d h ALA 143 Ca 0.15 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1u1d h ALA 143 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1u1d h ALA 143 CO 0.04 0.64 0.08 0.00 0.00 0.00 0.00 179.25 180.00 1u1d h ALA 144 N 1.05 1.06 0.00 0.00 0.00 -1.05 -2.12 119.26 118.21 1u1d h ALA 144 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1u1d h ALA 144 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1u1d h ALA 144 CO 0.05 0.60 -0.43 1.57 0.00 0.00 0.00 179.25 181.04 1u1d h LYS 145 N 0.87 0.00 0.06 0.00 2.10 -1.19 -2.11 116.57 116.30 1u1d h LYS 145 Ca 0.18 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1u1d h LYS 145 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1u1d h LYS 145 CO 0.01 0.43 -0.03 1.03 -2.00 0.00 0.00 179.45 178.89 1u1d h SER 146 N 0.00 -0.07 0.93 7.07 0.87 -0.54 -3.29 113.55 118.53 1u1d h SER 146 Ca -0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1u1d h SER 146 Cb 1.08 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1u1d h SER 146 CO 0.06 0.45 -0.28 2.30 -0.53 0.00 0.00 176.83 178.83 1u1d n ILE 147 N -4.88 0.21 -0.95 2.23 -5.35 -0.83 -5.02 119.36 104.77 1u1d n ILE 147 Ca -0.09 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1u1d n ILE 147 Cb 0.27 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1u1d n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1d n GLY 148 N 1.42 -2.29 3.40 3.28 0.00 -0.83 -5.10 105.19 105.07 1u1d n GLY 148 Ca 0.05 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 1u1d n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d s ALA 149 N 0.00 -1.33 -0.61 4.61 0.00 -1.00 -4.99 121.76 118.44 1u1d s ALA 149 Ca 0.00 0.72 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 1u1d s ALA 149 Cb 0.00 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.38 1u1d s ALA 149 CO 0.00 -0.42 1.21 0.99 0.00 0.00 0.00 175.76 177.54 1u1d s THR 150 N -1.92 3.96 -0.06 0.00 2.01 -1.26 -4.84 115.64 113.53 1u1d s THR 150 Ca -0.08 0.81 0.03 0.00 0.31 0.00 0.00 61.69 62.76 1u1d s THR 150 Cb -0.01 -4.76 -0.02 0.00 0.01 0.00 0.00 72.50 67.71 1u1d s THR 150 CO 0.02 -1.44 -0.14 -0.89 -0.69 0.00 0.00 174.62 171.49 1u1d s THR 151 N 5.12 3.08 -0.05 -0.82 2.01 -1.26 -0.98 115.64 122.74 1u1d s THR 151 Ca 0.42 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.76 1u1d s THR 151 Cb -0.08 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 1u1d s THR 151 CO 0.23 0.58 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.54 1u1d s HIS 152 N -0.58 2.01 -0.14 4.92 3.76 -0.54 -4.98 115.29 119.75 1u1d s HIS 152 Ca 0.08 -0.60 -0.00 0.00 -0.15 0.00 0.00 55.06 54.39 1u1d s HIS 152 Cb -0.11 -1.34 -0.01 0.00 1.11 0.00 0.00 32.58 32.22 1u1d s HIS 152 CO 0.01 -0.20 -0.13 0.08 -0.85 0.00 0.00 174.74 173.65 1u1d s VAL 153 N -0.01 2.96 -2.83 -0.90 1.01 -1.26 -1.55 120.40 117.83 1u1d s VAL 153 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1u1d s VAL 153 Cb -0.13 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1u1d s VAL 153 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1u1d n GLY 154 N 3.65 -0.59 3.81 4.51 0.00 -0.94 -4.98 105.19 110.65 1u1d n GLY 154 Ca -0.18 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 1u1d n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1d s VAL 155 N -3.65 4.71 -0.04 1.61 1.01 -1.26 -1.42 120.40 121.36 1u1d s VAL 155 Ca 0.00 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.28 1u1d s VAL 155 Cb 0.00 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1u1d s VAL 155 CO 0.00 0.53 -0.23 -0.89 0.00 0.00 0.00 175.10 174.51 1u1d s THR 156 N -1.14 2.27 -0.33 3.92 2.01 -0.87 -0.93 115.64 120.57 1u1d s THR 156 Ca 0.30 -1.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.07 1u1d s THR 156 Cb -0.19 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1u1d s THR 156 CO 0.20 0.58 0.70 0.00 -0.69 0.00 0.00 174.62 175.40 1u1d s ALA 157 N -0.48 3.49 -0.39 7.40 0.00 0.11 0.38 121.76 132.27 1u1d s ALA 157 Ca 0.06 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 1u1d s ALA 157 Cb -0.11 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.84 1u1d s ALA 157 CO 0.01 -1.26 0.22 0.45 0.00 0.00 0.00 175.76 175.17 1u1d s SER 158 N 1.72 5.64 -0.02 0.00 0.15 -0.55 -1.91 113.70 118.73 1u1d s SER 158 Ca 0.28 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1u1d s SER 158 Cb -0.14 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 1u1d s SER 158 CO 0.14 -0.44 0.04 -0.55 1.20 0.00 0.00 173.24 173.62 1u1d s SER 159 N 1.78 5.40 0.00 5.45 0.15 0.13 -1.40 113.70 125.21 1u1d s SER 159 Ca 0.02 0.09 0.24 0.00 0.70 0.00 0.00 55.95 57.00 1u1d s SER 159 Cb -0.21 -1.50 1.04 0.00 -1.71 0.00 0.00 66.02 63.65 1u1d s SER 159 CO 0.04 0.29 1.77 0.47 1.20 0.00 0.00 173.24 177.02 1u1d n ASP 160 N 1.42 0.00 -4.27 5.45 9.92 -0.58 -4.35 116.55 124.14 1u1d n ASP 160 Ca -0.15 0.45 -0.18 0.00 -0.53 0.00 0.00 54.79 54.39 1u1d n ASP 160 Cb 0.53 -0.48 -0.11 0.00 -0.64 0.00 0.00 41.12 40.42 1u1d n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1d s THR 161 N -2.96 1.44 0.04 -3.53 -4.23 -1.26 -5.02 115.64 100.12 1u1d s THR 161 Ca 0.13 -1.90 0.07 0.00 -1.18 0.00 0.00 61.69 58.80 1u1d s THR 161 Cb 0.16 -1.72 -0.23 0.00 1.34 0.00 0.00 72.50 72.04 1u1d s THR 161 CO 0.43 -0.50 0.97 0.15 -0.54 0.00 0.00 174.62 175.14 1u1d h PHE 162 N 3.17 0.11 0.00 3.99 3.57 -1.97 -3.39 116.94 122.42 1u1d h PHE 162 Ca -0.39 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1u1d h PHE 162 Cb 1.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1u1d h PHE 162 CO 0.67 1.09 0.00 0.66 -2.23 0.00 0.00 178.31 178.50 1u1d n TYR 163 N -3.27 0.00 -0.15 0.41 4.02 -1.26 -4.33 117.16 112.57 1u1d n TYR 163 Ca -0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.74 1u1d n TYR 163 Cb 1.00 -0.00 0.12 0.00 -0.02 0.00 0.00 39.34 40.43 1u1d n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1d h PRO 164 N 0.00 0.90 0.00 -0.72 0.13 -1.88 0.15 132.00 130.59 1u1d h PRO 164 Ca 0.00 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1u1d h PRO 164 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1u1d h PRO 164 CO 0.00 0.88 0.00 0.78 -0.23 0.00 0.00 178.00 179.43 1u1d h GLY 165 N 1.00 0.00 -1.69 1.56 0.00 -1.87 -1.06 103.07 101.01 1u1d h GLY 165 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1u1d h GLY 165 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 1u1d n GLN 166 N -2.52 3.05 -3.97 4.80 6.02 -0.90 -4.93 117.38 118.93 1u1d n GLN 166 Ca 0.01 -2.73 -0.27 0.00 -0.01 0.00 0.00 57.00 54.00 1u1d n GLN 166 Cb 0.24 -1.77 -0.02 0.00 1.02 0.00 0.00 30.24 29.70 1u1d n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1d n GLU 167 N -0.24 -2.85 -3.28 -1.09 2.13 -0.40 -4.94 120.64 109.98 1u1d n GLU 167 Ca 0.20 0.37 -0.38 0.00 0.66 0.00 0.00 57.16 58.01 1u1d n GLU 167 Cb 0.83 -4.36 -0.06 0.00 0.27 0.00 0.00 31.44 28.12 1u1d n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1d s ARG 168 N -6.61 4.34 0.00 5.31 0.52 0.48 -4.96 118.95 118.03 1u1d s ARG 168 Ca 0.05 0.50 0.15 0.00 -0.52 0.00 0.00 55.73 55.90 1u1d s ARG 168 Cb -0.02 -3.45 -0.14 0.00 0.52 0.00 0.00 34.95 31.87 1u1d s ARG 168 CO 0.90 0.13 0.65 0.66 0.02 0.00 0.00 175.30 177.66 1u1d n TYR 169 N 3.75 0.00 -1.25 -0.53 4.02 -1.26 -4.38 117.16 117.51 1u1d n TYR 169 Ca -0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.47 1u1d n TYR 169 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 1u1d n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1d n ASP 170 N -1.19 6.79 -4.11 7.72 5.75 -1.26 -4.26 116.55 125.99 1u1d n ASP 170 Ca 0.03 -2.57 -0.25 0.00 -0.01 0.00 0.00 54.79 51.99 1u1d n ASP 170 Cb 0.24 -1.45 -0.08 0.00 -1.03 0.00 0.00 41.12 38.79 1u1d n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u1d s THR 171 N 2.76 0.60 0.11 2.12 -4.23 -1.26 -5.03 115.64 110.71 1u1d s THR 171 Ca 0.59 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.89 1u1d s THR 171 Cb 0.15 -2.38 -0.10 0.00 1.34 0.00 0.00 72.50 71.51 1u1d s THR 171 CO -0.05 0.00 1.74 0.22 -0.54 0.00 0.00 174.62 175.99 1u1d h TYR 172 N 1.83 0.03 0.05 3.99 5.03 -1.99 -3.18 116.97 122.73 1u1d h TYR 172 Ca -0.35 0.01 -0.25 0.00 2.58 0.00 0.00 58.73 60.71 1u1d h TYR 172 Cb 1.27 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.53 1u1d h TYR 172 CO 1.45 0.01 -1.22 0.66 -1.32 0.00 0.00 178.16 177.74 1u1d h SER 173 N 0.06 0.18 -0.20 -2.11 4.64 -1.97 -3.47 113.55 110.67 1u1d h SER 173 Ca 0.04 -0.21 -0.09 0.00 -0.47 0.00 0.00 61.79 61.06 1u1d h SER 173 Cb 0.04 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1u1d h SER 173 CO -0.06 1.17 -0.08 0.61 -0.87 0.00 0.00 176.83 177.60 1u1d n GLY 174 N 1.47 0.66 3.36 -0.77 0.00 -1.20 -5.01 105.19 103.70 1u1d n GLY 174 Ca -0.07 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1u1d n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1d s ARG 175 N -1.76 1.33 -0.07 1.61 1.70 -1.26 -4.93 118.95 115.57 1u1d s ARG 175 Ca 0.00 -1.38 0.04 0.00 -0.47 0.00 0.00 55.73 53.92 1u1d s ARG 175 Cb 0.00 -1.59 0.00 0.00 -0.57 0.00 0.00 34.95 32.80 1u1d s ARG 175 CO 0.00 0.35 -0.18 0.08 -1.08 0.00 0.00 175.30 174.47 1u1d s VAL 176 N -1.57 1.54 0.47 4.99 1.01 -1.26 -4.93 120.40 120.66 1u1d s VAL 176 Ca 0.15 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 1u1d s VAL 176 Cb -0.08 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.87 1u1d s VAL 176 CO 0.07 0.44 1.05 0.55 0.00 0.00 0.00 175.10 177.21 1u1d n VAL 177 N 3.46 2.82 -0.31 2.92 3.14 -1.26 -4.62 118.33 124.48 1u1d n VAL 177 Ca -0.20 -0.50 0.14 0.00 -2.96 0.00 0.00 64.34 60.82 1u1d n VAL 177 Cb 0.52 -1.24 0.30 0.00 -1.06 0.00 0.00 33.84 32.36 1u1d n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1d h ARG 178 N 1.35 0.13 -0.71 1.45 2.43 -2.00 -0.14 114.38 116.89 1u1d h ARG 178 Ca -0.46 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 58.80 1u1d h ARG 178 Cb 1.34 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 1u1d h ARG 178 CO 0.56 0.08 0.47 1.25 -1.51 0.00 0.00 179.97 180.82 1u1d h HIS 179 N 0.13 0.60 -0.02 2.20 2.76 -2.02 -2.34 115.15 116.46 1u1d h HIS 179 Ca 0.57 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.76 1u1d h HIS 179 Cb 1.18 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.95 1u1d h HIS 179 CO -0.32 0.27 -0.08 1.19 -1.30 0.00 0.00 177.93 177.69 1u1d n PHE 180 N -4.49 0.00 -2.06 5.26 3.01 -0.12 -4.79 117.46 114.27 1u1d n PHE 180 Ca 0.12 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 1u1d n PHE 180 Cb 0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1u1d n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1d s LYS 181 N -1.80 4.20 -0.09 -1.08 -0.14 -0.87 -2.13 119.74 117.84 1u1d s LYS 181 Ca 0.22 2.14 0.00 0.00 -1.36 0.00 0.00 55.97 56.97 1u1d s LYS 181 Cb 0.17 -3.87 0.00 0.00 -1.68 0.00 0.00 37.83 32.45 1u1d s LYS 181 CO 0.30 -0.79 0.00 0.41 -0.76 0.00 0.00 175.35 174.52 1u1d n GLY 182 N 4.01 0.45 0.23 -3.33 0.00 -1.26 -4.93 105.19 100.36 1u1d n GLY 182 Ca 0.16 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1u1d n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1d h SER 183 N 0.00 0.79 -0.43 1.61 4.64 -1.74 -2.95 113.55 115.47 1u1d h SER 183 Ca -0.02 -0.42 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1u1d h SER 183 Cb 0.24 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1u1d h SER 183 CO 0.03 1.17 0.26 -0.03 -0.87 0.00 0.00 176.83 177.39 1u1d h MET 184 N 0.56 0.59 -0.69 4.77 -1.53 -1.92 -0.56 114.93 116.14 1u1d h MET 184 Ca 0.02 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1u1d h MET 184 Cb 1.10 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.99 1u1d h MET 184 CO 0.11 0.43 0.44 1.49 0.14 0.00 0.00 176.91 179.52 1u1d h GLU 185 N 0.57 0.92 -0.11 0.39 4.81 -1.97 0.40 114.58 119.60 1u1d h GLU 185 Ca 0.16 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1u1d h GLU 185 Cb -0.00 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 1u1d h GLU 185 CO -0.03 0.63 0.02 1.49 -0.73 0.00 0.00 179.01 180.39 1u1d h GLU 186 N 0.95 0.19 -0.86 1.92 4.57 -1.24 -1.65 114.58 118.45 1u1d h GLU 186 Ca 0.25 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1u1d h GLU 186 Cb -0.08 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 1u1d h GLU 186 CO -0.05 0.39 0.46 -1.49 -1.18 0.00 0.00 179.01 177.15 1u1d h TRP 187 N -0.05 1.19 -0.33 0.92 -0.00 -0.81 -2.10 115.95 114.78 1u1d h TRP 187 Ca 0.03 -0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.92 1u1d h TRP 187 Cb 0.30 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 29.05 1u1d h TRP 187 CO 0.02 0.83 0.12 1.96 -0.00 0.00 0.00 178.44 181.37 1u1d h GLN 188 N 1.21 0.26 0.00 0.49 4.20 -0.83 -1.16 115.11 119.27 1u1d h GLN 188 Ca 0.30 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 1u1d h GLN 188 Cb 0.04 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1u1d h GLN 188 CO -0.05 0.17 -0.18 0.00 -0.67 0.00 0.00 178.83 178.10 1u1d h ALA 189 N 1.20 1.46 -0.04 3.87 0.00 -1.07 -2.27 119.26 122.41 1u1d h ALA 189 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u1d h ALA 189 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u1d h ALA 189 CO -0.14 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 178.01 1u1d n MET 190 N -3.98 1.42 -0.92 0.00 2.81 -0.78 -4.92 117.12 110.75 1u1d n MET 190 Ca -0.02 -0.61 0.00 0.00 -1.81 0.00 0.00 57.70 55.26 1u1d n MET 190 Cb 0.27 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 1u1d n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1d n GLY 191 N 1.07 0.51 3.72 3.03 0.00 -0.85 -5.01 105.19 107.65 1u1d n GLY 191 Ca 0.19 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1u1d n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1d s VAL 192 N -2.00 2.68 0.05 1.61 1.01 -0.51 -4.61 120.40 118.63 1u1d s VAL 192 Ca 0.00 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.30 1u1d s VAL 192 Cb 0.00 -3.30 -0.26 0.00 0.00 0.00 0.00 36.38 32.81 1u1d s VAL 192 CO 0.00 0.04 1.13 0.24 0.00 0.00 0.00 175.10 176.50 1u1d h MET 193 N 6.86 0.63 -2.67 2.72 0.00 -1.36 -3.41 114.93 117.70 1u1d h MET 193 Ca -0.43 -0.76 0.12 0.00 0.00 0.00 0.00 59.70 58.64 1u1d h MET 193 Cb 1.20 0.23 -0.07 0.00 0.00 0.00 0.00 31.60 32.97 1u1d h MET 193 CO 0.91 1.33 0.36 0.54 0.00 0.00 0.00 176.91 180.05 1u1d s ASN 194 N -7.29 -0.23 -0.11 1.22 6.03 -1.26 -0.79 114.94 112.51 1u1d s ASN 194 Ca -0.10 -0.49 0.00 0.00 -1.03 0.00 0.00 52.86 51.24 1u1d s ASN 194 Cb 0.06 0.60 -0.02 0.00 -3.03 0.00 0.00 41.25 38.86 1u1d s ASN 194 CO 0.91 -1.11 -0.12 -0.31 -2.03 0.00 0.00 177.10 174.44 1u1d s TYR 195 N -3.59 2.82 0.00 1.54 4.12 -0.24 -0.71 117.35 121.28 1u1d s TYR 195 Ca 0.11 -0.48 0.00 0.00 0.02 0.00 0.00 57.07 56.72 1u1d s TYR 195 Cb -0.04 -1.81 0.00 0.00 -1.52 0.00 0.00 41.96 38.59 1u1d s TYR 195 CO 0.04 -0.09 0.00 -0.85 0.02 0.00 0.00 175.55 174.67 1u1d n GLU 196 N 3.24 0.00 0.00 -0.62 -0.00 -0.81 -2.58 120.64 119.87 1u1d n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1d n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1d n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1d n MET 197 N 0.00 0.76 0.00 3.44 2.81 -1.26 -0.69 117.12 122.18 1u1d n MET 197 Ca 0.00 -0.76 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 1u1d n MET 197 Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 1u1d n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1d n GLU 198 N -0.17 3.09 -0.30 0.03 4.71 -1.26 -3.53 120.64 123.21 1u1d n GLU 198 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1u1d n GLU 198 Cb 0.24 -0.69 0.07 0.00 -1.01 0.00 0.00 31.44 30.05 1u1d n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1d h SER 199 N 0.00 1.09 -0.40 1.62 4.64 -1.94 -1.80 113.55 116.76 1u1d h SER 199 Ca 0.00 -0.15 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1u1d h SER 199 Cb 0.11 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 1u1d h SER 199 CO 0.00 0.94 0.17 0.00 -0.87 0.00 0.00 176.83 177.07 1u1d h ALA 200 N 1.19 0.48 0.19 5.18 0.00 -1.87 0.21 119.26 124.64 1u1d h ALA 200 Ca 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1u1d h ALA 200 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1u1d h ALA 200 CO -0.03 -0.21 -0.09 1.15 0.00 0.00 0.00 179.25 180.07 1u1d h THR 201 N 0.34 0.90 0.11 0.00 2.02 -1.87 -2.06 112.91 112.35 1u1d h THR 201 Ca 0.18 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1u1d h THR 201 Cb 0.13 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1u1d h THR 201 CO -0.16 0.11 -0.18 0.25 0.37 0.00 0.00 175.52 175.91 1u1d h LEU 202 N -0.48 -0.50 -0.60 2.58 5.85 -1.12 -1.25 115.31 119.78 1u1d h LEU 202 Ca -0.03 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1u1d h LEU 202 Cb 0.37 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1u1d h LEU 202 CO 0.04 -0.26 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.80 1u1d h LEU 203 N -0.35 1.05 -0.01 2.25 3.38 -0.66 -1.95 115.31 119.02 1u1d h LEU 203 Ca 0.02 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1u1d h LEU 203 Cb 0.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1u1d h LEU 203 CO -0.10 1.10 0.00 0.74 0.09 0.00 0.00 178.44 180.28 1u1d h THR 204 N 0.96 1.22 0.00 0.22 2.02 -1.31 -1.25 112.91 114.78 1u1d h THR 204 Ca 0.17 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1u1d h THR 204 Cb 0.57 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1u1d h THR 204 CO 0.03 0.17 -0.29 0.00 0.37 0.00 0.00 175.52 175.81 1u1d h MET 205 N -0.26 0.00 0.11 6.66 -0.00 -1.18 -1.76 114.93 118.49 1u1d h MET 205 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.53 1u1d h MET 205 Cb 0.28 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.89 1u1d h MET 205 CO 0.00 0.29 -0.77 0.00 -0.00 0.00 0.00 176.91 176.43 1u1d h ALA 207 N 0.03 1.26 -0.27 0.00 0.00 -1.13 0.45 119.26 119.61 1u1d h ALA 207 Ca -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1u1d h ALA 207 Cb 1.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1u1d h ALA 207 CO 0.10 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 1u1d n SER 208 N -3.67 2.92 -0.12 0.00 3.41 -0.67 -4.27 113.62 111.21 1u1d n SER 208 Ca -0.01 -1.91 0.02 0.00 -0.26 0.00 0.00 58.87 56.70 1u1d n SER 208 Cb 0.29 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1u1d n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1d n GLN 209 N 1.16 0.96 -1.75 4.33 6.02 -0.95 -5.01 117.38 122.13 1u1d n GLN 209 Ca 0.18 -1.18 -0.08 0.00 -0.01 0.00 0.00 57.00 55.91 1u1d n GLN 209 Cb 0.53 -0.78 -0.02 0.00 1.02 0.00 0.00 30.24 31.00 1u1d n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1d n GLY 210 N -0.35 0.45 3.66 1.08 0.00 -0.98 -5.03 105.19 104.03 1u1d n GLY 210 Ca 0.02 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1u1d n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1d s LEU 211 N -2.07 3.46 -0.05 0.99 1.43 0.11 -5.05 118.68 117.49 1u1d s LEU 211 Ca 0.00 -0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 52.88 1u1d s LEU 211 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1u1d s LEU 211 CO 0.00 0.30 0.62 -0.13 0.23 0.00 0.00 176.35 177.37 1u1d s ARG 212 N -1.40 4.38 -0.00 1.70 0.52 -0.60 -3.85 118.95 119.69 1u1d s ARG 212 Ca 0.18 0.75 0.01 0.00 -0.52 0.00 0.00 55.73 56.16 1u1d s ARG 212 Cb -0.11 -3.41 -0.00 0.00 0.52 0.00 0.00 34.95 31.94 1u1d s ARG 212 CO 0.08 0.18 -0.05 0.00 0.02 0.00 0.00 175.30 175.54 1u1d s ALA 213 N 0.43 0.40 0.10 2.13 0.00 -1.26 -0.23 121.76 123.34 1u1d s ALA 213 Ca 0.33 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.14 1u1d s ALA 213 Cb -0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1u1d s ALA 213 CO 0.16 0.10 -0.13 0.20 0.00 0.00 0.00 175.76 176.09 1u1d s GLY 214 N -0.10 0.94 -0.06 0.00 0.00 -0.15 -0.53 107.32 107.43 1u1d s GLY 214 Ca 0.02 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 1u1d s GLY 214 CO -0.00 -1.21 0.00 -0.29 0.00 0.00 0.00 173.10 171.60 1u1d s MET 215 N -2.35 0.53 0.02 2.90 1.75 -1.26 -0.78 119.30 120.10 1u1d s MET 215 Ca 0.04 0.10 0.02 0.00 -1.25 0.00 0.00 55.69 54.60 1u1d s MET 215 Cb -0.06 -0.84 -0.01 0.00 2.84 0.00 0.00 34.83 36.76 1u1d s MET 215 CO 0.02 -0.25 -0.07 0.54 -0.65 0.00 0.00 175.02 174.61 1u1d s VAL 216 N 1.70 0.54 -0.05 10.11 0.11 -0.18 -1.63 120.40 131.00 1u1d s VAL 216 Ca 0.01 -0.65 -0.10 0.00 -2.93 0.00 0.00 61.98 58.30 1u1d s VAL 216 Cb -0.13 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1u1d s VAL 216 CO -0.04 -0.09 0.24 0.00 -3.33 0.00 0.00 175.10 171.88 1u1d s ALA 217 N -0.71 -0.59 -0.16 1.54 0.00 -0.37 -1.15 121.76 120.32 1u1d s ALA 217 Ca -0.03 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 1u1d s ALA 217 Cb -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1u1d s ALA 217 CO 0.00 -0.18 0.24 0.20 0.00 0.00 0.00 175.76 176.01 1u1d s GLY 218 N -0.70 2.17 -0.31 0.00 0.00 -0.82 -0.62 107.32 107.04 1u1d s GLY 218 Ca -0.08 -0.53 -0.29 0.00 0.00 0.00 0.00 44.72 43.82 1u1d s GLY 218 CO 0.02 0.25 1.17 0.14 0.00 0.00 0.00 173.10 174.68 1u1d s VAL 219 N 0.20 4.35 -0.31 1.40 1.01 -0.16 -2.20 120.40 124.70 1u1d s VAL 219 Ca 0.14 1.55 0.11 0.00 0.00 0.00 0.00 61.98 63.78 1u1d s VAL 219 Cb -0.12 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 1u1d s VAL 219 CO 0.03 -0.47 0.36 2.30 0.00 0.00 0.00 175.10 177.32 1u1d n ILE 220 N 5.99 0.00 -3.83 2.22 -5.35 -1.02 0.03 119.36 117.39 1u1d n ILE 220 Ca 0.13 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.24 1u1d n ILE 220 Cb 0.47 0.71 -0.12 0.00 -1.74 0.00 0.00 39.64 38.96 1u1d n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1d s VAL 221 N -2.28 0.02 -0.18 7.28 0.11 -1.23 -4.66 120.40 119.45 1u1d s VAL 221 Ca 0.01 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1u1d s VAL 221 Cb 0.08 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.65 1u1d s VAL 221 CO 0.44 -0.11 -0.17 0.21 -3.33 0.00 0.00 175.10 172.14 1u1d s ASN 222 N -0.33 3.37 0.40 3.54 3.84 -1.26 -0.81 114.94 123.69 1u1d s ASN 222 Ca -0.04 -0.59 0.28 0.00 0.21 0.00 0.00 52.86 52.72 1u1d s ASN 222 Cb -0.03 -1.53 1.12 0.00 -0.55 0.00 0.00 41.25 40.26 1u1d s ASN 222 CO 0.01 0.01 1.84 0.03 -2.79 0.00 0.00 177.10 176.19 1u1d h ARG 223 N 7.90 0.00 -0.00 0.43 2.47 -1.40 -2.58 114.38 121.19 1u1d h ARG 223 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1u1d h ARG 223 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1u1d h ARG 223 CO 0.62 0.00 -0.18 0.25 0.56 0.00 0.00 179.97 181.22 1u1d n THR 224 N -2.68 0.00 0.08 2.04 -2.24 -1.26 -4.63 114.28 105.59 1u1d n THR 224 Ca 0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1u1d n THR 224 Cb 0.29 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1u1d n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1d n GLN 225 N -1.20 0.00 -3.83 -0.78 10.64 -1.07 -5.11 117.38 116.02 1u1d n GLN 225 Ca 0.10 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.15 1u1d n GLN 225 Cb 0.31 -0.30 -0.12 0.00 -0.86 0.00 0.00 30.24 29.27 1u1d n GLN 225 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1u1d s GLN 226 N -2.00 0.21 -0.09 2.61 0.74 -1.00 -5.07 119.66 115.06 1u1d s GLN 226 Ca 0.00 0.12 0.06 0.00 0.05 0.00 0.00 55.36 55.59 1u1d s GLN 226 Cb 0.00 0.10 -0.24 0.00 1.10 0.00 0.00 33.01 33.97 1u1d s GLN 226 CO 0.00 -0.03 0.46 -1.91 -0.55 0.00 0.00 175.29 173.26 1u1d n GLU 227 N 2.81 0.68 -3.49 1.67 4.07 -1.26 -4.00 120.64 121.11 1u1d n GLU 227 Ca -0.14 0.25 -0.40 0.00 -0.06 0.00 0.00 57.16 56.82 1u1d n GLU 227 Cb 0.59 -1.73 -0.10 0.00 -0.06 0.00 0.00 31.44 30.14 1u1d n GLU 227 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1d s ILE 228 N -2.57 5.25 0.50 6.31 1.01 -1.26 -4.98 121.20 125.45 1u1d s ILE 228 Ca -0.13 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 1u1d s ILE 228 Cb 0.07 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1u1d s ILE 228 CO 0.79 0.02 0.86 -2.16 0.00 0.00 0.00 174.94 174.45 1u1d s PRO 229 N 1.84 3.64 0.00 2.79 0.04 -1.26 -5.11 135.00 136.94 1u1d s PRO 229 Ca 0.09 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1u1d s PRO 229 Cb -0.17 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1u1d s PRO 229 CO 0.11 -0.26 0.00 0.27 0.04 0.00 0.00 177.00 177.16 1u1d n ASN 230 N -2.10 0.00 -0.06 6.66 0.23 -1.26 -5.05 115.26 113.69 1u1d n ASN 230 Ca 0.03 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.98 1u1d n ASN 230 Cb 0.54 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.20 1u1d n ASN 230 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u1d n ALA 231 N -3.00 1.93 0.07 -2.53 0.00 -1.26 -4.53 120.51 111.19 1u1d n ALA 231 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 1u1d n ALA 231 Cb 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 1u1d n ALA 231 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1u1d h GLU 232 N -0.17 -0.16 -0.46 0.00 4.81 -2.00 -2.80 114.58 113.80 1u1d h GLU 232 Ca -0.28 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1u1d h GLU 232 Cb 1.35 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1u1d h GLU 232 CO -0.10 0.15 -0.00 1.15 -0.73 0.00 0.00 179.01 179.48 1u1d h THR 233 N -0.47 1.24 -0.30 0.32 2.02 -1.99 -2.03 112.91 111.70 1u1d h THR 233 Ca -0.02 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1u1d h THR 233 Cb 0.38 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1u1d h THR 233 CO 0.03 0.34 0.18 -0.03 0.37 0.00 0.00 175.52 176.42 1u1d h MET 234 N 0.71 0.40 -0.22 6.66 4.05 -1.79 -1.04 114.93 123.70 1u1d h MET 234 Ca 0.14 -0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.36 1u1d h MET 234 Cb 0.44 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1u1d h MET 234 CO 0.02 0.30 -0.55 0.87 0.23 0.00 0.00 176.91 177.78 1u1d h LYS 235 N 0.39 0.66 -0.39 0.39 6.56 -1.39 -2.86 116.57 119.92 1u1d h LYS 235 Ca 0.11 -0.42 -0.10 0.00 -1.06 0.00 0.00 60.65 59.19 1u1d h LYS 235 Cb -0.00 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 1u1d h LYS 235 CO -0.02 1.03 -0.15 0.37 -2.06 0.00 0.00 179.45 178.62 1u1d h GLN 236 N 0.50 0.71 -0.31 3.15 4.15 -1.24 -2.06 115.11 120.02 1u1d h GLN 236 Ca 0.01 -0.25 -0.12 0.00 0.77 0.00 0.00 58.65 59.06 1u1d h GLN 236 Cb 1.11 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 1u1d h GLN 236 CO 0.11 0.83 -0.31 1.15 -1.93 0.00 0.00 178.83 178.68 1u1d h THR 237 N 0.64 1.28 -0.27 2.39 2.02 -1.19 -1.14 112.91 116.65 1u1d h THR 237 Ca 0.10 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 1u1d h THR 237 Cb 0.62 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1u1d h THR 237 CO 0.04 0.46 0.05 -0.08 0.37 0.00 0.00 175.52 176.36 1u1d h GLU 238 N 0.57 0.44 -0.47 6.66 4.81 -1.30 -1.12 114.58 124.17 1u1d h GLU 238 Ca 0.07 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1u1d h GLU 238 Cb 0.81 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1u1d h GLU 238 CO 0.07 0.56 0.07 0.77 -0.73 0.00 0.00 179.01 179.75 1u1d h SER 239 N 0.26 0.68 -0.37 1.04 0.02 -1.33 -1.44 113.55 112.41 1u1d h SER 239 Ca 0.08 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1u1d h SER 239 Cb 0.32 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1u1d h SER 239 CO 0.00 0.70 0.15 -0.74 -1.14 0.00 0.00 176.83 175.80 1u1d h HIS 240 N 0.70 0.57 -0.33 3.45 -0.00 -1.02 -2.96 115.15 115.55 1u1d h HIS 240 Ca 0.15 -0.05 -0.16 0.00 -0.00 0.00 0.00 60.37 60.31 1u1d h HIS 240 Cb 0.32 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1u1d h HIS 240 CO 0.02 0.52 -0.43 0.00 -0.00 0.00 0.00 177.93 178.03 1u1d h ALA 241 N 0.99 0.60 -0.92 5.26 0.00 -0.99 -3.19 119.26 121.00 1u1d h ALA 241 Ca 0.12 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1u1d h ALA 241 Cb 0.20 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1u1d h ALA 241 CO -0.01 0.68 0.60 0.28 0.00 0.00 0.00 179.25 180.80 1u1d h VAL 242 N 0.68 1.16 -0.96 0.00 2.07 -1.26 -2.48 116.25 115.47 1u1d h VAL 242 Ca 0.05 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1u1d h VAL 242 Cb 1.02 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1u1d h VAL 242 CO 0.10 0.21 0.63 0.50 0.02 0.00 0.00 177.57 179.03 1u1d h LYS 243 N 1.17 1.19 -0.27 1.57 3.64 -1.51 -2.64 116.57 119.73 1u1d h LYS 243 Ca 0.37 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1u1d h LYS 243 Cb -0.01 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1u1d h LYS 243 CO -0.12 0.78 -0.10 0.82 -2.27 0.00 0.00 179.45 178.57 1u1d h ILE 244 N 1.22 1.29 0.00 2.00 2.04 -1.51 -2.36 117.51 120.19 1u1d h ILE 244 Ca 0.38 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 1u1d h ILE 244 Cb -0.01 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1u1d h ILE 244 CO -0.11 0.36 -0.26 1.62 0.00 0.00 0.00 178.15 179.76 1u1d h VAL 245 N 0.28 1.08 0.00 1.67 3.04 -1.27 0.22 116.25 121.27 1u1d h VAL 245 Ca 0.06 -0.94 -0.22 0.00 -1.01 0.00 0.00 66.70 64.60 1u1d h VAL 245 Cb 0.59 1.52 0.02 0.00 -2.01 0.00 0.00 31.29 31.41 1u1d h VAL 245 CO 0.03 0.26 -0.86 0.58 -1.01 0.00 0.00 177.57 176.57 1u1d h VAL 246 N 0.00 1.34 -0.34 1.51 2.07 -1.47 -2.57 116.25 116.78 1u1d h VAL 246 Ca -0.00 -2.18 -0.08 0.00 0.82 0.00 0.00 66.70 65.26 1u1d h VAL 246 Cb 0.50 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1u1d h VAL 246 CO 0.03 0.66 -0.12 -0.08 0.02 0.00 0.00 177.57 178.09 1u1d h GLU 247 N 0.19 0.59 -0.19 1.57 4.57 -0.91 -2.51 114.58 117.90 1u1d h GLU 247 Ca -0.11 -0.18 -0.14 0.00 -1.18 0.00 0.00 59.36 57.76 1u1d h GLU 247 Cb 1.54 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 1u1d h GLU 247 CO 0.17 0.70 -0.47 0.00 -1.18 0.00 0.00 179.01 178.23 1u1d h ALA 248 N 1.33 0.84 0.00 2.92 0.00 -0.65 -3.02 119.26 120.69 1u1d h ALA 248 Ca 0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1u1d h ALA 248 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1u1d h ALA 248 CO 0.03 0.66 -0.24 0.00 0.00 0.00 0.00 179.25 179.70 1u1d h ALA 249 N 1.11 1.56 -0.49 0.00 0.00 -1.11 -2.56 119.26 117.77 1u1d h ALA 249 Ca 0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1u1d h ALA 249 Cb 0.97 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1u1d h ALA 249 CO 0.09 0.31 0.04 0.00 0.00 0.00 0.00 179.25 179.68 1u1d h ARG 250 N 0.00 0.80 0.00 0.00 3.08 -1.32 -2.95 114.38 113.99 1u1d h ARG 250 Ca -0.00 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 1u1d h ARG 250 Cb 0.44 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1u1d h ARG 250 CO 0.03 0.78 -0.57 0.00 -1.07 0.00 0.00 179.97 179.14 1u1d h ARG 251 N 0.75 0.00 0.00 0.04 3.08 -1.49 -3.31 114.38 113.46 1u1d h ARG 251 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1u1d h ARG 251 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1u1d h ARG 251 CO 0.01 0.57 -0.70 1.28 -1.07 0.00 0.00 179.97 180.07 1u1d n LEU 252 N -3.48 0.61 0.00 3.04 4.77 -1.10 -5.08 117.00 115.76 1u1d n LEU 252 Ca 0.00 0.04 0.15 0.00 -0.03 0.00 0.00 56.01 56.17 1u1d n LEU 252 Cb 0.67 -0.18 0.91 0.00 -2.33 0.00 0.00 43.42 42.49 1u1d n LEU 252 CO 0.41 0.06 1.07 0.18 -1.33 0.00 0.00 177.39 177.78