#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1x s MET 1 N 0.00 0.65 -0.04 -0.41 1.00 -1.26 -2.98 119.30 116.26 1u1x s MET 1 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 55.69 55.31 1u1x s MET 1 Cb 0.00 0.28 0.02 0.00 0.00 0.00 0.00 34.83 35.13 1u1x s MET 1 CO 0.00 -0.18 -0.04 -1.01 0.00 0.00 0.00 175.02 173.79 1u1x s HIS 2 N -1.82 0.67 0.32 -0.03 4.02 -1.04 -4.92 115.29 112.48 1u1x s HIS 2 Ca -0.11 -0.17 -0.20 0.00 1.02 0.00 0.00 55.06 55.60 1u1x s HIS 2 Cb -0.04 -0.61 -0.09 0.00 -1.02 0.00 0.00 32.58 30.81 1u1x s HIS 2 CO 0.01 -0.17 0.84 -0.80 1.02 0.00 0.00 174.74 175.63 1u1x s ASN 3 N 0.90 7.03 0.14 1.40 0.01 -1.26 -0.40 114.94 122.76 1u1x s ASN 3 Ca -0.11 1.55 -0.00 0.00 -0.71 0.00 0.00 52.86 53.59 1u1x s ASN 3 Cb -0.14 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1u1x s ASN 3 CO -0.00 -0.14 0.04 -0.72 -1.51 0.00 0.00 177.10 174.77 1u1x s TYR 4 N -1.82 0.92 0.00 2.20 -0.85 -0.31 -1.74 117.35 115.76 1u1x s TYR 4 Ca 0.52 -1.19 0.01 0.00 -0.52 0.00 0.00 57.07 55.90 1u1x s TYR 4 Cb -0.14 -0.52 -0.01 0.00 0.38 0.00 0.00 41.96 41.67 1u1x s TYR 4 CO 0.19 -0.45 -0.04 0.08 -1.52 0.00 0.00 175.55 173.80 1u1x s VAL 5 N -3.96 0.32 -0.34 -3.49 1.01 -0.78 -1.62 120.40 111.55 1u1x s VAL 5 Ca 0.23 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1u1x s VAL 5 Cb 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 1u1x s VAL 5 CO 0.02 -0.01 0.20 -0.63 0.00 0.00 0.00 175.10 174.69 1u1x s ILE 6 N -0.33 4.91 -0.14 2.22 -1.09 0.08 -1.22 121.20 125.63 1u1x s ILE 6 Ca -0.01 -0.41 -0.04 0.00 -2.23 0.00 0.00 60.65 57.96 1u1x s ILE 6 Cb -0.03 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1u1x s ILE 6 CO -0.00 -0.03 0.00 -0.63 -1.23 0.00 0.00 174.94 173.06 1u1x s ILE 7 N 1.65 4.29 -0.55 2.92 -1.09 -0.38 -0.98 121.20 127.07 1u1x s ILE 7 Ca 0.05 -0.22 -0.21 0.00 -2.23 0.00 0.00 60.65 58.03 1u1x s ILE 7 Cb -0.18 -2.88 0.06 0.00 -1.58 0.00 0.00 42.46 37.88 1u1x s ILE 7 CO 0.08 0.52 0.79 -1.81 -1.23 0.00 0.00 174.94 173.29 1u1x s ASP 8 N 0.01 6.26 0.30 3.58 1.01 0.36 -0.81 116.67 127.37 1u1x s ASP 8 Ca 0.03 -0.74 -0.21 0.00 0.71 0.00 0.00 52.55 52.34 1u1x s ASP 8 Cb -0.13 -2.36 -0.09 0.00 1.01 0.00 0.00 42.92 41.35 1u1x s ASP 8 CO 0.02 -1.10 0.83 0.00 0.21 0.00 0.00 175.17 175.14 1u1x s ALA 9 N 3.30 3.28 -1.25 5.23 0.00 0.37 -2.33 121.76 130.36 1u1x s ALA 9 Ca 0.21 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 1u1x s ALA 9 Cb -0.17 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 19.98 1u1x s ALA 9 CO 0.14 0.25 1.08 1.19 0.00 0.00 0.00 175.76 178.42 1u1x n PHE 10 N 0.33 -2.53 -3.55 0.00 3.72 0.16 -1.41 117.46 114.18 1u1x n PHE 10 Ca 0.01 0.95 -0.11 0.00 -0.05 0.00 0.00 57.45 58.25 1u1x n PHE 10 Cb 0.51 -4.93 -0.04 0.00 -0.94 0.00 0.00 39.48 34.09 1u1x n PHE 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u1x s ALA 11 N -3.32 -1.21 -0.00 4.37 0.00 -1.03 -1.80 121.76 118.75 1u1x s ALA 11 Ca 0.35 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1u1x s ALA 11 Cb -0.16 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1u1x s ALA 11 CO 0.70 -0.68 0.97 0.43 0.00 0.00 0.00 175.76 177.18 1u1x n SER 12 N -0.22 1.85 -3.86 0.00 7.64 -1.26 -2.02 113.62 115.75 1u1x n SER 12 Ca -0.17 -1.95 -0.11 0.00 1.01 0.00 0.00 58.87 57.65 1u1x n SER 12 Cb 0.64 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.72 1u1x n SER 12 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1u1x s VAL 13 N -0.97 0.07 0.66 0.44 -7.23 -1.26 -4.98 120.40 107.12 1u1x s VAL 13 Ca 0.01 -0.57 -0.17 0.00 -1.81 0.00 0.00 61.98 59.44 1u1x s VAL 13 Cb 0.01 -0.40 -0.00 0.00 0.56 0.00 0.00 36.38 36.54 1u1x s VAL 13 CO 0.00 -0.31 1.22 -2.16 -0.31 0.00 0.00 175.10 173.54 1u1x s PRO 14 N -1.12 2.59 0.00 4.82 0.05 -1.26 -2.80 135.00 137.28 1u1x s PRO 14 Ca -0.12 1.82 0.00 0.00 0.05 0.00 0.00 61.00 62.75 1u1x s PRO 14 Cb -0.06 -1.88 0.00 0.00 0.05 0.00 0.00 34.50 32.60 1u1x s PRO 14 CO 0.01 -1.50 0.00 1.28 0.05 0.00 0.00 177.00 176.84 1u1x n LEU 15 N -2.09 0.02 -4.80 -3.56 4.77 -1.26 -5.02 117.00 105.06 1u1x n LEU 15 Ca 0.14 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 1u1x n LEU 15 Cb 0.50 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1u1x n LEU 15 CO 0.46 -0.01 -0.09 -1.61 -1.33 0.00 0.00 177.39 174.81 1u1x s GLU 16 N -0.02 2.30 1.91 3.23 2.02 -1.12 -4.88 118.70 122.13 1u1x s GLU 16 Ca 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.16 1u1x s GLU 16 Cb 0.00 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1u1x s GLU 16 CO 0.00 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.45 1u1x n GLY 17 N -1.40 -1.34 3.04 -1.39 0.00 -0.59 -4.71 105.19 98.80 1u1x n GLY 17 Ca -0.01 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 1u1x n GLY 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u1x s ASN 18 N -4.00 3.53 0.34 1.61 2.47 -0.50 -4.75 114.94 113.64 1u1x s ASN 18 Ca 0.00 -0.92 -0.28 0.00 0.42 0.00 0.00 52.86 52.08 1u1x s ASN 18 Cb 0.00 -1.36 -0.10 0.00 -1.45 0.00 0.00 41.25 38.34 1u1x s ASN 18 CO 0.00 -0.11 1.25 -2.84 -3.72 0.00 0.00 177.10 171.67 1u1x s PRO 19 N 1.31 4.32 -0.01 0.43 0.02 -1.26 -0.47 135.00 139.33 1u1x s PRO 19 Ca -0.01 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.12 1u1x s PRO 19 Cb -0.16 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 1u1x s PRO 19 CO -0.09 -0.17 -0.11 0.54 -0.33 0.00 0.00 177.00 176.84 1u1x s VAL 20 N -1.20 0.90 -0.27 3.83 0.11 0.01 -4.42 120.40 119.36 1u1x s VAL 20 Ca 0.50 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 1u1x s VAL 20 Cb -0.37 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 1u1x s VAL 20 CO 0.48 0.26 0.19 0.00 -3.33 0.00 0.00 175.10 172.70 1u1x s ALA 21 N -0.17 3.55 -0.31 1.54 0.00 -1.21 -1.25 121.76 123.92 1u1x s ALA 21 Ca 0.03 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 1u1x s ALA 21 Cb -0.05 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.65 1u1x s ALA 21 CO -0.00 -0.46 0.07 0.08 0.00 0.00 0.00 175.76 175.44 1u1x s VAL 22 N 1.59 3.66 -0.24 0.00 1.01 -0.35 -0.61 120.40 125.46 1u1x s VAL 22 Ca 0.07 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1u1x s VAL 22 Cb -0.15 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1u1x s VAL 22 CO 0.09 -0.05 0.17 -0.36 0.00 0.00 0.00 175.10 174.95 1u1x s PHE 23 N 1.41 3.31 0.50 5.22 0.08 0.31 -1.86 117.98 126.95 1u1x s PHE 23 Ca -0.01 0.23 -0.08 0.00 0.12 0.00 0.00 56.93 57.20 1u1x s PHE 23 Cb -0.18 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 1u1x s PHE 23 CO 0.02 0.04 0.84 -0.06 -0.10 0.00 0.00 175.22 175.96 1u1x s PHE 24 N 1.13 3.56 -1.28 0.36 0.08 -0.71 -1.20 117.98 119.91 1u1x s PHE 24 Ca 0.08 0.98 -0.25 0.00 0.12 0.00 0.00 56.93 57.86 1u1x s PHE 24 Cb -0.14 -2.43 0.03 0.00 -0.57 0.00 0.00 43.02 39.91 1u1x s PHE 24 CO 0.05 -0.33 0.55 -0.25 -0.10 0.00 0.00 175.22 175.14 1u1x n ASP 25 N -2.15 -3.11 -1.31 1.36 8.00 -1.22 -4.53 116.55 113.59 1u1x n ASP 25 Ca 0.02 -1.26 0.09 0.00 0.71 0.00 0.00 54.79 54.36 1u1x n ASP 25 Cb 0.55 -1.90 0.30 0.00 -0.02 0.00 0.00 41.12 40.04 1u1x n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u1x n ALA 26 N -4.86 2.76 0.25 2.24 0.00 0.18 -4.48 120.51 116.60 1u1x n ALA 26 Ca -0.16 -1.25 0.08 0.00 0.00 0.00 0.00 53.44 52.12 1u1x n ALA 26 Cb 0.60 -0.99 0.63 0.00 0.00 0.00 0.00 19.45 19.69 1u1x n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1u1x h ASP 27 N 3.59 0.00 0.49 0.00 3.32 -1.89 -1.99 116.42 119.94 1u1x h ASP 27 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u1x h ASP 27 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1u1x h ASP 27 CO 0.12 0.04 0.00 -0.90 -1.72 0.00 0.00 179.24 176.78 1u1x n ASP 28 N -4.42 0.00 -4.60 6.45 5.75 -1.26 -4.72 116.55 113.75 1u1x n ASP 28 Ca -0.03 -0.17 -0.40 0.00 -0.01 0.00 0.00 54.79 54.18 1u1x n ASP 28 Cb 0.13 -0.27 -0.08 0.00 -1.03 0.00 0.00 41.12 39.88 1u1x n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1u1x s LEU 29 N -2.53 4.11 0.71 -2.12 1.43 -0.75 -5.08 118.68 114.45 1u1x s LEU 29 Ca 0.28 0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.60 1u1x s LEU 29 Cb 0.19 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1u1x s LEU 29 CO 0.42 -0.34 1.27 -2.84 0.23 0.00 0.00 176.35 175.09 1u1x s PRO 30 N 2.34 2.21 0.31 1.29 0.02 -1.26 -4.75 135.00 135.16 1u1x s PRO 30 Ca 0.21 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.25 1u1x s PRO 30 Cb -0.16 -1.82 0.73 0.00 0.02 0.00 0.00 34.50 33.27 1u1x s PRO 30 CO 0.10 -1.83 1.81 -1.35 -0.33 0.00 0.00 177.00 175.40 1u1x h PRO 31 N 0.03 0.77 -0.88 5.54 0.10 -1.97 -0.30 132.00 135.28 1u1x h PRO 31 Ca -0.49 -0.05 0.07 0.00 0.10 0.00 0.00 66.00 65.63 1u1x h PRO 31 Cb 1.32 -0.17 -0.06 0.00 0.10 0.00 0.00 31.00 32.19 1u1x h PRO 31 CO 0.51 0.51 0.57 0.00 0.10 0.00 0.00 178.00 179.69 1u1x h ALA 32 N 1.60 1.57 -0.02 -0.75 0.00 -2.00 -0.28 119.26 119.38 1u1x h ALA 32 Ca 0.53 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.23 1u1x h ALA 32 Cb 0.78 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1u1x h ALA 32 CO -0.31 0.28 -0.74 1.96 0.00 0.00 0.00 179.25 180.44 1u1x h GLN 33 N 0.95 0.54 -0.72 0.00 1.08 -1.46 -2.83 115.11 112.67 1u1x h GLN 33 Ca 0.39 -0.55 0.12 0.00 -1.45 0.00 0.00 58.65 57.16 1u1x h GLN 33 Cb 0.27 0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 27.76 1u1x h GLN 33 CO -0.15 1.18 0.31 0.52 -0.95 0.00 0.00 178.83 179.74 1u1x h MET 34 N 0.12 0.47 -0.75 1.46 2.86 -0.79 0.04 114.93 118.35 1u1x h MET 34 Ca -0.09 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1u1x h MET 34 Cb 1.42 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.94 1u1x h MET 34 CO 0.15 0.31 0.31 0.37 1.06 0.00 0.00 176.91 179.11 1u1x h GLN 35 N 0.49 1.11 -0.63 1.72 5.75 -1.03 -1.49 115.11 121.02 1u1x h GLN 35 Ca 0.38 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.62 1u1x h GLN 35 Cb 0.51 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1u1x h GLN 35 CO -0.35 0.90 0.14 0.00 -2.65 0.00 0.00 178.83 176.88 1u1x h ARG 36 N 1.07 1.00 -0.41 1.69 3.08 -1.09 -2.21 114.38 117.50 1u1x h ARG 36 Ca 0.25 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1u1x h ARG 36 Cb 0.20 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1u1x h ARG 36 CO -0.02 0.89 -0.13 0.82 -1.07 0.00 0.00 179.97 180.45 1u1x h ILE 37 N 0.95 1.26 -0.48 2.04 2.04 -0.58 -0.62 117.51 122.12 1u1x h ILE 37 Ca 0.20 -1.19 -0.10 0.00 1.00 0.00 0.00 64.86 64.77 1u1x h ILE 37 Cb 0.35 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1u1x h ILE 37 CO 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 178.15 178.47 1u1x h ALA 38 N 1.17 0.94 -0.61 1.87 0.00 -0.97 -1.26 119.26 120.41 1u1x h ALA 38 Ca 0.11 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1u1x h ALA 38 Cb 0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1u1x h ALA 38 CO 0.04 0.62 0.06 -0.09 0.00 0.00 0.00 179.25 179.88 1u1x h ARG 39 N 0.78 1.03 -0.73 0.00 9.65 -0.91 -1.32 114.38 122.89 1u1x h ARG 39 Ca 0.13 -0.30 0.04 0.00 -1.10 0.00 0.00 59.98 58.75 1u1x h ARG 39 Cb 0.59 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 1u1x h ARG 39 CO 0.04 0.99 0.45 1.49 2.80 0.00 0.00 179.97 185.73 1u1x h GLU 40 N 0.93 0.83 -0.08 0.20 4.57 -0.73 -2.66 114.58 117.65 1u1x h GLU 40 Ca 0.18 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.15 1u1x h GLU 40 Cb 0.48 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1u1x h GLU 40 CO 0.02 0.55 -0.64 0.52 -1.18 0.00 0.00 179.01 178.28 1u1x h MET 41 N 0.85 0.29 -1.41 1.92 2.86 -1.09 -3.47 114.93 114.88 1u1x h MET 41 Ca 0.30 -0.21 -0.39 0.00 -2.06 0.00 0.00 59.70 57.34 1u1x h MET 41 Cb 0.08 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 31.65 1u1x h MET 41 CO -0.13 0.83 -0.40 -1.71 1.06 0.00 0.00 176.91 176.56 1u1x n ASN 42 N -3.86 -5.39 -4.91 1.22 5.15 -0.51 -4.99 115.26 101.97 1u1x n ASN 42 Ca -0.03 0.35 -0.27 0.00 -0.60 0.00 0.00 54.58 54.03 1u1x n ASN 42 Cb 0.64 -4.55 0.02 0.00 -0.53 0.00 0.00 39.78 35.36 1u1x n ASN 42 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1u1x s LEU 43 N -4.71 3.36 0.41 1.20 1.43 -1.26 -4.98 118.68 114.13 1u1x s LEU 43 Ca 0.00 0.83 0.12 0.00 -1.03 0.00 0.00 54.13 54.05 1u1x s LEU 43 Cb 0.00 -3.72 0.95 0.00 0.03 0.00 0.00 46.19 43.46 1u1x s LEU 43 CO 0.00 -0.90 1.97 0.28 0.23 0.00 0.00 176.35 177.94 1u1x h SER 44 N -0.06 0.44 -5.02 2.29 0.02 -1.94 -3.37 113.55 105.90 1u1x h SER 44 Ca -0.46 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 1u1x h SER 44 Cb 1.23 -0.09 -0.19 0.00 0.14 0.00 0.00 62.40 63.50 1u1x h SER 44 CO 0.61 0.27 -0.40 -1.61 -1.14 0.00 0.00 176.83 174.56 1u1x s GLU 45 N -5.46 0.61 0.13 3.45 8.01 -1.26 -4.15 118.70 120.03 1u1x s GLU 45 Ca -0.08 -0.46 0.10 0.00 0.01 0.00 0.00 54.97 54.54 1u1x s GLU 45 Cb 0.20 0.26 -0.04 0.00 -4.31 0.00 0.00 34.13 30.23 1u1x s GLU 45 CO 0.75 -0.17 -0.23 -1.12 0.01 0.00 0.00 175.26 174.51 1u1x s SER 46 N -1.69 3.58 0.22 -0.19 0.01 -0.01 -3.29 113.70 112.33 1u1x s SER 46 Ca -0.10 -0.68 0.10 0.00 1.31 0.00 0.00 55.95 56.57 1u1x s SER 46 Cb -0.04 -0.36 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 1u1x s SER 46 CO -0.00 0.17 -0.18 0.42 0.41 0.00 0.00 173.24 174.05 1u1x s THR 47 N -1.17 2.11 -0.06 1.44 -4.23 0.22 -1.41 115.64 112.53 1u1x s THR 47 Ca 0.16 -2.21 -0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1u1x s THR 47 Cb -0.10 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.65 1u1x s THR 47 CO 0.08 -0.41 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.36 1u1x s PHE 48 N -2.47 0.82 -0.37 3.99 0.08 -0.49 -0.53 117.98 119.01 1u1x s PHE 48 Ca 0.24 -0.26 -0.14 0.00 0.12 0.00 0.00 56.93 56.88 1u1x s PHE 48 Cb -0.04 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1u1x s PHE 48 CO 0.10 -0.29 0.29 0.08 -0.10 0.00 0.00 175.22 175.31 1u1x s VAL 49 N 1.42 5.25 0.27 -0.44 1.01 -0.35 -1.74 120.40 125.81 1u1x s VAL 49 Ca -0.03 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1u1x s VAL 49 Cb -0.13 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1u1x s VAL 49 CO -0.03 -0.15 0.02 -0.76 0.00 0.00 0.00 175.10 174.17 1u1x s LEU 50 N 1.78 3.25 0.44 3.92 1.43 0.83 -0.65 118.68 129.68 1u1x s LEU 50 Ca 0.07 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 1u1x s LEU 50 Cb -0.18 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.18 1u1x s LEU 50 CO 0.11 -0.01 1.43 0.29 0.23 0.00 0.00 176.35 178.40 1u1x n LYS 51 N -0.92 2.29 -2.28 1.70 4.76 -1.26 -0.59 118.16 121.86 1u1x n LYS 51 Ca -0.06 0.81 -0.34 0.00 -2.87 0.00 0.00 58.31 55.85 1u1x n LYS 51 Cb 0.59 -2.62 -0.01 0.00 -1.84 0.00 0.00 35.03 31.15 1u1x n LYS 51 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1u1x s PRO 52 N -2.38 3.52 0.00 1.97 0.04 -1.26 -4.02 135.00 132.87 1u1x s PRO 52 Ca 0.60 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1u1x s PRO 52 Cb -0.46 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 1u1x s PRO 52 CO 0.59 -0.67 0.17 0.54 0.04 0.00 0.00 177.00 177.67 1u1x n ARG 53 N -1.48 4.38 -1.74 4.56 5.12 -1.26 -4.84 116.66 121.39 1u1x n ARG 53 Ca 0.09 -0.17 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1u1x n ARG 53 Cb 0.52 -0.67 0.01 0.00 -1.16 0.00 0.00 32.46 31.17 1u1x n ARG 53 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1u1x n ASN 54 N -0.68 0.46 0.00 0.55 4.13 -1.26 -5.01 115.26 113.45 1u1x n ASN 54 Ca 0.00 -2.02 0.00 0.00 1.68 0.00 0.00 54.58 54.24 1u1x n ASN 54 Cb 0.00 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 1u1x n ASN 54 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1u1x n GLY 55 N 0.01 0.97 3.69 7.41 0.00 -1.26 -5.04 105.19 110.96 1u1x n GLY 55 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1u1x n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u1x s GLY 56 N -1.85 1.66 0.13 -0.02 0.00 -1.26 -5.02 107.32 100.97 1u1x s GLY 56 Ca 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1u1x s GLY 56 CO 0.00 -0.25 1.30 -0.55 0.00 0.00 0.00 173.10 173.61 1u1x h ASP 57 N -2.44 0.26 -4.85 1.64 3.32 -1.20 -3.44 116.42 109.71 1u1x h ASP 57 Ca -0.43 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.40 1u1x h ASP 57 Cb 1.26 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1u1x h ASP 57 CO 0.29 1.10 0.30 0.00 -1.72 0.00 0.00 179.24 179.22 1u1x s ALA 58 N -2.99 -1.70 -0.16 3.45 0.00 -1.22 -4.60 121.76 114.52 1u1x s ALA 58 Ca -0.03 0.81 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 1u1x s ALA 58 Cb 0.09 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1u1x s ALA 58 CO 0.84 -0.67 0.03 -1.17 0.00 0.00 0.00 175.76 174.79 1u1x s LEU 59 N -2.36 3.65 -0.17 0.00 2.96 0.25 -1.03 118.68 121.98 1u1x s LEU 59 Ca 0.00 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1u1x s LEU 59 Cb -0.01 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 1u1x s LEU 59 CO -0.08 0.21 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.42 1u1x s ILE 60 N 0.16 3.03 0.02 6.68 -1.09 0.26 -0.12 121.20 130.13 1u1x s ILE 60 Ca 0.03 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.79 1u1x s ILE 60 Cb -0.13 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 1u1x s ILE 60 CO 0.01 0.49 0.15 -0.13 -1.23 0.00 0.00 174.94 174.24 1u1x s ARG 61 N 0.83 3.29 -0.06 2.79 0.52 -0.71 -4.57 118.95 121.04 1u1x s ARG 61 Ca -0.04 -0.43 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 1u1x s ARG 61 Cb -0.15 -2.99 0.02 0.00 0.52 0.00 0.00 34.95 32.35 1u1x s ARG 61 CO 0.00 0.64 -0.10 0.42 0.02 0.00 0.00 175.30 176.29 1u1x s ILE 62 N -1.34 0.96 -0.02 1.52 1.01 -1.26 -1.39 121.20 120.67 1u1x s ILE 62 Ca 0.28 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1u1x s ILE 62 Cb -0.12 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.45 1u1x s ILE 62 CO 0.20 0.32 -0.06 -0.36 0.00 0.00 0.00 174.94 175.04 1u1x s PHE 63 N 0.82 0.67 0.94 3.97 0.08 -0.50 -1.20 117.98 122.76 1u1x s PHE 63 Ca -0.12 -0.15 -0.15 0.00 0.12 0.00 0.00 56.93 56.62 1u1x s PHE 63 Cb -0.15 -0.52 0.18 0.00 -0.57 0.00 0.00 43.02 41.96 1u1x s PHE 63 CO 0.02 -0.10 1.30 0.95 -0.10 0.00 0.00 175.22 177.29 1u1x s THR 64 N 0.38 2.00 0.65 0.64 -4.23 0.28 -0.83 115.64 114.53 1u1x s THR 64 Ca -0.05 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 60.81 1u1x s THR 64 Cb -0.09 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 71.12 1u1x s THR 64 CO -0.00 0.00 2.12 -0.65 -0.54 0.00 0.00 174.62 175.55 1u1x h PRO 65 N -1.57 0.00 0.00 3.99 0.11 -1.73 -3.33 132.00 129.48 1u1x h PRO 65 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1u1x h PRO 65 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1u1x h PRO 65 CO 0.42 0.00 -0.12 1.33 -0.21 0.00 0.00 178.00 179.42 1u1x n VAL 66 N -3.19 0.00 -3.70 3.15 0.24 -1.26 -4.24 118.33 109.33 1u1x n VAL 66 Ca -0.01 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 61.92 1u1x n VAL 66 Cb 0.26 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.44 1u1x n VAL 66 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1u1x s ASN 67 N -0.75 -0.18 0.40 -1.34 4.22 -1.25 -5.06 114.94 110.99 1u1x s ASN 67 Ca 0.00 -0.26 -0.20 0.00 -2.14 0.00 0.00 52.86 50.26 1u1x s ASN 67 Cb 0.00 0.42 -0.11 0.00 1.28 0.00 0.00 41.25 42.84 1u1x s ASN 67 CO 0.00 -0.74 0.91 -0.70 -2.04 0.00 0.00 177.10 174.53 1u1x s GLU 68 N -3.23 4.21 -0.02 3.55 2.12 -1.26 -0.56 118.70 123.51 1u1x s GLU 68 Ca -0.00 1.05 0.05 0.00 0.36 0.00 0.00 54.97 56.43 1u1x s GLU 68 Cb 0.01 -2.26 -0.01 0.00 0.26 0.00 0.00 34.13 32.13 1u1x s GLU 68 CO -0.08 0.02 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.98 1u1x s LEU 69 N -3.08 2.02 0.41 2.70 1.43 -0.34 -4.93 118.68 116.90 1u1x s LEU 69 Ca 0.60 -0.32 0.26 0.00 -1.03 0.00 0.00 54.13 53.64 1u1x s LEU 69 Cb -0.10 -0.92 0.74 0.00 0.03 0.00 0.00 46.19 45.94 1u1x s LEU 69 CO 0.14 0.21 1.74 1.55 0.23 0.00 0.00 176.35 180.23 1u1x h PRO 70 N 5.75 0.00 -2.51 1.29 0.13 -1.87 -3.37 132.00 131.42 1u1x h PRO 70 Ca -0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.74 1u1x h PRO 70 Cb 1.15 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 1u1x h PRO 70 CO 0.48 0.00 0.23 0.12 -0.23 0.00 0.00 178.00 178.60 1u1x s PHE 71 N -3.32 -0.57 -0.23 1.56 5.36 -1.26 -3.23 117.98 116.29 1u1x s PHE 71 Ca 0.06 0.66 -0.28 0.00 -0.96 0.00 0.00 56.93 56.40 1u1x s PHE 71 Cb 0.08 0.49 0.15 0.00 -0.34 0.00 0.00 43.02 43.40 1u1x s PHE 71 CO 0.60 -0.72 1.13 0.00 -1.46 0.00 0.00 175.22 174.77 1u1x s ALA 72 N -2.60 -2.01 -0.20 11.12 0.00 -1.26 -4.32 121.76 122.49 1u1x s ALA 72 Ca -0.04 1.72 -0.21 0.00 0.00 0.00 0.00 51.96 53.44 1u1x s ALA 72 Cb -0.01 -1.17 -0.20 0.00 0.00 0.00 0.00 23.12 21.74 1u1x s ALA 72 CO -0.03 -0.25 0.27 0.78 0.00 0.00 0.00 175.76 176.52 1u1x h GLY 73 N 2.95 0.02 1.01 0.00 0.00 -1.92 -3.07 103.07 102.05 1u1x h GLY 73 Ca -0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1u1x h GLY 73 CO 0.23 0.05 0.28 1.12 0.00 0.00 0.00 176.54 178.22 1u1x h HIS 74 N -0.93 0.98 -0.71 5.60 2.07 -1.87 -0.78 115.15 119.51 1u1x h HIS 74 Ca -0.33 -0.07 -0.03 0.00 -2.85 0.00 0.00 60.37 57.10 1u1x h HIS 74 Cb 1.34 -0.30 -0.03 0.00 2.57 0.00 0.00 27.41 30.99 1u1x h HIS 74 CO 0.11 0.76 0.34 -1.35 -3.07 0.00 0.00 177.93 174.72 1u1x h PRO 75 N 0.91 1.02 -0.18 5.12 0.11 -1.92 -1.60 132.00 135.46 1u1x h PRO 75 Ca 0.22 -0.15 -0.15 0.00 0.11 0.00 0.00 66.00 66.04 1u1x h PRO 75 Cb 0.18 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1u1x h PRO 75 CO -0.02 0.80 -0.51 -0.07 -0.21 0.00 0.00 178.00 177.99 1u1x h LEU 76 N 0.99 0.54 -0.07 2.35 3.38 -1.42 0.04 115.31 121.12 1u1x h LEU 76 Ca 0.24 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1u1x h LEU 76 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1u1x h LEU 76 CO -0.03 0.95 0.05 0.25 0.09 0.00 0.00 178.44 179.75 1u1x h LEU 77 N 0.39 0.08 -0.85 1.67 5.85 -0.97 0.36 115.31 121.85 1u1x h LEU 77 Ca 0.02 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1u1x h LEU 77 Cb 1.02 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1u1x h LEU 77 CO 0.09 0.07 0.29 1.23 -0.34 0.00 0.00 178.44 179.77 1u1x h GLY 78 N 0.09 1.22 1.00 3.75 0.00 -1.24 -0.75 103.07 107.14 1u1x h GLY 78 Ca 0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1u1x h GLY 78 CO -0.01 0.63 0.35 -0.84 0.00 0.00 0.00 176.54 176.68 1u1x h THR 79 N 1.10 1.19 -0.68 4.70 2.02 -0.65 -0.81 112.91 119.79 1u1x h THR 79 Ca 0.25 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1u1x h THR 79 Cb 0.23 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1u1x h THR 79 CO -0.02 0.20 0.39 0.00 0.37 0.00 0.00 175.52 176.46 1u1x h ALA 80 N 1.17 0.86 -0.54 6.16 0.00 -0.54 0.21 119.26 126.58 1u1x h ALA 80 Ca 0.22 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1u1x h ALA 80 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1u1x h ALA 80 CO -0.04 0.36 -0.04 0.82 0.00 0.00 0.00 179.25 180.35 1u1x h ILE 81 N 0.92 1.27 0.20 0.00 2.04 -0.83 0.10 117.51 121.21 1u1x h ILE 81 Ca 0.24 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1u1x h ILE 81 Cb 0.01 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1u1x h ILE 81 CO -0.04 0.42 -0.10 0.00 0.00 0.00 0.00 178.15 178.43 1u1x h ALA 82 N 0.94 -0.27 0.00 1.87 0.00 -0.84 -2.68 119.26 118.28 1u1x h ALA 82 Ca 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1u1x h ALA 82 Cb 0.59 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1u1x h ALA 82 CO 0.04 -0.57 -0.23 -0.07 0.00 0.00 0.00 179.25 178.41 1u1x h LEU 83 N -0.43 0.00 -1.91 0.00 3.38 -0.90 -2.70 115.31 112.74 1u1x h LEU 83 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1u1x h LEU 83 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1u1x h LEU 83 CO 0.05 0.23 -0.07 1.23 0.09 0.00 0.00 178.44 179.97 1u1x h GLY 84 N 1.02 0.00 2.00 0.83 0.00 -0.45 -2.13 103.07 104.35 1u1x h GLY 84 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u1x h GLY 84 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1u1x h ALA 85 N 1.93 1.62 -0.37 3.60 0.00 -1.35 -3.00 119.26 121.69 1u1x h ALA 85 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1x h ALA 85 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u1x h ALA 85 CO 0.01 -0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.98 1u1x n HIS 86 N -3.98 0.48 -3.82 0.00 -0.00 -0.80 -4.94 115.22 102.17 1u1x n HIS 86 Ca -0.03 -0.24 -0.11 0.00 -0.00 0.00 0.00 57.72 57.33 1u1x n HIS 86 Cb 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.99 1u1x n HIS 86 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1u1x s THR 87 N -1.52 0.09 -0.70 1.59 -1.32 -1.13 -5.03 115.64 107.61 1u1x s THR 87 Ca 0.36 -0.73 0.25 0.00 -1.21 0.00 0.00 61.69 60.36 1u1x s THR 87 Cb 0.20 -0.75 0.08 0.00 -1.51 0.00 0.00 72.50 70.52 1u1x s THR 87 CO 0.28 -0.40 1.40 0.47 -2.21 0.00 0.00 174.62 174.16 1u1x n ASP 88 N 0.97 0.67 -4.71 8.08 8.00 -1.26 -4.91 116.55 123.38 1u1x n ASP 88 Ca -0.20 0.15 -0.34 0.00 0.71 0.00 0.00 54.79 55.10 1u1x n ASP 88 Cb 0.58 0.04 0.11 0.00 -0.02 0.00 0.00 41.12 41.82 1u1x n ASP 88 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1u1x s ASN 89 N -4.09 3.98 -0.06 -2.24 0.01 -1.26 -4.95 114.94 106.32 1u1x s ASN 89 Ca 0.07 2.41 0.09 0.00 -0.71 0.00 0.00 52.86 54.72 1u1x s ASN 89 Cb 0.14 -2.59 -0.24 0.00 0.41 0.00 0.00 41.25 38.97 1u1x s ASN 89 CO 0.70 -2.41 0.58 1.41 -1.51 0.00 0.00 177.10 175.87 1u1x n HIS 90 N -2.85 1.03 -4.26 2.20 8.25 -1.26 -4.87 115.22 113.46 1u1x n HIS 90 Ca 0.14 0.33 -0.29 0.00 -0.26 0.00 0.00 57.72 57.64 1u1x n HIS 90 Cb 0.50 -1.18 -0.10 0.00 1.12 0.00 0.00 29.99 30.33 1u1x n HIS 90 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1u1x s ARG 91 N -2.59 1.99 0.01 -0.41 0.52 -1.26 -0.80 118.95 116.41 1u1x s ARG 91 Ca -0.09 -1.11 0.04 0.00 -0.52 0.00 0.00 55.73 54.06 1u1x s ARG 91 Cb 0.08 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 1u1x s ARG 91 CO 0.81 0.49 -0.13 -1.17 0.02 0.00 0.00 175.30 175.33 1u1x s LEU 92 N -2.24 2.09 -0.23 2.53 2.96 -0.44 -4.96 118.68 118.39 1u1x s LEU 92 Ca 0.20 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1u1x s LEU 92 Cb -0.11 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.04 1u1x s LEU 92 CO 0.12 0.09 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.80 1u1x s TYR 93 N -0.55 3.09 -0.33 5.38 2.02 -1.26 -0.45 117.35 125.25 1u1x s TYR 93 Ca 0.03 -2.05 -0.07 0.00 -0.37 0.00 0.00 57.07 54.60 1u1x s TYR 93 Cb -0.06 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1u1x s TYR 93 CO 0.00 -0.85 0.11 -0.51 -1.57 0.00 0.00 175.55 172.74 1u1x s LEU 94 N 1.18 4.25 0.31 -1.29 1.43 -0.46 -0.51 118.68 123.59 1u1x s LEU 94 Ca -0.04 -1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 51.78 1u1x s LEU 94 Cb -0.17 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 44.05 1u1x s LEU 94 CO -0.08 -0.30 1.36 -1.61 0.23 0.00 0.00 176.35 175.95 1u1x s GLU 95 N 1.45 4.31 0.27 1.70 2.02 -0.19 -0.08 118.70 128.18 1u1x s GLU 95 Ca 0.00 2.27 0.03 0.00 0.02 0.00 0.00 54.97 57.28 1u1x s GLU 95 Cb -0.19 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1u1x s GLU 95 CO 0.03 -0.28 0.18 0.95 0.02 0.00 0.00 175.26 176.16 1u1x s THR 96 N -0.81 0.10 0.65 3.63 -4.23 -0.14 -0.57 115.64 114.26 1u1x s THR 96 Ca 0.52 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.41 1u1x s THR 96 Cb -0.41 -2.51 0.40 0.00 1.34 0.00 0.00 72.50 71.33 1u1x s THR 96 CO 0.51 0.00 2.26 1.56 -0.54 0.00 0.00 174.62 178.40 1u1x h GLN 97 N 2.36 0.00 -0.50 3.99 4.20 -1.81 -2.29 115.11 121.06 1u1x h GLN 97 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1u1x h GLN 97 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1u1x h GLN 97 CO 0.48 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 177.31 1u1x n MET 98 N -3.26 2.27 0.00 1.46 2.81 -1.20 -5.05 117.12 114.14 1u1x n MET 98 Ca -0.02 -1.55 0.00 0.00 -1.81 0.00 0.00 57.70 54.31 1u1x n MET 98 Cb 0.15 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1u1x n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1x n GLY 99 N 0.95 -2.96 3.65 3.03 0.00 -0.86 -4.95 105.19 104.06 1u1x n GLY 99 Ca 0.14 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1u1x n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1x s THR 100 N -0.56 4.86 -0.22 2.61 2.01 -1.26 -0.97 115.64 122.11 1u1x s THR 100 Ca 0.00 1.55 -0.16 0.00 0.31 0.00 0.00 61.69 63.39 1u1x s THR 100 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1u1x s THR 100 CO 0.00 -0.03 0.42 -0.63 -0.69 0.00 0.00 174.62 173.69 1u1x s ILE 101 N 2.59 5.17 0.01 1.82 -1.09 0.88 -4.89 121.20 125.69 1u1x s ILE 101 Ca 0.35 0.73 -0.20 0.00 -2.23 0.00 0.00 60.65 59.30 1u1x s ILE 101 Cb -0.16 -3.75 -0.06 0.00 -1.58 0.00 0.00 42.46 36.92 1u1x s ILE 101 CO 0.09 0.21 0.57 0.00 -1.23 0.00 0.00 174.94 174.58 1u1x s ALA 102 N 1.60 3.53 0.07 9.38 0.00 -1.26 -1.35 121.76 133.73 1u1x s ALA 102 Ca 0.19 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.24 1u1x s ALA 102 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1u1x s ALA 102 CO 0.09 0.24 -0.20 -0.06 0.00 0.00 0.00 175.76 175.82 1u1x s PHE 103 N -0.46 1.75 -0.12 0.00 0.08 0.40 -2.33 117.98 117.30 1u1x s PHE 103 Ca 0.30 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.96 1u1x s PHE 103 Cb -0.18 -1.00 -0.01 0.00 -0.57 0.00 0.00 43.02 41.25 1u1x s PHE 103 CO 0.17 0.15 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.30 1u1x s GLU 104 N -1.56 3.32 -0.14 0.44 2.56 0.46 -1.33 118.70 122.44 1u1x s GLU 104 Ca 0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 54.97 54.24 1u1x s GLU 104 Cb -0.09 -2.59 -0.04 0.00 2.00 0.00 0.00 34.13 33.40 1u1x s GLU 104 CO 0.03 0.23 0.15 -0.51 -0.56 0.00 0.00 175.26 174.60 1u1x s LEU 105 N 0.30 4.33 -0.18 2.70 1.43 0.02 -0.91 118.68 126.38 1u1x s LEU 105 Ca -0.11 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1u1x s LEU 105 Cb -0.16 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1u1x s LEU 105 CO 0.06 0.33 -0.03 -0.70 0.23 0.00 0.00 176.35 176.23 1u1x s GLU 106 N -0.55 3.57 0.27 1.70 2.12 -0.20 -4.89 118.70 120.71 1u1x s GLU 106 Ca 0.13 -0.56 0.08 0.00 0.36 0.00 0.00 54.97 54.99 1u1x s GLU 106 Cb -0.12 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1u1x s GLU 106 CO 0.02 0.08 0.13 1.03 -0.54 0.00 0.00 175.26 175.99 1u1x s ARG 107 N 0.78 2.67 -0.24 4.30 0.52 -1.26 -0.78 118.95 124.94 1u1x s ARG 107 Ca -0.01 -1.22 -0.08 0.00 -0.52 0.00 0.00 55.73 53.90 1u1x s ARG 107 Cb -0.14 -2.40 0.11 0.00 0.52 0.00 0.00 34.95 33.04 1u1x s ARG 107 CO 0.02 0.35 0.51 -1.14 0.02 0.00 0.00 175.30 175.06 1u1x s GLN 108 N -3.79 0.43 5.64 3.54 0.74 -0.49 -4.87 119.66 120.85 1u1x s GLN 108 Ca 0.33 1.16 0.00 0.00 0.05 0.00 0.00 55.36 56.91 1u1x s GLN 108 Cb -0.07 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.54 1u1x s GLN 108 CO 0.23 -0.27 0.00 0.09 -0.55 0.00 0.00 175.29 174.79 1u1x n ASN 109 N 5.41 0.00 -2.95 6.67 3.02 -1.26 -3.17 115.26 122.98 1u1x n ASN 109 Ca -0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.06 1u1x n ASN 109 Cb 0.49 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.70 1u1x n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u1x n GLY 110 N 0.00 5.57 3.31 7.41 0.00 -1.26 -4.97 105.19 115.24 1u1x n GLY 110 Ca 0.00 -2.49 -0.09 0.00 0.00 0.00 0.00 46.02 43.43 1u1x n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u1x s SER 111 N -1.16 -0.48 -0.15 1.61 0.15 -1.19 -5.10 113.70 107.38 1u1x s SER 111 Ca 0.51 0.99 -0.29 0.00 0.70 0.00 0.00 55.95 57.86 1u1x s SER 111 Cb 0.43 1.05 -0.02 0.00 -1.71 0.00 0.00 66.02 65.76 1u1x s SER 111 CO -0.40 -0.21 1.37 -0.69 1.20 0.00 0.00 173.24 174.51 1u1x s VAL 112 N 1.85 4.09 -0.40 4.45 1.01 -1.26 -1.40 120.40 128.74 1u1x s VAL 112 Ca -0.07 1.31 0.09 0.00 0.00 0.00 0.00 61.98 63.31 1u1x s VAL 112 Cb -0.09 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 1u1x s VAL 112 CO -0.14 -0.14 0.38 2.30 0.00 0.00 0.00 175.10 177.50 1u1x n ILE 113 N 5.49 0.00 -3.70 2.22 -5.35 0.04 -4.94 119.36 113.11 1u1x n ILE 113 Ca 0.15 -0.27 -0.05 0.00 -0.27 0.00 0.00 62.75 62.30 1u1x n ILE 113 Cb 0.44 0.93 -0.02 0.00 -1.74 0.00 0.00 39.64 39.25 1u1x n ILE 113 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u1x s ALA 114 N -1.97 -1.63 0.14 -1.28 0.00 -1.15 -1.77 121.76 114.10 1u1x s ALA 114 Ca 0.03 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.10 1u1x s ALA 114 Cb 0.07 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.86 1u1x s ALA 114 CO 0.39 -0.96 0.40 0.00 0.00 0.00 0.00 175.76 175.59 1u1x s ALA 115 N -3.36 -0.83 0.00 0.00 0.00 -0.52 -1.04 121.76 116.01 1u1x s ALA 115 Ca 0.10 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 51.96 1u1x s ALA 115 Cb -0.02 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1u1x s ALA 115 CO -0.00 -0.67 -0.22 0.45 0.00 0.00 0.00 175.76 175.32 1u1x s SER 116 N -2.83 2.61 0.20 0.00 0.15 -0.08 -1.48 113.70 112.26 1u1x s SER 116 Ca 0.05 -0.45 0.10 0.00 0.70 0.00 0.00 55.95 56.36 1u1x s SER 116 Cb 0.02 -0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.01 1u1x s SER 116 CO -0.09 0.24 -0.21 0.00 1.20 0.00 0.00 173.24 174.37 1u1x s MET 117 N -0.75 1.46 -0.46 5.44 0.23 -0.06 -0.41 119.30 124.75 1u1x s MET 117 Ca 0.09 -1.53 -0.15 0.00 -1.03 0.00 0.00 55.69 53.07 1u1x s MET 117 Cb -0.09 -1.65 0.07 0.00 -1.53 0.00 0.00 34.83 31.64 1u1x s MET 117 CO 0.00 0.34 0.37 -0.51 -2.03 0.00 0.00 175.02 173.19 1u1x s ASP 118 N -2.81 6.09 0.71 -1.18 1.11 -0.99 -1.62 116.67 117.98 1u1x s ASP 118 Ca 0.21 -1.32 -0.11 0.00 0.18 0.00 0.00 52.55 51.51 1u1x s ASP 118 Cb -0.07 -2.16 0.02 0.00 1.07 0.00 0.00 42.92 41.78 1u1x s ASP 118 CO 0.09 -0.62 1.07 -1.10 1.18 0.00 0.00 175.17 175.79 1u1x s GLN 119 N 1.62 2.81 0.54 8.23 -0.21 0.10 -4.44 119.66 128.32 1u1x s GLN 119 Ca 0.04 0.79 -0.22 0.00 0.02 0.00 0.00 55.36 55.99 1u1x s GLN 119 Cb -0.24 -1.99 -0.05 0.00 1.00 0.00 0.00 33.01 31.73 1u1x s GLN 119 CO 0.06 -1.15 1.37 -2.30 -2.12 0.00 0.00 175.29 171.16 1u1x n PRO 120 N -3.14 1.74 -2.61 2.91 -0.02 -1.26 -4.45 135.00 128.17 1u1x n PRO 120 Ca 0.07 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 1u1x n PRO 120 Cb 0.55 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1u1x n PRO 120 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u1x s ILE 121 N -1.28 4.55 0.59 4.25 -1.09 -1.26 -4.91 121.20 122.06 1u1x s ILE 121 Ca 0.71 1.85 -0.14 0.00 -2.23 0.00 0.00 60.65 60.84 1u1x s ILE 121 Cb -0.42 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.13 1u1x s ILE 121 CO 0.50 -0.27 1.03 -2.16 -1.23 0.00 0.00 174.94 172.81 1u1x s PRO 122 N 3.41 3.49 0.32 2.79 0.04 -1.26 -4.89 135.00 138.90 1u1x s PRO 122 Ca 0.46 1.00 0.05 0.00 0.04 0.00 0.00 61.00 62.56 1u1x s PRO 122 Cb -0.15 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1u1x s PRO 122 CO 0.11 -0.66 0.46 0.95 0.04 0.00 0.00 177.00 177.90 1u1x s THR 123 N -2.75 4.53 0.12 1.26 -4.23 -0.90 -4.89 115.64 108.78 1u1x s THR 123 Ca 0.60 -0.91 -0.20 0.00 -1.18 0.00 0.00 61.69 60.00 1u1x s THR 123 Cb -0.13 -3.60 0.05 0.00 1.34 0.00 0.00 72.50 70.17 1u1x s THR 123 CO 0.42 -0.26 0.51 -1.66 -0.54 0.00 0.00 174.62 173.08 1u1x s TRP 124 N -2.16 -0.39 0.29 3.99 -2.14 -1.26 -0.90 118.94 116.37 1u1x s TRP 124 Ca 0.41 0.21 -0.16 0.00 2.66 0.00 0.00 56.10 59.23 1u1x s TRP 124 Cb -0.09 0.39 0.02 0.00 -3.10 0.00 0.00 33.47 30.69 1u1x s TRP 124 CO 0.31 -0.74 0.63 -0.08 -2.66 0.00 0.00 176.95 174.41 1u1x s THR 125 N -3.41 0.00 0.91 0.66 -1.32 -0.90 -5.00 115.64 106.58 1u1x s THR 125 Ca -0.00 -1.19 -0.11 0.00 -1.21 0.00 0.00 61.69 59.19 1u1x s THR 125 Cb 0.00 -2.27 0.14 0.00 -1.51 0.00 0.00 72.50 68.86 1u1x s THR 125 CO -0.10 0.00 1.12 0.00 -2.21 0.00 0.00 174.62 173.43 1u1x s ALA 126 N -3.61 1.41 -0.11 11.08 0.00 -1.26 -0.70 121.76 128.57 1u1x s ALA 126 Ca 0.17 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 1u1x s ALA 126 Cb -0.04 -3.38 -0.27 0.00 0.00 0.00 0.00 23.12 19.44 1u1x s ALA 126 CO 0.10 -2.66 0.55 1.25 0.00 0.00 0.00 175.76 174.99 1u1x h LEU 127 N -1.79 0.35 0.00 0.00 5.85 -1.73 -3.42 115.31 114.58 1u1x h LEU 127 Ca -0.46 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.42 1u1x h LEU 127 Cb 1.27 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1u1x h LEU 127 CO 0.45 1.60 0.00 0.61 -0.34 0.00 0.00 178.44 180.76 1u1x n GLY 128 N 1.73 0.74 2.75 3.75 0.00 -1.26 -4.93 105.19 107.96 1u1x n GLY 128 Ca -0.25 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 1u1x n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1x n ARG 129 N -2.15 1.47 -0.18 1.61 1.74 -1.26 -4.97 116.66 112.92 1u1x n ARG 129 Ca 0.00 -2.65 -0.10 0.00 -0.77 0.00 0.00 57.85 54.33 1u1x n ARG 129 Cb 0.08 -0.81 0.01 0.00 -1.02 0.00 0.00 32.46 30.72 1u1x n ARG 129 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1u1x h ASP 130 N 2.16 0.97 -0.41 0.55 5.19 -1.96 -2.13 116.42 120.80 1u1x h ASP 130 Ca -0.23 -0.34 -0.15 0.00 -0.62 0.00 0.00 57.03 55.69 1u1x h ASP 130 Cb 1.27 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.50 1u1x h ASP 130 CO 0.10 1.08 -0.31 0.00 -3.12 0.00 0.00 179.24 177.00 1u1x h ALA 131 N 0.93 0.65 -0.08 3.45 0.00 -1.97 -0.30 119.26 121.93 1u1x h ALA 131 Ca 0.14 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1u1x h ALA 131 Cb 0.62 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1u1x h ALA 131 CO 0.04 0.68 0.02 1.49 0.00 0.00 0.00 179.25 181.47 1u1x h GLU 132 N 0.79 0.14 -0.42 0.00 4.81 -1.93 -1.61 114.58 116.35 1u1x h GLU 132 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1u1x h GLU 132 Cb 0.89 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1u1x h GLU 132 CO 0.08 0.34 0.17 1.25 -0.73 0.00 0.00 179.01 180.12 1u1x h LEU 133 N -0.09 0.57 -1.20 1.64 5.85 -1.28 -1.81 115.31 118.99 1u1x h LEU 133 Ca 0.03 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1u1x h LEU 133 Cb 0.26 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1u1x h LEU 133 CO 0.00 0.57 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.49 1u1x h LEU 134 N 0.53 0.40 -0.54 2.25 3.38 -0.93 -0.04 115.31 120.37 1u1x h LEU 134 Ca 0.14 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1u1x h LEU 134 Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1u1x h LEU 134 CO -0.01 0.55 -0.39 0.50 0.09 0.00 0.00 178.44 179.17 1u1x h LYS 135 N 0.39 0.75 -0.80 1.13 3.64 -1.07 -0.42 116.57 120.18 1u1x h LYS 135 Ca 0.08 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1u1x h LYS 135 Cb 0.44 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1u1x h LYS 135 CO 0.02 1.01 0.42 0.00 -2.27 0.00 0.00 179.45 178.63 1u1x h ALA 136 N 0.94 1.23 0.00 5.00 0.00 -0.32 -2.44 119.26 123.67 1u1x h ALA 136 Ca 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1u1x h ALA 136 Cb 0.94 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1u1x h ALA 136 CO 0.09 0.61 -0.32 -0.07 0.00 0.00 0.00 179.25 179.56 1u1x h LEU 137 N 1.13 0.00 0.00 0.00 3.38 -0.74 -1.30 115.31 117.77 1u1x h LEU 137 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1u1x h LEU 137 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1u1x h LEU 137 CO -0.04 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1u1x n GLY 138 N 0.77 0.92 3.31 0.83 0.00 -0.25 -4.24 105.19 106.54 1u1x n GLY 138 Ca 0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1u1x n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u1x s ILE 139 N -2.00 0.60 -0.13 -0.61 -4.36 -0.70 -5.03 121.20 108.97 1u1x s ILE 139 Ca 0.00 -2.00 0.19 0.00 -0.26 0.00 0.00 60.65 58.58 1u1x s ILE 139 Cb 0.00 -2.59 -0.27 0.00 1.25 0.00 0.00 42.46 40.86 1u1x s ILE 139 CO 0.00 -0.05 0.30 -1.20 0.24 0.00 0.00 174.94 174.23 1u1x n SER 140 N -0.45 0.11 -3.03 4.36 7.64 -1.26 -4.14 113.62 116.85 1u1x n SER 140 Ca -0.01 0.05 -0.04 0.00 1.01 0.00 0.00 58.87 59.88 1u1x n SER 140 Cb 0.66 1.24 0.02 0.00 -1.01 0.00 0.00 64.21 65.12 1u1x n SER 140 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1u1x n ASP 141 N -2.60 -1.73 -4.62 6.43 5.75 -1.26 -5.04 116.55 113.48 1u1x n ASP 141 Ca -0.20 -1.99 -0.30 0.00 -0.01 0.00 0.00 54.79 52.28 1u1x n ASP 141 Cb 0.92 2.84 -0.09 0.00 -1.03 0.00 0.00 41.12 43.75 1u1x n ASP 141 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1u1x s SER 142 N -3.19 4.67 0.49 -1.12 0.15 -1.26 -4.90 113.70 108.54 1u1x s SER 142 Ca 0.20 -0.26 0.28 0.00 0.70 0.00 0.00 55.95 56.87 1u1x s SER 142 Cb -0.03 -1.02 1.17 0.00 -1.71 0.00 0.00 66.02 64.44 1u1x s SER 142 CO 0.06 0.20 1.92 0.71 1.20 0.00 0.00 173.24 177.34 1u1x h THR 143 N 3.23 0.37 -3.54 6.45 1.35 -1.72 -3.45 112.91 115.60 1u1x h THR 143 Ca -0.48 -0.82 -0.30 0.00 -0.55 0.00 0.00 66.41 64.26 1u1x h THR 143 Cb 1.17 1.61 -0.15 0.00 -1.73 0.00 0.00 68.15 69.05 1u1x h THR 143 CO 0.55 0.13 -0.69 -0.36 -0.25 0.00 0.00 175.52 174.90 1u1x s PHE 144 N -3.75 1.20 0.22 4.73 0.08 -1.26 -5.00 117.98 114.20 1u1x s PHE 144 Ca 0.00 -0.86 -0.32 0.00 0.12 0.00 0.00 56.93 55.88 1u1x s PHE 144 Cb 0.10 -0.65 -0.14 0.00 -0.57 0.00 0.00 43.02 41.76 1u1x s PHE 144 CO 0.59 -0.03 1.40 -2.30 -0.10 0.00 0.00 175.22 174.78 1u1x n PRO 145 N -0.19 1.93 -2.62 0.24 -0.02 -1.26 -4.63 135.00 128.44 1u1x n PRO 145 Ca -0.09 0.69 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 1u1x n PRO 145 Cb 0.61 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1u1x n PRO 145 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u1x s ILE 146 N 0.05 4.13 0.08 4.25 1.01 -1.26 -4.92 121.20 124.54 1u1x s ILE 146 Ca 0.70 0.94 0.08 0.00 0.00 0.00 0.00 60.65 62.37 1u1x s ILE 146 Cb -0.68 -4.66 -0.03 0.00 0.01 0.00 0.00 42.46 37.10 1u1x s ILE 146 CO 0.48 -1.20 -0.20 -1.61 0.00 0.00 0.00 174.94 172.42 1u1x s GLU 147 N 4.65 1.19 -0.16 2.79 2.02 -1.25 -1.99 118.70 125.96 1u1x s GLU 147 Ca 0.43 -1.05 -0.00 0.00 0.02 0.00 0.00 54.97 54.37 1u1x s GLU 147 Cb -0.08 -1.37 -0.00 0.00 0.10 0.00 0.00 34.13 32.77 1u1x s GLU 147 CO 0.27 0.33 -0.14 -1.50 0.02 0.00 0.00 175.26 174.25 1u1x s ILE 148 N -1.02 2.82 0.10 -1.63 2.07 0.12 -1.59 121.20 122.08 1u1x s ILE 148 Ca 0.06 -0.72 0.07 0.00 -1.41 0.00 0.00 60.65 58.65 1u1x s ILE 148 Cb -0.09 -2.20 -0.04 0.00 0.13 0.00 0.00 42.46 40.25 1u1x s ILE 148 CO 0.03 0.51 -0.08 -0.31 -1.91 0.00 0.00 174.94 173.18 1u1x s TYR 149 N 0.80 2.79 -0.13 3.50 2.02 -0.01 -2.11 117.35 124.21 1u1x s TYR 149 Ca -0.05 -0.13 -0.02 0.00 -0.37 0.00 0.00 57.07 56.50 1u1x s TYR 149 Cb -0.15 -1.45 0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1u1x s TYR 149 CO 0.00 0.44 0.03 -1.58 -1.57 0.00 0.00 175.55 172.87 1u1x s HIS 150 N -1.23 0.74 -0.08 2.71 5.65 -0.08 -0.73 115.29 122.27 1u1x s HIS 150 Ca 0.22 -0.45 0.12 0.00 0.25 0.00 0.00 55.06 55.20 1u1x s HIS 150 Cb -0.11 -0.87 0.19 0.00 -1.18 0.00 0.00 32.58 30.61 1u1x s HIS 150 CO 0.14 -0.46 1.10 0.27 -0.65 0.00 0.00 174.74 175.15 1u1x n ASN 151 N 5.13 1.39 0.00 9.88 0.23 -1.26 -2.12 115.26 128.51 1u1x n ASN 151 Ca -0.08 -2.69 0.00 0.00 -0.53 0.00 0.00 54.58 51.29 1u1x n ASN 151 Cb 0.49 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 1u1x n ASN 151 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u1x n GLY 152 N -0.81 1.40 3.73 4.83 0.00 -1.26 -4.72 105.19 108.36 1u1x n GLY 152 Ca 0.10 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1u1x n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u1x s PRO 153 N 0.00 -0.51 0.01 1.61 0.04 -1.26 -4.81 135.00 130.08 1u1x s PRO 153 Ca 0.00 -0.23 0.08 0.00 0.04 0.00 0.00 61.00 60.89 1u1x s PRO 153 Cb 0.00 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.82 1u1x s PRO 153 CO 0.00 -3.21 -0.25 1.03 0.04 0.00 0.00 177.00 174.61 1u1x s ARG 154 N -5.62 1.89 -0.08 4.56 0.52 -1.26 -4.37 118.95 114.59 1u1x s ARG 154 Ca 0.72 -0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1u1x s ARG 154 Cb -0.07 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.51 1u1x s ARG 154 CO 0.55 0.51 -0.04 -1.01 0.02 0.00 0.00 175.30 175.33 1u1x s HIS 155 N -0.67 1.04 0.10 -0.53 3.76 0.09 -1.05 115.29 118.04 1u1x s HIS 155 Ca 0.10 -0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 54.48 1u1x s HIS 155 Cb -0.10 -0.97 -0.06 0.00 1.11 0.00 0.00 32.58 32.56 1u1x s HIS 155 CO 0.00 -0.38 0.44 0.08 -0.85 0.00 0.00 174.74 174.03 1u1x s VAL 156 N 1.66 5.04 -0.11 -0.90 1.01 -0.52 -0.83 120.40 125.75 1u1x s VAL 156 Ca 0.02 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.55 1u1x s VAL 156 Cb -0.13 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1u1x s VAL 156 CO -0.05 0.26 -0.15 -0.36 0.00 0.00 0.00 175.10 174.80 1u1x s PHE 157 N -1.43 2.00 -0.18 5.22 0.08 -0.62 -1.07 117.98 121.99 1u1x s PHE 157 Ca 0.35 -0.95 0.01 0.00 0.12 0.00 0.00 56.93 56.46 1u1x s PHE 157 Cb -0.14 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 1u1x s PHE 157 CO 0.18 -0.49 -0.18 0.08 -0.10 0.00 0.00 175.22 174.72 1u1x s VAL 158 N 0.99 2.26 0.08 -0.44 1.01 -0.42 -3.87 120.40 120.01 1u1x s VAL 158 Ca -0.06 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 1u1x s VAL 158 Cb -0.15 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.21 1u1x s VAL 158 CO -0.02 0.53 0.64 -0.83 0.00 0.00 0.00 175.10 175.42 1u1x s GLY 159 N 1.18 2.73 -0.00 4.51 0.00 -1.26 -1.70 107.32 112.78 1u1x s GLY 159 Ca 0.02 0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.92 1u1x s GLY 159 CO -0.09 0.66 -0.16 1.08 0.00 0.00 0.00 173.10 174.60 1u1x s LEU 160 N -0.86 2.67 0.37 0.66 2.01 0.41 -1.86 118.68 122.09 1u1x s LEU 160 Ca 0.32 -0.31 0.25 0.00 0.01 0.00 0.00 54.13 54.40 1u1x s LEU 160 Cb -0.20 -1.55 0.66 0.00 0.01 0.00 0.00 46.19 45.11 1u1x s LEU 160 CO 0.21 0.30 1.72 1.55 1.01 0.00 0.00 176.35 181.13 1u1x h PRO 161 N 4.94 0.00 -3.92 1.29 0.13 -1.95 -3.40 132.00 129.09 1u1x h PRO 161 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1u1x h PRO 161 Cb 1.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1u1x h PRO 161 CO 0.49 0.00 -0.30 -1.54 -0.23 0.00 0.00 178.00 176.42 1u1x s SER 162 N -5.51 0.01 0.21 1.44 1.04 -1.26 -4.91 113.70 104.72 1u1x s SER 162 Ca 0.07 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 1u1x s SER 162 Cb 0.08 0.47 0.17 0.00 0.10 0.00 0.00 66.02 66.84 1u1x s SER 162 CO 0.61 -0.96 1.56 0.40 0.98 0.00 0.00 173.24 175.83 1u1x h ILE 163 N 2.47 1.31 -0.60 -1.02 2.04 -1.91 -1.45 117.51 118.35 1u1x h ILE 163 Ca -0.31 -1.66 0.04 0.00 1.00 0.00 0.00 64.86 63.93 1u1x h ILE 163 Cb 1.24 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.91 1u1x h ILE 163 CO 0.45 0.52 0.34 0.44 0.00 0.00 0.00 178.15 179.90 1u1x h ASP 164 N 0.46 0.53 -0.53 1.72 5.19 -1.99 0.54 116.42 122.35 1u1x h ASP 164 Ca 0.03 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1u1x h ASP 164 Cb 0.98 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 1u1x h ASP 164 CO 0.09 0.36 0.21 0.00 -3.12 0.00 0.00 179.24 176.79 1u1x h ALA 165 N 1.29 0.68 0.09 3.45 0.00 -1.88 -1.22 119.26 121.67 1u1x h ALA 165 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1u1x h ALA 165 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1u1x h ALA 165 CO -0.14 0.29 -0.10 1.25 0.00 0.00 0.00 179.25 180.55 1u1x h LEU 166 N 0.71 -0.27 -2.37 0.00 5.85 -0.82 -2.75 115.31 115.66 1u1x h LEU 166 Ca 0.18 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1u1x h LEU 166 Cb 0.19 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1u1x h LEU 166 CO -0.02 -0.15 -0.04 0.28 -0.34 0.00 0.00 178.44 178.17 1u1x h SER 167 N -0.22 0.00 1.70 1.25 0.02 -0.74 -2.59 113.55 112.97 1u1x h SER 167 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1u1x h SER 167 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1u1x h SER 167 CO -0.04 0.04 -0.02 0.00 -1.14 0.00 0.00 176.83 175.67 1u1x h ALA 168 N 1.96 0.99 -2.98 3.77 0.00 -0.93 -3.46 119.26 118.61 1u1x h ALA 168 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1u1x h ALA 168 Cb 0.15 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.05 1u1x h ALA 168 CO 0.00 0.00 0.72 -0.51 0.00 0.00 0.00 179.25 179.46 1u1x s LEU 169 N -5.29 4.15 -0.41 0.00 1.43 -0.98 -4.96 118.68 112.62 1u1x s LEU 169 Ca 0.09 2.95 0.04 0.00 -1.03 0.00 0.00 54.13 56.17 1u1x s LEU 169 Cb 0.09 -3.89 0.17 0.00 0.03 0.00 0.00 46.19 42.59 1u1x s LEU 169 CO 0.63 -1.13 0.36 -1.00 0.23 0.00 0.00 176.35 175.44 1u1x s HIS 170 N -1.19 0.67 0.77 0.29 3.76 -1.26 -5.10 115.29 113.24 1u1x s HIS 170 Ca 0.60 -1.96 -0.11 0.00 -0.15 0.00 0.00 55.06 53.44 1u1x s HIS 170 Cb -0.44 -0.76 0.06 0.00 1.11 0.00 0.00 32.58 32.55 1u1x s HIS 170 CO 0.58 -0.88 1.09 -2.14 -0.85 0.00 0.00 174.74 172.53 1u1x s PRO 171 N 0.36 2.25 -0.84 8.40 0.02 -1.26 -4.81 135.00 139.12 1u1x s PRO 171 Ca 0.30 1.14 -0.20 0.00 0.02 0.00 0.00 61.00 62.26 1u1x s PRO 171 Cb -0.01 -1.90 0.11 0.00 0.02 0.00 0.00 34.50 32.72 1u1x s PRO 171 CO -0.15 -1.64 1.06 0.34 -0.33 0.00 0.00 177.00 176.28 1u1x s ASP 172 N -3.42 6.49 0.21 2.53 -1.08 -0.49 -4.95 116.67 115.96 1u1x s ASP 172 Ca 0.61 -1.75 -0.12 0.00 -0.52 0.00 0.00 52.55 50.77 1u1x s ASP 172 Cb -0.17 -2.40 0.27 0.00 -1.46 0.00 0.00 42.92 39.17 1u1x s ASP 172 CO 0.56 -1.16 1.65 -0.74 0.52 0.00 0.00 175.17 176.00 1u1x h HIS 173 N 9.04 -0.16 -0.51 -5.34 -0.00 -1.94 -0.53 115.15 115.71 1u1x h HIS 173 Ca 0.02 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1u1x h HIS 173 Cb 1.04 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.59 1u1x h HIS 173 CO 1.10 -0.21 0.31 -0.09 -0.00 0.00 0.00 177.93 179.03 1u1x h ARG 174 N 0.07 0.70 -0.25 5.26 2.43 -1.98 -1.59 114.38 119.01 1u1x h ARG 174 Ca 0.31 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1u1x h ARG 174 Cb 0.50 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1u1x h ARG 174 CO -0.57 0.51 -0.20 0.00 -1.51 0.00 0.00 179.97 178.19 1u1x h ALA 175 N 1.15 1.18 0.00 2.80 0.00 -1.76 -1.09 119.26 121.54 1u1x h ALA 175 Ca 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1u1x h ALA 175 Cb -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u1x h ALA 175 CO -0.03 0.52 -0.08 -0.07 0.00 0.00 0.00 179.25 179.59 1u1x h LEU 176 N 0.41 0.00 -2.50 0.00 3.38 -0.35 -2.50 115.31 113.75 1u1x h LEU 176 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1u1x h LEU 176 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1u1x h LEU 176 CO 0.04 0.08 -0.01 0.28 0.09 0.00 0.00 178.44 178.92 1u1x h SER 177 N 0.00 0.00 0.33 -0.43 0.02 -0.26 -1.11 113.55 112.10 1u1x h SER 177 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1u1x h SER 177 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1u1x h SER 177 CO 0.01 0.01 0.00 -3.20 -1.14 0.00 0.00 176.83 172.51 1u1x n ASN 178 N -3.17 0.00 -4.28 3.07 5.15 -0.94 -4.33 115.26 110.76 1u1x n ASN 178 Ca -0.02 0.22 -0.42 0.00 -0.60 0.00 0.00 54.58 53.75 1u1x n ASN 178 Cb 0.14 -0.35 -0.08 0.00 -0.53 0.00 0.00 39.78 38.96 1u1x n ASN 178 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1u1x s PHE 179 N -2.70 3.33 0.29 1.20 0.08 -0.42 -5.07 117.98 114.68 1u1x s PHE 179 Ca 0.11 -1.47 -0.13 0.00 0.12 0.00 0.00 56.93 55.56 1u1x s PHE 179 Cb 0.09 -3.27 -0.08 0.00 -0.57 0.00 0.00 43.02 39.18 1u1x s PHE 179 CO 0.22 -0.90 0.67 -1.01 -0.10 0.00 0.00 175.22 174.10 1u1x s HIS 180 N 1.48 3.40 -1.43 0.36 3.76 -1.26 -4.25 115.29 117.34 1u1x s HIS 180 Ca 0.04 1.11 -0.06 0.00 -0.15 0.00 0.00 55.06 56.00 1u1x s HIS 180 Cb -0.25 -2.45 0.04 0.00 1.11 0.00 0.00 32.58 31.03 1u1x s HIS 180 CO 0.02 0.16 0.70 -3.47 -0.85 0.00 0.00 174.74 171.31 1u1x n ASP 181 N -0.26 -2.09 -3.69 1.40 2.03 -1.26 -4.97 116.55 107.71 1u1x n ASP 181 Ca 0.02 -0.88 -0.08 0.00 0.52 0.00 0.00 54.79 54.38 1u1x n ASP 181 Cb 0.53 -3.61 -0.02 0.00 -0.72 0.00 0.00 41.12 37.30 1u1x n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u1x s MET 182 N -6.40 1.44 -0.04 -0.67 0.23 -1.26 -4.06 119.30 108.54 1u1x s MET 182 Ca 0.25 -0.72 0.05 0.00 -1.03 0.00 0.00 55.69 54.24 1u1x s MET 182 Cb -0.13 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 33.69 1u1x s MET 182 CO 0.85 -0.65 -0.19 0.00 -2.03 0.00 0.00 175.02 173.00 1u1x s ALA 183 N -3.66 2.46 -0.41 3.16 0.00 -0.22 -4.52 121.76 118.57 1u1x s ALA 183 Ca 0.08 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 1u1x s ALA 183 Cb -0.03 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1u1x s ALA 183 CO -0.01 0.55 0.38 0.42 0.00 0.00 0.00 175.76 177.10 1u1x s ILE 184 N -0.68 5.15 -0.26 0.00 -1.09 -0.02 -1.43 121.20 122.87 1u1x s ILE 184 Ca 0.11 -0.44 -0.07 0.00 -2.23 0.00 0.00 60.65 58.03 1u1x s ILE 184 Cb -0.10 -3.99 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 1u1x s ILE 184 CO -0.00 -0.36 0.05 0.20 -1.23 0.00 0.00 174.94 173.60 1u1x s ASN 185 N 1.76 4.98 -0.16 3.58 0.01 -0.23 -1.50 114.94 123.37 1u1x s ASN 185 Ca 0.09 -0.38 -0.04 0.00 -0.71 0.00 0.00 52.86 51.83 1u1x s ASN 185 Cb -0.18 -1.88 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 1u1x s ASN 185 CO 0.12 -0.08 -0.04 0.00 -1.51 0.00 0.00 177.10 175.60 1u1x s PHE 187 N 0.45 1.16 0.02 0.00 -0.12 -0.69 -0.58 117.98 118.23 1u1x s PHE 187 Ca -0.04 -0.78 -0.28 0.00 -0.05 0.00 0.00 56.93 55.78 1u1x s PHE 187 Cb -0.14 -0.61 0.07 0.00 -0.63 0.00 0.00 43.02 41.71 1u1x s PHE 187 CO 0.03 0.02 0.66 0.00 -0.05 0.00 0.00 175.22 175.88 1u1x s ALA 188 N -3.28 -1.71 0.00 1.99 0.00 -0.73 -0.44 121.76 117.58 1u1x s ALA 188 Ca 0.14 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1u1x s ALA 188 Cb 0.02 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1u1x s ALA 188 CO -0.01 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1u1x n GLY 189 N 0.45 0.38 3.64 0.00 0.00 -1.26 -0.52 105.19 107.88 1u1x n GLY 189 Ca -0.18 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 1u1x n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1x s ALA 190 N -1.00 -2.05 0.00 4.61 0.00 -0.37 -5.00 121.76 117.95 1u1x s ALA 190 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1u1x s ALA 190 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1u1x s ALA 190 CO 0.00 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1u1x n GLY 191 N 1.96 2.74 0.65 0.00 0.00 -1.26 -1.98 105.19 107.29 1u1x n GLY 191 Ca -0.12 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1u1x n GLY 191 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1u1x n ARG 192 N 7.52 1.91 -3.79 1.61 0.63 -1.26 -4.84 116.66 118.44 1u1x n ARG 192 Ca 0.00 -1.32 -0.28 0.00 -0.92 0.00 0.00 57.85 55.33 1u1x n ARG 192 Cb 0.00 -1.47 -0.16 0.00 0.45 0.00 0.00 32.46 31.27 1u1x n ARG 192 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1u1x s ARG 193 N -2.00 0.90 0.07 -0.14 1.81 -0.84 -0.96 118.95 117.79 1u1x s ARG 193 Ca 0.34 -0.55 0.07 0.00 -1.72 0.00 0.00 55.73 53.87 1u1x s ARG 193 Cb 0.21 -2.21 -0.03 0.00 -0.45 0.00 0.00 34.95 32.46 1u1x s ARG 193 CO 0.32 -0.62 -0.18 -1.58 -0.68 0.00 0.00 175.30 172.56 1u1x s TRP 194 N 1.75 1.58 0.03 -0.53 0.52 -0.72 -1.23 118.94 120.33 1u1x s TRP 194 Ca -0.02 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 55.72 1u1x s TRP 194 Cb -0.17 -0.90 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 1u1x s TRP 194 CO -0.07 0.12 -0.00 1.03 0.02 0.00 0.00 176.95 178.04 1u1x s ARG 195 N -1.58 2.70 0.03 4.98 1.81 0.33 -0.72 118.95 126.50 1u1x s ARG 195 Ca 0.04 -0.69 0.01 0.00 -1.72 0.00 0.00 55.73 53.37 1u1x s ARG 195 Cb -0.09 -2.62 -0.02 0.00 -0.45 0.00 0.00 34.95 31.77 1u1x s ARG 195 CO 0.03 0.60 -0.05 0.45 -0.68 0.00 0.00 175.30 175.64 1u1x s SER 196 N -1.77 0.54 -0.03 0.23 0.15 -0.05 -1.78 113.70 110.98 1u1x s SER 196 Ca 0.21 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.37 1u1x s SER 196 Cb -0.12 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1u1x s SER 196 CO 0.12 -0.24 -0.09 -0.13 1.20 0.00 0.00 173.24 174.10 1u1x s ARG 197 N -1.48 1.10 -0.02 5.44 0.52 0.26 -3.72 118.95 121.04 1u1x s ARG 197 Ca -0.13 -0.31 0.07 0.00 -0.52 0.00 0.00 55.73 54.84 1u1x s ARG 197 Cb -0.10 -1.00 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 1u1x s ARG 197 CO -0.00 0.09 -0.24 1.41 0.02 0.00 0.00 175.30 176.58 1u1x s MET 198 N 0.33 2.17 -0.03 3.54 1.75 -1.26 -0.68 119.30 125.12 1u1x s MET 198 Ca -0.06 -0.90 0.02 0.00 -1.25 0.00 0.00 55.69 53.51 1u1x s MET 198 Cb -0.10 -2.11 0.01 0.00 2.84 0.00 0.00 34.83 35.47 1u1x s MET 198 CO 0.01 0.57 -0.08 -0.06 -0.65 0.00 0.00 175.02 174.81 1u1x s PHE 199 N -0.65 0.87 -0.45 4.11 0.08 -0.56 -1.46 117.98 119.91 1u1x s PHE 199 Ca 0.10 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 56.98 1u1x s PHE 199 Cb -0.10 -0.64 0.19 0.00 -0.57 0.00 0.00 43.02 41.89 1u1x s PHE 199 CO -0.00 -0.11 0.76 0.45 -0.10 0.00 0.00 175.22 176.21 1u1x s SER 200 N 0.31 -1.29 0.35 1.36 0.15 -0.86 -0.84 113.70 112.89 1u1x s SER 200 Ca -0.05 -1.18 0.06 0.00 0.70 0.00 0.00 55.95 55.49 1u1x s SER 200 Cb -0.09 1.67 0.75 0.00 -1.71 0.00 0.00 66.02 66.63 1u1x s SER 200 CO 0.00 -0.08 1.92 1.55 1.20 0.00 0.00 173.24 177.83 1u1x h PRO 201 N 5.61 0.74 -0.64 5.44 0.13 -1.85 -1.15 132.00 140.27 1u1x h PRO 201 Ca 0.04 -0.04 0.14 0.00 -0.87 0.00 0.00 66.00 65.27 1u1x h PRO 201 Cb 1.15 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 1u1x h PRO 201 CO 0.02 0.49 0.44 0.00 -0.23 0.00 0.00 178.00 178.72 1u1x h ALA 202 N 1.59 2.23 -0.56 -0.56 0.00 -1.79 -2.25 119.26 117.92 1u1x h ALA 202 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1u1x h ALA 202 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1u1x h ALA 202 CO -0.14 -0.40 0.00 0.66 0.00 0.00 0.00 179.25 179.37 1u1x n TYR 203 N -4.44 1.03 -2.34 0.00 4.01 -0.56 -4.77 117.16 110.09 1u1x n TYR 203 Ca 0.12 -0.57 -0.08 0.00 -0.16 0.00 0.00 57.90 57.20 1u1x n TYR 203 Cb 0.52 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1u1x n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u1x n GLY 204 N 0.98 0.12 2.84 2.72 0.00 -0.81 -4.50 105.19 106.54 1u1x n GLY 204 Ca 0.21 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1u1x n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1x s VAL 205 N -2.58 0.47 0.08 1.61 0.11 -0.55 -4.75 120.40 114.81 1u1x s VAL 205 Ca 0.05 -0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.82 1u1x s VAL 205 Cb -0.02 -0.56 -0.16 0.00 -1.53 0.00 0.00 36.38 34.11 1u1x s VAL 205 CO 0.07 0.24 1.70 0.58 -3.33 0.00 0.00 175.10 174.36 1u1x h VAL 206 N 6.22 0.75 -3.08 2.04 2.07 -1.93 -2.26 116.25 120.07 1u1x h VAL 206 Ca -0.30 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.96 1u1x h VAL 206 Cb 1.14 0.75 -0.34 0.00 -1.52 0.00 0.00 31.29 31.33 1u1x h VAL 206 CO 0.38 0.00 -0.59 -0.70 0.02 0.00 0.00 177.57 176.68 1u1x s GLU 207 N -6.14 0.09 0.15 1.57 2.12 -1.26 -3.79 118.70 111.44 1u1x s GLU 207 Ca -0.15 0.55 -0.10 0.00 0.36 0.00 0.00 54.97 55.63 1u1x s GLU 207 Cb 0.05 -0.19 -0.06 0.00 0.26 0.00 0.00 34.13 34.19 1u1x s GLU 207 CO 0.65 -0.25 0.48 0.34 -0.54 0.00 0.00 175.26 175.93 1u1x s ASP 208 N 1.94 6.66 0.12 -1.70 2.15 -0.54 -5.00 116.67 120.30 1u1x s ASP 208 Ca -0.02 0.88 -0.06 0.00 0.43 0.00 0.00 52.55 53.79 1u1x s ASP 208 Cb -0.12 -2.21 -0.13 0.00 -0.30 0.00 0.00 42.92 40.17 1u1x s ASP 208 CO -0.07 0.06 1.27 0.00 -0.17 0.00 0.00 175.17 176.27 1u1x h ALA 209 N 3.19 0.31 -1.30 3.66 0.00 -1.89 -3.36 119.26 119.87 1u1x h ALA 209 Ca -0.48 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 53.70 1u1x h ALA 209 Cb 1.18 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1u1x h ALA 209 CO 0.68 0.81 -0.37 0.00 0.00 0.00 0.00 179.25 180.37 1u1x s ALA 210 N -3.22 -1.88 -0.79 0.00 0.00 -1.26 -3.09 121.76 111.52 1u1x s ALA 210 Ca -0.06 1.27 -0.09 0.00 0.00 0.00 0.00 51.96 53.08 1u1x s ALA 210 Cb 0.08 -2.11 0.21 0.00 0.00 0.00 0.00 23.12 21.30 1u1x s ALA 210 CO 0.88 -1.46 0.69 0.99 0.00 0.00 0.00 175.76 176.86 1u1x s THR 211 N 2.74 4.94 0.32 0.00 2.01 -1.26 -4.53 115.64 119.86 1u1x s THR 211 Ca 0.16 -2.82 0.04 0.00 0.31 0.00 0.00 61.69 59.38 1u1x s THR 211 Cb -0.14 -4.09 0.13 0.00 0.01 0.00 0.00 72.50 68.41 1u1x s THR 211 CO -0.22 -1.00 1.82 1.23 -0.69 0.00 0.00 174.62 175.77 1u1x h GLY 212 N 7.31 0.53 2.00 4.40 0.00 -1.95 -0.88 103.07 114.48 1u1x h GLY 212 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1u1x h GLY 212 CO 0.76 0.33 0.00 -1.14 0.00 0.00 0.00 176.54 176.49 1u1x n SER 213 N -4.22 0.46 0.15 0.19 3.41 -1.26 -2.56 113.62 109.79 1u1x n SER 213 Ca 0.01 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 1u1x n SER 213 Cb 0.30 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 63.63 1u1x n SER 213 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1x h ALA 214 N 2.53 0.73 -0.16 7.33 0.00 -1.58 -3.40 119.26 124.72 1u1x h ALA 214 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1u1x h ALA 214 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1u1x h ALA 214 CO 0.00 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1u1x h ALA 215 N 1.92 0.22 0.69 0.00 0.00 -1.38 -1.06 119.26 119.64 1u1x h ALA 215 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1u1x h ALA 215 Cb 1.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1u1x h ALA 215 CO 0.01 -0.08 -0.50 0.78 0.00 0.00 0.00 179.25 179.46 1u1x h GLY 216 N 0.03 -1.31 0.33 0.00 0.00 -1.78 -2.07 103.07 98.27 1u1x h GLY 216 Ca 0.05 0.56 0.21 0.00 0.00 0.00 0.00 47.33 48.15 1u1x h GLY 216 CO 0.01 -0.42 0.59 -2.55 0.00 0.00 0.00 176.54 174.17 1u1x h PRO 217 N -1.13 0.28 -0.10 4.80 0.11 -1.76 -2.19 132.00 132.01 1u1x h PRO 217 Ca -0.09 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.81 1u1x h PRO 217 Cb 0.93 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1u1x h PRO 217 CO 0.04 0.19 -0.72 1.25 -0.21 0.00 0.00 178.00 178.54 1u1x h LEU 218 N 0.29 0.58 -0.19 2.35 5.85 -0.90 -0.17 115.31 123.12 1u1x h LEU 218 Ca 0.45 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1u1x h LEU 218 Cb 1.28 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1u1x h LEU 218 CO -0.13 1.12 -0.05 0.00 -0.34 0.00 0.00 178.44 179.04 1u1x h ALA 219 N 0.87 0.26 -0.49 1.25 0.00 -1.08 -0.14 119.26 119.92 1u1x h ALA 219 Ca -0.03 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1u1x h ALA 219 Cb 1.31 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1u1x h ALA 219 CO 0.13 0.04 0.00 0.82 0.00 0.00 0.00 179.25 180.24 1u1x h ILE 220 N 0.07 0.62 -0.68 0.00 2.04 -1.25 -1.98 117.51 116.34 1u1x h ILE 220 Ca 0.05 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1u1x h ILE 220 Cb 0.50 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1u1x h ILE 220 CO 0.02 0.02 0.43 -0.74 0.00 0.00 0.00 178.15 177.88 1u1x h HIS 221 N 0.12 0.81 -0.36 1.37 2.76 -0.77 0.27 115.15 119.35 1u1x h HIS 221 Ca 0.25 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.31 1u1x h HIS 221 Cb 0.37 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1u1x h HIS 221 CO -0.31 0.48 -0.28 -0.07 -1.30 0.00 0.00 177.93 176.45 1u1x h LEU 222 N 0.86 0.78 -0.23 0.26 3.38 -0.90 -1.60 115.31 117.86 1u1x h LEU 222 Ca 0.26 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1u1x h LEU 222 Cb -0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1u1x h LEU 222 CO -0.09 1.02 -0.33 0.00 0.09 0.00 0.00 178.44 179.13 1u1x h ALA 223 N 1.03 0.34 -0.65 1.53 0.00 -0.92 -0.75 119.26 119.84 1u1x h ALA 223 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1u1x h ALA 223 Cb 0.80 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1u1x h ALA 223 CO 0.07 0.39 0.43 0.00 0.00 0.00 0.00 179.25 180.14 1u1x h ARG 224 N 0.32 0.83 -0.65 0.00 3.08 -0.36 -1.88 114.38 115.71 1u1x h ARG 224 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1u1x h ARG 224 Cb 0.91 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1u1x h ARG 224 CO 0.08 0.55 0.00 0.72 -1.07 0.00 0.00 179.97 180.25 1u1x n HIS 225 N -4.44 1.51 -1.07 3.04 8.25 -0.61 -4.94 115.22 116.95 1u1x n HIS 225 Ca 0.07 -0.54 -0.02 0.00 -0.26 0.00 0.00 57.72 56.97 1u1x n HIS 225 Cb 0.07 -0.35 -0.01 0.00 1.12 0.00 0.00 29.99 30.81 1u1x n HIS 225 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u1x n GLY 226 N 0.67 0.55 0.11 -1.41 0.00 -0.71 -4.89 105.19 99.51 1u1x n GLY 226 Ca 0.22 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1u1x n GLY 226 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u1x n GLN 227 N -2.31 0.61 -4.17 1.61 1.13 -0.32 -4.92 117.38 109.01 1u1x n GLN 227 Ca -0.02 0.13 -0.13 0.00 -1.94 0.00 0.00 57.00 55.04 1u1x n GLN 227 Cb 0.15 -1.81 -0.08 0.00 0.11 0.00 0.00 30.24 28.61 1u1x n GLN 227 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1u1x s ILE 228 N -3.28 0.00 0.11 5.09 -4.36 -1.17 -4.35 121.20 113.24 1u1x s ILE 228 Ca -0.01 -1.87 -0.03 0.00 -0.26 0.00 0.00 60.65 58.47 1u1x s ILE 228 Cb 0.09 -2.46 -0.05 0.00 1.25 0.00 0.00 42.46 41.29 1u1x s ILE 228 CO 0.80 0.00 0.32 -1.61 0.24 0.00 0.00 174.94 174.69 1u1x s GLU 229 N -3.93 3.56 0.30 0.37 2.02 -1.26 -4.14 118.70 115.62 1u1x s GLU 229 Ca 0.36 -0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.86 1u1x s GLU 229 Cb 0.04 -2.92 -0.13 0.00 0.10 0.00 0.00 34.13 31.23 1u1x s GLU 229 CO 0.15 0.52 1.31 1.19 0.02 0.00 0.00 175.26 178.45 1u1x n PHE 230 N 0.19 2.18 -0.12 1.61 3.72 -1.26 -2.09 117.46 121.68 1u1x n PHE 230 Ca -0.04 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.89 1u1x n PHE 230 Cb 0.51 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.63 1u1x n PHE 230 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u1x n GLY 231 N 1.27 1.01 3.67 1.37 0.00 0.18 -4.91 105.19 107.78 1u1x n GLY 231 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1u1x n GLY 231 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u1x s GLN 232 N -0.62 4.31 0.19 1.61 0.74 -0.89 -4.85 119.66 120.16 1u1x s GLN 232 Ca 0.00 1.15 -0.30 0.00 0.05 0.00 0.00 55.36 56.26 1u1x s GLN 232 Cb 0.00 -3.58 -0.08 0.00 1.10 0.00 0.00 33.01 30.45 1u1x s GLN 232 CO 0.00 -0.38 1.24 -1.25 -0.55 0.00 0.00 175.29 174.35 1u1x s PRO 233 N 2.31 4.45 0.22 1.67 0.04 -1.26 -4.66 135.00 137.77 1u1x s PRO 233 Ca 0.41 1.95 0.10 0.00 0.04 0.00 0.00 61.00 63.50 1u1x s PRO 233 Cb -0.17 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1u1x s PRO 233 CO 0.12 -0.15 -0.12 0.14 0.04 0.00 0.00 177.00 177.03 1u1x s VAL 234 N -0.03 2.98 -0.19 -0.36 -7.23 -0.31 -4.83 120.40 110.43 1u1x s VAL 234 Ca 0.54 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1u1x s VAL 234 Cb -0.34 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1u1x s VAL 234 CO 0.38 -0.23 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.28 1u1x s GLU 235 N -3.12 3.46 -0.20 4.82 2.02 -0.14 -1.57 118.70 123.97 1u1x s GLU 235 Ca 0.27 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 1u1x s GLU 235 Cb -0.07 -2.92 -0.00 0.00 0.10 0.00 0.00 34.13 31.23 1u1x s GLU 235 CO 0.15 -0.01 -0.10 0.42 0.02 0.00 0.00 175.26 175.75 1u1x s ILE 236 N 0.99 2.97 -0.26 -1.63 1.01 0.10 -1.75 121.20 122.63 1u1x s ILE 236 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 1u1x s ILE 236 Cb -0.15 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1u1x s ILE 236 CO 0.00 0.47 0.03 -0.22 0.00 0.00 0.00 174.94 175.22 1u1x s LEU 237 N 1.27 3.45 0.13 2.97 2.96 0.10 -0.75 118.68 128.82 1u1x s LEU 237 Ca 0.03 -0.56 0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1u1x s LEU 237 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1u1x s LEU 237 CO -0.05 -0.11 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.07 1u1x s GLN 238 N 1.49 1.27 0.00 1.98 0.74 -0.28 -0.87 119.66 123.99 1u1x s GLN 238 Ca 0.04 -1.30 0.00 0.00 0.05 0.00 0.00 55.36 54.15 1u1x s GLN 238 Cb -0.16 -1.56 0.00 0.00 1.10 0.00 0.00 33.01 32.39 1u1x s GLN 238 CO 0.00 0.35 0.00 0.41 -0.55 0.00 0.00 175.29 175.51 1u1x n GLY 239 N 0.78 0.57 0.18 2.59 0.00 -1.18 -0.51 105.19 107.62 1u1x n GLY 239 Ca -0.17 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1u1x n GLY 239 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u1x h VAL 240 N 0.00 1.32 0.00 1.61 2.07 -1.86 0.20 116.25 119.59 1u1x h VAL 240 Ca 0.00 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1u1x h VAL 240 Cb 0.00 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1u1x h VAL 240 CO 0.00 0.43 -0.16 -0.33 0.02 0.00 0.00 177.57 177.53 1u1x h GLU 241 N 0.27 0.00 -0.67 1.57 3.07 -1.94 -1.99 114.58 114.89 1u1x h GLU 241 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1u1x h GLU 241 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1u1x h GLU 241 CO 0.06 0.16 0.00 0.44 -1.40 0.00 0.00 179.01 178.26 1u1x n ILE 242 N -3.39 1.05 -1.37 3.13 -5.35 -1.16 -4.93 119.36 107.34 1u1x n ILE 242 Ca -0.00 -0.93 -0.05 0.00 -0.27 0.00 0.00 62.75 61.50 1u1x n ILE 242 Cb 0.35 0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 38.61 1u1x n ILE 242 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1x n GLY 243 N 1.47 0.61 2.42 3.28 0.00 -0.75 -4.96 105.19 107.26 1u1x n GLY 243 Ca 0.23 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1u1x n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1x n ARG 244 N -2.52 1.86 -1.79 1.61 5.12 0.68 -4.94 116.66 116.67 1u1x n ARG 244 Ca -0.05 -4.04 -0.42 0.00 -1.93 0.00 0.00 57.85 51.41 1u1x n ARG 244 Cb 0.25 -1.85 -0.03 0.00 -1.16 0.00 0.00 32.46 29.67 1u1x n ARG 244 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1u1x s PRO 245 N -2.35 4.15 -0.05 5.56 0.04 -1.20 -4.16 135.00 137.01 1u1x s PRO 245 Ca 0.41 2.52 0.02 0.00 0.04 0.00 0.00 61.00 63.99 1u1x s PRO 245 Cb 0.23 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.49 1u1x s PRO 245 CO -0.08 -0.75 -0.08 -1.12 0.04 0.00 0.00 177.00 175.01 1u1x s SER 246 N 1.75 1.24 -0.32 6.66 0.01 0.33 -1.55 113.70 121.82 1u1x s SER 246 Ca 0.75 -0.19 -0.06 0.00 1.31 0.00 0.00 55.95 57.76 1u1x s SER 246 Cb -0.46 -0.54 0.03 0.00 0.21 0.00 0.00 66.02 65.26 1u1x s SER 246 CO 0.33 0.00 0.09 -0.76 0.41 0.00 0.00 173.24 173.31 1u1x s LEU 247 N 0.67 4.13 -0.08 2.44 1.43 -0.75 -1.12 118.68 125.40 1u1x s LEU 247 Ca -0.11 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1u1x s LEU 247 Cb -0.14 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1u1x s LEU 247 CO 0.01 -0.28 -0.06 -0.04 0.23 0.00 0.00 176.35 176.21 1u1x s MET 248 N 1.43 2.87 -0.17 1.70 -1.94 0.07 -4.66 119.30 118.62 1u1x s MET 248 Ca -0.00 -0.54 -0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1u1x s MET 248 Cb -0.19 -2.64 -0.02 0.00 2.01 0.00 0.00 34.83 33.99 1u1x s MET 248 CO 0.02 0.61 -0.04 -0.06 -0.01 0.00 0.00 175.02 175.55 1u1x s PHE 249 N -0.67 2.99 0.04 -0.03 0.08 -0.76 0.03 117.98 119.66 1u1x s PHE 249 Ca 0.10 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.73 1u1x s PHE 249 Cb -0.11 -1.98 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1u1x s PHE 249 CO 0.02 -0.15 -0.07 0.00 -0.10 0.00 0.00 175.22 174.91 1u1x s ALA 250 N 0.60 0.53 -0.17 5.36 0.00 -0.61 -1.13 121.76 126.34 1u1x s ALA 250 Ca -0.03 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 1u1x s ALA 250 Cb -0.14 0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.10 1u1x s ALA 250 CO 0.03 -0.03 0.36 0.21 0.00 0.00 0.00 175.76 176.32 1u1x s LYS 251 N -1.55 0.26 -0.31 0.00 2.20 -0.63 -1.16 119.74 118.54 1u1x s LYS 251 Ca -0.10 0.89 -0.05 0.00 -0.36 0.00 0.00 55.97 56.34 1u1x s LYS 251 Cb -0.10 0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1u1x s LYS 251 CO 0.00 -0.25 0.06 0.00 -0.36 0.00 0.00 175.35 174.81 1u1x s ALA 252 N 2.38 2.98 -0.01 3.13 0.00 -1.26 -0.65 121.76 128.32 1u1x s ALA 252 Ca -0.02 -1.62 -0.03 0.00 0.00 0.00 0.00 51.96 50.30 1u1x s ALA 252 Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1u1x s ALA 252 CO -0.11 -1.14 0.16 -1.21 0.00 0.00 0.00 175.76 173.46 1u1x s GLU 253 N 1.40 3.37 0.00 0.00 2.02 0.04 -0.64 118.70 124.89 1u1x s GLU 253 Ca -0.01 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1u1x s GLU 253 Cb -0.18 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1u1x s GLU 253 CO 0.01 0.68 0.00 0.41 0.02 0.00 0.00 175.26 176.38 1u1x n GLY 254 N 1.04 0.44 3.30 -1.39 0.00 -1.26 -1.18 105.19 106.14 1u1x n GLY 254 Ca -0.12 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 1u1x n GLY 254 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u1x s ARG 255 N 0.00 1.43 0.23 1.61 1.81 -0.95 -4.80 118.95 118.28 1u1x s ARG 255 Ca 0.00 -1.66 -0.09 0.00 -1.72 0.00 0.00 55.73 52.26 1u1x s ARG 255 Cb 0.00 0.33 0.37 0.00 -0.45 0.00 0.00 34.95 35.20 1u1x s ARG 255 CO 0.00 -0.52 1.63 0.00 -0.68 0.00 0.00 175.30 175.74 1u1x h ALA 256 N 2.42 0.67 0.00 2.13 0.00 -1.98 -1.37 119.26 121.13 1u1x h ALA 256 Ca -0.32 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u1x h ALA 256 Cb 1.25 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1u1x h ALA 256 CO 0.46 -0.42 0.00 -0.85 0.00 0.00 0.00 179.25 178.44 1u1x n GLU 257 N -5.37 0.13 -3.11 0.00 0.28 -1.26 -4.43 120.64 106.88 1u1x n GLU 257 Ca 0.12 0.30 0.01 0.00 -0.16 0.00 0.00 57.16 57.43 1u1x n GLU 257 Cb 0.43 -1.72 -0.01 0.00 1.43 0.00 0.00 31.44 31.57 1u1x n GLU 257 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1u1x s GLN 258 N -3.16 0.65 -0.09 3.44 2.00 -0.53 -5.14 119.66 116.83 1u1x s GLN 258 Ca 0.07 -0.16 -0.23 0.00 -2.00 0.00 0.00 55.36 53.03 1u1x s GLN 258 Cb 0.11 0.09 -0.03 0.00 0.80 0.00 0.00 33.01 33.97 1u1x s GLN 258 CO 0.41 -0.95 0.71 -0.51 -0.50 0.00 0.00 175.29 174.44 1u1x s LEU 259 N 1.95 4.29 0.04 3.68 1.43 -1.16 -2.24 118.68 126.67 1u1x s LEU 259 Ca 0.16 1.16 0.22 0.00 -1.03 0.00 0.00 54.13 54.64 1u1x s LEU 259 Cb -0.03 -3.09 -0.18 0.00 0.03 0.00 0.00 46.19 42.92 1u1x s LEU 259 CO -0.10 -0.16 0.74 0.35 0.23 0.00 0.00 176.35 177.41 1u1x n THR 260 N 3.94 0.17 -3.64 5.49 -2.24 -0.32 -4.96 114.28 112.72 1u1x n THR 260 Ca -0.01 -0.43 -0.06 0.00 -2.27 0.00 0.00 64.05 61.28 1u1x n THR 260 Cb 0.51 0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 1u1x n THR 260 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1u1x s ARG 261 N -3.39 0.59 -0.34 -0.78 3.52 -1.20 -5.02 118.95 112.32 1u1x s ARG 261 Ca -0.03 0.95 0.02 0.00 -0.13 0.00 0.00 55.73 56.54 1u1x s ARG 261 Cb 0.13 0.15 0.09 0.00 -1.56 0.00 0.00 34.95 33.76 1u1x s ARG 261 CO 0.86 -0.11 0.06 0.08 -0.81 0.00 0.00 175.30 175.38 1u1x s VAL 262 N 1.31 2.58 -0.21 7.11 1.01 -1.26 -0.78 120.40 130.16 1u1x s VAL 262 Ca -0.08 -2.10 -0.11 0.00 0.00 0.00 0.00 61.98 59.69 1u1x s VAL 262 Cb -0.05 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1u1x s VAL 262 CO -0.15 -0.51 0.18 -0.70 0.00 0.00 0.00 175.10 173.92 1u1x s GLU 263 N 1.02 4.16 -0.05 2.72 2.12 0.17 0.02 118.70 128.86 1u1x s GLU 263 Ca 0.06 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.27 1u1x s GLU 263 Cb -0.20 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.73 1u1x s GLU 263 CO -0.06 0.20 -0.16 0.08 -0.54 0.00 0.00 175.26 174.78 1u1x s VAL 264 N 0.65 1.33 0.14 3.70 1.01 -0.64 -1.61 120.40 124.98 1u1x s VAL 264 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1u1x s VAL 264 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1u1x s VAL 264 CO 0.01 0.39 0.03 -0.94 0.00 0.00 0.00 175.10 174.60 1u1x s SER 265 N 0.23 0.68 -0.16 3.32 1.04 -0.28 -0.88 113.70 117.65 1u1x s SER 265 Ca -0.07 -1.19 -0.35 0.00 0.48 0.00 0.00 55.95 54.82 1u1x s SER 265 Cb -0.13 0.22 0.14 0.00 0.10 0.00 0.00 66.02 66.36 1u1x s SER 265 CO 0.03 -0.66 1.34 -0.83 0.98 0.00 0.00 173.24 174.10 1u1x s GLY 266 N -3.09 -0.35 0.64 7.32 0.00 -0.55 -1.82 107.32 109.47 1u1x s GLY 266 Ca 0.23 1.34 -0.13 0.00 0.00 0.00 0.00 44.72 46.16 1u1x s GLY 266 CO 0.02 0.38 1.05 -1.31 0.00 0.00 0.00 173.10 173.25 1u1x s ASN 267 N -2.51 5.67 0.06 1.64 0.01 -1.26 -1.44 114.94 117.10 1u1x s ASN 267 Ca 0.13 1.69 -0.17 0.00 -0.71 0.00 0.00 52.86 53.80 1u1x s ASN 267 Cb 0.03 -2.51 0.03 0.00 0.41 0.00 0.00 41.25 39.21 1u1x s ASN 267 CO -0.04 -1.25 0.40 -0.83 -1.51 0.00 0.00 177.10 173.87 1u1x s GLY 268 N -3.33 -0.26 0.03 0.66 0.00 -0.73 0.39 107.32 104.08 1u1x s GLY 268 Ca 0.60 0.19 -0.07 0.00 0.00 0.00 0.00 44.72 45.43 1u1x s GLY 268 CO 0.46 -0.07 0.14 -1.34 0.00 0.00 0.00 173.10 172.29 1u1x s VAL 269 N -2.82 0.11 -0.06 1.40 -7.23 -0.99 -4.58 120.40 106.24 1u1x s VAL 269 Ca -0.03 -0.89 -0.26 0.00 -1.81 0.00 0.00 61.98 58.99 1u1x s VAL 269 Cb -0.00 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 36.16 1u1x s VAL 269 CO -0.05 -0.49 0.81 -0.89 -0.31 0.00 0.00 175.10 174.18 1u1x s THR 270 N -2.17 4.96 -0.17 5.32 2.01 -1.26 -0.49 115.64 123.84 1u1x s THR 270 Ca -0.08 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.64 1u1x s THR 270 Cb -0.03 -4.15 -0.22 0.00 0.01 0.00 0.00 72.50 68.10 1u1x s THR 270 CO -0.02 0.19 0.14 0.33 -0.69 0.00 0.00 174.62 174.57 1u1x n PHE 271 N 4.00 0.53 -3.77 4.92 7.35 -0.16 -4.87 117.46 125.46 1u1x n PHE 271 Ca 0.02 0.13 -0.03 0.00 -0.76 0.00 0.00 57.45 56.81 1u1x n PHE 271 Cb 0.51 -1.08 -0.01 0.00 0.35 0.00 0.00 39.48 39.26 1u1x n PHE 271 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1u1x s GLY 272 N -5.83 -0.16 0.13 7.13 0.00 -1.20 -4.99 107.32 102.39 1u1x s GLY 272 Ca -0.22 0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.39 1u1x s GLY 272 CO 0.73 0.49 0.42 1.09 0.00 0.00 0.00 173.10 175.83 1u1x s ARG 273 N -2.98 1.09 0.00 2.90 1.70 -1.26 -0.74 118.95 119.66 1u1x s ARG 273 Ca 0.14 -0.69 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 1u1x s ARG 273 Cb -0.01 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 1u1x s ARG 273 CO 0.03 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.22 1u1x n GLY 274 N -0.24 1.09 3.04 3.88 0.00 -0.64 -5.00 105.19 107.32 1u1x n GLY 274 Ca -0.16 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1u1x n GLY 274 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u1x s THR 275 N -2.29 0.52 0.22 2.61 -1.32 -1.26 -1.16 115.64 112.95 1u1x s THR 275 Ca 0.00 -0.91 0.09 0.00 -1.21 0.00 0.00 61.69 59.67 1u1x s THR 275 Cb 0.00 -0.56 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1u1x s THR 275 CO 0.00 -0.28 -0.07 0.27 -2.21 0.00 0.00 174.62 172.33 1u1x s ILE 276 N -1.12 3.24 -2.07 5.08 -4.36 0.47 -4.97 121.20 117.46 1u1x s ILE 276 Ca -0.07 -1.79 0.12 0.00 -0.26 0.00 0.00 60.65 58.65 1u1x s ILE 276 Cb -0.08 -2.66 0.32 0.00 1.25 0.00 0.00 42.46 41.29 1u1x s ILE 276 CO 0.00 -0.22 1.34 1.33 0.24 0.00 0.00 174.94 177.64 1u1x n VAL 277 N -0.32 0.25 -0.87 8.37 0.24 -1.26 -2.50 118.33 122.23 1u1x n VAL 277 Ca -0.09 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1u1x n VAL 277 Cb 0.57 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 1u1x n VAL 277 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69