#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxx s ILE 3 N 0.00 4.59 -0.17 0.55 1.01 -0.69 -4.23 121.20 122.27 1wxx s ILE 3 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 1wxx s ILE 3 Cb 0.00 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1wxx s ILE 3 CO 0.00 0.47 -0.09 -1.10 0.00 0.00 0.00 174.94 174.22 1wxx s GLN 4 N 0.33 3.39 0.33 2.79 -1.52 0.32 -0.35 119.66 124.96 1wxx s GLN 4 Ca 0.02 -0.65 0.08 0.00 -1.95 0.00 0.00 55.36 52.85 1wxx s GLN 4 Cb -0.13 -2.80 -0.03 0.00 -0.22 0.00 0.00 33.01 29.83 1wxx s GLN 4 CO 0.01 0.04 0.22 0.14 -0.25 0.00 0.00 175.29 175.44 1wxx s VAL 5 N 0.83 3.37 0.41 1.09 -7.23 -0.44 0.68 120.40 119.11 1wxx s VAL 5 Ca -0.03 -1.52 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 1wxx s VAL 5 Cb -0.15 -3.10 0.09 0.00 0.56 0.00 0.00 36.38 33.78 1wxx s VAL 5 CO 0.01 -0.19 0.56 -0.46 -0.31 0.00 0.00 175.10 174.70 1wxx n ASN 6 N -1.26 0.35 -0.13 4.85 0.23 -0.27 -4.61 115.26 114.42 1wxx n ASN 6 Ca -0.03 -1.39 0.01 0.00 -0.53 0.00 0.00 54.58 52.64 1wxx n ASN 6 Cb 0.60 -0.40 0.29 0.00 -2.08 0.00 0.00 39.78 38.19 1wxx n ASN 6 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wxx h ALA 7 N -1.22 1.49 -0.07 -2.53 0.00 -1.99 -0.99 119.26 113.95 1wxx h ALA 7 Ca -0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wxx h ALA 7 Cb 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wxx h ALA 7 CO 0.16 0.44 0.04 -0.22 0.00 0.00 0.00 179.25 179.66 1wxx h LYS 8 N 0.82 0.10 -0.38 0.00 3.64 -1.93 -0.71 116.57 118.11 1wxx h LYS 8 Ca 0.21 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1wxx h LYS 8 Cb -0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1wxx h LYS 8 CO -0.04 0.16 -0.01 0.78 -2.27 0.00 0.00 179.45 178.08 1wxx h GLY 9 N 0.01 0.66 0.87 5.01 0.00 -1.71 -2.25 103.07 105.66 1wxx h GLY 9 Ca 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1wxx h GLY 9 CO -0.00 0.38 0.07 0.00 0.00 0.00 0.00 176.54 176.98 1wxx h ALA 10 N 1.42 0.27 -0.50 3.60 0.00 -0.89 -1.80 119.26 121.36 1wxx h ALA 10 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wxx h ALA 10 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1wxx h ALA 10 CO 0.01 -0.10 0.24 0.00 0.00 0.00 0.00 179.25 179.40 1wxx h ALA 11 N 0.89 1.49 -0.10 0.00 0.00 -0.90 -0.20 119.26 120.44 1wxx h ALA 11 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wxx h ALA 11 Cb 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wxx h ALA 11 CO -0.00 0.41 0.02 0.00 0.00 0.00 0.00 179.25 179.67 1wxx h ARG 12 N 0.70 0.16 -0.21 0.00 3.08 -1.12 -1.93 114.38 115.06 1wxx h ARG 12 Ca 0.18 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1wxx h ARG 12 Cb 0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1wxx h ARG 12 CO -0.02 0.37 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.92 1wxx h LEU 13 N -0.07 0.40 -0.91 3.04 3.38 -0.99 -1.34 115.31 118.82 1wxx h LEU 13 Ca 0.03 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1wxx h LEU 13 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1wxx h LEU 13 CO 0.00 0.66 -0.22 -0.07 0.09 0.00 0.00 178.44 178.90 1wxx h LEU 14 N 0.35 0.55 0.00 1.67 3.38 -0.98 -1.62 115.31 118.67 1wxx h LEU 14 Ca 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1wxx h LEU 14 Cb 0.65 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1wxx h LEU 14 CO 0.05 0.77 0.00 -1.54 0.09 0.00 0.00 178.44 177.81 1wxx n SER 15 N -4.13 0.00 -0.42 -0.43 3.41 -0.73 -4.90 113.62 106.41 1wxx n SER 15 Ca -0.00 -0.24 -0.04 0.00 -0.26 0.00 0.00 58.87 58.33 1wxx n SER 15 Cb 0.40 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1wxx n SER 15 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wxx n ARG 16 N -1.24 -0.31 -2.60 4.33 5.12 -0.61 -4.87 116.66 116.48 1wxx n ARG 16 Ca 0.14 0.33 -0.33 0.00 -1.93 0.00 0.00 57.85 56.07 1wxx n ARG 16 Cb 0.20 -4.04 -0.05 0.00 -1.16 0.00 0.00 32.46 27.41 1wxx n ARG 16 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1wxx s HIS 17 N -2.19 3.38 -1.42 -1.55 2.46 -0.55 -4.55 115.29 110.87 1wxx s HIS 17 Ca 0.00 1.53 0.24 0.00 0.47 0.00 0.00 55.06 57.30 1wxx s HIS 17 Cb 0.00 -2.82 0.25 0.00 -0.13 0.00 0.00 32.58 29.88 1wxx s HIS 17 CO 0.00 -0.24 1.24 1.28 -2.47 0.00 0.00 174.74 174.54 1wxx n LEU 18 N -1.12 1.11 -4.58 8.88 4.77 -1.26 -4.31 117.00 120.48 1wxx n LEU 18 Ca 0.07 -0.37 -0.34 0.00 -0.03 0.00 0.00 56.01 55.34 1wxx n LEU 18 Cb 0.54 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1wxx n LEU 18 CO 0.42 0.23 -0.38 0.26 -1.33 0.00 0.00 177.39 176.60 1wxx s TRP 19 N -2.76 2.95 -0.06 -1.77 0.51 -1.26 -0.47 118.94 116.07 1wxx s TRP 19 Ca 0.15 0.02 -0.00 0.00 -2.12 0.00 0.00 56.10 54.15 1wxx s TRP 19 Cb 0.18 -1.72 0.02 0.00 -0.81 0.00 0.00 33.47 31.14 1wxx s TRP 19 CO 0.67 0.33 -0.02 0.08 -0.51 0.00 0.00 176.95 177.50 1wxx s VAL 20 N -0.80 0.47 0.49 4.03 1.01 -0.88 -4.86 120.40 119.87 1wxx s VAL 20 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1wxx s VAL 20 Cb -0.11 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1wxx s VAL 20 CO 0.01 0.24 0.84 -0.36 0.00 0.00 0.00 175.10 175.83 1wxx s PHE 21 N 1.44 3.55 0.35 5.22 0.40 -1.26 -1.58 117.98 126.10 1wxx s PHE 21 Ca -0.03 0.98 0.15 0.00 -0.60 0.00 0.00 56.93 57.43 1wxx s PHE 21 Cb -0.13 -2.43 1.05 0.00 0.51 0.00 0.00 43.02 42.02 1wxx s PHE 21 CO -0.03 -0.32 1.70 -0.09 0.70 0.00 0.00 175.22 177.18 1wxx h ARG 22 N 0.39 0.39 0.00 0.44 2.43 -1.04 0.61 114.38 117.60 1wxx h ARG 22 Ca -0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1wxx h ARG 22 Cb 1.20 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1wxx h ARG 22 CO 0.62 0.26 0.00 0.07 -1.51 0.00 0.00 179.97 179.41 1wxx h ARG 23 N 0.40 0.00 -0.56 0.20 0.11 -1.94 -2.12 114.38 110.47 1wxx h ARG 23 Ca 0.69 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.77 1wxx h ARG 23 Cb 1.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.66 1wxx h ARG 23 CO -0.51 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.31 1wxx n ASP 24 N -2.44 3.61 -4.58 0.08 8.00 0.21 -4.87 116.55 116.56 1wxx n ASP 24 Ca 0.00 -2.07 -0.38 0.00 0.71 0.00 0.00 54.79 53.06 1wxx n ASP 24 Cb 0.16 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.75 1wxx n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wxx s VAL 25 N -1.13 5.18 0.02 2.53 1.01 -0.80 -1.12 120.40 126.09 1wxx s VAL 25 Ca 0.39 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 1wxx s VAL 25 Cb 0.21 -3.45 -0.33 0.00 0.00 0.00 0.00 36.38 32.81 1wxx s VAL 25 CO 0.25 0.28 1.00 0.58 0.00 0.00 0.00 175.10 177.20 1wxx h VAL 26 N 5.35 1.34 -2.60 2.92 2.07 -0.03 -3.47 116.25 121.82 1wxx h VAL 26 Ca -0.36 -2.59 -0.03 0.00 0.82 0.00 0.00 66.70 64.55 1wxx h VAL 26 Cb 1.19 2.99 -0.15 0.00 -1.52 0.00 0.00 31.29 33.80 1wxx h VAL 26 CO 0.57 0.77 0.22 -0.94 0.02 0.00 0.00 177.57 178.21 1wxx s SER 27 N -7.39 -0.59 0.13 0.57 1.04 -1.06 -4.99 113.70 101.42 1wxx s SER 27 Ca -0.10 0.25 -0.25 0.00 0.48 0.00 0.00 55.95 56.33 1wxx s SER 27 Cb 0.04 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.80 1wxx s SER 27 CO 0.91 -0.82 1.06 -0.83 0.98 0.00 0.00 173.24 174.55 1wxx s GLY 28 N -2.18 -0.09 0.95 7.32 0.00 -1.26 -0.52 107.32 111.54 1wxx s GLY 28 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 1wxx s GLY 28 CO -0.05 1.44 0.75 -1.05 0.00 0.00 0.00 173.10 174.19 1wxx n PRO 29 N -0.60 -0.48 0.14 2.90 -0.02 -1.26 -4.94 135.00 130.74 1wxx n PRO 29 Ca -0.04 -0.09 0.03 0.00 -2.02 0.00 0.00 63.50 61.37 1wxx n PRO 29 Cb 0.60 -2.10 0.08 0.00 -0.02 0.00 0.00 33.50 32.07 1wxx n PRO 29 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1wxx h GLU 30 N -1.77 0.00 -6.35 -0.52 4.81 -2.01 -3.44 114.58 105.30 1wxx h GLU 30 Ca -0.44 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.17 1wxx h GLU 30 Cb 1.28 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.50 1wxx h GLU 30 CO 0.38 0.51 -0.79 0.95 -0.73 0.00 0.00 179.01 179.33 1wxx s THR 31 N -3.07 2.39 0.73 0.32 -4.23 -1.26 -4.83 115.64 105.68 1wxx s THR 31 Ca 0.03 -2.24 -0.11 0.00 -1.18 0.00 0.00 61.69 58.19 1wxx s THR 31 Cb 0.08 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.75 1wxx s THR 31 CO 0.74 -0.29 1.09 -2.16 -0.54 0.00 0.00 174.62 173.45 1wxx s PRO 32 N -3.16 2.54 0.00 3.99 0.04 -1.26 -4.71 135.00 132.45 1wxx s PRO 32 Ca 0.26 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1wxx s PRO 32 Cb -0.06 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1wxx s PRO 32 CO 0.12 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.15 1wxx n GLY 33 N -1.27 -0.51 3.33 0.56 0.00 -0.43 -4.93 105.19 101.95 1wxx n GLY 33 Ca 0.09 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 1wxx n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wxx s LEU 34 N 0.00 2.94 0.05 0.99 1.43 -1.26 -0.48 118.68 122.35 1wxx s LEU 34 Ca 0.00 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1wxx s LEU 34 Cb 0.00 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1wxx s LEU 34 CO 0.00 -0.00 0.09 -0.31 0.23 0.00 0.00 176.35 176.36 1wxx s TYR 35 N 1.37 0.26 0.43 0.29 2.02 -0.81 -4.96 117.35 115.95 1wxx s TYR 35 Ca 0.04 -0.64 -0.21 0.00 -0.37 0.00 0.00 57.07 55.90 1wxx s TYR 35 Cb -0.14 -0.18 -0.11 0.00 -0.40 0.00 0.00 41.96 41.14 1wxx s TYR 35 CO -0.02 -0.41 0.97 -1.25 -1.57 0.00 0.00 175.55 173.27 1wxx s PRO 36 N -3.14 4.17 -0.10 -1.71 0.04 -1.26 -1.20 135.00 131.80 1wxx s PRO 36 Ca -0.00 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.22 1wxx s PRO 36 Cb 0.02 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1wxx s PRO 36 CO -0.07 -0.09 -0.14 0.08 0.04 0.00 0.00 177.00 176.83 1wxx s VAL 37 N -2.12 3.05 0.13 -0.36 1.01 0.24 -1.70 120.40 120.64 1wxx s VAL 37 Ca 0.62 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1wxx s VAL 37 Cb -0.11 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1wxx s VAL 37 CO 0.15 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.32 1wxx s TYR 38 N -0.01 1.56 -0.40 5.22 1.51 0.52 -0.34 117.35 125.42 1wxx s TYR 38 Ca -0.04 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1wxx s TYR 38 Cb -0.14 -0.81 0.11 0.00 -0.11 0.00 0.00 41.96 41.01 1wxx s TYR 38 CO 0.04 0.21 0.14 -0.46 -1.11 0.00 0.00 175.55 174.36 1wxx s TRP 39 N -2.00 3.61 0.00 2.71 -0.00 -0.56 -1.32 118.94 121.38 1wxx s TRP 39 Ca 0.10 -2.92 0.00 0.00 -0.00 0.00 0.00 56.10 53.29 1wxx s TRP 39 Cb -0.06 -2.98 0.00 0.00 -0.00 0.00 0.00 33.47 30.43 1wxx s TRP 39 CO 0.04 -0.91 0.00 0.41 -0.00 0.00 0.00 176.95 176.49 1wxx n GLY 40 N 4.07 2.18 0.99 5.86 0.00 -1.26 -1.79 105.19 115.24 1wxx n GLY 40 Ca 0.03 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.80 1wxx n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wxx n ARG 41 N 12.99 2.27 -3.31 1.61 5.12 -1.26 -4.90 116.66 129.17 1wxx n ARG 41 Ca 0.00 -1.95 -0.40 0.00 -1.93 0.00 0.00 57.85 53.58 1wxx n ARG 41 Cb 0.00 -1.46 -0.08 0.00 -1.16 0.00 0.00 32.46 29.75 1wxx n ARG 41 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1wxx s ARG 42 N -1.47 3.91 0.25 5.56 3.52 -0.74 -5.05 118.95 124.94 1wxx s ARG 42 Ca 0.37 0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.71 1wxx s ARG 42 Cb 0.21 -3.70 -0.10 0.00 -1.56 0.00 0.00 34.95 29.80 1wxx s ARG 42 CO 0.29 -0.40 1.38 0.12 -0.81 0.00 0.00 175.30 175.88 1wxx s PHE 43 N 2.21 3.08 -0.04 5.12 5.36 -1.26 -1.49 117.98 130.96 1wxx s PHE 43 Ca 0.17 1.15 -0.00 0.00 -0.96 0.00 0.00 56.93 57.28 1wxx s PHE 43 Cb -0.16 -3.74 -0.02 0.00 -0.34 0.00 0.00 43.02 38.76 1wxx s PHE 43 CO 0.11 -2.32 -0.04 1.28 -1.46 0.00 0.00 175.22 172.79 1wxx n LEU 44 N 2.13 2.08 -3.84 6.12 4.77 0.54 -4.92 117.00 123.88 1wxx n LEU 44 Ca 0.05 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.04 1wxx n LEU 44 Cb 0.41 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1wxx n LEU 44 CO 0.60 0.40 0.99 0.00 -1.33 0.00 0.00 177.39 178.05 1wxx s ALA 45 N -2.07 -2.14 -0.04 -1.18 0.00 -1.14 -4.58 121.76 110.61 1wxx s ALA 45 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1wxx s ALA 45 Cb 0.01 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1wxx s ALA 45 CO 0.08 -1.09 -0.02 -0.51 0.00 0.00 0.00 175.76 174.21 1wxx s LEU 46 N -3.40 3.44 0.14 0.00 1.43 -0.34 0.80 118.68 120.74 1wxx s LEU 46 Ca 0.22 0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 1wxx s LEU 46 Cb 0.01 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1wxx s LEU 46 CO -0.00 0.33 0.34 0.00 0.23 0.00 0.00 176.35 177.25 1wxx s ALA 47 N -0.95 -0.57 0.09 4.21 0.00 -0.34 -1.67 121.76 122.53 1wxx s ALA 47 Ca 0.16 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 51.48 1wxx s ALA 47 Cb -0.11 0.70 -0.07 0.00 0.00 0.00 0.00 23.12 23.64 1wxx s ALA 47 CO 0.05 -0.64 0.75 -0.51 0.00 0.00 0.00 175.76 175.42 1wxx s LEU 48 N -2.86 4.51 0.03 0.00 1.02 0.16 -1.93 118.68 119.61 1wxx s LEU 48 Ca 0.07 1.51 0.03 0.00 0.02 0.00 0.00 54.13 55.77 1wxx s LEU 48 Cb 0.02 -3.23 -0.02 0.00 0.02 0.00 0.00 46.19 42.99 1wxx s LEU 48 CO -0.08 0.11 -0.11 -0.47 0.02 0.00 0.00 176.35 175.83 1wxx s TYR 49 N -0.57 0.93 -0.11 0.29 5.04 0.37 -1.39 117.35 121.90 1wxx s TYR 49 Ca 0.37 -0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 54.62 1wxx s TYR 49 Cb -0.21 -0.56 0.06 0.00 0.35 0.00 0.00 41.96 41.60 1wxx s TYR 49 CO 0.24 -0.01 0.16 1.21 -1.34 0.00 0.00 175.55 175.82 1wxx s ASN 50 N -1.05 1.03 0.00 4.32 3.84 -0.82 -1.31 114.94 120.95 1wxx s ASN 50 Ca -0.01 0.13 0.23 0.00 0.21 0.00 0.00 52.86 53.41 1wxx s ASN 50 Cb -0.07 0.24 1.18 0.00 -0.55 0.00 0.00 41.25 42.05 1wxx s ASN 50 CO 0.01 -0.27 1.73 -0.81 -2.79 0.00 0.00 177.10 174.97 1wxx n PRO 51 N 5.32 0.40 -0.16 0.43 -0.04 -1.26 -3.50 135.00 136.19 1wxx n PRO 51 Ca -0.05 0.06 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1wxx n PRO 51 Cb 0.50 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.59 1wxx n PRO 51 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wxx n HIS 52 N -1.23 0.41 -4.45 0.54 8.25 -1.26 -5.03 115.22 112.46 1wxx n HIS 52 Ca 0.12 -0.51 -0.24 0.00 -0.26 0.00 0.00 57.72 56.83 1wxx n HIS 52 Cb 0.16 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 1wxx n HIS 52 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wxx s THR 53 N -1.05 2.59 0.15 1.59 -4.23 -1.23 -4.98 115.64 108.48 1wxx s THR 53 Ca 0.21 -2.34 -0.11 0.00 -1.18 0.00 0.00 61.69 58.26 1wxx s THR 53 Cb 0.11 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1wxx s THR 53 CO 0.13 -0.39 1.56 -0.78 -0.54 0.00 0.00 174.62 174.60 1wxx h ASP 54 N 2.25 0.93 -2.89 3.99 3.58 -1.92 -3.29 116.42 119.07 1wxx h ASP 54 Ca -0.41 -0.37 -0.74 0.00 0.42 0.00 0.00 57.03 55.93 1wxx h ASP 54 Cb 1.26 -0.26 -0.21 0.00 1.72 0.00 0.00 39.33 41.84 1wxx h ASP 54 CO 0.60 1.09 0.70 -0.22 -2.88 0.00 0.00 179.24 178.52 1wxx s LEU 55 N -9.19 5.68 0.11 2.28 2.96 -1.26 -0.54 118.68 118.71 1wxx s LEU 55 Ca -0.12 -2.62 -0.12 0.00 -0.22 0.00 0.00 54.13 51.04 1wxx s LEU 55 Cb 0.12 -2.32 -0.12 0.00 0.50 0.00 0.00 46.19 44.36 1wxx s LEU 55 CO 0.85 -0.76 1.36 0.00 -1.32 0.00 0.00 176.35 176.48 1wxx h ALA 56 N 7.91 0.39 -3.30 5.97 0.00 -1.61 -3.45 119.26 125.18 1wxx h ALA 56 Ca 0.18 -0.54 -0.68 0.00 0.00 0.00 0.00 54.91 53.87 1wxx h ALA 56 Cb 0.98 -0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.38 1wxx h ALA 56 CO 1.03 0.66 -0.88 0.08 0.00 0.00 0.00 179.25 180.14 1wxx s VAL 57 N -3.98 2.05 -0.32 0.00 1.01 -0.61 -1.94 120.40 116.61 1wxx s VAL 57 Ca -0.11 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1wxx s VAL 57 Cb 0.09 -1.79 0.10 0.00 0.00 0.00 0.00 36.38 34.79 1wxx s VAL 57 CO 0.89 0.56 0.08 -0.13 0.00 0.00 0.00 175.10 176.50 1wxx s ARG 58 N 0.49 0.96 0.52 2.72 0.52 -0.49 -2.08 118.95 121.59 1wxx s ARG 58 Ca -0.15 -1.34 -0.20 0.00 -0.52 0.00 0.00 55.73 53.52 1wxx s ARG 58 Cb -0.17 -2.39 -0.07 0.00 0.52 0.00 0.00 34.95 32.84 1wxx s ARG 58 CO 0.06 -0.97 1.11 0.00 0.02 0.00 0.00 175.30 175.51 1wxx s ALA 59 N 1.38 2.77 0.00 2.13 0.00 0.38 -0.66 121.76 127.75 1wxx s ALA 59 Ca 0.10 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1wxx s ALA 59 Cb -0.18 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1wxx s ALA 59 CO -0.20 -0.64 0.02 2.48 0.00 0.00 0.00 175.76 177.42 1wxx n TYR 60 N -1.11 0.00 -3.76 0.00 0.18 -0.67 -4.76 117.16 107.04 1wxx n TYR 60 Ca 0.11 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.75 1wxx n TYR 60 Cb 0.51 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.37 1wxx n TYR 60 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1wxx s ARG 61 N -0.08 0.51 -0.21 -3.48 1.81 -1.20 -4.94 118.95 111.35 1wxx s ARG 61 Ca 0.00 0.17 0.12 0.00 -1.72 0.00 0.00 55.73 54.31 1wxx s ARG 61 Cb 0.00 0.23 0.42 0.00 -0.45 0.00 0.00 34.95 35.16 1wxx s ARG 61 CO 0.00 -0.10 1.27 1.19 -0.68 0.00 0.00 175.30 176.98 1wxx n PHE 62 N 2.20 0.29 -3.77 -0.53 3.72 -1.26 -1.20 117.46 116.90 1wxx n PHE 62 Ca -0.17 -1.41 -0.13 0.00 -0.05 0.00 0.00 57.45 55.69 1wxx n PHE 62 Cb 0.57 -0.29 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 1wxx n PHE 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wxx s ALA 63 N -3.16 -0.73 0.83 4.37 0.00 -1.26 -4.78 121.76 117.03 1wxx s ALA 63 Ca 0.39 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 1wxx s ALA 63 Cb 0.36 -0.18 0.10 0.00 0.00 0.00 0.00 23.12 23.40 1wxx s ALA 63 CO -0.03 -0.20 1.16 -1.25 0.00 0.00 0.00 175.76 175.43 1wxx s PRO 64 N -0.67 1.61 -0.09 0.00 0.04 -1.26 -4.70 135.00 129.93 1wxx s PRO 64 Ca -0.08 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.42 1wxx s PRO 64 Cb -0.04 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1wxx s PRO 64 CO 0.02 -2.20 0.25 0.00 0.04 0.00 0.00 177.00 175.12 1wxx s ALA 65 N -2.48 -0.61 0.34 8.56 0.00 -1.26 -5.05 121.76 121.26 1wxx s ALA 65 Ca 0.68 0.65 0.09 0.00 0.00 0.00 0.00 51.96 53.38 1wxx s ALA 65 Cb -0.24 -0.37 0.61 0.00 0.00 0.00 0.00 23.12 23.12 1wxx s ALA 65 CO 0.53 -0.13 1.79 1.49 0.00 0.00 0.00 175.76 179.44 1wxx h GLU 66 N 5.60 0.18 -3.72 0.00 4.81 -2.04 -3.38 114.58 116.02 1wxx h GLU 66 Ca -0.26 -0.07 -0.60 0.00 -0.13 0.00 0.00 59.36 58.30 1wxx h GLU 66 Cb 1.19 -0.01 -0.40 0.00 0.63 0.00 0.00 28.75 30.16 1wxx h GLU 66 CO 0.35 0.49 -0.75 0.34 -0.73 0.00 0.00 179.01 178.72 1wxx s ASP 67 N -6.89 4.14 0.27 1.04 -1.08 -1.26 -5.01 116.67 107.88 1wxx s ASP 67 Ca -0.04 -1.82 -0.00 0.00 -0.52 0.00 0.00 52.55 50.16 1wxx s ASP 67 Cb 0.14 -1.03 0.52 0.00 -1.46 0.00 0.00 42.92 41.09 1wxx s ASP 67 CO 0.75 -0.40 1.83 -0.65 0.52 0.00 0.00 175.17 177.22 1wxx h PRO 68 N 7.88 0.93 -0.21 4.34 0.11 -1.94 -0.59 132.00 142.52 1wxx h PRO 68 Ca -0.11 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.91 1wxx h PRO 68 Cb 1.01 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1wxx h PRO 68 CO 0.48 0.62 -0.02 0.28 -0.21 0.00 0.00 178.00 179.15 1wxx h VAL 69 N 0.96 1.27 -0.91 3.15 2.07 -1.95 -1.08 116.25 119.76 1wxx h VAL 69 Ca 0.48 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1wxx h VAL 69 Cb 0.46 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1wxx h VAL 69 CO -0.26 0.29 0.60 0.00 0.02 0.00 0.00 177.57 178.22 1wxx h ALA 70 N 0.77 1.41 -0.30 1.67 0.00 -1.85 -0.57 119.26 120.38 1wxx h ALA 70 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1wxx h ALA 70 Cb 0.44 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1wxx h ALA 70 CO 0.02 0.51 0.12 0.00 0.00 0.00 0.00 179.25 179.90 1wxx h ALA 71 N 1.46 0.39 -0.78 0.00 0.00 -0.88 -0.94 119.26 118.52 1wxx h ALA 71 Ca 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1wxx h ALA 71 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1wxx h ALA 71 CO -0.10 -0.01 0.31 1.25 0.00 0.00 0.00 179.25 180.70 1wxx h LEU 72 N 0.34 1.08 -1.16 0.00 5.85 -0.51 -2.02 115.31 118.89 1wxx h LEU 72 Ca 0.10 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1wxx h LEU 72 Cb 0.18 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1wxx h LEU 72 CO -0.01 0.96 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.88 1wxx h LEU 73 N 1.13 0.00 -0.27 2.25 3.38 -0.94 -2.22 115.31 118.64 1wxx h LEU 73 Ca 0.26 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 1wxx h LEU 73 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1wxx h LEU 73 CO -0.02 0.10 -0.20 -0.33 0.09 0.00 0.00 178.44 178.07 1wxx h GLU 74 N 0.00 0.61 -0.73 1.13 5.08 -0.48 -1.89 114.58 118.30 1wxx h GLU 74 Ca -0.00 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1wxx h GLU 74 Cb 0.67 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1wxx h GLU 74 CO 0.01 0.89 0.48 -0.91 -1.00 0.00 0.00 179.01 178.48 1wxx h ASN 75 N 0.34 0.80 -0.09 1.42 4.21 -0.98 -0.89 115.58 120.38 1wxx h ASN 75 Ca 0.05 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 1wxx h ASN 75 Cb 0.74 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.75 1wxx h ASN 75 CO 0.05 0.57 0.04 0.25 -1.29 0.00 0.00 177.43 177.05 1wxx h LEU 76 N 0.94 0.13 -0.88 1.61 5.85 -1.13 -1.37 115.31 120.46 1wxx h LEU 76 Ca 0.28 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1wxx h LEU 76 Cb -0.03 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 1wxx h LEU 76 CO -0.07 0.26 0.56 0.00 -0.34 0.00 0.00 178.44 178.85 1wxx h ALA 77 N 0.88 1.17 -0.51 1.25 0.00 -0.75 -1.45 119.26 119.84 1wxx h ALA 77 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1wxx h ALA 77 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1wxx h ALA 77 CO -0.00 0.38 0.05 1.96 0.00 0.00 0.00 179.25 181.64 1wxx h GLN 78 N 1.07 0.82 -0.19 0.00 4.20 -0.98 -0.96 115.11 119.07 1wxx h GLN 78 Ca 0.36 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 1wxx h GLN 78 Cb 0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1wxx h GLN 78 CO -0.13 0.79 -0.03 0.00 -0.67 0.00 0.00 178.83 178.79 1wxx h ALA 79 N 1.28 0.26 -0.77 3.87 0.00 -0.52 -2.88 119.26 120.49 1wxx h ALA 79 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1wxx h ALA 79 Cb 0.39 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1wxx h ALA 79 CO 0.01 0.01 0.38 -0.07 0.00 0.00 0.00 179.25 179.58 1wxx h LEU 80 N 0.08 0.98 -1.73 0.00 3.38 -1.10 -2.38 115.31 114.54 1wxx h LEU 80 Ca 0.05 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1wxx h LEU 80 Cb 0.45 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1wxx h LEU 80 CO 0.02 0.82 0.27 0.00 0.09 0.00 0.00 178.44 179.64 1wxx h ALA 81 N 1.33 1.95 0.00 1.53 0.00 -1.06 -0.36 119.26 122.64 1wxx h ALA 81 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wxx h ALA 81 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wxx h ALA 81 CO -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1wxx h ARG 82 N 0.34 0.00 -0.01 0.00 3.08 -1.21 -2.95 114.38 113.63 1wxx h ARG 82 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1wxx h ARG 82 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1wxx h ARG 82 CO -0.04 0.00 -0.43 0.54 -1.07 0.00 0.00 179.97 178.97 1wxx n ARG 83 N -2.81 1.87 -0.14 0.04 3.00 -0.20 -4.67 116.66 113.76 1wxx n ARG 83 Ca 0.01 -0.54 -0.04 0.00 -0.01 0.00 0.00 57.85 57.26 1wxx n ARG 83 Cb 0.25 -1.23 0.02 0.00 0.00 0.00 0.00 32.46 31.50 1wxx n ARG 83 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1wxx h GLU 84 N 1.18 -0.08 -0.20 5.56 5.08 -1.23 -2.37 114.58 122.52 1wxx h GLU 84 Ca 0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1wxx h GLU 84 Cb 0.47 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1wxx h GLU 84 CO 0.00 -0.05 -0.14 0.00 -1.00 0.00 0.00 179.01 177.82 1wxx h ALA 85 N 1.27 0.02 0.00 3.43 0.00 -1.83 -2.53 119.26 119.61 1wxx h ALA 85 Ca 0.22 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1wxx h ALA 85 Cb 0.42 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1wxx h ALA 85 CO -0.50 -0.56 -0.35 -0.39 0.00 0.00 0.00 179.25 177.45 1wxx h VAL 86 N -0.13 1.21 -0.16 0.00 -1.51 -1.82 -2.81 116.25 111.03 1wxx h VAL 86 Ca 0.12 -1.21 -0.13 0.00 -1.23 0.00 0.00 66.70 64.25 1wxx h VAL 86 Cb 0.31 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1wxx h VAL 86 CO -0.28 0.34 -0.46 -0.07 -1.23 0.00 0.00 177.57 175.87 1wxx h LEU 87 N 0.00 0.42 -0.25 4.19 3.38 -1.01 0.23 115.31 122.27 1wxx h LEU 87 Ca -0.00 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1wxx h LEU 87 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1wxx h LEU 87 CO 0.05 0.83 -0.40 0.03 0.09 0.00 0.00 178.44 179.03 1wxx h ARG 88 N 0.32 0.00 0.02 1.13 3.08 -1.40 -2.55 114.38 114.99 1wxx h ARG 88 Ca 0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.76 1wxx h ARG 88 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 1wxx h ARG 88 CO 0.08 0.40 -1.80 0.94 -1.07 0.00 0.00 179.97 178.52 1wxx n GLN 89 N -3.26 0.66 -3.19 0.04 7.27 -1.07 -4.61 117.38 113.21 1wxx n GLN 89 Ca 0.02 0.27 -0.21 0.00 0.07 0.00 0.00 57.00 57.15 1wxx n GLN 89 Cb 0.65 -1.76 -0.05 0.00 2.41 0.00 0.00 30.24 31.49 1wxx n GLN 89 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1wxx n ASP 90 N -3.10 0.74 -0.07 1.69 2.03 0.78 -4.98 116.55 113.63 1wxx n ASP 90 Ca -0.20 -2.91 0.19 0.00 0.52 0.00 0.00 54.79 52.39 1wxx n ASP 90 Cb 1.06 -0.63 0.63 0.00 -0.72 0.00 0.00 41.12 41.46 1wxx n ASP 90 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1wxx h PRO 91 N 3.44 0.14 -0.30 -0.67 0.11 -1.64 -1.62 132.00 131.46 1wxx h PRO 91 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1wxx h PRO 91 Cb 0.91 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1wxx h PRO 91 CO 0.50 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 1wxx n GLU 92 N -4.40 2.06 -1.94 1.05 -0.58 -1.26 -3.59 120.64 111.97 1wxx n GLU 92 Ca 0.12 -1.61 -0.27 0.00 -0.42 0.00 0.00 57.16 54.98 1wxx n GLU 92 Cb 0.61 -1.43 0.18 0.00 -0.57 0.00 0.00 31.44 30.24 1wxx n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wxx n GLY 93 N 1.28 -1.14 3.08 0.62 0.00 -0.61 -0.47 105.19 107.95 1wxx n GLY 93 Ca 0.17 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 1wxx n GLY 93 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wxx s GLY 94 N -5.67 1.32 0.04 -0.02 0.00 -1.26 -1.19 107.32 100.54 1wxx s GLY 94 Ca 0.71 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1wxx s GLY 94 CO 0.50 0.41 -0.04 -0.19 0.00 0.00 0.00 173.10 173.77 1wxx s TYR 95 N 1.35 0.48 -0.20 1.90 1.51 -0.35 -4.99 117.35 117.04 1wxx s TYR 95 Ca 0.04 -0.75 -0.17 0.00 -1.01 0.00 0.00 57.07 55.18 1wxx s TYR 95 Cb -0.14 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1wxx s TYR 95 CO -0.11 -0.24 0.43 0.50 -1.11 0.00 0.00 175.55 175.02 1wxx s ARG 96 N -2.58 4.17 -0.03 -0.62 3.52 -1.26 0.67 118.95 122.83 1wxx s ARG 96 Ca -0.04 0.25 0.11 0.00 -0.13 0.00 0.00 55.73 55.92 1wxx s ARG 96 Cb -0.02 -3.55 -0.23 0.00 -1.56 0.00 0.00 34.95 29.59 1wxx s ARG 96 CO -0.04 -0.07 0.73 -0.07 -0.81 0.00 0.00 175.30 175.03 1wxx h LEU 97 N 7.73 0.03 -7.51 -0.88 3.38 -0.74 -3.45 115.31 113.87 1wxx h LEU 97 Ca -0.35 -0.06 -0.34 0.00 0.09 0.00 0.00 57.88 57.22 1wxx h LEU 97 Cb 1.16 -0.01 -0.35 0.00 0.09 0.00 0.00 40.66 41.55 1wxx h LEU 97 CO 0.72 1.05 -0.74 -0.69 0.09 0.00 0.00 178.44 178.87 1wxx s VAL 98 N -2.61 0.06 -0.51 1.22 1.01 -0.93 -4.31 120.40 114.33 1wxx s VAL 98 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1wxx s VAL 98 Cb 0.08 -0.21 0.39 0.00 0.00 0.00 0.00 36.38 36.64 1wxx s VAL 98 CO 0.82 0.14 1.09 1.57 0.00 0.00 0.00 175.10 178.73 1wxx n HIS 99 N 4.47 3.61 0.00 5.22 -0.00 -1.26 -1.77 115.22 125.48 1wxx n HIS 99 Ca -0.21 -3.38 0.00 0.00 0.46 0.00 0.00 57.72 54.59 1wxx n HIS 99 Cb 0.50 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 1wxx n HIS 99 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wxx n ALA 100 N -0.40 0.00 -0.29 1.57 0.00 0.38 -1.82 120.51 119.95 1wxx n ALA 100 Ca 0.37 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.93 1wxx n ALA 100 Cb 0.55 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.28 1wxx n ALA 100 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wxx h GLU 101 N 0.00 0.22 -0.57 0.00 3.07 -1.86 0.41 114.58 115.84 1wxx h GLU 101 Ca 0.00 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.01 1wxx h GLU 101 Cb 0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1wxx h GLU 101 CO 0.00 0.15 0.43 0.78 -1.40 0.00 0.00 179.01 178.97 1wxx h GLY 102 N 0.23 0.00 -2.21 -3.84 0.00 -1.58 0.16 103.07 95.84 1wxx h GLY 102 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1wxx h GLY 102 CO -0.63 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.13 1wxx n ASP 103 N -4.26 4.43 -3.76 0.19 8.00 -0.10 -4.77 116.55 116.28 1wxx n ASP 103 Ca 0.11 -2.94 -0.28 0.00 0.71 0.00 0.00 54.79 52.39 1wxx n ASP 103 Cb 0.67 -0.58 0.04 0.00 -0.02 0.00 0.00 41.12 41.23 1wxx n ASP 103 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wxx n LEU 104 N -0.09 -2.67 -3.09 0.64 4.77 0.57 -4.85 117.00 112.28 1wxx n LEU 104 Ca 0.23 -0.67 -0.20 0.00 -0.03 0.00 0.00 56.01 55.34 1wxx n LEU 104 Cb 0.97 -2.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.37 1wxx n LEU 104 CO 0.20 0.48 -0.12 0.18 -1.33 0.00 0.00 177.39 176.80 1wxx n LEU 105 N -4.66 1.86 -4.60 2.23 4.77 -0.06 -4.79 117.00 111.76 1wxx n LEU 105 Ca 0.02 -5.12 -0.46 0.00 -0.03 0.00 0.00 56.01 50.43 1wxx n LEU 105 Cb 0.54 0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.96 1wxx n LEU 105 CO 0.70 2.27 0.68 -2.65 -1.33 0.00 0.00 177.39 177.06 1wxx n PRO 106 N 0.11 1.42 -0.86 3.23 -0.02 -1.25 -2.14 135.00 135.50 1wxx n PRO 106 Ca 0.26 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1wxx n PRO 106 Cb 0.60 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1wxx n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wxx n GLY 107 N 1.54 0.82 2.98 -1.23 0.00 -1.26 -4.84 105.19 103.20 1wxx n GLY 107 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1wxx n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wxx s LEU 108 N 0.00 1.67 -0.02 0.99 2.96 -0.91 -0.18 118.68 123.19 1wxx s LEU 108 Ca 0.00 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1wxx s LEU 108 Cb 0.00 -0.56 0.01 0.00 0.50 0.00 0.00 46.19 46.14 1wxx s LEU 108 CO 0.00 0.03 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.34 1wxx s VAL 109 N 0.42 0.33 -0.04 1.68 1.01 -0.76 -0.47 120.40 122.56 1wxx s VAL 109 Ca -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1wxx s VAL 109 Cb -0.11 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1wxx s VAL 109 CO 0.01 0.13 0.01 -0.69 0.00 0.00 0.00 175.10 174.56 1wxx s VAL 110 N 0.35 0.15 0.12 2.92 1.01 -0.73 -0.95 120.40 123.27 1wxx s VAL 110 Ca -0.04 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1wxx s VAL 110 Cb -0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1wxx s VAL 110 CO -0.01 0.18 -0.08 -1.81 0.00 0.00 0.00 175.10 173.38 1wxx s ASP 111 N 1.51 4.48 -0.15 3.32 1.11 -0.65 -0.03 116.67 126.25 1wxx s ASP 111 Ca -0.03 -0.38 0.02 0.00 0.18 0.00 0.00 52.55 52.33 1wxx s ASP 111 Cb -0.13 -0.88 0.01 0.00 1.07 0.00 0.00 42.92 43.00 1wxx s ASP 111 CO -0.03 0.16 -0.21 -0.47 1.18 0.00 0.00 175.17 175.81 1wxx s TYR 112 N -1.31 2.65 -0.40 4.23 6.14 0.21 -0.60 117.35 128.28 1wxx s TYR 112 Ca 0.23 -1.43 0.03 0.00 0.64 0.00 0.00 57.07 56.54 1wxx s TYR 112 Cb -0.11 -1.82 0.11 0.00 0.42 0.00 0.00 41.96 40.56 1wxx s TYR 112 CO 0.15 -0.68 0.14 0.71 0.64 0.00 0.00 175.55 176.51 1wxx s TYR 113 N 1.02 3.05 -1.48 4.97 2.02 0.31 -1.21 117.35 126.02 1wxx s TYR 113 Ca -0.02 -2.77 -0.01 0.00 -0.37 0.00 0.00 57.07 53.89 1wxx s TYR 113 Cb -0.14 -2.57 0.01 0.00 -0.40 0.00 0.00 41.96 38.86 1wxx s TYR 113 CO -0.06 -0.86 0.27 0.00 -1.57 0.00 0.00 175.55 173.33 1wxx n ALA 114 N 3.95 -1.96 -0.03 3.71 0.00 -0.33 -1.46 120.51 124.39 1wxx n ALA 114 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1wxx n ALA 114 Cb 0.38 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1wxx n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wxx n GLY 115 N -2.18 0.45 3.20 0.00 0.00 -1.24 -4.85 105.19 100.57 1wxx n GLY 115 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1wxx n GLY 115 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wxx s HIS 116 N -2.17 3.00 0.09 1.61 3.76 -0.53 0.27 115.29 121.32 1wxx s HIS 116 Ca 0.00 -1.50 -0.08 0.00 -0.15 0.00 0.00 55.06 53.33 1wxx s HIS 116 Cb 0.00 -2.04 -0.06 0.00 1.11 0.00 0.00 32.58 31.60 1wxx s HIS 116 CO 0.00 -0.72 0.38 0.00 -0.85 0.00 0.00 174.74 173.55 1wxx s ALA 117 N 1.33 3.76 -0.14 -1.40 0.00 -0.57 -0.53 121.76 124.21 1wxx s ALA 117 Ca 0.02 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1wxx s ALA 117 Cb -0.16 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1wxx s ALA 117 CO -0.06 0.61 -0.10 0.08 0.00 0.00 0.00 175.76 176.29 1wxx s VAL 118 N -1.48 1.30 -0.15 0.00 1.01 0.23 -0.73 120.40 120.59 1wxx s VAL 118 Ca 0.35 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1wxx s VAL 118 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1wxx s VAL 118 CO 0.20 0.34 0.15 -0.69 0.00 0.00 0.00 175.10 175.10 1wxx s VAL 119 N 1.58 5.46 -0.19 2.92 1.01 0.15 -1.64 120.40 129.70 1wxx s VAL 119 Ca 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 1wxx s VAL 119 Cb -0.13 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1wxx s VAL 119 CO -0.09 0.55 0.00 -1.10 0.00 0.00 0.00 175.10 174.47 1wxx s GLN 120 N -0.52 0.94 -0.17 2.72 -0.21 -0.12 -0.30 119.66 121.99 1wxx s GLN 120 Ca 0.13 -0.50 -0.07 0.00 0.02 0.00 0.00 55.36 54.94 1wxx s GLN 120 Cb -0.12 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 1wxx s GLN 120 CO 0.02 -0.58 0.05 0.00 -2.12 0.00 0.00 175.29 172.67 1wxx s ALA 121 N 1.75 3.38 0.00 6.09 0.00 -1.26 -1.83 121.76 129.89 1wxx s ALA 121 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1wxx s ALA 121 Cb -0.17 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1wxx s ALA 121 CO -0.07 0.22 0.71 0.25 0.00 0.00 0.00 175.76 176.86 1wxx n THR 122 N 3.42 0.49 -5.12 0.00 -2.24 0.74 -4.87 114.28 106.70 1wxx n THR 122 Ca -0.17 -0.64 -0.30 0.00 -2.27 0.00 0.00 64.05 60.68 1wxx n THR 122 Cb 0.52 0.84 -0.17 0.00 -2.10 0.00 0.00 70.33 69.42 1wxx n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wxx s ALA 123 N -0.49 1.97 0.24 6.98 0.00 -1.22 -4.75 121.76 124.49 1wxx s ALA 123 Ca 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 1wxx s ALA 123 Cb 0.00 -0.66 0.42 0.00 0.00 0.00 0.00 23.12 22.88 1wxx s ALA 123 CO 0.00 0.34 1.65 1.25 0.00 0.00 0.00 175.76 179.00 1wxx h HIS 124 N 6.32 0.02 -0.63 0.00 2.76 -1.92 -2.03 115.15 119.67 1wxx h HIS 124 Ca -0.29 0.05 0.18 0.00 -2.20 0.00 0.00 60.37 58.12 1wxx h HIS 124 Cb 1.19 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 30.23 1wxx h HIS 124 CO 0.44 -0.20 0.47 0.00 -1.30 0.00 0.00 177.93 177.35 1wxx h ALA 125 N 1.66 2.58 0.00 5.26 0.00 -1.88 -2.10 119.26 124.77 1wxx h ALA 125 Ca 0.40 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 1wxx h ALA 125 Cb 0.69 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1wxx h ALA 125 CO -0.61 -0.80 -0.56 -1.49 0.00 0.00 0.00 179.25 175.80 1wxx h TRP 126 N 0.00 0.00 -0.47 0.00 4.06 -1.73 -3.34 115.95 114.47 1wxx h TRP 126 Ca 0.30 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.35 1wxx h TRP 126 Cb 1.24 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 29.30 1wxx h TRP 126 CO 0.00 0.56 -0.26 1.49 -3.56 0.00 0.00 178.44 176.66 1wxx h GLU 127 N 0.00 -0.15 0.00 0.49 4.57 -1.50 0.11 114.58 118.10 1wxx h GLU 127 Ca -0.01 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1wxx h GLU 127 Cb 1.02 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1wxx h GLU 127 CO 0.07 -0.10 0.00 0.41 -1.18 0.00 0.00 179.01 178.21 1wxx n GLY 128 N -1.41 -0.87 0.66 1.92 0.00 -1.25 -2.60 105.19 101.63 1wxx n GLY 128 Ca 0.03 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1wxx n GLY 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wxx n LEU 129 N -1.22 2.43 -0.26 0.99 4.77 0.34 -4.59 117.00 119.47 1wxx n LEU 129 Ca 0.11 -1.12 0.11 0.00 -0.03 0.00 0.00 56.01 55.08 1wxx n LEU 129 Cb 0.14 -0.04 0.37 0.00 -2.33 0.00 0.00 43.42 41.56 1wxx n LEU 129 CO 0.14 0.46 1.22 -0.07 -1.33 0.00 0.00 177.39 177.82 1wxx h LEU 130 N 3.07 0.66 -0.70 2.23 3.38 -1.15 -0.19 115.31 122.61 1wxx h LEU 130 Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1wxx h LEU 130 Cb 0.68 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1wxx h LEU 130 CO 0.00 0.36 0.29 -0.65 0.09 0.00 0.00 178.44 178.52 1wxx h PRO 131 N 0.71 1.04 -0.44 1.13 0.11 -1.84 -0.09 132.00 132.62 1wxx h PRO 131 Ca 0.42 -0.18 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 1wxx h PRO 131 Cb 0.63 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1wxx h PRO 131 CO -0.19 0.85 -0.03 1.96 -0.21 0.00 0.00 178.00 180.39 1wxx h GLN 132 N 0.99 0.74 -0.35 1.05 7.50 -1.46 -1.67 115.11 121.90 1wxx h GLN 132 Ca 0.23 -0.20 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 1wxx h GLN 132 Cb 0.20 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 1wxx h GLN 132 CO -0.02 0.77 0.14 0.28 -1.50 0.00 0.00 178.83 178.50 1wxx h VAL 133 N 0.69 1.19 -0.67 -0.54 2.07 -0.48 -1.37 116.25 117.13 1wxx h VAL 133 Ca 0.13 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1wxx h VAL 133 Cb 0.47 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1wxx h VAL 133 CO 0.02 0.21 0.44 0.00 0.02 0.00 0.00 177.57 178.27 1wxx h ALA 134 N 0.98 0.86 -0.31 1.67 0.00 -0.70 -1.93 119.26 119.83 1wxx h ALA 134 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wxx h ALA 134 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wxx h ALA 134 CO -0.01 0.29 -0.08 0.93 0.00 0.00 0.00 179.25 180.38 1wxx h GLU 135 N 0.92 0.51 -0.15 0.00 4.39 -1.10 -0.55 114.58 118.60 1wxx h GLU 135 Ca 0.25 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 1wxx h GLU 135 Cb -0.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1wxx h GLU 135 CO -0.05 0.60 -0.32 0.00 -1.16 0.00 0.00 179.01 178.08 1wxx h ALA 136 N 1.44 1.19 0.03 3.43 0.00 -0.72 -3.04 119.26 121.59 1wxx h ALA 136 Ca 0.09 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 1wxx h ALA 136 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wxx h ALA 136 CO 0.02 0.53 -1.00 -0.07 0.00 0.00 0.00 179.25 178.74 1wxx h LEU 137 N 0.25 0.19 -0.84 0.00 3.38 -0.72 -3.38 115.31 114.18 1wxx h LEU 137 Ca 0.03 -0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.00 1wxx h LEU 137 Cb 0.69 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.22 1wxx h LEU 137 CO 0.05 1.07 -0.17 -1.14 0.09 0.00 0.00 178.44 178.34 1wxx n ARG 138 N -3.52 -0.07 0.30 1.13 0.63 -0.28 0.12 116.66 114.97 1wxx n ARG 138 Ca -0.03 1.30 0.19 0.00 -0.92 0.00 0.00 57.85 58.39 1wxx n ARG 138 Cb 0.90 -1.96 1.01 0.00 0.45 0.00 0.00 32.46 32.86 1wxx n ARG 138 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1wxx h PRO 139 N 0.00 0.00 -0.01 -0.14 0.11 -1.77 -2.87 132.00 127.33 1wxx h PRO 139 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1wxx h PRO 139 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1wxx h PRO 139 CO -0.85 0.00 -0.44 0.72 -0.21 0.00 0.00 178.00 177.22 1wxx n HIS 140 N -3.41 0.00 -4.33 0.65 8.25 0.12 -5.06 115.22 111.44 1wxx n HIS 140 Ca -0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 1wxx n HIS 140 Cb 0.17 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.18 1wxx n HIS 140 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1wxx s VAL 141 N -1.98 0.60 -0.16 1.59 -7.23 -1.08 -4.84 120.40 107.30 1wxx s VAL 141 Ca 0.10 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.26 1wxx s VAL 141 Cb 0.11 -2.64 -0.23 0.00 0.56 0.00 0.00 36.38 34.18 1wxx s VAL 141 CO 0.45 0.00 0.17 0.00 -0.31 0.00 0.00 175.10 175.41 1wxx n GLN 142 N -0.50 0.71 -3.85 4.82 6.02 0.14 -4.86 117.38 119.87 1wxx n GLN 142 Ca -0.00 0.21 -0.09 0.00 -0.01 0.00 0.00 57.00 57.11 1wxx n GLN 142 Cb 0.66 -1.64 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 1wxx n GLN 142 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1wxx s SER 143 N -6.71 -0.04 -0.05 1.08 1.04 -1.21 -4.38 113.70 103.44 1wxx s SER 143 Ca -0.24 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1wxx s SER 143 Cb 0.07 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1wxx s SER 143 CO 0.72 -0.89 -0.01 -0.69 0.98 0.00 0.00 173.24 173.35 1wxx s VAL 144 N -3.91 0.36 -0.11 5.02 1.01 0.14 -1.51 120.40 121.40 1wxx s VAL 144 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1wxx s VAL 144 Cb 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1wxx s VAL 144 CO -0.04 0.21 -0.07 -0.22 0.00 0.00 0.00 175.10 174.98 1wxx s LEU 145 N 1.32 3.09 -0.61 3.92 2.96 0.09 -0.05 118.68 129.41 1wxx s LEU 145 Ca -0.05 -0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.55 1wxx s LEU 145 Cb -0.13 -1.70 0.12 0.00 0.50 0.00 0.00 46.19 44.97 1wxx s LEU 145 CO -0.02 0.25 0.67 0.00 -1.32 0.00 0.00 176.35 175.93 1wxx s ALA 146 N -0.13 3.51 -0.99 5.97 0.00 0.19 0.31 121.76 130.62 1wxx s ALA 146 Ca 0.01 -2.40 -0.14 0.00 0.00 0.00 0.00 51.96 49.44 1wxx s ALA 146 Cb -0.13 -3.48 0.21 0.00 0.00 0.00 0.00 23.12 19.71 1wxx s ALA 146 CO 0.03 -2.29 1.05 0.21 0.00 0.00 0.00 175.76 174.76 1wxx s LYS 147 N 2.26 3.85 -0.68 0.00 2.20 0.58 -1.46 119.74 126.50 1wxx s LYS 147 Ca 0.10 -2.55 0.02 0.00 -0.36 0.00 0.00 55.97 53.19 1wxx s LYS 147 Cb -0.24 -4.67 0.37 0.00 -1.51 0.00 0.00 37.83 31.78 1wxx s LYS 147 CO 0.04 -1.46 1.47 0.09 -0.36 0.00 0.00 175.35 175.13 1wxx n ASN 148 N 4.44 5.94 -0.43 1.43 3.02 0.02 -4.34 115.26 125.34 1wxx n ASN 148 Ca 0.23 -3.75 0.04 0.00 -0.03 0.00 0.00 54.58 51.07 1wxx n ASN 148 Cb 0.45 -0.77 0.10 0.00 -0.61 0.00 0.00 39.78 38.94 1wxx n ASN 148 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1wxx n ASP 149 N -0.40 2.49 -4.74 6.41 3.85 -1.15 -1.26 116.55 121.74 1wxx n ASP 149 Ca 0.43 -1.89 -0.41 0.00 -0.71 0.00 0.00 54.79 52.21 1wxx n ASP 149 Cb 0.42 -0.14 -0.02 0.00 -1.35 0.00 0.00 41.12 40.03 1wxx n ASP 149 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1wxx s ALA 150 N -0.94 3.63 0.61 2.12 0.00 -1.26 -4.88 121.76 121.04 1wxx s ALA 150 Ca 0.15 1.30 0.32 0.00 0.00 0.00 0.00 51.96 53.73 1wxx s ALA 150 Cb 0.08 -3.56 1.82 0.00 0.00 0.00 0.00 23.12 21.47 1wxx s ALA 150 CO 0.11 -0.72 2.16 0.00 0.00 0.00 0.00 175.76 177.31 1wxx h ARG 151 N 5.37 0.00 0.00 0.00 3.08 -2.02 -1.26 114.38 119.55 1wxx h ARG 151 Ca -0.45 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 1wxx h ARG 151 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1wxx h ARG 151 CO 0.80 0.00 -0.00 1.79 -1.07 0.00 0.00 179.97 181.48 1wxx h THR 152 N 0.00 0.24 0.00 2.04 1.35 -1.97 -0.88 112.91 113.69 1wxx h THR 152 Ca 0.05 -0.03 -0.06 0.00 -0.55 0.00 0.00 66.41 65.81 1wxx h THR 152 Cb 0.33 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1wxx h THR 152 CO -0.00 0.00 -0.30 0.03 -0.25 0.00 0.00 175.52 175.00 1wxx h ARG 153 N 0.00 0.00 -0.76 4.72 3.08 -1.52 -2.77 114.38 117.13 1wxx h ARG 153 Ca -0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1wxx h ARG 153 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1wxx h ARG 153 CO 0.00 0.30 0.50 0.93 -1.07 0.00 0.00 179.97 180.63 1wxx h GLU 154 N 0.00 0.94 -0.57 0.04 5.08 -1.34 -1.48 114.58 117.25 1wxx h GLU 154 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1wxx h GLU 154 Cb 0.59 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1wxx h GLU 154 CO 0.04 0.62 0.32 -0.07 -1.00 0.00 0.00 179.01 178.92 1wxx h LEU 155 N 0.97 0.69 -0.39 1.33 3.38 -1.63 -1.53 115.31 118.14 1wxx h LEU 155 Ca 0.29 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1wxx h LEU 155 Cb -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1wxx h LEU 155 CO -0.08 0.55 -0.04 -0.62 0.09 0.00 0.00 178.44 178.35 1wxx n GLU 156 N -4.40 1.12 -2.37 1.13 -0.58 -0.72 -4.67 120.64 110.15 1wxx n GLU 156 Ca 0.05 -0.39 -0.08 0.00 -0.42 0.00 0.00 57.16 56.32 1wxx n GLU 156 Cb 0.09 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.48 1wxx n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wxx n GLY 157 N 1.15 0.18 3.82 0.62 0.00 -0.58 -4.77 105.19 105.61 1wxx n GLY 157 Ca 0.19 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1wxx n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wxx s LEU 158 N -2.45 4.00 0.64 0.99 1.43 -0.64 -5.03 118.68 117.62 1wxx s LEU 158 Ca 0.06 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 1wxx s LEU 158 Cb -0.03 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 1wxx s LEU 158 CO 0.08 0.19 1.05 -2.16 0.23 0.00 0.00 176.35 175.75 1wxx s PRO 159 N -2.28 3.17 -0.16 1.29 0.04 -1.26 -4.30 135.00 131.51 1wxx s PRO 159 Ca 0.30 1.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.34 1wxx s PRO 159 Cb -0.12 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1wxx s PRO 159 CO 0.22 -0.92 0.05 -0.51 0.04 0.00 0.00 177.00 175.88 1wxx s LEU 160 N -4.99 3.79 -0.01 -3.56 1.43 -1.26 -4.87 118.68 109.21 1wxx s LEU 160 Ca 0.60 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 1wxx s LEU 160 Cb -0.15 -1.93 0.11 0.00 0.03 0.00 0.00 46.19 44.25 1wxx s LEU 160 CO 0.46 0.24 1.13 -0.72 0.23 0.00 0.00 176.35 177.68 1wxx s TYR 161 N -0.01 -0.13 -0.17 0.29 -0.85 -0.39 -4.93 117.35 111.15 1wxx s TYR 161 Ca 0.06 -0.01 -0.04 0.00 -0.52 0.00 0.00 57.07 56.55 1wxx s TYR 161 Cb -0.12 0.56 0.06 0.00 0.38 0.00 0.00 41.96 42.84 1wxx s TYR 161 CO 0.01 -0.44 0.07 0.08 -1.52 0.00 0.00 175.55 173.75 1wxx s VAL 162 N -2.74 0.16 -0.05 -3.49 1.01 -1.26 -0.80 120.40 113.22 1wxx s VAL 162 Ca 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1wxx s VAL 162 Cb 0.01 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1wxx s VAL 162 CO -0.03 -0.23 0.20 -0.13 0.00 0.00 0.00 175.10 174.90 1wxx s ARG 163 N 2.03 0.32 0.56 2.72 1.81 -0.53 -4.99 118.95 120.86 1wxx s ARG 163 Ca 0.01 0.10 -0.20 0.00 -1.72 0.00 0.00 55.73 53.91 1wxx s ARG 163 Cb -0.16 0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.44 1wxx s ARG 163 CO -0.08 -0.06 1.25 -2.14 -0.68 0.00 0.00 175.30 173.59 1wxx s PRO 164 N -0.32 3.15 -0.09 3.54 0.02 -1.26 -0.64 135.00 139.40 1wxx s PRO 164 Ca -0.04 1.96 0.06 0.00 0.02 0.00 0.00 61.00 63.00 1wxx s PRO 164 Cb -0.03 -2.12 -0.10 0.00 0.02 0.00 0.00 34.50 32.27 1wxx s PRO 164 CO 0.01 -1.10 0.00 1.28 -0.33 0.00 0.00 177.00 176.87 1wxx n LEU 165 N -1.22 0.59 -3.72 -5.54 4.77 0.93 -4.76 117.00 108.06 1wxx n LEU 165 Ca 0.12 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1wxx n LEU 165 Cb 0.48 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1wxx n LEU 165 CO 0.48 0.30 0.13 -0.22 -1.33 0.00 0.00 177.39 176.75 1wxx s LEU 166 N -4.82 0.28 0.00 2.23 0.20 -0.96 -4.95 118.68 110.66 1wxx s LEU 166 Ca -0.06 0.89 0.00 0.00 0.69 0.00 0.00 54.13 55.64 1wxx s LEU 166 Cb 0.03 1.55 0.00 0.00 -0.43 0.00 0.00 46.19 47.34 1wxx s LEU 166 CO 0.33 -0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.83 1wxx n GLY 167 N 2.78 -0.36 3.45 7.98 0.00 -1.26 -0.69 105.19 117.10 1wxx n GLY 167 Ca -0.14 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 1wxx n GLY 167 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wxx s GLU 168 N 0.00 3.24 -0.22 1.61 2.56 -1.26 -4.83 118.70 119.79 1wxx s GLU 168 Ca 0.00 -0.80 -0.25 0.00 0.00 0.00 0.00 54.97 53.92 1wxx s GLU 168 Cb 0.00 -3.70 -0.01 0.00 2.00 0.00 0.00 34.13 32.42 1wxx s GLU 168 CO 0.00 -0.51 0.84 0.08 -0.56 0.00 0.00 175.26 175.11 1wxx s VAL 169 N 1.64 4.84 0.73 3.70 1.01 -1.26 -4.72 120.40 126.33 1wxx s VAL 169 Ca 0.05 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.51 1wxx s VAL 169 Cb -0.18 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.10 1wxx s VAL 169 CO 0.08 -0.05 1.10 -2.16 0.00 0.00 0.00 175.10 174.06 1wxx s PRO 170 N 2.69 2.67 -0.00 2.72 0.04 -1.26 -5.00 135.00 136.85 1wxx s PRO 170 Ca 0.36 0.50 -0.19 0.00 0.04 0.00 0.00 61.00 61.71 1wxx s PRO 170 Cb -0.16 -2.00 -0.32 0.00 0.04 0.00 0.00 34.50 32.07 1wxx s PRO 170 CO 0.08 -1.18 0.98 0.93 0.04 0.00 0.00 177.00 177.85 1wxx h GLU 171 N -0.76 0.44 -5.54 4.56 5.08 -1.95 -3.42 114.58 112.99 1wxx h GLU 171 Ca -0.45 -0.70 -0.44 0.00 -1.00 0.00 0.00 59.36 56.77 1wxx h GLU 171 Cb 1.26 0.25 -0.19 0.00 0.50 0.00 0.00 28.75 30.57 1wxx h GLU 171 CO 0.63 1.32 -0.77 1.03 -1.00 0.00 0.00 179.01 180.22 1wxx s ARG 172 N -2.62 1.02 -0.05 2.33 1.81 -1.26 -0.82 118.95 119.34 1wxx s ARG 172 Ca -0.11 -1.19 -0.03 0.00 -1.72 0.00 0.00 55.73 52.68 1wxx s ARG 172 Cb 0.03 -0.98 0.03 0.00 -0.45 0.00 0.00 34.95 33.57 1wxx s ARG 172 CO 0.89 0.20 0.12 0.08 -0.68 0.00 0.00 175.30 175.91 1wxx s VAL 173 N -1.85 -0.03 -0.20 3.52 1.01 -0.41 -4.97 120.40 117.47 1wxx s VAL 173 Ca 0.07 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.98 1wxx s VAL 173 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1wxx s VAL 173 CO 0.03 0.05 0.55 -1.10 0.00 0.00 0.00 175.10 174.63 1wxx s GLN 174 N 0.75 4.20 -0.12 2.72 -0.21 -1.26 -0.52 119.66 125.21 1wxx s GLN 174 Ca -0.06 0.48 -0.02 0.00 0.02 0.00 0.00 55.36 55.78 1wxx s GLN 174 Cb -0.08 -3.57 -0.03 0.00 1.00 0.00 0.00 33.01 30.34 1wxx s GLN 174 CO -0.03 -0.17 -0.05 0.08 -2.12 0.00 0.00 175.29 173.00 1wxx s VAL 175 N 1.70 3.85 -0.09 1.09 1.01 -0.20 -4.76 120.40 123.00 1wxx s VAL 175 Ca 0.25 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 1wxx s VAL 175 Cb -0.16 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1wxx s VAL 175 CO 0.10 0.54 0.46 -1.58 0.00 0.00 0.00 175.10 174.62 1wxx s GLN 176 N -0.14 4.25 -0.33 2.72 2.00 0.39 -1.39 119.66 127.16 1wxx s GLN 176 Ca 0.02 0.44 -0.01 0.00 -2.00 0.00 0.00 55.36 53.81 1wxx s GLN 176 Cb -0.13 -3.39 0.13 0.00 0.80 0.00 0.00 33.01 30.42 1wxx s GLN 176 CO 0.03 0.29 0.20 -2.00 -0.50 0.00 0.00 175.29 173.30 1wxx s GLU 177 N 0.21 0.41 7.48 1.67 2.12 0.31 -4.06 118.70 126.83 1wxx s GLU 177 Ca 0.25 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.64 1wxx s GLU 177 Cb -0.16 -1.17 0.00 0.00 0.26 0.00 0.00 34.13 33.06 1wxx s GLU 177 CO 0.11 -1.13 0.00 0.41 -0.54 0.00 0.00 175.26 174.11 1wxx n GLY 178 N 4.57 2.77 0.33 -1.50 0.00 -1.26 -2.24 105.19 107.86 1wxx n GLY 178 Ca 0.05 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1wxx n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wxx n ARG 179 N 13.36 1.44 -4.38 1.61 1.74 -1.26 -4.90 116.66 124.29 1wxx n ARG 179 Ca 0.00 -0.66 -0.19 0.00 -0.77 0.00 0.00 57.85 56.23 1wxx n ARG 179 Cb 0.00 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 1wxx n ARG 179 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1wxx s VAL 180 N -1.90 1.00 0.09 1.55 -7.23 -0.95 -5.12 120.40 107.83 1wxx s VAL 180 Ca 0.33 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1wxx s VAL 180 Cb 0.17 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1wxx s VAL 180 CO 0.27 -0.12 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.66 1wxx s ARG 181 N -3.91 0.88 0.04 4.82 0.52 -1.26 -0.53 118.95 119.51 1wxx s ARG 181 Ca 0.34 -1.04 -0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1wxx s ARG 181 Cb 0.07 -0.86 -0.03 0.00 0.52 0.00 0.00 34.95 34.65 1wxx s ARG 181 CO 0.13 0.18 -0.04 1.52 0.02 0.00 0.00 175.30 177.11 1wxx s TYR 182 N -1.52 0.42 -0.30 -0.53 -0.85 -0.49 -4.78 117.35 109.31 1wxx s TYR 182 Ca 0.01 -0.74 -0.12 0.00 -0.52 0.00 0.00 57.07 55.70 1wxx s TYR 182 Cb -0.08 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.92 1wxx s TYR 182 CO 0.02 -0.25 0.24 -1.17 -1.52 0.00 0.00 175.55 172.87 1wxx s LEU 183 N -2.08 4.18 0.08 -3.49 2.96 -1.26 -1.03 118.68 118.04 1wxx s LEU 183 Ca -0.06 -0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.62 1wxx s LEU 183 Cb -0.03 -2.18 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 1wxx s LEU 183 CO -0.04 -0.13 0.48 -0.69 -1.32 0.00 0.00 176.35 174.64 1wxx s VAL 184 N 1.81 4.95 -0.28 1.68 1.01 0.32 -4.85 120.40 125.03 1wxx s VAL 184 Ca 0.08 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 1wxx s VAL 184 Cb -0.16 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1wxx s VAL 184 CO 0.11 0.38 -0.02 -0.62 0.00 0.00 0.00 175.10 174.95 1wxx s ASP 185 N -1.49 4.69 0.00 3.32 -1.08 -0.84 -1.29 116.67 119.99 1wxx s ASP 185 Ca 0.32 -1.10 0.29 0.00 -0.52 0.00 0.00 52.55 51.53 1wxx s ASP 185 Cb -0.16 -1.70 1.25 0.00 -1.46 0.00 0.00 42.92 40.85 1wxx s ASP 185 CO 0.17 -0.21 1.86 0.18 0.52 0.00 0.00 175.17 177.70 1wxx n LEU 186 N 4.65 0.63 -4.77 -1.34 4.77 -0.00 -3.80 117.00 117.13 1wxx n LEU 186 Ca -0.14 -0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.34 1wxx n LEU 186 Cb 0.45 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1wxx n LEU 186 CO 0.27 0.11 0.86 -0.13 -1.33 0.00 0.00 177.39 177.17 1wxx s ARG 187 N -2.33 4.19 0.13 3.23 0.52 -1.24 -4.96 118.95 118.48 1wxx s ARG 187 Ca 0.33 1.91 -0.31 0.00 -0.52 0.00 0.00 55.73 57.14 1wxx s ARG 187 Cb 0.20 -2.82 -0.08 0.00 0.52 0.00 0.00 34.95 32.78 1wxx s ARG 187 CO 0.44 -0.22 1.58 0.00 0.02 0.00 0.00 175.30 177.11 1wxx h ALA 188 N 2.93 -0.69 0.00 2.13 0.00 -1.98 -2.55 119.26 119.10 1wxx h ALA 188 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wxx h ALA 188 Cb 1.23 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1wxx h ALA 188 CO 0.64 -0.98 0.00 0.41 0.00 0.00 0.00 179.25 179.32 1wxx n GLY 189 N -1.44 -0.71 3.56 0.00 0.00 -1.26 -4.81 105.19 100.52 1wxx n GLY 189 Ca -0.05 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1wxx n GLY 189 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxx s GLN 190 N -2.00 2.04 0.08 1.61 -1.52 -0.96 -5.09 119.66 113.82 1wxx s GLN 190 Ca 0.18 -1.09 -0.31 0.00 -1.95 0.00 0.00 55.36 52.19 1wxx s GLN 190 Cb 0.08 -2.25 -0.08 0.00 -0.22 0.00 0.00 33.01 30.55 1wxx s GLN 190 CO 0.14 0.49 1.53 0.15 -0.25 0.00 0.00 175.29 177.35 1wxx s LYS 191 N -2.27 4.24 0.18 2.91 1.02 -1.26 -4.75 119.74 119.81 1wxx s LYS 191 Ca 0.21 2.21 -0.13 0.00 0.02 0.00 0.00 55.97 58.28 1wxx s LYS 191 Cb -0.11 -3.43 0.11 0.00 -0.52 0.00 0.00 37.83 33.88 1wxx s LYS 191 CO 0.13 -0.62 1.82 1.15 -0.92 0.00 0.00 175.35 176.91 1wxx h THR 192 N 4.56 1.05 -3.06 2.17 2.02 -1.90 -3.34 112.91 114.42 1wxx h THR 192 Ca -0.42 -0.22 -0.26 0.00 0.77 0.00 0.00 66.41 66.29 1wxx h THR 192 Cb 1.20 0.37 0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1wxx h THR 192 CO 0.91 0.11 -0.39 0.61 0.37 0.00 0.00 175.52 177.14 1wxx n GLY 193 N -1.25 -0.08 0.27 2.16 0.00 -1.26 -1.98 105.19 103.06 1wxx n GLY 193 Ca 0.04 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 1wxx n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxx n ALA 194 N -2.96 1.69 -3.90 4.61 0.00 -1.26 -4.83 120.51 113.86 1wxx n ALA 194 Ca -0.07 -0.77 -0.39 0.00 0.00 0.00 0.00 53.44 52.21 1wxx n ALA 194 Cb 0.58 0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.23 1wxx n ALA 194 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wxx n TYR 195 N -3.51 -1.66 0.28 0.00 4.02 -1.26 -4.84 117.16 110.19 1wxx n TYR 195 Ca -0.36 0.30 0.15 0.00 -0.01 0.00 0.00 57.90 57.98 1wxx n TYR 195 Cb 0.80 -3.01 0.84 0.00 -0.02 0.00 0.00 39.34 37.96 1wxx n TYR 195 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1wxx h LEU 196 N -2.07 0.00 -1.93 7.72 3.38 -1.96 -2.55 115.31 117.90 1wxx h LEU 196 Ca -0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1wxx h LEU 196 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1wxx h LEU 196 CO 0.48 0.06 0.00 -2.24 0.09 0.00 0.00 178.44 176.83 1wxx h ASP 197 N 0.00 0.00 -0.38 -0.43 3.04 -1.98 -0.89 116.42 115.77 1wxx h ASP 197 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1wxx h ASP 197 Cb 0.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.47 1wxx h ASP 197 CO 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.21 1wxx n GLN 198 N -2.76 2.38 -0.08 4.15 1.13 -0.96 -4.37 117.38 116.86 1wxx n GLN 198 Ca -0.01 -2.17 -0.09 0.00 -1.94 0.00 0.00 57.00 52.79 1wxx n GLN 198 Cb 0.14 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 1wxx n GLN 198 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1wxx h ARG 199 N 3.76 -0.30 -0.21 -1.09 2.43 -1.26 0.16 114.38 117.88 1wxx h ARG 199 Ca 0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1wxx h ARG 199 Cb 0.88 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1wxx h ARG 199 CO 0.00 -0.20 -0.32 0.93 -1.51 0.00 0.00 179.97 178.87 1wxx h GLU 200 N -0.31 0.42 -0.08 0.20 4.39 -1.83 -2.02 114.58 115.35 1wxx h GLU 200 Ca 0.14 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 1wxx h GLU 200 Cb 0.55 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1wxx h GLU 200 CO -0.48 0.69 -0.54 -0.91 -1.16 0.00 0.00 179.01 176.62 1wxx h ASN 201 N 0.36 0.25 -0.34 1.42 2.35 -1.71 -1.45 115.58 116.47 1wxx h ASN 201 Ca 0.05 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1wxx h ASN 201 Cb 0.74 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1wxx h ASN 201 CO 0.06 0.74 -0.22 0.03 -1.65 0.00 0.00 177.43 176.39 1wxx h ARG 202 N 0.17 0.74 -0.22 0.81 3.08 -0.44 -2.94 114.38 115.58 1wxx h ARG 202 Ca 0.00 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 1wxx h ARG 202 Cb 1.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1wxx h ARG 202 CO 0.08 0.96 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.75 1wxx h LEU 203 N 0.51 0.35 -4.31 3.04 3.38 -1.21 -3.34 115.31 113.72 1wxx h LEU 203 Ca 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wxx h LEU 203 Cb 0.77 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1wxx h LEU 203 CO 0.06 0.50 0.16 0.00 0.09 0.00 0.00 178.44 179.25 1wxx n TYR 204 N -4.24 0.00 0.00 1.13 9.36 -0.56 -4.48 117.16 118.37 1wxx n TYR 204 Ca 0.00 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1wxx n TYR 204 Cb 0.29 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 38.70 1wxx n TYR 204 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1wxx n GLU 206 N 2.32 0.00 0.00 2.98 1.02 -1.26 -4.62 120.64 121.08 1wxx n GLU 206 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1wxx n GLU 206 Cb 0.00 -1.92 0.69 0.00 -0.02 0.00 0.00 31.44 30.19 1wxx n GLU 206 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1wxx n ARG 207 N -0.60 0.23 -3.87 3.49 1.85 -1.26 -4.84 116.66 111.66 1wxx n ARG 207 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 1wxx n ARG 207 Cb 0.00 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 1wxx n ARG 207 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1wxx s PHE 208 N -2.77 3.56 0.04 2.89 0.08 -1.26 -5.10 117.98 115.41 1wxx s PHE 208 Ca 0.22 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.69 1wxx s PHE 208 Cb 0.20 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1wxx s PHE 208 CO 0.49 0.65 -0.05 1.03 -0.10 0.00 0.00 175.22 177.24 1wxx s ARG 209 N -1.81 0.46 0.00 0.44 0.52 -1.26 -4.47 118.95 112.83 1wxx s ARG 209 Ca 0.26 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1wxx s ARG 209 Cb -0.13 -0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.30 1wxx s ARG 209 CO 0.17 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.88 1wxx n GLY 210 N 1.25 -1.30 0.04 -3.53 0.00 -0.76 -4.98 105.19 95.91 1wxx n GLY 210 Ca -0.21 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 1wxx n GLY 210 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wxx h GLU 211 N 0.00 0.00 -6.08 1.61 4.57 -1.94 -2.90 114.58 109.84 1wxx h GLU 211 Ca 0.00 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.50 1wxx h GLU 211 Cb 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 28.75 28.28 1wxx h GLU 211 CO 0.00 0.00 -0.88 1.03 -1.18 0.00 0.00 179.01 177.98 1wxx s ARG 212 N -1.64 2.36 0.03 1.92 0.52 -1.26 -0.95 118.95 119.94 1wxx s ARG 212 Ca -0.05 -0.88 0.05 0.00 -0.52 0.00 0.00 55.73 54.33 1wxx s ARG 212 Cb 0.01 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 1wxx s ARG 212 CO 0.08 0.41 -0.15 0.00 0.02 0.00 0.00 175.30 175.66 1wxx s ALA 213 N -0.25 1.28 -0.15 2.13 0.00 0.39 -0.62 121.76 124.54 1wxx s ALA 213 Ca -0.00 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1wxx s ALA 213 Cb -0.13 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1wxx s ALA 213 CO 0.02 0.27 -0.20 -1.17 0.00 0.00 0.00 175.76 174.68 1wxx s LEU 214 N -0.95 2.06 -0.54 0.00 2.96 0.25 -0.81 118.68 121.64 1wxx s LEU 214 Ca 0.04 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.28 1wxx s LEU 214 Cb -0.07 -1.41 0.14 0.00 0.50 0.00 0.00 46.19 45.35 1wxx s LEU 214 CO 0.01 0.04 0.39 -0.62 -1.32 0.00 0.00 176.35 174.85 1wxx s ASP 215 N 1.02 5.59 -0.00 3.68 2.15 0.62 -0.73 116.67 129.00 1wxx s ASP 215 Ca -0.02 -2.29 -0.25 0.00 0.43 0.00 0.00 52.55 50.42 1wxx s ASP 215 Cb -0.14 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.48 1wxx s ASP 215 CO -0.06 -0.56 0.78 -0.69 -0.17 0.00 0.00 175.17 174.47 1wxx s VAL 216 N 0.79 4.87 -0.74 1.11 1.01 -0.08 -1.14 120.40 126.22 1wxx s VAL 216 Ca 0.11 1.64 -0.00 0.00 0.00 0.00 0.00 61.98 63.72 1wxx s VAL 216 Cb -0.22 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1wxx s VAL 216 CO -0.03 0.29 0.62 0.49 0.00 0.00 0.00 175.10 176.46 1wxx n PHE 217 N 3.36 -1.36 0.26 5.22 3.01 -0.62 -2.84 117.46 124.50 1wxx n PHE 217 Ca -0.01 0.57 0.18 0.00 1.01 0.00 0.00 57.45 59.21 1wxx n PHE 217 Cb 0.51 -3.84 0.92 0.00 -0.01 0.00 0.00 39.48 37.05 1wxx n PHE 217 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1wxx h SER 218 N -1.19 0.00 0.00 4.37 0.87 -0.77 -3.43 113.55 113.40 1wxx h SER 218 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1wxx h SER 218 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1wxx h SER 218 CO 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.61 1wxx n TYR 219 N -3.55 0.00 1.60 2.24 9.36 -1.26 0.43 117.16 125.97 1wxx n TYR 219 Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1wxx n TYR 219 Cb 0.25 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.96 1wxx n TYR 219 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1wxx n ALA 220 N 6.74 2.30 -0.95 2.98 0.00 -1.26 -4.34 120.51 125.98 1wxx n ALA 220 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wxx n ALA 220 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1wxx n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wxx n GLY 221 N 0.30 0.43 0.13 0.00 0.00 0.17 -3.37 105.19 102.85 1wxx n GLY 221 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1wxx n GLY 221 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wxx h GLY 222 N 0.00 0.06 1.03 -0.02 0.00 -1.88 -0.65 103.07 101.61 1wxx h GLY 222 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1wxx h GLY 222 CO 0.00 -0.10 0.29 0.74 0.00 0.00 0.00 176.54 177.47 1wxx h PHE 223 N -0.07 1.11 -0.81 5.60 0.04 -1.93 -2.79 116.94 118.09 1wxx h PHE 223 Ca 0.09 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1wxx h PHE 223 Cb 0.20 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 1wxx h PHE 223 CO -0.22 0.85 0.54 0.00 -0.60 0.00 0.00 178.31 178.88 1wxx h ALA 224 N 1.14 1.50 -0.68 2.45 0.00 -1.78 -1.62 119.26 120.27 1wxx h ALA 224 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wxx h ALA 224 Cb 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1wxx h ALA 224 CO -0.02 0.42 0.43 -0.07 0.00 0.00 0.00 179.25 180.01 1wxx h LEU 225 N 1.01 0.80 -0.38 0.00 3.38 -0.85 -0.29 115.31 118.98 1wxx h LEU 225 Ca 0.32 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 58.06 1wxx h LEU 225 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1wxx h LEU 225 CO -0.09 0.61 -0.77 0.45 0.09 0.00 0.00 178.44 178.73 1wxx h HIS 226 N 0.93 0.49 0.00 1.13 3.86 -1.45 -3.13 115.15 116.97 1wxx h HIS 226 Ca 0.25 -0.23 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 1wxx h HIS 226 Cb -0.06 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1wxx h HIS 226 CO -0.02 0.99 -0.49 -0.07 0.86 0.00 0.00 177.93 179.20 1wxx h LEU 227 N 0.23 0.00 -2.32 2.43 3.38 -1.03 -2.88 115.31 115.12 1wxx h LEU 227 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wxx h LEU 227 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1wxx h LEU 227 CO 0.13 0.49 -0.03 0.00 0.09 0.00 0.00 178.44 179.12 1wxx h ALA 228 N 1.51 1.14 -0.05 1.53 0.00 -1.00 0.33 119.26 122.72 1wxx h ALA 228 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1wxx h ALA 228 Cb 0.89 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1wxx h ALA 228 CO 0.06 0.04 -0.63 -0.07 0.00 0.00 0.00 179.25 178.65 1wxx h LEU 229 N 0.00 0.23 -0.65 0.00 3.38 -1.60 -3.34 115.31 113.33 1wxx h LEU 229 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1wxx h LEU 229 Cb 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1wxx h LEU 229 CO 0.00 0.80 -0.15 0.61 0.09 0.00 0.00 178.44 179.80 1wxx n GLY 230 N 0.33 -0.19 3.42 0.83 0.00 -0.81 -5.02 105.19 103.75 1wxx n GLY 230 Ca -0.02 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1wxx n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wxx s PHE 231 N -1.08 2.49 0.13 1.61 0.40 0.04 -1.84 117.98 119.74 1wxx s PHE 231 Ca 0.05 -0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 55.95 1wxx s PHE 231 Cb 0.05 -1.46 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 1wxx s PHE 231 CO 0.17 0.19 1.53 0.00 0.70 0.00 0.00 175.22 177.81 1wxx h ARG 232 N 4.74 0.82 -4.32 0.44 2.47 -1.08 -3.43 114.38 114.01 1wxx h ARG 232 Ca -0.47 -0.33 -0.48 0.00 -1.26 0.00 0.00 59.98 57.43 1wxx h ARG 232 Cb 1.15 -0.04 -0.34 0.00 -1.65 0.00 0.00 29.97 29.09 1wxx h ARG 232 CO 0.47 0.96 -0.80 -2.00 0.56 0.00 0.00 179.97 179.16 1wxx s GLU 233 N -4.73 1.40 -0.13 0.04 2.12 -0.12 -4.79 118.70 112.48 1wxx s GLU 233 Ca -0.12 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 54.93 1wxx s GLU 233 Cb 0.11 -1.26 0.02 0.00 0.26 0.00 0.00 34.13 33.25 1wxx s GLU 233 CO 0.83 -0.06 -0.14 0.08 -0.54 0.00 0.00 175.26 175.43 1wxx s VAL 234 N 0.94 1.48 -0.28 3.70 1.01 -0.77 -0.46 120.40 126.02 1wxx s VAL 234 Ca -0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 1wxx s VAL 234 Cb -0.15 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1wxx s VAL 234 CO 0.01 0.44 0.11 -0.69 0.00 0.00 0.00 175.10 174.97 1wxx s VAL 235 N 1.31 4.44 -0.37 2.92 1.01 0.01 -1.20 120.40 128.52 1wxx s VAL 235 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 1wxx s VAL 235 Cb -0.14 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1wxx s VAL 235 CO -0.07 0.20 0.26 0.00 0.00 0.00 0.00 175.10 175.50 1wxx s ALA 236 N 1.61 3.49 -0.10 5.51 0.00 -0.20 -0.27 121.76 131.80 1wxx s ALA 236 Ca 0.05 -1.52 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 1wxx s ALA 236 Cb -0.16 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1wxx s ALA 236 CO 0.05 -1.17 0.00 0.08 0.00 0.00 0.00 175.76 174.72 1wxx s VAL 237 N 1.70 4.32 -0.13 0.00 1.01 -0.29 -0.55 120.40 126.47 1wxx s VAL 237 Ca 0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1wxx s VAL 237 Cb -0.18 -2.84 0.11 0.00 0.00 0.00 0.00 36.38 33.48 1wxx s VAL 237 CO 0.10 0.58 0.92 -0.62 0.00 0.00 0.00 175.10 176.09 1wxx s ASP 238 N -0.62 -0.43 0.00 3.32 2.15 -0.97 -0.39 116.67 119.73 1wxx s ASP 238 Ca 0.10 0.44 0.27 0.00 0.43 0.00 0.00 52.55 53.80 1wxx s ASP 238 Cb -0.12 0.36 0.91 0.00 -0.30 0.00 0.00 42.92 43.77 1wxx s ASP 238 CO 0.02 -0.41 1.66 -1.54 -0.17 0.00 0.00 175.17 174.73 1wxx n SER 239 N 0.71 0.88 -4.49 -0.34 3.41 -1.19 -2.03 113.62 110.56 1wxx n SER 239 Ca -0.12 -0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 57.25 1wxx n SER 239 Cb 0.58 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 1wxx n SER 239 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wxx s SER 240 N -2.47 6.12 0.22 4.04 0.15 -1.26 -4.84 113.70 115.66 1wxx s SER 240 Ca 0.26 -0.63 -0.08 0.00 0.70 0.00 0.00 55.95 56.20 1wxx s SER 240 Cb 0.20 -2.17 0.17 0.00 -1.71 0.00 0.00 66.02 62.50 1wxx s SER 240 CO 0.50 -0.40 1.81 0.00 1.20 0.00 0.00 173.24 176.34 1wxx h ALA 241 N 8.59 1.05 -0.79 5.45 0.00 -1.99 -1.83 119.26 129.74 1wxx h ALA 241 Ca -0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1wxx h ALA 241 Cb 1.13 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1wxx h ALA 241 CO 0.71 0.62 0.43 1.49 0.00 0.00 0.00 179.25 182.51 1wxx h GLU 242 N 1.16 1.11 -0.53 0.00 4.81 -2.00 -1.50 114.58 117.63 1wxx h GLU 242 Ca 0.28 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1wxx h GLU 242 Cb 0.13 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1wxx h GLU 242 CO -0.03 0.82 0.05 0.00 -0.73 0.00 0.00 179.01 179.11 1wxx h ALA 243 N 1.23 0.71 0.00 2.92 0.00 -1.79 -2.63 119.26 119.70 1wxx h ALA 243 Ca 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wxx h ALA 243 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1wxx h ALA 243 CO -0.04 0.49 -0.13 -0.07 0.00 0.00 0.00 179.25 179.50 1wxx h LEU 244 N 0.79 0.00 -0.29 0.00 3.38 -0.99 -1.40 115.31 116.79 1wxx h LEU 244 Ca 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1wxx h LEU 244 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1wxx h LEU 244 CO 0.02 0.13 -0.26 0.03 0.09 0.00 0.00 178.44 178.45 1wxx h ARG 245 N 0.00 0.69 -0.54 1.13 3.08 -0.92 -0.73 114.38 117.09 1wxx h ARG 245 Ca -0.00 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 1wxx h ARG 245 Cb 0.51 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1wxx h ARG 245 CO 0.02 0.96 0.19 -0.09 -1.07 0.00 0.00 179.97 179.98 1wxx h ARG 246 N 0.44 0.83 -0.51 0.04 9.65 -1.22 -1.12 114.38 122.49 1wxx h ARG 246 Ca 0.05 -0.16 0.06 0.00 -1.10 0.00 0.00 59.98 58.83 1wxx h ARG 246 Cb 0.82 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.22 1wxx h ARG 246 CO 0.07 0.74 0.21 0.00 2.80 0.00 0.00 179.97 183.79 1wxx h ALA 247 N 1.05 0.64 -0.44 2.80 0.00 -1.06 0.86 119.26 123.10 1wxx h ALA 247 Ca 0.18 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1wxx h ALA 247 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wxx h ALA 247 CO -0.01 -0.17 -0.11 1.49 0.00 0.00 0.00 179.25 180.45 1wxx h GLU 248 N 0.41 0.80 -0.52 0.00 4.81 -0.82 -1.49 114.58 117.77 1wxx h GLU 248 Ca 0.24 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1wxx h GLU 248 Cb 0.22 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1wxx h GLU 248 CO -0.22 0.88 0.01 0.93 -0.73 0.00 0.00 179.01 179.88 1wxx h GLU 249 N 0.72 0.91 -0.23 1.92 5.08 -0.35 -1.14 114.58 121.49 1wxx h GLU 249 Ca 0.12 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1wxx h GLU 249 Cb 0.60 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1wxx h GLU 249 CO 0.04 0.93 -0.30 -0.91 -1.00 0.00 0.00 179.01 177.77 1wxx h ASN 250 N 0.78 0.46 -0.39 1.42 2.35 -0.68 -0.79 115.58 118.73 1wxx h ASN 250 Ca 0.15 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1wxx h ASN 250 Cb 0.51 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1wxx h ASN 250 CO 0.02 0.74 0.01 0.00 -1.65 0.00 0.00 177.43 176.55 1wxx h ALA 251 N 1.29 0.53 -0.83 -0.83 0.00 -1.03 -2.71 119.26 115.68 1wxx h ALA 251 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1wxx h ALA 251 Cb 0.72 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1wxx h ALA 251 CO 0.06 0.29 0.48 -0.09 0.00 0.00 0.00 179.25 179.99 1wxx h ARG 252 N 0.51 1.15 -0.55 0.00 9.65 -0.94 0.10 114.38 124.30 1wxx h ARG 252 Ca 0.11 -0.12 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 1wxx h ARG 252 Cb 0.46 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 1wxx h ARG 252 CO 0.02 0.83 0.37 1.25 2.80 0.00 0.00 179.97 185.23 1wxx h LEU 253 N 1.15 0.48 -1.40 3.80 5.85 -0.94 -1.23 115.31 123.02 1wxx h LEU 253 Ca 0.30 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1wxx h LEU 253 Cb -0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1wxx h LEU 253 CO -0.05 0.32 -0.01 0.59 -0.34 0.00 0.00 178.44 178.96 1wxx n ASN 254 N -4.47 2.18 -1.73 1.25 3.02 -0.79 -4.94 115.26 109.78 1wxx n ASN 254 Ca 0.07 -1.72 -0.16 0.00 -0.03 0.00 0.00 54.58 52.74 1wxx n ASN 254 Cb 0.21 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.37 1wxx n ASN 254 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wxx n GLY 255 N 1.26 -0.10 3.37 7.41 0.00 -0.47 -4.94 105.19 111.72 1wxx n GLY 255 Ca 0.17 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 1wxx n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wxx s LEU 256 N -4.41 6.08 0.00 0.99 1.43 -0.10 -4.85 118.68 117.82 1wxx s LEU 256 Ca 0.00 -3.23 0.24 0.00 -1.03 0.00 0.00 54.13 50.11 1wxx s LEU 256 Cb 0.00 -2.26 1.20 0.00 0.03 0.00 0.00 46.19 45.16 1wxx s LEU 256 CO 0.00 -0.47 1.79 0.61 0.23 0.00 0.00 176.35 178.51 1wxx n GLY 257 N 3.37 -1.09 0.27 -3.19 0.00 -1.26 -3.24 105.19 100.05 1wxx n GLY 257 Ca 0.25 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1wxx n GLY 257 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wxx n ASN 258 N -1.30 0.79 -4.49 1.61 6.94 -1.26 -4.72 115.26 112.83 1wxx n ASN 258 Ca 0.11 -1.99 -0.37 0.00 -0.02 0.00 0.00 54.58 52.32 1wxx n ASN 258 Cb 0.19 -0.10 -0.12 0.00 -2.36 0.00 0.00 39.78 37.40 1wxx n ASN 258 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wxx s VAL 259 N -1.81 4.53 -0.09 3.53 1.01 -1.20 -1.84 120.40 124.53 1wxx s VAL 259 Ca 0.10 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1wxx s VAL 259 Cb 0.05 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1wxx s VAL 259 CO 0.07 0.33 -0.22 0.00 0.00 0.00 0.00 175.10 175.28 1wxx s ARG 260 N 1.52 2.91 0.23 2.72 1.70 -0.34 -5.00 118.95 122.68 1wxx s ARG 260 Ca 0.06 -0.86 -0.09 0.00 -0.47 0.00 0.00 55.73 54.38 1wxx s ARG 260 Cb -0.15 -2.30 -0.07 0.00 -0.57 0.00 0.00 34.95 31.86 1wxx s ARG 260 CO 0.05 0.27 0.53 0.14 -1.08 0.00 0.00 175.30 175.21 1wxx s VAL 261 N 0.13 4.96 -0.08 4.99 -7.23 -1.26 -1.03 120.40 120.87 1wxx s VAL 261 Ca -0.12 0.41 -0.03 0.00 -1.81 0.00 0.00 61.98 60.43 1wxx s VAL 261 Cb -0.16 -3.62 0.04 0.00 0.56 0.00 0.00 36.38 33.20 1wxx s VAL 261 CO 0.06 -0.08 0.07 -0.22 -0.31 0.00 0.00 175.10 174.63 1wxx s LEU 262 N -2.85 0.20 -0.43 1.32 2.96 0.29 -4.90 118.68 115.27 1wxx s LEU 262 Ca 0.47 -0.13 -0.25 0.00 -0.22 0.00 0.00 54.13 54.00 1wxx s LEU 262 Cb -0.11 -0.16 0.02 0.00 0.50 0.00 0.00 46.19 46.44 1wxx s LEU 262 CO 0.22 -0.28 0.89 -0.70 -1.32 0.00 0.00 176.35 175.16 1wxx s GLU 263 N 2.16 3.60 0.15 1.98 2.12 -1.26 -2.30 118.70 125.15 1wxx s GLU 263 Ca 0.04 0.21 -0.25 0.00 0.36 0.00 0.00 54.97 55.34 1wxx s GLU 263 Cb -0.13 -3.89 0.06 0.00 0.26 0.00 0.00 34.13 30.43 1wxx s GLU 263 CO -0.05 -1.11 0.97 0.00 -0.54 0.00 0.00 175.26 174.52 1wxx s ALA 264 N 3.56 -1.66 -0.21 6.30 0.00 -0.86 -4.97 121.76 123.92 1wxx s ALA 264 Ca 0.35 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.16 1wxx s ALA 264 Cb -0.11 0.64 -0.00 0.00 0.00 0.00 0.00 23.12 23.65 1wxx s ALA 264 CO 0.23 -1.05 0.91 1.21 0.00 0.00 0.00 175.76 177.06 1wxx s ASN 265 N -2.96 6.98 0.20 0.00 3.84 -1.26 -3.15 114.94 118.59 1wxx s ASN 265 Ca 0.13 1.22 -0.12 0.00 0.21 0.00 0.00 52.86 54.30 1wxx s ASN 265 Cb -0.01 -2.48 0.23 0.00 -0.55 0.00 0.00 41.25 38.44 1wxx s ASN 265 CO 0.02 -0.52 1.69 0.00 -2.79 0.00 0.00 177.10 175.50 1wxx h ALA 266 N 7.46 0.56 -0.12 1.71 0.00 -1.95 -1.06 119.26 125.86 1wxx h ALA 266 Ca -0.24 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wxx h ALA 266 Cb 1.10 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1wxx h ALA 266 CO 0.89 -0.36 0.04 0.74 0.00 0.00 0.00 179.25 180.56 1wxx h PHE 267 N 0.16 0.07 -0.15 0.00 0.04 -2.01 -1.95 116.94 113.10 1wxx h PHE 267 Ca 0.28 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 1wxx h PHE 267 Cb 0.42 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1wxx h PHE 267 CO -0.30 0.03 0.04 -0.44 -0.60 0.00 0.00 178.31 177.05 1wxx h ASP 268 N 0.10 0.22 -0.26 2.17 3.32 -1.91 -3.12 116.42 116.94 1wxx h ASP 268 Ca 0.05 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 56.94 1wxx h ASP 268 Cb 0.03 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1wxx h ASP 268 CO -0.05 0.37 -0.07 0.25 -1.72 0.00 0.00 179.24 178.02 1wxx h LEU 269 N 0.06 -0.26 -0.45 1.55 5.85 -1.09 -0.62 115.31 120.35 1wxx h LEU 269 Ca 0.05 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1wxx h LEU 269 Cb 0.23 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1wxx h LEU 269 CO -0.00 -0.10 0.08 -0.07 -0.34 0.00 0.00 178.44 178.02 1wxx h LEU 270 N -0.01 -0.01 -0.52 2.25 3.38 -1.36 0.48 115.31 119.52 1wxx h LEU 270 Ca 0.12 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1wxx h LEU 270 Cb 0.20 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1wxx h LEU 270 CO -0.27 0.03 -0.05 -0.09 0.09 0.00 0.00 178.44 178.15 1wxx h ARG 271 N 0.21 0.96 -0.45 1.13 2.43 -1.44 -2.36 114.38 114.86 1wxx h ARG 271 Ca 0.22 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1wxx h ARG 271 Cb 0.28 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1wxx h ARG 271 CO -0.29 1.00 0.15 -0.09 -1.51 0.00 0.00 179.97 179.22 1wxx h ARG 272 N 0.83 0.70 -0.86 0.20 1.12 -0.28 -0.67 114.38 115.43 1wxx h ARG 272 Ca 0.14 -0.15 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 1wxx h ARG 272 Cb 0.60 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.42 1wxx h ARG 272 CO 0.04 0.67 0.44 -0.07 -3.11 0.00 0.00 179.97 177.94 1wxx h LEU 273 N 0.60 1.09 -0.76 3.80 3.38 0.02 -2.16 115.31 121.27 1wxx h LEU 273 Ca 0.15 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1wxx h LEU 273 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1wxx h LEU 273 CO -0.01 0.89 -0.38 -0.08 0.09 0.00 0.00 178.44 178.95 1wxx h GLU 274 N 1.21 0.49 -0.82 1.13 4.57 -1.19 -1.02 114.58 118.95 1wxx h GLU 274 Ca 0.30 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1wxx h GLU 274 Cb 0.07 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1wxx h GLU 274 CO -0.04 0.80 0.45 -0.22 -1.18 0.00 0.00 179.01 178.82 1wxx h LYS 275 N 0.41 1.14 -0.83 1.92 1.63 -0.51 -2.06 116.57 118.27 1wxx h LYS 275 Ca 0.04 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 1wxx h LYS 275 Cb 0.86 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1wxx h LYS 275 CO 0.07 0.84 0.03 -0.85 -3.45 0.00 0.00 179.45 176.09 1wxx n GLU 276 N -4.40 2.64 -1.83 1.90 0.28 -0.92 -4.90 120.64 113.40 1wxx n GLU 276 Ca 0.08 -1.41 -0.16 0.00 -0.16 0.00 0.00 57.16 55.51 1wxx n GLU 276 Cb 0.09 -1.82 -0.04 0.00 1.43 0.00 0.00 31.44 31.10 1wxx n GLU 276 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wxx n GLY 277 N 0.23 0.82 3.75 -1.84 0.00 -0.77 -4.99 105.19 102.39 1wxx n GLY 277 Ca 0.14 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1wxx n GLY 277 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wxx s GLU 278 N -3.99 4.71 0.06 1.61 2.02 -0.40 -5.02 118.70 117.69 1wxx s GLU 278 Ca 0.00 1.68 0.06 0.00 0.02 0.00 0.00 54.97 56.74 1wxx s GLU 278 Cb 0.00 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 1wxx s GLU 278 CO 0.00 0.29 -0.17 1.03 0.02 0.00 0.00 175.26 176.43 1wxx s ARG 279 N -1.18 1.05 0.14 1.61 1.81 -1.26 -4.61 118.95 116.52 1wxx s ARG 279 Ca 0.44 -0.95 0.05 0.00 -1.72 0.00 0.00 55.73 53.55 1wxx s ARG 279 Cb -0.29 -1.16 -0.04 0.00 -0.45 0.00 0.00 34.95 33.01 1wxx s ARG 279 CO 0.37 0.28 -0.12 -0.06 -0.68 0.00 0.00 175.30 175.09 1wxx s PHE 280 N -1.02 1.31 -0.74 -0.53 0.40 0.23 -4.91 117.98 112.72 1wxx s PHE 280 Ca 0.03 -0.67 0.23 0.00 -0.60 0.00 0.00 56.93 55.93 1wxx s PHE 280 Cb -0.09 -0.67 0.12 0.00 0.51 0.00 0.00 43.02 42.88 1wxx s PHE 280 CO 0.02 0.11 1.10 -0.25 0.70 0.00 0.00 175.22 176.91 1wxx n ASP 281 N 0.11 0.64 -3.63 1.36 9.92 0.21 -2.68 116.55 122.48 1wxx n ASP 281 Ca -0.12 -0.31 -0.11 0.00 -0.53 0.00 0.00 54.79 53.72 1wxx n ASP 281 Cb 0.59 0.69 -0.07 0.00 -0.64 0.00 0.00 41.12 41.69 1wxx n ASP 281 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1wxx s LEU 282 N -3.62 -0.80 -0.05 0.64 0.20 -1.11 -0.96 118.68 112.97 1wxx s LEU 282 Ca 0.06 1.43 0.02 0.00 0.69 0.00 0.00 54.13 56.33 1wxx s LEU 282 Cb 0.15 2.39 0.01 0.00 -0.43 0.00 0.00 46.19 48.31 1wxx s LEU 282 CO 0.79 -0.24 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.82 1wxx s VAL 283 N 0.88 0.92 -0.16 1.68 1.01 -0.45 -0.59 120.40 123.70 1wxx s VAL 283 Ca -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1wxx s VAL 283 Cb -0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1wxx s VAL 283 CO -0.08 0.30 -0.11 -0.69 0.00 0.00 0.00 175.10 174.53 1wxx s VAL 284 N 0.64 3.12 -0.29 2.92 1.01 0.09 -1.29 120.40 126.59 1wxx s VAL 284 Ca -0.12 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1wxx s VAL 284 Cb -0.14 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.95 1wxx s VAL 284 CO 0.02 0.50 -0.02 -0.76 0.00 0.00 0.00 175.10 174.84 1wxx s LEU 285 N 0.70 3.85 -0.50 3.92 1.43 0.11 -0.90 118.68 127.29 1wxx s LEU 285 Ca -0.05 -1.36 0.08 0.00 -1.03 0.00 0.00 54.13 51.76 1wxx s LEU 285 Cb -0.15 -1.67 0.33 0.00 0.03 0.00 0.00 46.19 44.72 1wxx s LEU 285 CO 0.02 -0.26 0.81 -0.67 0.23 0.00 0.00 176.35 176.49 1wxx n ASP 286 N 4.56 2.78 -4.74 2.29 2.03 -1.13 -0.84 116.55 121.51 1wxx n ASP 286 Ca -0.12 -3.34 -0.32 0.00 0.52 0.00 0.00 54.79 51.52 1wxx n ASP 286 Cb 0.43 -0.60 0.10 0.00 -0.72 0.00 0.00 41.12 40.33 1wxx n ASP 286 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1wxx s PRO 287 N -2.81 2.02 0.91 -0.67 0.04 -1.26 -4.79 135.00 128.43 1wxx s PRO 287 Ca 0.44 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1wxx s PRO 287 Cb 0.28 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 33.10 1wxx s PRO 287 CO -0.10 -1.86 1.10 -1.25 0.04 0.00 0.00 177.00 174.93 1wxx s PRO 288 N -4.50 1.17 -0.16 0.56 0.04 -1.26 -4.48 135.00 126.37 1wxx s PRO 288 Ca 0.66 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 1wxx s PRO 288 Cb -0.21 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 1wxx s PRO 288 CO 0.52 -2.24 2.10 0.00 0.04 0.00 0.00 177.00 177.41 1wxx n ALA 289 N -3.85 1.43 0.09 8.56 0.00 -1.26 -4.81 120.51 120.67 1wxx n ALA 289 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1wxx n ALA 289 Cb 0.57 -2.72 0.01 0.00 0.00 0.00 0.00 19.45 17.30 1wxx n ALA 289 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wxx h PHE 290 N 12.48 0.02 -3.70 0.00 0.05 -1.94 -3.42 116.94 120.42 1wxx h PHE 290 Ca -0.42 -0.01 -0.69 0.00 3.82 0.00 0.00 57.97 60.67 1wxx h PHE 290 Cb 1.26 -0.00 -0.30 0.00 2.00 0.00 0.00 35.95 38.91 1wxx h PHE 290 CO 0.93 0.84 -0.65 0.00 -0.18 0.00 0.00 178.31 179.25 1wxx s ALA 291 N -3.11 2.93 -0.09 2.45 0.00 -1.26 -4.76 121.76 117.92 1wxx s ALA 291 Ca -0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.22 1wxx s ALA 291 Cb 0.11 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 1wxx s ALA 291 CO 0.80 -1.25 -0.04 0.87 0.00 0.00 0.00 175.76 176.13 1wxx h LYS 292 N 8.12 0.00 -6.68 0.00 1.79 -1.92 -3.43 116.57 114.45 1wxx h LYS 292 Ca -0.23 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 57.79 1wxx h LYS 292 Cb 1.08 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.76 1wxx h LYS 292 CO 0.57 0.00 -0.12 0.20 -1.08 0.00 0.00 179.45 179.02 1wxx s GLY 293 N -3.46 1.85 0.33 3.86 0.00 -1.26 -4.89 107.32 103.75 1wxx s GLY 293 Ca -0.03 -1.66 0.26 0.00 0.00 0.00 0.00 44.72 43.29 1wxx s GLY 293 CO 0.05 -1.35 1.78 1.70 0.00 0.00 0.00 173.10 175.29 1wxx h LYS 294 N 0.24 0.00 -0.00 2.90 3.64 -1.97 -2.61 116.57 118.77 1wxx h LYS 294 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1wxx h LYS 294 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1wxx h LYS 294 CO 0.46 0.00 -0.28 1.63 -2.27 0.00 0.00 179.45 178.98 1wxx n LYS 295 N -2.47 0.44 0.00 1.90 5.02 -1.26 -3.70 118.16 118.09 1wxx n LYS 295 Ca 0.02 -0.22 0.12 0.00 -2.02 0.00 0.00 58.31 56.21 1wxx n LYS 295 Cb 0.26 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.98 1wxx n LYS 295 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wxx n ASP 296 N -1.09 1.06 0.05 4.39 8.00 -0.98 -4.56 116.55 123.43 1wxx n ASP 296 Ca 0.10 -0.85 -0.15 0.00 0.71 0.00 0.00 54.79 54.60 1wxx n ASP 296 Cb 0.33 0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 41.70 1wxx n ASP 296 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1wxx h VAL 297 N 0.92 0.04 -0.64 2.53 2.07 -1.69 0.91 116.25 120.39 1wxx h VAL 297 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1wxx h VAL 297 Cb 0.55 0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.25 1wxx h VAL 297 CO 0.00 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 177.25 1wxx h GLU 298 N -0.64 0.10 -0.39 1.57 5.08 -1.87 0.40 114.58 118.83 1wxx h GLU 298 Ca 0.03 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1wxx h GLU 298 Cb 0.71 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1wxx h GLU 298 CO -0.36 0.07 -0.33 -0.09 -1.00 0.00 0.00 179.01 177.30 1wxx h ARG 299 N 0.11 0.89 -0.43 2.33 2.43 -1.80 -3.05 114.38 114.86 1wxx h ARG 299 Ca 0.34 -0.44 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1wxx h ARG 299 Cb 0.56 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1wxx h ARG 299 CO -0.56 1.09 0.17 0.00 -1.51 0.00 0.00 179.97 179.15 1wxx h ALA 300 N 0.87 0.56 -0.72 2.80 0.00 0.73 -2.40 119.26 121.10 1wxx h ALA 300 Ca 0.07 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1wxx h ALA 300 Cb 0.91 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1wxx h ALA 300 CO 0.08 0.17 0.30 -0.92 0.00 0.00 0.00 179.25 178.88 1wxx h TYR 301 N 0.55 0.52 -0.47 0.00 3.20 -0.23 0.12 116.97 120.66 1wxx h TYR 301 Ca 0.14 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1wxx h TYR 301 Cb 0.19 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1wxx h TYR 301 CO 0.00 0.11 -0.06 0.00 -1.64 0.00 0.00 178.16 176.57 1wxx h ARG 302 N 0.48 0.83 -0.30 1.82 3.08 -1.40 -0.81 114.38 118.07 1wxx h ARG 302 Ca 0.38 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1wxx h ARG 302 Cb 0.52 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1wxx h ARG 302 CO -0.35 0.87 -0.04 0.00 -1.07 0.00 0.00 179.97 179.38 1wxx h ALA 303 N 1.18 0.41 -0.23 0.04 0.00 -0.64 -1.68 119.26 118.33 1wxx h ALA 303 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1wxx h ALA 303 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1wxx h ALA 303 CO 0.03 0.20 0.11 1.88 0.00 0.00 0.00 179.25 181.47 1wxx h TYR 304 N 0.33 0.33 -0.96 0.00 0.05 -0.70 -2.26 116.97 113.76 1wxx h TYR 304 Ca 0.08 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.88 1wxx h TYR 304 Cb 0.50 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 1wxx h TYR 304 CO 0.04 0.33 0.63 -0.22 -1.05 0.00 0.00 178.16 177.89 1wxx h LYS 305 N 0.24 1.19 -0.13 4.88 3.64 -1.07 -0.76 116.57 124.56 1wxx h LYS 305 Ca 0.08 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1wxx h LYS 305 Cb 0.12 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1wxx h LYS 305 CO -0.01 0.79 -0.02 1.49 -2.27 0.00 0.00 179.45 179.43 1wxx h GLU 306 N 1.23 0.25 -0.36 1.90 4.81 -1.11 0.97 114.58 122.25 1wxx h GLU 306 Ca 0.38 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 1wxx h GLU 306 Cb -0.02 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1wxx h GLU 306 CO -0.11 0.51 -0.09 -0.24 -0.73 0.00 0.00 179.01 178.35 1wxx h VAL 307 N -0.04 1.24 -0.26 0.32 3.04 -1.18 -1.29 116.25 118.07 1wxx h VAL 307 Ca 0.04 -1.05 -0.17 0.00 -1.01 0.00 0.00 66.70 64.51 1wxx h VAL 307 Cb 0.41 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1wxx h VAL 307 CO 0.01 0.35 -0.52 0.78 -1.01 0.00 0.00 177.57 177.18 1wxx h ASN 308 N 0.57 0.84 -0.57 3.17 2.35 -1.05 -1.74 115.58 119.16 1wxx h ASN 308 Ca 0.11 -0.44 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 1wxx h ASN 308 Cb 0.50 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1wxx h ASN 308 CO 0.03 1.20 0.24 0.25 -1.65 0.00 0.00 177.43 177.51 1wxx h LEU 309 N 0.59 0.76 -0.78 1.61 5.85 -0.50 -1.36 115.31 121.49 1wxx h LEU 309 Ca 0.02 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1wxx h LEU 309 Cb 1.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1wxx h LEU 309 CO 0.11 0.71 -0.21 0.03 -0.34 0.00 0.00 178.44 178.74 1wxx h ARG 310 N 0.77 0.69 -0.40 1.25 3.08 -1.16 -2.52 114.38 116.09 1wxx h ARG 310 Ca 0.19 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1wxx h ARG 310 Cb 0.17 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1wxx h ARG 310 CO -0.02 0.85 0.09 0.00 -1.07 0.00 0.00 179.97 179.82 1wxx h ALA 311 N 1.15 0.53 -0.45 0.04 0.00 -1.03 -2.89 119.26 116.61 1wxx h ALA 311 Ca 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1wxx h ALA 311 Cb 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1wxx h ALA 311 CO 0.05 0.21 0.12 0.82 0.00 0.00 0.00 179.25 180.46 1wxx h ILE 312 N 0.51 1.19 0.00 0.00 2.04 -1.14 -2.08 117.51 118.03 1wxx h ILE 312 Ca 0.13 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1wxx h ILE 312 Cb 0.32 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1wxx h ILE 312 CO 0.00 0.25 0.00 0.11 0.00 0.00 0.00 178.15 178.51 1wxx h LYS 313 N 0.65 0.00 0.00 2.37 1.57 -1.25 -2.44 116.57 117.48 1wxx h LYS 313 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1wxx h LYS 313 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1wxx h LYS 313 CO -0.01 0.00 -0.49 1.28 -0.57 0.00 0.00 179.45 179.67 1wxx n LEU 314 N -2.33 0.49 -4.80 2.94 4.77 -0.78 -4.92 117.00 112.36 1wxx n LEU 314 Ca 0.02 0.07 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 1wxx n LEU 314 Cb 0.25 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1wxx n LEU 314 CO 0.21 0.09 0.33 -0.76 -1.33 0.00 0.00 177.39 175.93 1wxx s LEU 315 N -3.17 4.54 0.66 2.23 1.43 -0.92 -0.60 118.68 122.84 1wxx s LEU 315 Ca 0.10 1.37 -0.05 0.00 -1.03 0.00 0.00 54.13 54.53 1wxx s LEU 315 Cb 0.17 -3.01 0.05 0.00 0.03 0.00 0.00 46.19 43.43 1wxx s LEU 315 CO 0.69 0.24 0.94 -0.54 0.23 0.00 0.00 176.35 177.92 1wxx s LYS 316 N -1.04 2.34 0.23 1.70 1.02 -1.09 -4.91 119.74 117.99 1wxx s LYS 316 Ca 0.31 -0.37 -0.31 0.00 0.02 0.00 0.00 55.97 55.62 1wxx s LYS 316 Cb -0.20 -2.26 -0.11 0.00 -0.52 0.00 0.00 37.83 34.74 1wxx s LYS 316 CO 0.21 -1.06 1.58 -2.00 -0.92 0.00 0.00 175.35 173.16 1wxx s GLU 317 N -5.10 4.18 0.00 1.68 2.12 -1.26 -0.35 118.70 119.96 1wxx s GLU 317 Ca 0.59 2.47 0.00 0.00 0.36 0.00 0.00 54.97 58.38 1wxx s GLU 317 Cb -0.11 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1wxx s GLU 317 CO 0.43 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1wxx n GLY 318 N 3.03 0.83 3.75 -1.50 0.00 0.54 -5.01 105.19 106.83 1wxx n GLY 318 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1wxx n GLY 318 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wxx s GLY 319 N -1.54 2.18 -0.11 -0.02 0.00 0.53 -4.65 107.32 103.71 1wxx s GLY 319 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.37 1wxx s GLY 319 CO 0.00 1.02 -0.11 -0.42 0.00 0.00 0.00 173.10 173.58 1wxx s ILE 320 N -2.26 3.23 -0.21 0.90 -1.09 -0.13 -0.52 121.20 121.13 1wxx s ILE 320 Ca 0.69 -0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1wxx s ILE 320 Cb -0.23 -2.34 0.01 0.00 -1.58 0.00 0.00 42.46 38.32 1wxx s ILE 320 CO 0.44 0.54 -0.12 -0.22 -1.23 0.00 0.00 174.94 174.35 1wxx s LEU 321 N -0.04 2.59 -0.28 2.97 2.96 0.16 -1.34 118.68 125.71 1wxx s LEU 321 Ca -0.02 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 1wxx s LEU 321 Cb -0.14 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 44.99 1wxx s LEU 321 CO 0.04 -0.03 -0.01 0.00 -1.32 0.00 0.00 176.35 175.02 1wxx s ALA 322 N 1.35 2.80 0.02 5.97 0.00 -0.41 -0.06 121.76 131.42 1wxx s ALA 322 Ca 0.04 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.44 1wxx s ALA 322 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 1wxx s ALA 322 CO -0.08 -1.06 -0.14 -0.08 0.00 0.00 0.00 175.76 174.40 1wxx s THR 323 N 1.31 1.09 0.23 0.00 -1.32 0.03 0.08 115.64 117.05 1wxx s THR 323 Ca -0.02 -0.86 -0.02 0.00 -1.21 0.00 0.00 61.69 59.59 1wxx s THR 323 Cb -0.18 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.81 1wxx s THR 323 CO -0.02 0.10 0.20 0.00 -2.21 0.00 0.00 174.62 172.69 1wxx s ALA 324 N -0.67 1.06 -0.16 11.08 0.00 -0.02 -1.02 121.76 132.03 1wxx s ALA 324 Ca 0.03 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.24 1wxx s ALA 324 Cb -0.07 1.35 0.05 0.00 0.00 0.00 0.00 23.12 24.45 1wxx s ALA 324 CO 0.01 -0.64 0.41 0.45 0.00 0.00 0.00 175.76 175.99 1wxx s SER 325 N -3.17 -0.47 -0.20 0.00 0.15 -0.92 -4.46 113.70 104.63 1wxx s SER 325 Ca 0.37 0.86 0.15 0.00 0.70 0.00 0.00 55.95 58.03 1wxx s SER 325 Cb 0.05 0.80 0.46 0.00 -1.71 0.00 0.00 66.02 65.63 1wxx s SER 325 CO 0.14 -0.17 1.36 0.00 1.20 0.00 0.00 173.24 175.76 1wxx s SER 327 N -2.38 6.25 0.60 0.00 0.01 -1.19 -4.71 113.70 112.28 1wxx s SER 327 Ca 0.40 -0.26 0.38 0.00 1.31 0.00 0.00 55.95 57.78 1wxx s SER 327 Cb 0.34 -2.24 1.85 0.00 0.21 0.00 0.00 66.02 66.18 1wxx s SER 327 CO 0.04 -0.49 2.16 1.12 0.41 0.00 0.00 173.24 176.48 1wxx h HIS 328 N 8.56 0.00 0.00 2.43 2.07 -1.82 -3.39 115.15 123.00 1wxx h HIS 328 Ca -0.28 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 56.58 1wxx h HIS 328 Cb 1.12 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.10 1wxx h HIS 328 CO 0.69 0.00 3.23 0.72 -3.07 0.00 0.00 177.93 179.50 1wxx n HIS 329 N -3.06 2.79 -3.45 6.12 8.25 -1.26 -4.88 115.22 119.73 1wxx n HIS 329 Ca -0.01 -2.79 -0.13 0.00 -0.26 0.00 0.00 57.72 54.53 1wxx n HIS 329 Cb 0.19 -2.36 -0.03 0.00 1.12 0.00 0.00 29.99 28.91 1wxx n HIS 329 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wxx s THR 331 N 3.09 0.01 0.25 1.59 -4.23 -1.26 -4.96 115.64 110.13 1wxx s THR 331 Ca 0.55 -0.05 -0.04 0.00 -1.18 0.00 0.00 61.69 60.97 1wxx s THR 331 Cb 0.15 -1.01 0.25 0.00 1.34 0.00 0.00 72.50 73.23 1wxx s THR 331 CO -0.05 -0.03 1.88 -0.08 -0.54 0.00 0.00 174.62 175.80 1wxx h GLU 332 N 2.17 1.09 -0.55 3.99 4.81 -1.93 0.11 114.58 124.27 1wxx h GLU 332 Ca -0.33 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1wxx h GLU 332 Cb 1.28 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 1wxx h GLU 332 CO 0.39 0.72 0.27 -1.35 -0.73 0.00 0.00 179.01 178.31 1wxx h PRO 333 N 1.12 0.79 -0.62 0.92 0.11 -2.00 -1.72 132.00 130.60 1wxx h PRO 333 Ca 0.40 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 66.32 1wxx h PRO 333 Cb 0.12 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1wxx h PRO 333 CO -0.16 0.64 0.10 -0.07 -0.21 0.00 0.00 178.00 178.30 1wxx h LEU 334 N 0.74 0.98 0.37 2.35 3.38 -1.79 -1.96 115.31 119.39 1wxx h LEU 334 Ca 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1wxx h LEU 334 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1wxx h LEU 334 CO -0.02 0.99 -0.30 0.15 0.09 0.00 0.00 178.44 179.35 1wxx h PHE 335 N 0.93 -0.80 0.00 1.13 3.57 -0.48 -2.76 116.94 118.53 1wxx h PHE 335 Ca 0.19 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1wxx h PHE 335 Cb 0.43 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1wxx h PHE 335 CO 0.03 -0.44 -0.24 1.88 -2.23 0.00 0.00 178.31 177.31 1wxx h TYR 336 N -0.68 0.00 0.00 0.41 0.05 -1.31 -1.89 116.97 113.55 1wxx h TYR 336 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1wxx h TYR 336 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1wxx h TYR 336 CO -0.15 0.24 0.00 0.00 -1.05 0.00 0.00 178.16 177.20 1wxx n ALA 337 N -2.40 1.89 0.00 3.88 0.00 -0.74 -2.09 120.51 121.05 1wxx n ALA 337 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1wxx n ALA 337 Cb 0.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1wxx n ALA 337 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wxx n VAL 339 N 0.58 0.00 -0.25 0.00 0.31 -0.71 -1.51 118.33 116.75 1wxx n VAL 339 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1wxx n VAL 339 Cb 0.20 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.17 1wxx n VAL 339 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wxx h ALA 340 N 0.00 0.90 -0.57 3.52 0.00 -1.69 -0.65 119.26 120.77 1wxx h ALA 340 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1wxx h ALA 340 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1wxx h ALA 340 CO 0.00 0.52 0.20 0.93 0.00 0.00 0.00 179.25 180.89 1wxx h GLU 341 N 0.98 0.88 -0.56 0.00 5.08 -1.54 -0.93 114.58 118.48 1wxx h GLU 341 Ca 0.23 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1wxx h GLU 341 Cb 0.20 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1wxx h GLU 341 CO -0.02 0.78 0.12 0.00 -1.00 0.00 0.00 179.01 178.89 1wxx h ALA 342 N 1.06 0.75 -0.48 3.43 0.00 -1.76 -0.71 119.26 121.55 1wxx h ALA 342 Ca 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1wxx h ALA 342 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1wxx h ALA 342 CO -0.01 0.47 0.11 0.00 0.00 0.00 0.00 179.25 179.82 1wxx h ALA 343 N 1.01 0.63 -0.67 0.00 0.00 -0.94 -0.75 119.26 118.54 1wxx h ALA 343 Ca 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wxx h ALA 343 Cb 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1wxx h ALA 343 CO 0.01 0.33 0.29 1.96 0.00 0.00 0.00 179.25 181.83 1wxx h GLN 344 N 0.65 0.99 0.00 0.00 4.20 -0.99 -1.71 115.11 118.26 1wxx h GLN 344 Ca 0.15 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1wxx h GLN 344 Cb 0.34 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1wxx h GLN 344 CO 0.00 0.81 -0.33 -0.44 -0.67 0.00 0.00 178.83 178.20 1wxx h ASP 345 N 0.95 0.00 0.27 1.46 3.32 -0.88 -2.21 116.42 119.33 1wxx h ASP 345 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1wxx h ASP 345 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1wxx h ASP 345 CO -0.02 0.33 -0.16 0.00 -1.72 0.00 0.00 179.24 177.67 1wxx n ALA 346 N -2.37 2.87 -3.47 3.45 0.00 -0.31 -4.94 120.51 115.74 1wxx n ALA 346 Ca -0.01 -0.33 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 1wxx n ALA 346 Cb 0.41 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.67 1wxx n ALA 346 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1wxx n HIS 347 N -0.74 -2.44 -5.16 0.00 8.25 -0.69 -4.97 115.22 109.48 1wxx n HIS 347 Ca 0.14 0.81 -0.31 0.00 -0.26 0.00 0.00 57.72 58.11 1wxx n HIS 347 Cb 0.31 -4.55 -0.17 0.00 1.12 0.00 0.00 29.99 26.70 1wxx n HIS 347 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1wxx s ARG 348 N -6.17 2.65 -0.21 -0.41 1.81 -0.89 -5.06 118.95 110.67 1wxx s ARG 348 Ca 0.51 -0.83 -0.24 0.00 -1.72 0.00 0.00 55.73 53.45 1wxx s ARG 348 Cb -0.23 -2.12 -0.01 0.00 -0.45 0.00 0.00 34.95 32.14 1wxx s ARG 348 CO 0.63 0.25 0.78 -1.17 -0.68 0.00 0.00 175.30 175.10 1wxx s LEU 349 N 0.15 4.12 -0.14 2.53 2.96 -1.26 -4.54 118.68 122.50 1wxx s LEU 349 Ca -0.12 1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.81 1wxx s LEU 349 Cb -0.16 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 1wxx s LEU 349 CO 0.06 -0.42 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.80 1wxx s LEU 350 N 2.40 2.78 -0.02 -0.68 1.43 -1.26 -0.70 118.68 122.62 1wxx s LEU 350 Ca 0.34 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 1wxx s LEU 350 Cb -0.16 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1wxx s LEU 350 CO 0.10 0.15 0.38 -0.60 0.23 0.00 0.00 176.35 176.60 1wxx s ARG 351 N 0.46 3.87 -0.32 1.70 3.52 -0.08 -4.88 118.95 123.22 1wxx s ARG 351 Ca -0.09 0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.57 1wxx s ARG 351 Cb -0.16 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1wxx s ARG 351 CO 0.04 0.68 1.06 0.08 -0.81 0.00 0.00 175.30 176.36 1wxx s VAL 352 N -1.01 4.52 -0.18 7.11 1.01 -1.26 -1.34 120.40 129.25 1wxx s VAL 352 Ca 0.23 1.71 -0.25 0.00 0.00 0.00 0.00 61.98 63.67 1wxx s VAL 352 Cb -0.16 -4.40 -0.22 0.00 0.00 0.00 0.00 36.38 31.59 1wxx s VAL 352 CO 0.12 -0.47 0.45 0.58 0.00 0.00 0.00 175.10 175.78 1wxx h VAL 353 N 5.73 1.28 -1.80 2.92 2.07 -1.32 -3.48 116.25 121.63 1wxx h VAL 353 Ca -0.21 -2.25 0.02 0.00 0.82 0.00 0.00 66.70 65.08 1wxx h VAL 353 Cb 1.06 2.71 -0.24 0.00 -1.52 0.00 0.00 31.29 33.30 1wxx h VAL 353 CO 1.03 0.44 0.26 -0.70 0.02 0.00 0.00 177.57 178.62 1wxx s GLU 354 N -2.31 0.65 -0.30 1.57 2.12 -1.00 -5.00 118.70 114.45 1wxx s GLU 354 Ca -0.25 0.84 -0.08 0.00 0.36 0.00 0.00 54.97 55.84 1wxx s GLU 354 Cb 0.02 0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.69 1wxx s GLU 354 CO 0.63 -0.09 0.11 0.15 -0.54 0.00 0.00 175.26 175.53 1wxx s LYS 355 N 0.56 3.31 0.11 4.30 1.02 -1.26 -0.99 119.74 126.78 1wxx s LYS 355 Ca -0.01 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.27 1wxx s LYS 355 Cb -0.05 -3.46 -0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1wxx s LYS 355 CO -0.06 -0.39 0.02 0.54 -0.92 0.00 0.00 175.35 174.55 1wxx n ARG 356 N 4.93 1.15 0.00 1.68 1.74 0.18 -5.02 116.66 121.33 1wxx n ARG 356 Ca -0.14 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 1wxx n ARG 356 Cb 0.49 0.39 0.00 0.00 -1.02 0.00 0.00 32.46 32.32 1wxx n ARG 356 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wxx n GLY 357 N 2.25 1.91 3.76 -0.13 0.00 -1.26 -2.03 105.19 109.69 1wxx n GLY 357 Ca -0.03 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1wxx n GLY 357 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxx s GLN 358 N 4.19 4.70 0.89 1.61 -0.21 -1.25 -4.80 119.66 124.79 1wxx s GLN 358 Ca 0.00 1.47 -0.12 0.00 0.02 0.00 0.00 55.36 56.73 1wxx s GLN 358 Cb 0.00 -3.06 0.12 0.00 1.00 0.00 0.00 33.01 31.07 1wxx s GLN 358 CO 0.00 0.37 1.11 -1.25 -2.12 0.00 0.00 175.29 173.40 1wxx s PRO 359 N -1.59 1.33 0.47 2.91 0.04 -1.26 -4.91 135.00 131.98 1wxx s PRO 359 Ca 0.46 0.49 0.19 0.00 0.04 0.00 0.00 61.00 62.18 1wxx s PRO 359 Cb -0.24 -1.84 1.18 0.00 0.04 0.00 0.00 34.50 33.63 1wxx s PRO 359 CO 0.30 -2.11 1.96 0.27 0.04 0.00 0.00 177.00 177.46 1wxx h PHE 360 N -1.44 0.29 -0.01 0.56 -0.00 -1.99 -1.23 116.94 113.13 1wxx h PHE 360 Ca -0.50 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.48 1wxx h PHE 360 Cb 1.31 -0.09 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 1wxx h PHE 360 CO 0.36 0.12 0.00 -0.40 -0.00 0.00 0.00 178.31 178.39 1wxx n ASP 361 N -4.44 0.13 -3.08 -0.68 3.85 -1.26 -3.61 116.55 107.45 1wxx n ASP 361 Ca 0.12 -1.22 -0.24 0.00 -0.71 0.00 0.00 54.79 52.73 1wxx n ASP 361 Cb 0.53 -0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.25 1wxx n ASP 361 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1wxx n HIS 362 N -0.81 2.48 -1.58 2.11 8.25 -0.46 -4.58 115.22 120.62 1wxx n HIS 362 Ca 0.19 -3.93 -0.45 0.00 -0.26 0.00 0.00 57.72 53.28 1wxx n HIS 362 Cb 0.11 -0.46 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 1wxx n HIS 362 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1wxx n PRO 363 N 0.12 1.28 -4.78 -0.41 -0.04 -1.24 -4.61 135.00 125.33 1wxx n PRO 363 Ca 0.28 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.86 1wxx n PRO 363 Cb 0.49 -1.80 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 1wxx n PRO 363 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wxx s VAL 364 N -1.06 3.32 -0.19 0.52 1.01 -1.26 -4.46 120.40 118.28 1wxx s VAL 364 Ca 0.59 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1wxx s VAL 364 Cb -0.71 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1wxx s VAL 364 CO 0.60 0.59 0.00 -0.76 0.00 0.00 0.00 175.10 175.53 1wxx s LEU 365 N -0.78 3.32 0.25 3.92 1.43 -1.26 -5.00 118.68 120.56 1wxx s LEU 365 Ca 0.12 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1wxx s LEU 365 Cb -0.11 -1.84 0.26 0.00 0.03 0.00 0.00 46.19 44.54 1wxx s LEU 365 CO 0.01 0.09 1.93 0.25 0.23 0.00 0.00 176.35 178.85 1wxx h LEU 366 N 7.31 1.14 0.00 1.79 5.85 -1.99 -2.60 115.31 126.81 1wxx h LEU 366 Ca -0.35 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1wxx h LEU 366 Cb 1.18 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1wxx h LEU 366 CO 0.62 0.82 0.00 0.59 -0.34 0.00 0.00 178.44 180.13 1wxx n ASN 367 N -4.39 0.00 -3.68 1.25 4.13 -1.26 -4.24 115.26 107.07 1wxx n ASN 367 Ca 0.12 0.25 -0.28 0.00 1.68 0.00 0.00 54.58 56.35 1wxx n ASN 367 Cb 0.02 -0.41 -0.11 0.00 -1.54 0.00 0.00 39.78 37.74 1wxx n ASN 367 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1wxx n HIS 368 N -1.41 1.47 -0.33 3.10 -0.00 -0.98 -4.01 115.22 113.07 1wxx n HIS 368 Ca 0.09 -3.88 0.28 0.00 0.46 0.00 0.00 57.72 54.66 1wxx n HIS 368 Cb 0.26 -0.25 0.53 0.00 -0.12 0.00 0.00 29.99 30.41 1wxx n HIS 368 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1wxx h PRO 369 N 5.48 0.16 0.00 1.57 0.11 -1.74 -0.62 132.00 136.96 1wxx h PRO 369 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1wxx h PRO 369 Cb 0.82 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1wxx h PRO 369 CO 0.57 0.11 0.07 0.93 -0.21 0.00 0.00 178.00 179.46 1wxx h GLU 370 N 0.16 0.00 0.00 1.05 3.07 -1.94 -0.43 114.58 116.49 1wxx h GLU 370 Ca 0.79 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 1wxx h GLU 370 Cb 1.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.86 1wxx h GLU 370 CO -0.69 0.00 0.00 1.79 -1.40 0.00 0.00 179.01 178.71 1wxx h THR 371 N 0.00 0.00 -3.22 1.13 1.35 -1.41 -3.40 112.91 107.36 1wxx h THR 371 Ca 0.00 -0.61 -0.75 0.00 -0.55 0.00 0.00 66.41 64.50 1wxx h THR 371 Cb 0.14 1.57 -0.23 0.00 -1.73 0.00 0.00 68.15 67.90 1wxx h THR 371 CO 0.00 0.00 -0.28 -2.28 -0.25 0.00 0.00 175.52 172.71 1wxx s HIS 372 N -3.36 3.24 0.00 4.73 5.65 -0.17 -4.69 115.29 120.69 1wxx s HIS 372 Ca 0.05 -1.05 0.00 0.00 0.25 0.00 0.00 55.06 54.31 1wxx s HIS 372 Cb 0.08 -3.41 0.00 0.00 -1.18 0.00 0.00 32.58 28.07 1wxx s HIS 372 CO 0.57 -0.89 0.00 2.48 -0.65 0.00 0.00 174.74 176.25 1wxx n TYR 373 N 5.25 0.00 -3.93 3.88 0.18 -1.26 -4.61 117.16 116.67 1wxx n TYR 373 Ca -0.13 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.30 1wxx n TYR 373 Cb 0.42 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.29 1wxx n TYR 373 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1wxx s LEU 374 N -3.39 3.85 -0.04 -3.48 2.96 -1.26 -3.17 118.68 114.15 1wxx s LEU 374 Ca 0.00 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1wxx s LEU 374 Cb 0.00 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1wxx s LEU 374 CO 0.00 0.15 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.41 1wxx s LYS 375 N 0.54 2.12 -0.07 1.98 3.01 -0.65 -3.92 119.74 122.76 1wxx s LYS 375 Ca 0.04 -0.80 -0.03 0.00 -1.01 0.00 0.00 55.97 54.17 1wxx s LYS 375 Cb -0.13 -1.88 0.04 0.00 -1.01 0.00 0.00 37.83 34.85 1wxx s LYS 375 CO 0.01 0.39 0.13 0.12 0.51 0.00 0.00 175.35 176.50 1wxx s PHE 376 N -0.24 -0.11 0.04 3.18 5.36 -0.86 -2.16 117.98 123.18 1wxx s PHE 376 Ca 0.01 0.48 0.04 0.00 -0.96 0.00 0.00 56.93 56.49 1wxx s PHE 376 Cb -0.11 -0.27 -0.02 0.00 -0.34 0.00 0.00 43.02 42.28 1wxx s PHE 376 CO 0.02 -0.22 -0.11 0.00 -1.46 0.00 0.00 175.22 173.45 1wxx s ALA 377 N 1.95 0.88 -0.09 11.12 0.00 -0.19 0.50 121.76 135.94 1wxx s ALA 377 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1wxx s ALA 377 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1wxx s ALA 377 CO -0.05 0.13 -0.21 0.08 0.00 0.00 0.00 175.76 175.71 1wxx s VAL 378 N -0.91 1.83 0.19 0.00 1.01 -0.17 -0.79 120.40 121.56 1wxx s VAL 378 Ca -0.02 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1wxx s VAL 378 Cb -0.08 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1wxx s VAL 378 CO 0.01 0.51 -0.08 -0.36 0.00 0.00 0.00 175.10 175.18 1wxx s PHE 379 N 0.35 1.46 -0.05 5.22 0.40 0.91 -0.83 117.98 125.43 1wxx s PHE 379 Ca -0.16 -0.76 0.03 0.00 -0.60 0.00 0.00 56.93 55.44 1wxx s PHE 379 Cb -0.17 -0.76 0.01 0.00 0.51 0.00 0.00 43.02 42.61 1wxx s PHE 379 CO 0.07 0.12 -0.14 -1.14 0.70 0.00 0.00 175.22 174.83 1wxx s GLN 380 N -3.75 1.67 -0.05 0.44 0.74 -0.45 -0.66 119.66 117.60 1wxx s GLN 380 Ca 0.21 -0.47 -0.30 0.00 0.05 0.00 0.00 55.36 54.85 1wxx s GLN 380 Cb 0.03 -1.41 -0.03 0.00 1.10 0.00 0.00 33.01 32.70 1wxx s GLN 380 CO 0.04 0.11 1.17 0.08 -0.55 0.00 0.00 175.29 176.14 1wxx s VAL 381 N 0.40 4.31 -2.90 1.34 1.01 0.32 -0.90 120.40 123.98 1wxx s VAL 381 Ca -0.10 1.64 0.25 0.00 0.00 0.00 0.00 61.98 63.76 1wxx s VAL 381 Cb -0.14 -4.05 0.26 0.00 0.00 0.00 0.00 36.38 32.46 1wxx s VAL 381 CO 0.03 0.02 1.36 0.18 0.00 0.00 0.00 175.10 176.69