#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 5.36 -0.20 0.55 1.01 -0.76 -4.36 121.20 122.79 1wxx s ILE 3 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 1wxx s ILE 3 Cb 0.00 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 1wxx s ILE 3 CO 0.00 0.41 -0.03 -1.10 0.00 0.00 0.00 174.94 174.22 1wxx s GLN 4 N 0.62 3.50 0.34 2.79 -1.52 0.26 -0.53 119.66 125.13 1wxx s GLN 4 Ca 0.08 -0.57 0.07 0.00 -1.95 0.00 0.00 55.36 52.98 1wxx s GLN 4 Cb -0.12 -3.02 -0.02 0.00 -0.22 0.00 0.00 33.01 29.63 1wxx s GLN 4 CO 0.00 -0.06 0.34 0.14 -0.25 0.00 0.00 175.29 175.46 1wxx s VAL 5 N 1.16 3.57 0.54 1.09 -7.23 -0.34 0.34 120.40 119.53 1wxx s VAL 5 Ca 0.02 -1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1wxx s VAL 5 Cb -0.15 -3.21 0.11 0.00 0.56 0.00 0.00 36.38 33.70 1wxx s VAL 5 CO 0.00 -0.16 0.74 -0.46 -0.31 0.00 0.00 175.10 174.91 1wxx n ASN 6 N -1.44 0.58 -0.17 4.85 0.23 -0.36 -4.61 115.26 114.33 1wxx n ASN 6 Ca -0.01 -1.59 0.02 0.00 -0.53 0.00 0.00 54.58 52.47 1wxx n ASN 6 Cb 0.60 -0.52 0.30 0.00 -2.08 0.00 0.00 39.78 38.07 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 -1.05 1.54 -0.30 -2.53 0.00 -1.99 -0.26 119.26 114.68 1wxx h ALA 7 Ca -0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1wxx h ALA 7 Cb 0.79 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1wxx h ALA 7 CO 0.22 0.42 0.14 -0.22 0.00 0.00 0.00 179.25 179.81 1wxx h LYS 8 N 0.89 0.43 -0.39 0.00 3.64 -1.93 0.12 116.57 119.33 1wxx h LYS 8 Ca 0.25 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1wxx h LYS 8 Cb -0.07 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1wxx h LYS 8 CO -0.06 0.41 -0.13 0.78 -2.27 0.00 0.00 179.45 178.17 1wxx h GLY 9 N 0.35 0.77 0.93 5.01 0.00 -1.64 -2.23 103.07 106.25 1wxx h GLY 9 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1wxx h GLY 9 CO -0.01 0.54 0.11 0.00 0.00 0.00 0.00 176.54 177.18 1wxx h ALA 10 N 1.21 0.30 -0.87 3.60 0.00 -0.76 -1.80 119.26 120.94 1wxx h ALA 10 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wxx h ALA 10 Cb 0.59 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1wxx h ALA 10 CO 0.04 -0.14 0.57 0.00 0.00 0.00 0.00 179.25 179.72 1wxx h ALA 11 N 0.98 1.37 -0.14 0.00 0.00 -0.77 0.14 119.26 120.83 1wxx h ALA 11 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wxx h ALA 11 Cb 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1wxx h ALA 11 CO -0.01 0.58 0.05 0.00 0.00 0.00 0.00 179.25 179.88 1wxx h ARG 12 N 1.19 0.21 -0.28 0.00 3.08 -1.12 -1.83 114.38 115.64 1wxx h ARG 12 Ca 0.32 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.23 1wxx h ARG 12 Cb -0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1wxx h ARG 12 CO -0.07 0.31 -0.25 -0.07 -1.07 0.00 0.00 179.97 178.82 1wxx h LEU 13 N 0.07 0.54 -1.13 3.04 3.38 -0.99 -1.62 115.31 118.59 1wxx h LEU 13 Ca 0.05 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1wxx h LEU 13 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1wxx h LEU 13 CO -0.00 0.78 -0.24 -0.07 0.09 0.00 0.00 178.44 179.00 1wxx h LEU 14 N 0.47 0.31 0.00 1.67 3.38 -0.87 -1.26 115.31 119.01 1wxx h LEU 14 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wxx h LEU 14 Cb 0.69 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1wxx h LEU 14 CO 0.05 0.56 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 1wxx n SER 15 N -4.16 0.00 -0.06 -0.43 3.41 -0.70 -4.90 113.62 106.78 1wxx n SER 15 Ca -0.01 0.16 -0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1wxx n SER 15 Cb 0.37 -0.38 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.38 -0.05 -2.64 4.33 5.12 -0.47 -4.87 116.66 116.71 1wxx n ARG 16 Ca 0.10 0.28 -0.32 0.00 -1.93 0.00 0.00 57.85 55.97 1wxx n ARG 16 Cb 0.25 -3.81 -0.05 0.00 -1.16 0.00 0.00 32.46 27.69 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 -2.03 3.39 -0.92 -1.55 2.46 -0.65 -4.56 115.29 111.43 1wxx s HIS 17 Ca 0.00 1.49 0.23 0.00 0.47 0.00 0.00 55.06 57.26 1wxx s HIS 17 Cb 0.00 -2.79 0.19 0.00 -0.13 0.00 0.00 32.58 29.86 1wxx s HIS 17 CO 0.00 -0.22 1.18 1.28 -2.47 0.00 0.00 174.74 174.51 1wxx n LEU 18 N -1.10 0.67 -4.63 8.88 4.77 -1.26 -4.32 117.00 120.01 1wxx n LEU 18 Ca 0.06 -0.15 -0.32 0.00 -0.03 0.00 0.00 56.01 55.57 1wxx n LEU 18 Cb 0.54 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1wxx n LEU 18 CO 0.42 0.14 -0.36 0.26 -1.33 0.00 0.00 177.39 176.52 1wxx s TRP 19 N -3.04 2.95 -0.04 -1.77 0.51 -1.26 -0.62 118.94 115.66 1wxx s TRP 19 Ca 0.09 -0.01 -0.02 0.00 -2.12 0.00 0.00 56.10 54.04 1wxx s TRP 19 Cb 0.16 -1.62 0.03 0.00 -0.81 0.00 0.00 33.47 31.24 1wxx s TRP 19 CO 0.77 0.41 0.04 0.08 -0.51 0.00 0.00 176.95 177.74 1wxx s VAL 20 N -1.05 -0.00 0.56 4.03 1.01 -0.89 -4.83 120.40 119.23 1wxx s VAL 20 Ca 0.18 0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.41 1wxx s VAL 20 Cb -0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1wxx s VAL 20 CO 0.09 0.19 0.94 -0.36 0.00 0.00 0.00 175.10 175.96 1wxx s PHE 21 N 2.04 3.59 0.50 5.22 0.40 -1.26 -1.23 117.98 127.24 1wxx s PHE 21 Ca 0.04 1.15 0.26 0.00 -0.60 0.00 0.00 56.93 57.78 1wxx s PHE 21 Cb -0.12 -2.59 1.35 0.00 0.51 0.00 0.00 43.02 42.17 1wxx s PHE 21 CO -0.03 -0.51 1.92 0.07 0.70 0.00 0.00 175.22 177.36 1wxx h ARG 22 N 0.04 0.11 0.00 0.44 0.11 -0.88 -0.13 114.38 114.06 1wxx h ARG 22 Ca -0.45 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 1wxx h ARG 22 Cb 1.19 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.25 1wxx h ARG 22 CO 0.62 0.07 -0.05 0.00 0.10 0.00 0.00 179.97 180.71 1wxx h ARG 23 N 0.11 0.00 -0.59 0.08 3.08 -1.93 -1.99 114.38 113.14 1wxx h ARG 23 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1wxx h ARG 23 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1wxx h ARG 23 CO -0.05 0.05 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 1wxx n ASP 24 N -3.53 4.40 -4.46 7.04 8.00 -0.06 -4.84 116.55 123.09 1wxx n ASP 24 Ca -0.02 -2.41 -0.39 0.00 0.71 0.00 0.00 54.79 52.69 1wxx n ASP 24 Cb 0.16 -0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.76 4.70 0.02 2.53 1.01 -0.75 -1.23 120.40 124.92 1wxx s VAL 25 Ca 0.47 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1wxx s VAL 25 Cb 0.30 -3.38 -0.21 0.00 0.00 0.00 0.00 36.38 33.08 1wxx s VAL 25 CO 0.23 0.08 1.14 0.58 0.00 0.00 0.00 175.10 177.13 1wxx h VAL 26 N 5.62 1.41 -2.98 2.92 2.07 -0.39 -3.48 116.25 121.43 1wxx h VAL 26 Ca -0.32 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.19 1wxx h VAL 26 Cb 1.15 2.46 -0.13 0.00 -1.52 0.00 0.00 31.29 33.24 1wxx h VAL 26 CO 0.61 0.58 0.12 -0.94 0.02 0.00 0.00 177.57 177.96 1wxx s SER 27 N -6.69 -0.48 -0.03 0.57 1.04 -1.03 -5.00 113.70 102.08 1wxx s SER 27 Ca -0.13 0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.12 1wxx s SER 27 Cb 0.04 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.77 1wxx s SER 27 CO 0.82 -0.88 0.84 0.61 0.98 0.00 0.00 173.24 175.61 1wxx n GLY 28 N -0.13 0.32 3.64 7.32 0.00 -1.26 -0.57 105.19 114.50 1wxx n GLY 28 Ca -0.17 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 1wxx n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wxx n PRO 29 N -0.61 -0.44 0.00 1.61 -0.02 -1.26 -4.94 135.00 129.34 1wxx n PRO 29 Ca 0.03 -0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.58 1wxx n PRO 29 Cb 0.37 -2.31 0.34 0.00 -0.02 0.00 0.00 33.50 31.88 1wxx n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1wxx n GLU 30 N -3.92 0.89 -4.08 -0.52 1.02 -1.26 -4.72 120.64 108.04 1wxx n GLU 30 Ca 0.11 -0.55 -0.08 0.00 -0.02 0.00 0.00 57.16 56.62 1wxx n GLU 30 Cb 0.52 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.35 1wxx n GLU 30 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1wxx s THR 31 N -2.50 0.31 0.79 2.62 -4.23 -1.26 -4.89 115.64 106.48 1wxx s THR 31 Ca 0.24 -1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 59.01 1wxx s THR 31 Cb 0.19 -1.24 0.08 0.00 1.34 0.00 0.00 72.50 72.87 1wxx s THR 31 CO 0.52 -0.83 1.21 -2.84 -0.54 0.00 0.00 174.62 172.14 1wxx s PRO 32 N -3.25 1.70 0.00 3.99 0.02 -1.26 -4.72 135.00 131.48 1wxx s PRO 32 Ca 0.02 1.78 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1wxx s PRO 32 Cb 0.03 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1wxx s PRO 32 CO -0.07 -2.17 0.00 0.41 -0.33 0.00 0.00 177.00 174.84 1wxx n GLY 33 N 0.52 -1.01 3.36 0.52 0.00 -0.49 -4.97 105.19 103.12 1wxx n GLY 33 Ca 0.14 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 3.06 0.04 0.99 1.43 -1.26 0.29 118.68 123.22 1wxx s LEU 34 Ca 0.00 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1wxx s LEU 34 Cb 0.00 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 1wxx s LEU 34 CO 0.00 -0.00 0.14 -0.31 0.23 0.00 0.00 176.35 176.41 1wxx s TYR 35 N 1.39 0.14 0.44 0.29 2.02 -0.59 -4.98 117.35 116.06 1wxx s TYR 35 Ca 0.05 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.13 1wxx s TYR 35 Cb -0.14 -0.09 -0.10 0.00 -0.40 0.00 0.00 41.96 41.22 1wxx s TYR 35 CO -0.01 -0.39 0.98 -1.25 -1.57 0.00 0.00 175.55 173.30 1wxx s PRO 36 N -2.60 4.13 -0.09 -1.71 0.04 -1.26 -1.37 135.00 132.13 1wxx s PRO 36 Ca -0.05 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.20 1wxx s PRO 36 Cb -0.01 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1wxx s PRO 36 CO -0.04 -0.13 -0.12 0.08 0.04 0.00 0.00 177.00 176.83 1wxx s VAL 37 N -2.10 3.22 0.13 -0.36 1.01 0.24 -1.82 120.40 120.73 1wxx s VAL 37 Ca 0.63 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1wxx s VAL 37 Cb -0.12 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1wxx s VAL 37 CO 0.15 0.56 -0.15 -0.31 0.00 0.00 0.00 175.10 175.36 1wxx s TYR 38 N -0.20 1.48 -0.36 5.22 1.51 0.31 -0.24 117.35 125.05 1wxx s TYR 38 Ca 0.01 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1wxx s TYR 38 Cb -0.13 -0.76 0.11 0.00 -0.11 0.00 0.00 41.96 41.06 1wxx s TYR 38 CO 0.03 0.18 0.09 -0.46 -1.11 0.00 0.00 175.55 174.28 1wxx s TRP 39 N -2.20 3.34 0.00 2.71 -0.00 -0.61 -1.20 118.94 120.98 1wxx s TRP 39 Ca 0.11 -2.84 0.00 0.00 -0.00 0.00 0.00 56.10 53.37 1wxx s TRP 39 Cb -0.05 -2.71 0.00 0.00 -0.00 0.00 0.00 33.47 30.71 1wxx s TRP 39 CO 0.04 -0.90 0.00 0.41 -0.00 0.00 0.00 176.95 176.49 1wxx n GLY 40 N 4.15 2.04 0.83 5.86 0.00 -1.26 -1.69 105.19 115.11 1wxx n GLY 40 Ca 0.03 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 13.09 2.06 -3.34 1.61 5.12 -1.26 -4.88 116.66 129.05 1wxx n ARG 41 Ca 0.00 -1.63 -0.40 0.00 -1.93 0.00 0.00 57.85 53.89 1wxx n ARG 41 Cb 0.00 -1.40 -0.09 0.00 -1.16 0.00 0.00 32.46 29.81 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 -1.52 3.72 0.29 5.56 3.52 -0.68 -5.05 118.95 124.79 1wxx s ARG 42 Ca 0.33 -0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 1wxx s ARG 42 Cb 0.18 -3.76 -0.10 0.00 -1.56 0.00 0.00 34.95 29.70 1wxx s ARG 42 CO 0.25 -0.49 1.45 0.12 -0.81 0.00 0.00 175.30 175.82 1wxx s PHE 43 N 2.16 2.92 -0.01 5.12 5.36 -1.26 -1.57 117.98 130.70 1wxx s PHE 43 Ca 0.15 1.07 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 1wxx s PHE 43 Cb -0.16 -3.86 -0.01 0.00 -0.34 0.00 0.00 43.02 38.65 1wxx s PHE 43 CO 0.12 -2.73 -0.01 1.28 -1.46 0.00 0.00 175.22 172.42 1wxx n LEU 44 N 1.81 2.05 -3.74 6.12 4.77 0.66 -4.91 117.00 123.76 1wxx n LEU 44 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1wxx n LEU 44 Cb 0.40 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1wxx n LEU 44 CO 0.61 0.36 0.96 0.00 -1.33 0.00 0.00 177.39 178.00 1wxx s ALA 45 N -2.03 -2.07 -0.10 -1.18 0.00 -1.14 -4.55 121.76 110.69 1wxx s ALA 45 Ca -0.02 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 1wxx s ALA 45 Cb 0.01 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 1wxx s ALA 45 CO 0.03 -1.07 0.03 -0.51 0.00 0.00 0.00 175.76 174.24 1wxx s LEU 46 N -3.16 3.75 0.16 0.00 1.43 -0.24 0.82 118.68 121.44 1wxx s LEU 46 Ca 0.17 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 1wxx s LEU 46 Cb 0.02 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1wxx s LEU 46 CO -0.01 0.36 0.29 0.00 0.23 0.00 0.00 176.35 177.22 1wxx s ALA 47 N -0.77 -0.08 -0.06 4.21 0.00 -0.47 -1.35 121.76 123.25 1wxx s ALA 47 Ca 0.12 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 1wxx s ALA 47 Cb -0.12 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 1wxx s ALA 47 CO 0.02 -0.64 0.46 -0.51 0.00 0.00 0.00 175.76 175.09 1wxx s LEU 48 N -2.95 4.37 0.05 0.00 1.02 -0.05 -1.54 118.68 119.57 1wxx s LEU 48 Ca 0.15 0.91 0.07 0.00 0.02 0.00 0.00 54.13 55.28 1wxx s LEU 48 Cb 0.03 -2.68 -0.02 0.00 0.02 0.00 0.00 46.19 43.54 1wxx s LEU 48 CO -0.01 0.14 -0.19 -0.47 0.02 0.00 0.00 176.35 175.85 1wxx s TYR 49 N -0.15 1.61 -0.20 0.29 5.04 0.14 -1.77 117.35 122.32 1wxx s TYR 49 Ca 0.25 -0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 54.47 1wxx s TYR 49 Cb -0.16 -0.95 0.09 0.00 0.35 0.00 0.00 41.96 41.28 1wxx s TYR 49 CO 0.12 0.08 0.18 1.21 -1.34 0.00 0.00 175.55 175.80 1wxx s ASN 50 N -1.25 1.85 0.00 4.32 3.84 -0.63 -1.40 114.94 121.68 1wxx s ASN 50 Ca 0.05 -0.45 0.09 0.00 0.21 0.00 0.00 52.86 52.76 1wxx s ASN 50 Cb -0.09 0.14 0.54 0.00 -0.55 0.00 0.00 41.25 41.29 1wxx s ASN 50 CO 0.02 -0.35 1.23 -0.81 -2.79 0.00 0.00 177.10 174.40 1wxx n PRO 51 N 5.30 0.86 -0.00 0.43 -0.04 -1.26 -3.60 135.00 136.69 1wxx n PRO 51 Ca -0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1wxx n PRO 51 Cb 0.49 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.66 0.00 -4.16 0.54 8.25 -1.26 -5.04 115.22 112.89 1wxx n HIS 52 Ca 0.07 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.30 1wxx n HIS 52 Cb 0.03 -0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.05 3.95 0.21 1.59 -4.23 -1.24 -5.03 115.64 108.84 1wxx s THR 53 Ca 0.01 -1.60 -0.10 0.00 -1.18 0.00 0.00 61.69 58.82 1wxx s THR 53 Cb 0.06 -3.17 0.15 0.00 1.34 0.00 0.00 72.50 70.88 1wxx s THR 53 CO 0.36 -0.34 1.86 -0.78 -0.54 0.00 0.00 174.62 175.18 1wxx h ASP 54 N 1.62 0.76 -2.75 3.99 3.58 -1.96 -3.28 116.42 118.37 1wxx h ASP 54 Ca -0.46 -0.01 -0.69 0.00 0.42 0.00 0.00 57.03 56.29 1wxx h ASP 54 Cb 1.24 -0.17 -0.19 0.00 1.72 0.00 0.00 39.33 41.94 1wxx h ASP 54 CO 0.61 0.53 0.50 -0.22 -2.88 0.00 0.00 179.24 177.78 1wxx s LEU 55 N -10.17 5.23 -0.02 2.28 2.96 -1.26 -0.31 118.68 117.39 1wxx s LEU 55 Ca -0.13 -1.77 -0.08 0.00 -0.22 0.00 0.00 54.13 51.94 1wxx s LEU 55 Cb 0.15 -2.35 -0.30 0.00 0.50 0.00 0.00 46.19 44.19 1wxx s LEU 55 CO 0.77 -1.09 0.78 0.00 -1.32 0.00 0.00 176.35 175.50 1wxx h ALA 56 N 8.93 0.18 -3.27 5.97 0.00 -1.59 -3.44 119.26 126.05 1wxx h ALA 56 Ca -0.05 -1.11 -0.66 0.00 0.00 0.00 0.00 54.91 53.09 1wxx h ALA 56 Cb 1.05 0.35 -0.29 0.00 0.00 0.00 0.00 17.79 18.90 1wxx h ALA 56 CO 1.08 1.05 -0.80 0.08 0.00 0.00 0.00 179.25 180.66 1wxx s VAL 57 N -2.60 2.70 -0.34 0.00 1.01 -0.37 -1.60 120.40 119.21 1wxx s VAL 57 Ca -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1wxx s VAL 57 Cb 0.06 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.42 1wxx s VAL 57 CO 0.86 0.53 0.11 -0.13 0.00 0.00 0.00 175.10 176.46 1wxx s ARG 58 N 0.56 1.00 0.52 2.72 0.52 -0.73 -2.10 118.95 121.44 1wxx s ARG 58 Ca -0.10 -1.42 -0.19 0.00 -0.52 0.00 0.00 55.73 53.50 1wxx s ARG 58 Cb -0.16 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 32.88 1wxx s ARG 58 CO 0.04 -1.00 1.09 0.00 0.02 0.00 0.00 175.30 175.44 1wxx s ALA 59 N 1.25 2.77 0.00 2.13 0.00 0.20 -0.87 121.76 127.24 1wxx s ALA 59 Ca 0.11 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1wxx s ALA 59 Cb -0.19 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1wxx s ALA 59 CO -0.17 -0.59 0.04 2.48 0.00 0.00 0.00 175.76 177.52 1wxx n TYR 60 N -1.22 0.00 -3.70 0.00 0.18 -0.46 -4.78 117.16 107.18 1wxx n TYR 60 Ca 0.10 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.75 1wxx n TYR 60 Cb 0.52 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.39 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 -0.09 0.63 -0.27 -3.48 1.81 -1.21 -4.94 118.95 111.41 1wxx s ARG 61 Ca 0.00 0.42 0.09 0.00 -1.72 0.00 0.00 55.73 54.52 1wxx s ARG 61 Cb 0.00 0.30 0.47 0.00 -0.45 0.00 0.00 34.95 35.27 1wxx s ARG 61 CO 0.00 -0.12 1.36 1.19 -0.68 0.00 0.00 175.30 177.05 1wxx n PHE 62 N 2.26 0.81 -3.74 -0.53 3.72 -1.26 -1.08 117.46 117.64 1wxx n PHE 62 Ca -0.16 -1.64 -0.13 0.00 -0.05 0.00 0.00 57.45 55.46 1wxx n PHE 62 Cb 0.57 -0.40 -0.09 0.00 -0.94 0.00 0.00 39.48 38.61 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 -3.29 -0.87 0.80 4.37 0.00 -1.26 -4.79 121.76 116.72 1wxx s ALA 63 Ca 0.43 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1wxx s ALA 63 Cb 0.40 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.46 1wxx s ALA 63 CO -0.03 -0.24 1.15 -1.25 0.00 0.00 0.00 175.76 175.39 1wxx s PRO 64 N -0.86 1.81 -0.06 0.00 0.04 -1.26 -4.69 135.00 129.98 1wxx s PRO 64 Ca -0.09 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 1wxx s PRO 64 Cb -0.04 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1wxx s PRO 64 CO 0.03 -2.03 0.15 0.00 0.04 0.00 0.00 177.00 175.19 1wxx s ALA 65 N -2.48 -0.34 0.30 8.56 0.00 -1.26 -5.04 121.76 121.49 1wxx s ALA 65 Ca 0.68 0.49 0.01 0.00 0.00 0.00 0.00 51.96 53.14 1wxx s ALA 65 Cb -0.23 -0.30 0.46 0.00 0.00 0.00 0.00 23.12 23.05 1wxx s ALA 65 CO 0.52 -0.09 1.83 0.93 0.00 0.00 0.00 175.76 178.94 1wxx h GLU 66 N 6.28 0.70 -3.81 0.00 5.08 -2.04 -3.37 114.58 117.42 1wxx h GLU 66 Ca -0.30 -0.16 -0.63 0.00 -1.00 0.00 0.00 59.36 57.28 1wxx h GLU 66 Cb 1.18 -0.10 -0.40 0.00 0.50 0.00 0.00 28.75 29.93 1wxx h GLU 66 CO 0.42 0.68 -0.72 0.34 -1.00 0.00 0.00 179.01 178.73 1wxx s ASP 67 N -6.66 4.27 0.32 1.42 -1.08 -1.26 -5.00 116.67 108.68 1wxx s ASP 67 Ca -0.09 -2.28 0.06 0.00 -0.52 0.00 0.00 52.55 49.73 1wxx s ASP 67 Cb 0.15 -1.31 0.73 0.00 -1.46 0.00 0.00 42.92 41.03 1wxx s ASP 67 CO 0.79 -0.34 1.82 -0.65 0.52 0.00 0.00 175.17 177.31 1wxx h PRO 68 N 7.35 0.76 -0.08 4.34 0.11 -1.99 -1.13 132.00 141.37 1wxx h PRO 68 Ca -0.07 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1wxx h PRO 68 Cb 0.98 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1wxx h PRO 68 CO 0.53 0.51 -0.03 0.28 -0.21 0.00 0.00 178.00 179.08 1wxx h VAL 69 N 0.79 1.30 -0.54 3.15 2.07 -1.96 -1.90 116.25 119.16 1wxx h VAL 69 Ca 0.52 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1wxx h VAL 69 Cb 0.76 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1wxx h VAL 69 CO -0.29 0.27 0.36 0.00 0.02 0.00 0.00 177.57 177.93 1wxx h ALA 70 N 0.65 1.82 -0.26 1.67 0.00 -1.84 -1.08 119.26 120.22 1wxx h ALA 70 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wxx h ALA 70 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wxx h ALA 70 CO 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 179.25 179.34 1wxx h ALA 71 N 1.70 0.36 -0.81 0.00 0.00 -1.02 -1.01 119.26 118.47 1wxx h ALA 71 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1wxx h ALA 71 Cb 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1wxx h ALA 71 CO -0.06 0.12 0.37 1.25 0.00 0.00 0.00 179.25 180.93 1wxx h LEU 72 N 0.25 1.08 -1.09 0.00 5.85 -0.58 -1.94 115.31 118.88 1wxx h LEU 72 Ca 0.07 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1wxx h LEU 72 Cb 0.47 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1wxx h LEU 72 CO 0.02 0.92 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.57 1wxx h LEU 73 N 1.17 0.00 -0.55 2.25 3.38 -1.09 -2.15 115.31 118.32 1wxx h LEU 73 Ca 0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 1wxx h LEU 73 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1wxx h LEU 73 CO -0.03 0.41 -0.05 -0.33 0.09 0.00 0.00 178.44 178.53 1wxx h GLU 74 N 0.00 1.01 -0.84 1.13 5.08 -0.48 -1.92 114.58 118.55 1wxx h GLU 74 Ca -0.00 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1wxx h GLU 74 Cb 0.82 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1wxx h GLU 74 CO 0.05 1.03 0.50 -0.91 -1.00 0.00 0.00 179.01 178.68 1wxx h ASN 75 N 0.89 1.02 -0.44 1.42 4.21 -0.81 -0.98 115.58 120.88 1wxx h ASN 75 Ca 0.15 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.56 1wxx h ASN 75 Cb 0.60 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 1wxx h ASN 75 CO 0.04 0.79 0.14 0.25 -1.29 0.00 0.00 177.43 177.36 1wxx h LEU 76 N 1.16 0.64 -0.73 1.61 5.85 -1.07 -1.08 115.31 121.70 1wxx h LEU 76 Ca 0.30 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1wxx h LEU 76 Cb -0.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1wxx h LEU 76 CO -0.06 0.67 0.31 0.00 -0.34 0.00 0.00 178.44 179.03 1wxx h ALA 77 N 0.99 0.94 -0.39 1.25 0.00 -0.84 -1.17 119.26 120.04 1wxx h ALA 77 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1wxx h ALA 77 Cb 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1wxx h ALA 77 CO -0.01 0.54 -0.05 1.96 0.00 0.00 0.00 179.25 181.70 1wxx h GLN 78 N 1.03 0.65 -0.12 0.00 4.20 -0.97 -0.18 115.11 119.72 1wxx h GLN 78 Ca 0.25 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1wxx h GLN 78 Cb 0.18 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1wxx h GLN 78 CO -0.02 0.70 -0.02 0.00 -0.67 0.00 0.00 178.83 178.82 1wxx h ALA 79 N 1.34 0.17 -0.58 3.87 0.00 -0.66 -2.92 119.26 120.48 1wxx h ALA 79 Ca 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1wxx h ALA 79 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1wxx h ALA 79 CO 0.02 -0.10 0.22 -0.07 0.00 0.00 0.00 179.25 179.32 1wxx h LEU 80 N -0.07 0.78 -1.88 0.00 3.38 -1.03 -2.15 115.31 114.33 1wxx h LEU 80 Ca 0.03 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1wxx h LEU 80 Cb 0.42 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1wxx h LEU 80 CO 0.01 0.71 0.22 0.00 0.09 0.00 0.00 178.44 179.47 1wxx h ALA 81 N 1.41 2.12 0.00 1.53 0.00 -0.89 -0.45 119.26 122.98 1wxx h ALA 81 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1wxx h ALA 81 Cb 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wxx h ALA 81 CO -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 179.25 178.95 1wxx h ARG 82 N 0.14 0.00 -0.00 0.00 3.08 -1.20 -3.10 114.38 113.30 1wxx h ARG 82 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1wxx h ARG 82 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1wxx h ARG 82 CO -0.02 0.09 -0.85 0.54 -1.07 0.00 0.00 179.97 178.66 1wxx n ARG 83 N -3.23 0.67 -0.13 0.04 3.00 -0.23 -4.64 116.66 112.13 1wxx n ARG 83 Ca 0.00 -0.13 -0.06 0.00 -0.01 0.00 0.00 57.85 57.66 1wxx n ARG 83 Cb 0.36 -1.42 0.01 0.00 0.00 0.00 0.00 32.46 31.41 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 0.31 -0.16 -0.40 5.56 5.08 -1.32 -1.99 114.58 121.66 1wxx h GLU 84 Ca 0.00 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1wxx h GLU 84 Cb 0.49 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1wxx h GLU 84 CO 0.00 -0.11 0.06 0.00 -1.00 0.00 0.00 179.01 177.96 1wxx h ALA 85 N 1.05 0.41 0.00 3.43 0.00 -1.82 -2.33 119.26 120.00 1wxx h ALA 85 Ca 0.20 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1wxx h ALA 85 Cb 0.49 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1wxx h ALA 85 CO -0.54 -0.34 -0.38 -0.39 0.00 0.00 0.00 179.25 177.60 1wxx h VAL 86 N 0.18 1.10 -0.05 0.00 -1.51 -1.77 -2.93 116.25 111.26 1wxx h VAL 86 Ca 0.19 -1.37 -0.12 0.00 -1.23 0.00 0.00 66.70 64.18 1wxx h VAL 86 Cb 0.25 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1wxx h VAL 86 CO -0.27 0.37 -0.51 -0.07 -1.23 0.00 0.00 177.57 175.85 1wxx h LEU 87 N 0.00 0.14 -0.17 4.19 3.38 -0.83 0.06 115.31 122.08 1wxx h LEU 87 Ca -0.00 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.67 1wxx h LEU 87 Cb 0.74 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1wxx h LEU 87 CO 0.05 0.63 -0.95 0.03 0.09 0.00 0.00 178.44 178.29 1wxx h ARG 88 N 0.10 0.36 0.00 1.13 3.08 -1.32 -2.59 114.38 115.14 1wxx h ARG 88 Ca 0.00 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1wxx h ARG 88 Cb 0.94 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1wxx h ARG 88 CO 0.07 1.08 -1.19 0.00 -1.07 0.00 0.00 179.97 178.86 1wxx n GLN 89 N -3.71 0.45 -3.04 0.04 10.64 -1.12 -4.51 117.38 116.12 1wxx n GLN 89 Ca -0.06 -0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 54.94 1wxx n GLN 89 Cb 0.84 -1.65 -0.02 0.00 -0.86 0.00 0.00 30.24 28.56 1wxx n GLN 89 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wxx n ASP 90 N -2.23 1.32 0.25 2.61 2.03 0.00 -4.96 116.55 115.57 1wxx n ASP 90 Ca 0.00 -3.02 0.17 0.00 0.52 0.00 0.00 54.79 52.47 1wxx n ASP 90 Cb 0.49 -0.59 0.88 0.00 -0.72 0.00 0.00 41.12 41.18 1wxx n ASP 90 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wxx h PRO 91 N 2.99 0.00 -0.48 -0.67 0.13 -1.64 -1.61 132.00 130.73 1wxx h PRO 91 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1wxx h PRO 91 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1wxx h PRO 91 CO 0.53 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.69 1wxx n GLU 92 N -3.73 2.26 -1.55 0.86 1.02 -1.26 -3.60 120.64 114.63 1wxx n GLU 92 Ca -0.00 -1.95 -0.19 0.00 -0.02 0.00 0.00 57.16 55.00 1wxx n GLU 92 Cb 0.23 -1.44 0.12 0.00 -0.02 0.00 0.00 31.44 30.33 1wxx n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wxx n GLY 93 N 1.38 -0.70 3.06 0.62 0.00 -0.61 -0.52 105.19 108.42 1wxx n GLY 93 Ca 0.19 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 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 -4.79 1.21 0.03 -0.02 0.00 -1.26 -1.06 107.32 101.42 1wxx s GLY 94 Ca 0.51 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 44.23 1wxx s GLY 94 CO 0.35 0.40 -0.02 -0.19 0.00 0.00 0.00 173.10 173.64 1wxx s TYR 95 N 1.35 0.35 -0.17 1.90 1.51 -0.48 -4.99 117.35 116.82 1wxx s TYR 95 Ca 0.03 -0.72 -0.17 0.00 -1.01 0.00 0.00 57.07 55.20 1wxx s TYR 95 Cb -0.13 -0.26 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1wxx s TYR 95 CO -0.10 -0.26 0.46 0.50 -1.11 0.00 0.00 175.55 175.03 1wxx s ARG 96 N -2.37 4.25 -0.08 -0.62 3.52 -1.26 0.45 118.95 122.84 1wxx s ARG 96 Ca -0.07 0.35 0.16 0.00 -0.13 0.00 0.00 55.73 56.04 1wxx s ARG 96 Cb -0.03 -3.50 -0.22 0.00 -1.56 0.00 0.00 34.95 29.63 1wxx s ARG 96 CO -0.04 0.02 0.49 1.28 -0.81 0.00 0.00 175.30 176.24 1wxx n LEU 97 N 4.20 0.54 -3.74 -0.88 4.77 0.93 -4.77 117.00 118.06 1wxx n LEU 97 Ca -0.07 0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 55.97 1wxx n LEU 97 Cb 0.51 0.25 -0.17 0.00 -2.33 0.00 0.00 43.42 41.68 1wxx n LEU 97 CO 0.42 0.36 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.79 1wxx s VAL 98 N -2.67 0.05 -0.52 4.08 1.01 -0.96 -4.30 120.40 117.09 1wxx s VAL 98 Ca -0.06 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1wxx s VAL 98 Cb 0.08 -0.23 0.41 0.00 0.00 0.00 0.00 36.38 36.63 1wxx s VAL 98 CO 0.83 0.17 1.30 1.57 0.00 0.00 0.00 175.10 178.97 1wxx n HIS 99 N 4.85 3.31 0.00 5.22 -0.00 -1.26 -1.73 115.22 125.61 1wxx n HIS 99 Ca -0.13 -2.93 0.00 0.00 0.46 0.00 0.00 57.72 55.12 1wxx n HIS 99 Cb 0.50 -0.32 0.00 0.00 -0.12 0.00 0.00 29.99 30.05 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 -0.50 0.00 -0.30 1.57 0.00 -0.16 -1.69 120.51 119.42 1wxx n ALA 100 Ca 0.42 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.97 1wxx n ALA 100 Cb 0.59 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.31 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 0.52 -0.44 0.00 3.07 -1.87 0.60 114.58 116.46 1wxx h GLU 101 Ca 0.00 -0.03 0.13 0.00 -0.50 0.00 0.00 59.36 58.96 1wxx h GLU 101 Cb 0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1wxx h GLU 101 CO 0.00 0.34 0.39 0.78 -1.40 0.00 0.00 179.01 179.12 1wxx h GLY 102 N 0.53 0.00 -1.71 -3.84 0.00 -1.55 0.96 103.07 97.46 1wxx h GLY 102 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1wxx h GLY 102 CO -0.44 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.32 1wxx n ASP 103 N -4.02 3.93 -3.81 0.19 8.00 -0.31 -4.77 116.55 115.75 1wxx n ASP 103 Ca 0.08 -2.92 -0.28 0.00 0.71 0.00 0.00 54.79 52.38 1wxx n ASP 103 Cb 0.58 -0.53 0.04 0.00 -0.02 0.00 0.00 41.12 41.19 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 -0.33 -2.84 -3.14 0.64 4.77 0.33 -4.86 117.00 111.56 1wxx n LEU 104 Ca 0.21 -0.72 -0.20 0.00 -0.03 0.00 0.00 56.01 55.27 1wxx n LEU 104 Cb 0.87 -2.70 -0.03 0.00 -2.33 0.00 0.00 43.42 39.23 1wxx n LEU 104 CO 0.16 0.51 -0.15 0.18 -1.33 0.00 0.00 177.39 176.76 1wxx n LEU 105 N -4.72 1.57 -4.64 2.23 4.77 0.05 -4.81 117.00 111.44 1wxx n LEU 105 Ca -0.00 -5.14 -0.42 0.00 -0.03 0.00 0.00 56.01 50.42 1wxx n LEU 105 Cb 0.55 0.44 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1wxx n LEU 105 CO 0.72 2.29 0.71 -2.65 -1.33 0.00 0.00 177.39 177.14 1wxx n PRO 106 N 0.24 1.65 -0.92 3.23 -0.02 -1.25 -2.22 135.00 135.71 1wxx n PRO 106 Ca 0.26 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1wxx n PRO 106 Cb 0.60 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.02 0.71 2.84 -1.23 0.00 -1.26 -4.85 105.19 102.41 1wxx n GLY 107 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 1.25 -0.02 0.99 2.96 -0.94 -0.42 118.68 122.50 1wxx s LEU 108 Ca 0.00 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1wxx s LEU 108 Cb 0.00 -0.25 -0.00 0.00 0.50 0.00 0.00 46.19 46.44 1wxx s LEU 108 CO 0.00 -0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.17 1wxx s VAL 109 N 0.93 0.71 -0.03 1.68 1.01 -0.63 -0.99 120.40 123.08 1wxx s VAL 109 Ca -0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1wxx s VAL 109 Cb -0.13 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1wxx s VAL 109 CO -0.01 0.22 0.04 -0.69 0.00 0.00 0.00 175.10 174.66 1wxx s VAL 110 N 0.04 -0.06 0.11 2.92 1.01 -0.71 -0.76 120.40 122.95 1wxx s VAL 110 Ca -0.00 0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.38 1wxx s VAL 110 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1wxx s VAL 110 CO 0.00 0.14 -0.16 -1.81 0.00 0.00 0.00 175.10 173.27 1wxx s ASP 111 N 1.66 4.00 -0.13 3.32 1.11 -0.51 -0.05 116.67 126.07 1wxx s ASP 111 Ca -0.02 -0.51 0.03 0.00 0.18 0.00 0.00 52.55 52.23 1wxx s ASP 111 Cb -0.12 -0.62 0.01 0.00 1.07 0.00 0.00 42.92 43.26 1wxx s ASP 111 CO -0.03 0.18 -0.22 -0.47 1.18 0.00 0.00 175.17 175.81 1wxx s TYR 112 N -1.15 2.66 -0.40 4.23 6.14 0.17 -0.37 117.35 128.63 1wxx s TYR 112 Ca 0.19 -1.28 0.02 0.00 0.64 0.00 0.00 57.07 56.64 1wxx s TYR 112 Cb -0.11 -1.80 0.12 0.00 0.42 0.00 0.00 41.96 40.59 1wxx s TYR 112 CO 0.11 -0.57 0.16 0.71 0.64 0.00 0.00 175.55 176.60 1wxx s TYR 113 N 0.74 2.53 -1.48 4.97 2.02 0.47 -1.39 117.35 125.20 1wxx s TYR 113 Ca -0.09 -2.51 -0.04 0.00 -0.37 0.00 0.00 57.07 54.06 1wxx s TYR 113 Cb -0.16 -2.24 0.04 0.00 -0.40 0.00 0.00 41.96 39.19 1wxx s TYR 113 CO -0.00 -0.84 0.49 0.00 -1.57 0.00 0.00 175.55 173.63 1wxx n ALA 114 N 3.98 -1.83 -0.05 3.71 0.00 -0.23 -1.43 120.51 124.66 1wxx n ALA 114 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1wxx n ALA 114 Cb 0.38 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.89 0.59 3.23 0.00 0.00 -1.24 -4.86 105.19 101.03 1wxx n GLY 115 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.25 3.04 0.11 1.61 3.76 -0.51 -0.08 115.29 120.97 1wxx s HIS 116 Ca 0.00 -1.39 -0.05 0.00 -0.15 0.00 0.00 55.06 53.47 1wxx s HIS 116 Cb 0.00 -2.08 -0.05 0.00 1.11 0.00 0.00 32.58 31.56 1wxx s HIS 116 CO 0.00 -0.69 0.35 0.00 -0.85 0.00 0.00 174.74 173.55 1wxx s ALA 117 N 1.37 3.81 -0.13 -1.40 0.00 -0.56 -0.39 121.76 124.45 1wxx s ALA 117 Ca 0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 1wxx s ALA 117 Cb -0.16 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 20.87 1wxx s ALA 117 CO -0.04 0.67 -0.10 0.08 0.00 0.00 0.00 175.76 176.37 1wxx s VAL 118 N -1.56 1.24 -0.15 0.00 1.01 0.50 -0.55 120.40 120.88 1wxx s VAL 118 Ca 0.38 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1wxx s VAL 118 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1wxx s VAL 118 CO 0.23 0.39 0.09 -0.69 0.00 0.00 0.00 175.10 175.12 1wxx s VAL 119 N 1.62 5.02 -0.21 2.92 1.01 0.10 -1.43 120.40 129.45 1wxx s VAL 119 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1wxx s VAL 119 Cb -0.13 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1wxx s VAL 119 CO -0.09 0.54 -0.02 -1.10 0.00 0.00 0.00 175.10 174.43 1wxx s GLN 120 N -0.34 1.26 -0.19 2.72 -0.21 0.06 -0.62 119.66 122.34 1wxx s GLN 120 Ca 0.10 -0.72 -0.06 0.00 0.02 0.00 0.00 55.36 54.69 1wxx s GLN 120 Cb -0.12 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.52 1wxx s GLN 120 CO 0.01 -0.59 0.03 0.00 -2.12 0.00 0.00 175.29 172.62 1wxx s ALA 121 N 1.59 3.20 -0.04 6.09 0.00 -1.26 -1.60 121.76 129.73 1wxx s ALA 121 Ca -0.03 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1wxx s ALA 121 Cb -0.18 -1.81 0.09 0.00 0.00 0.00 0.00 23.12 21.22 1wxx s ALA 121 CO -0.07 0.05 0.96 0.25 0.00 0.00 0.00 175.76 176.95 1wxx n THR 122 N 3.83 0.95 -4.72 0.00 -2.24 0.44 -4.84 114.28 107.70 1wxx n THR 122 Ca -0.17 -1.07 -0.26 0.00 -2.27 0.00 0.00 64.05 60.29 1wxx n THR 122 Cb 0.52 0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.26 1.43 0.26 6.98 0.00 -1.21 -4.69 121.76 123.27 1wxx s ALA 123 Ca 0.10 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 1wxx s ALA 123 Cb 0.09 -0.58 0.50 0.00 0.00 0.00 0.00 23.12 23.13 1wxx s ALA 123 CO 0.01 0.18 1.61 1.25 0.00 0.00 0.00 175.76 178.81 1wxx h HIS 124 N 6.75 -0.11 -0.65 0.00 2.76 -1.92 -1.09 115.15 120.90 1wxx h HIS 124 Ca -0.30 0.06 0.14 0.00 -2.20 0.00 0.00 60.37 58.08 1wxx h HIS 124 Cb 1.19 0.18 -0.04 0.00 1.55 0.00 0.00 27.41 30.29 1wxx h HIS 124 CO 0.47 -0.30 0.44 0.00 -1.30 0.00 0.00 177.93 177.24 1wxx h ALA 125 N 1.79 2.22 -0.00 5.26 0.00 -1.93 -2.29 119.26 124.31 1wxx h ALA 125 Ca 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 1wxx h ALA 125 Cb 0.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1wxx h ALA 125 CO -0.75 -0.39 -0.47 -1.49 0.00 0.00 0.00 179.25 176.14 1wxx h TRP 126 N 0.28 0.01 -0.46 0.00 4.06 -1.56 -3.32 115.95 114.96 1wxx h TRP 126 Ca 0.31 -0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.34 1wxx h TRP 126 Cb 0.84 -0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.90 1wxx h TRP 126 CO -0.00 0.48 -0.39 1.49 -3.56 0.00 0.00 178.44 176.46 1wxx h GLU 127 N 0.01 -0.26 0.00 0.49 4.57 -1.49 0.19 114.58 118.09 1wxx h GLU 127 Ca -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1wxx h GLU 127 Cb 0.84 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1wxx h GLU 127 CO 0.06 -0.17 0.00 0.41 -1.18 0.00 0.00 179.01 178.13 1wxx n GLY 128 N -1.42 -0.96 0.52 1.92 0.00 -1.25 -2.82 105.19 101.19 1wxx n GLY 128 Ca 0.01 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.28 2.03 -0.32 0.99 4.77 0.56 -4.58 117.00 119.17 1wxx n LEU 129 Ca 0.10 -0.85 0.10 0.00 -0.03 0.00 0.00 56.01 55.33 1wxx n LEU 129 Cb 0.16 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.52 1wxx n LEU 129 CO 0.16 0.37 1.13 -0.07 -1.33 0.00 0.00 177.39 177.65 1wxx h LEU 130 N 2.57 0.61 -1.15 2.23 3.38 -1.14 0.19 115.31 122.00 1wxx h LEU 130 Ca 0.00 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wxx h LEU 130 Cb 0.66 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1wxx h LEU 130 CO 0.00 0.22 0.48 -0.65 0.09 0.00 0.00 178.44 178.57 1wxx h PRO 131 N 0.65 1.05 -0.32 1.13 0.11 -1.84 0.61 132.00 133.40 1wxx h PRO 131 Ca 0.52 -0.09 -0.10 0.00 0.11 0.00 0.00 66.00 66.44 1wxx h PRO 131 Cb 0.80 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1wxx h PRO 131 CO -0.39 0.73 -0.22 1.96 -0.21 0.00 0.00 178.00 179.87 1wxx h GLN 132 N 1.07 0.61 -0.19 1.05 7.50 -1.03 -1.82 115.11 122.30 1wxx h GLN 132 Ca 0.28 -0.23 -0.03 0.00 0.50 0.00 0.00 58.65 59.18 1wxx h GLN 132 Cb -0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.43 1wxx h GLN 132 CO -0.05 0.78 0.01 0.28 -1.50 0.00 0.00 178.83 178.35 1wxx h VAL 133 N 0.54 1.24 -0.56 -0.54 2.07 0.03 -1.55 116.25 117.48 1wxx h VAL 133 Ca 0.08 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1wxx h VAL 133 Cb 0.67 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1wxx h VAL 133 CO 0.05 0.25 0.31 0.00 0.02 0.00 0.00 177.57 178.20 1wxx h ALA 134 N 0.80 0.72 -0.32 1.67 0.00 -0.74 -1.52 119.26 119.88 1wxx h ALA 134 Ca 0.06 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wxx h ALA 134 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wxx h ALA 134 CO 0.01 -0.00 -0.05 0.93 0.00 0.00 0.00 179.25 180.13 1wxx h GLU 135 N 0.60 0.51 -0.18 0.00 4.39 -1.21 0.19 114.58 118.87 1wxx h GLU 135 Ca 0.24 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1wxx h GLU 135 Cb 0.10 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1wxx h GLU 135 CO -0.14 0.57 -0.32 0.00 -1.16 0.00 0.00 179.01 177.96 1wxx h ALA 136 N 1.47 1.12 0.05 3.43 0.00 -0.59 -2.99 119.26 121.76 1wxx h ALA 136 Ca 0.10 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 1wxx h ALA 136 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1wxx h ALA 136 CO 0.02 0.56 -1.07 -0.07 0.00 0.00 0.00 179.25 178.69 1wxx h LEU 137 N 0.32 0.17 -0.76 0.00 3.38 -0.60 -3.39 115.31 114.43 1wxx h LEU 137 Ca 0.04 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 57.96 1wxx h LEU 137 Cb 0.72 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 1wxx h LEU 137 CO 0.06 1.12 -0.26 -1.14 0.09 0.00 0.00 178.44 178.30 1wxx n ARG 138 N -3.45 -0.15 0.23 1.13 0.63 0.61 0.23 116.66 115.90 1wxx n ARG 138 Ca -0.03 1.17 0.16 0.00 -0.92 0.00 0.00 57.85 58.23 1wxx n ARG 138 Cb 0.95 -1.75 0.81 0.00 0.45 0.00 0.00 32.46 32.93 1wxx n ARG 138 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1wxx h PRO 139 N 0.00 0.00 0.00 -0.14 0.13 -1.76 -2.73 132.00 127.50 1wxx h PRO 139 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1wxx h PRO 139 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1wxx h PRO 139 CO -0.76 0.00 -0.86 0.72 -0.23 0.00 0.00 178.00 176.87 1wxx n HIS 140 N -2.64 0.00 -4.43 1.56 8.25 0.13 -5.05 115.22 113.05 1wxx n HIS 140 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 1wxx n HIS 140 Cb 0.10 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.63 0.81 -0.24 1.59 -7.23 -1.01 -4.82 120.40 106.87 1wxx s VAL 141 Ca 0.06 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1wxx s VAL 141 Cb 0.13 -2.62 -0.19 0.00 0.56 0.00 0.00 36.38 34.27 1wxx s VAL 141 CO 0.70 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 175.36 1wxx n GLN 142 N -0.68 0.67 -3.91 4.82 6.02 0.88 -4.86 117.38 120.32 1wxx n GLN 142 Ca -0.02 0.17 -0.09 0.00 -0.01 0.00 0.00 57.00 57.04 1wxx n GLN 142 Cb 0.66 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 30.30 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 -6.59 0.04 -0.03 1.08 1.04 -1.18 -4.49 113.70 103.58 1wxx s SER 143 Ca -0.33 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1wxx s SER 143 Cb 0.09 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1wxx s SER 143 CO 0.63 -0.84 0.01 -0.69 0.98 0.00 0.00 173.24 173.33 1wxx s VAL 144 N -3.92 0.11 -0.13 5.02 1.01 0.08 -1.50 120.40 121.07 1wxx s VAL 144 Ca 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1wxx s VAL 144 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1wxx s VAL 144 CO -0.04 0.13 -0.09 -0.22 0.00 0.00 0.00 175.10 174.88 1wxx s LEU 145 N 1.09 2.97 -0.63 3.92 2.96 0.28 0.10 118.68 129.37 1wxx s LEU 145 Ca -0.09 -0.20 -0.18 0.00 -0.22 0.00 0.00 54.13 53.43 1wxx s LEU 145 Cb -0.13 -1.68 0.12 0.00 0.50 0.00 0.00 46.19 44.99 1wxx s LEU 145 CO -0.02 0.21 0.73 0.00 -1.32 0.00 0.00 176.35 175.94 1wxx s ALA 146 N 0.13 3.47 -1.15 5.97 0.00 0.68 0.03 121.76 130.89 1wxx s ALA 146 Ca -0.04 -2.36 -0.11 0.00 0.00 0.00 0.00 51.96 49.44 1wxx s ALA 146 Cb -0.14 -3.55 0.23 0.00 0.00 0.00 0.00 23.12 19.65 1wxx s ALA 146 CO 0.04 -2.37 1.26 0.21 0.00 0.00 0.00 175.76 174.89 1wxx s LYS 147 N 2.45 4.14 -0.67 0.00 2.20 0.21 -1.58 119.74 126.49 1wxx s LYS 147 Ca 0.13 -2.90 0.02 0.00 -0.36 0.00 0.00 55.97 52.86 1wxx s LYS 147 Cb -0.22 -4.79 0.37 0.00 -1.51 0.00 0.00 37.83 31.68 1wxx s LYS 147 CO 0.04 -1.49 1.51 0.09 -0.36 0.00 0.00 175.35 175.14 1wxx n ASN 148 N 4.12 6.02 -0.92 1.43 3.02 -0.09 -4.41 115.26 124.43 1wxx n ASN 148 Ca 0.30 -3.76 0.07 0.00 -0.03 0.00 0.00 54.58 51.16 1wxx n ASN 148 Cb 0.41 -0.78 0.23 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.43 3.52 -4.68 6.41 3.85 -1.17 -1.14 116.55 122.92 1wxx n ASP 149 Ca 0.44 -2.27 -0.42 0.00 -0.71 0.00 0.00 54.79 51.83 1wxx n ASP 149 Cb 0.42 -0.38 -0.03 0.00 -1.35 0.00 0.00 41.12 39.79 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 -1.49 3.58 0.38 2.12 0.00 -1.26 -4.88 121.76 120.20 1wxx s ALA 150 Ca 0.34 0.84 0.19 0.00 0.00 0.00 0.00 51.96 53.33 1wxx s ALA 150 Cb 0.21 -3.60 1.17 0.00 0.00 0.00 0.00 23.12 20.90 1wxx s ALA 150 CO 0.18 -0.95 1.67 0.00 0.00 0.00 0.00 175.76 176.66 1wxx h ARG 151 N 7.93 0.27 -1.07 0.00 3.08 -2.00 -0.21 114.38 122.38 1wxx h ARG 151 Ca -0.37 -0.02 0.29 0.00 0.07 0.00 0.00 59.98 59.95 1wxx h ARG 151 Cb 1.17 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 31.07 1wxx h ARG 151 CO 0.91 0.18 0.71 1.79 -1.07 0.00 0.00 179.97 182.49 1wxx h THR 152 N 0.28 0.48 -0.14 2.04 1.35 -1.96 0.17 112.91 115.14 1wxx h THR 152 Ca 0.73 -0.10 0.04 0.00 -0.55 0.00 0.00 66.41 66.53 1wxx h THR 152 Cb 1.86 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1wxx h THR 152 CO -0.50 0.05 0.13 0.03 -0.25 0.00 0.00 175.52 174.98 1wxx h ARG 153 N 0.29 0.00 -0.14 4.72 3.08 -1.30 -2.97 114.38 118.06 1wxx h ARG 153 Ca 0.59 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.65 1wxx h ARG 153 Cb 1.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 1wxx h ARG 153 CO -0.24 0.00 0.08 0.93 -1.07 0.00 0.00 179.97 179.67 1wxx h GLU 154 N 0.00 0.16 0.00 0.04 5.08 -0.97 -0.43 114.58 118.46 1wxx h GLU 154 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1wxx h GLU 154 Cb 0.32 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1wxx h GLU 154 CO -0.00 0.11 0.00 -0.11 -1.00 0.00 0.00 179.01 178.01 1wxx n LEU 155 N -5.01 0.00 -0.73 1.33 7.94 -1.12 -1.51 117.00 117.89 1wxx n LEU 155 Ca -0.04 0.19 0.13 0.00 -1.11 0.00 0.00 56.01 55.17 1wxx n LEU 155 Cb 0.04 -0.19 0.30 0.00 0.53 0.00 0.00 43.42 44.10 1wxx n LEU 155 CO 0.33 -0.05 0.74 -0.62 -1.11 0.00 0.00 177.39 176.68 1wxx n GLU 156 N -1.19 2.01 -2.74 1.96 -0.58 -0.78 -4.83 120.64 114.49 1wxx n GLU 156 Ca 0.13 -1.47 -0.06 0.00 -0.42 0.00 0.00 57.16 55.34 1wxx n GLU 156 Cb 0.15 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.27 0.58 3.05 0.62 0.00 -0.57 -4.50 105.19 105.64 1wxx n GLY 157 Ca 0.16 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.49 1.83 0.76 0.99 1.43 -0.24 -5.03 118.68 115.92 1wxx s LEU 158 Ca 0.14 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1wxx s LEU 158 Cb -0.06 -0.71 0.05 0.00 0.03 0.00 0.00 46.19 45.50 1wxx s LEU 158 CO 0.17 0.10 1.08 -2.16 0.23 0.00 0.00 176.35 175.77 1wxx s PRO 159 N 0.14 2.40 -0.16 1.29 0.04 -1.26 -3.41 135.00 134.03 1wxx s PRO 159 Ca -0.03 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 1wxx s PRO 159 Cb -0.10 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1wxx s PRO 159 CO 0.01 -1.51 0.13 -0.51 0.04 0.00 0.00 177.00 175.15 1wxx s LEU 160 N -5.82 4.24 -0.06 -3.56 1.43 -1.26 -4.89 118.68 108.76 1wxx s LEU 160 Ca 0.60 0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 53.71 1wxx s LEU 160 Cb -0.16 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.11 1wxx s LEU 160 CO 0.56 0.28 1.07 -0.72 0.23 0.00 0.00 176.35 177.77 1wxx s TYR 161 N -0.26 -0.20 -0.17 0.29 -0.85 -0.29 -4.93 117.35 110.94 1wxx s TYR 161 Ca 0.11 0.09 -0.02 0.00 -0.52 0.00 0.00 57.07 56.72 1wxx s TYR 161 Cb -0.12 0.54 0.05 0.00 0.38 0.00 0.00 41.96 42.82 1wxx s TYR 161 CO 0.01 -0.41 0.03 0.08 -1.52 0.00 0.00 175.55 173.74 1wxx s VAL 162 N -2.78 0.51 0.04 -3.49 1.01 -1.26 -0.91 120.40 113.52 1wxx s VAL 162 Ca 0.09 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 1wxx s VAL 162 Cb -0.00 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.50 1wxx s VAL 162 CO -0.05 -0.09 0.53 0.00 0.00 0.00 0.00 175.10 175.48 1wxx s ARG 163 N 1.88 1.03 0.51 2.72 1.70 -0.61 -5.00 118.95 121.18 1wxx s ARG 163 Ca 0.00 -0.19 -0.23 0.00 -0.47 0.00 0.00 55.73 54.85 1wxx s ARG 163 Cb -0.16 0.47 -0.06 0.00 -0.57 0.00 0.00 34.95 34.63 1wxx s ARG 163 CO -0.07 -0.37 1.36 -2.14 -1.08 0.00 0.00 175.30 172.99 1wxx s PRO 164 N -2.32 3.39 -0.06 3.89 0.02 -1.26 -0.23 135.00 138.43 1wxx s PRO 164 Ca -0.06 2.24 0.08 0.00 0.02 0.00 0.00 61.00 63.27 1wxx s PRO 164 Cb -0.01 -2.40 -0.11 0.00 0.02 0.00 0.00 34.50 32.00 1wxx s PRO 164 CO -0.01 -0.99 0.08 1.28 -0.33 0.00 0.00 177.00 177.03 1wxx n LEU 165 N -0.69 0.00 -3.68 -5.54 4.77 0.11 -4.75 117.00 107.22 1wxx n LEU 165 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1wxx n LEU 165 Cb 0.44 0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 1wxx n LEU 165 CO 0.54 0.14 0.19 -0.22 -1.33 0.00 0.00 177.39 176.71 1wxx s LEU 166 N -4.30 -0.28 0.00 2.23 0.20 -1.00 -4.93 118.68 110.60 1wxx s LEU 166 Ca -0.04 1.11 0.00 0.00 0.69 0.00 0.00 54.13 55.90 1wxx s LEU 166 Cb 0.03 1.79 0.00 0.00 -0.43 0.00 0.00 46.19 47.58 1wxx s LEU 166 CO 0.34 -0.20 0.00 0.61 -0.29 0.00 0.00 176.35 176.81 1wxx n GLY 167 N 3.70 -0.28 3.56 7.98 0.00 -1.26 -0.74 105.19 118.15 1wxx n GLY 167 Ca -0.19 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 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 3.74 -0.23 1.61 2.56 -1.26 -4.81 118.70 120.30 1wxx s GLU 168 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 54.97 54.32 1wxx s GLU 168 Cb 0.00 -3.73 -0.01 0.00 2.00 0.00 0.00 34.13 32.38 1wxx s GLU 168 CO 0.00 -0.33 0.74 0.08 -0.56 0.00 0.00 175.26 175.19 1wxx s VAL 169 N 1.80 4.91 0.63 3.70 1.01 -1.26 -4.73 120.40 126.46 1wxx s VAL 169 Ca 0.08 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 1wxx s VAL 169 Cb -0.17 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1wxx s VAL 169 CO 0.11 -0.00 1.04 -2.16 0.00 0.00 0.00 175.10 174.08 1wxx s PRO 170 N 2.52 3.50 0.06 2.72 0.04 -1.26 -5.00 135.00 137.58 1wxx s PRO 170 Ca 0.32 0.76 -0.15 0.00 0.04 0.00 0.00 61.00 61.97 1wxx s PRO 170 Cb -0.16 -2.07 -0.25 0.00 0.04 0.00 0.00 34.50 32.07 1wxx s PRO 170 CO 0.09 -0.64 1.15 0.93 0.04 0.00 0.00 177.00 178.56 1wxx h GLU 171 N -0.37 0.64 -5.66 4.56 5.08 -1.95 -3.42 114.58 113.45 1wxx h GLU 171 Ca -0.44 -0.73 -0.47 0.00 -1.00 0.00 0.00 59.36 56.73 1wxx h GLU 171 Cb 1.19 0.22 -0.21 0.00 0.50 0.00 0.00 28.75 30.45 1wxx h GLU 171 CO 0.61 1.31 -0.79 1.03 -1.00 0.00 0.00 179.01 180.17 1wxx s ARG 172 N -3.21 0.98 -0.04 2.33 1.81 -1.26 -0.70 118.95 118.86 1wxx s ARG 172 Ca -0.10 -1.09 -0.02 0.00 -1.72 0.00 0.00 55.73 52.80 1wxx s ARG 172 Cb 0.06 -1.05 0.03 0.00 -0.45 0.00 0.00 34.95 33.54 1wxx s ARG 172 CO 0.91 0.23 0.09 0.08 -0.68 0.00 0.00 175.30 175.94 1wxx s VAL 173 N -1.42 -0.05 -0.13 3.52 1.01 -0.52 -4.97 120.40 117.85 1wxx s VAL 173 Ca 0.03 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 1wxx s VAL 173 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1wxx s VAL 173 CO 0.03 0.08 0.70 -1.10 0.00 0.00 0.00 175.10 174.80 1wxx s GLN 174 N 1.06 4.34 -0.09 2.72 -0.21 -1.26 -0.67 119.66 125.55 1wxx s GLN 174 Ca -0.08 0.81 0.01 0.00 0.02 0.00 0.00 55.36 56.12 1wxx s GLN 174 Cb -0.11 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.36 1wxx s GLN 174 CO -0.04 -0.10 -0.11 0.08 -2.12 0.00 0.00 175.29 173.00 1wxx s VAL 175 N 1.38 3.26 -0.10 1.09 1.01 0.05 -4.75 120.40 122.34 1wxx s VAL 175 Ca 0.35 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1wxx s VAL 175 Cb -0.17 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1wxx s VAL 175 CO 0.14 0.56 0.44 -1.58 0.00 0.00 0.00 175.10 174.66 1wxx s GLN 176 N -0.29 4.26 -0.33 2.72 2.00 0.32 -1.29 119.66 127.06 1wxx s GLN 176 Ca 0.03 0.39 -0.01 0.00 -2.00 0.00 0.00 55.36 53.76 1wxx s GLN 176 Cb -0.13 -3.40 0.13 0.00 0.80 0.00 0.00 33.01 30.41 1wxx s GLN 176 CO 0.03 0.27 0.18 -2.00 -0.50 0.00 0.00 175.29 173.26 1wxx s GLU 177 N 0.29 0.42 7.68 1.67 2.12 0.75 -4.08 118.70 127.55 1wxx s GLU 177 Ca 0.24 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.53 1wxx s GLU 177 Cb -0.15 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 32.98 1wxx s GLU 177 CO 0.10 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 174.09 1wxx n GLY 178 N 4.49 3.11 0.40 -1.50 0.00 -1.26 -2.35 105.19 108.09 1wxx n GLY 178 Ca 0.05 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 13.31 1.54 -4.34 1.61 1.74 -1.26 -4.91 116.66 124.35 1wxx n ARG 179 Ca 0.00 -0.80 -0.17 0.00 -0.77 0.00 0.00 57.85 56.10 1wxx n ARG 179 Cb 0.00 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 29.91 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 -1.91 0.80 0.13 1.55 -7.23 -0.99 -5.12 120.40 107.63 1wxx s VAL 180 Ca 0.35 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 1wxx s VAL 180 Cb 0.19 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1wxx s VAL 180 CO 0.29 -0.11 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.70 1wxx s ARG 181 N -3.96 1.06 0.05 4.82 0.52 -1.26 -0.18 118.95 120.00 1wxx s ARG 181 Ca 0.34 -1.28 -0.04 0.00 -0.52 0.00 0.00 55.73 54.23 1wxx s ARG 181 Cb 0.07 -0.94 -0.02 0.00 0.52 0.00 0.00 34.95 34.59 1wxx s ARG 181 CO 0.12 0.18 0.06 1.52 0.02 0.00 0.00 175.30 177.20 1wxx s TYR 182 N -2.24 0.29 -0.30 -0.53 -0.85 -0.41 -4.78 117.35 108.53 1wxx s TYR 182 Ca 0.11 -0.67 -0.10 0.00 -0.52 0.00 0.00 57.07 55.88 1wxx s TYR 182 Cb -0.04 -0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.07 1wxx s TYR 182 CO 0.03 -0.38 0.17 -1.17 -1.52 0.00 0.00 175.55 172.68 1wxx s LEU 183 N -2.37 4.07 0.13 -3.49 2.96 -1.26 -0.77 118.68 117.95 1wxx s LEU 183 Ca -0.01 -0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 53.42 1wxx s LEU 183 Cb 0.01 -2.05 -0.07 0.00 0.50 0.00 0.00 46.19 44.59 1wxx s LEU 183 CO -0.07 -0.14 0.54 -0.69 -1.32 0.00 0.00 176.35 174.67 1wxx s VAL 184 N 1.67 4.86 -0.31 1.68 1.01 0.16 -4.87 120.40 124.61 1wxx s VAL 184 Ca 0.06 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 1wxx s VAL 184 Cb -0.17 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1wxx s VAL 184 CO 0.08 0.28 0.03 -0.62 0.00 0.00 0.00 175.10 174.87 1wxx s ASP 185 N -1.65 4.99 0.00 3.32 -1.08 -0.84 -1.43 116.67 119.97 1wxx s ASP 185 Ca 0.36 -1.29 0.31 0.00 -0.52 0.00 0.00 52.55 51.41 1wxx s ASP 185 Cb -0.15 -1.75 1.59 0.00 -1.46 0.00 0.00 42.92 41.15 1wxx s ASP 185 CO 0.19 -0.29 2.05 0.18 0.52 0.00 0.00 175.17 177.82 1wxx n LEU 186 N 4.65 0.55 -4.74 -1.34 4.77 0.13 -3.84 117.00 117.18 1wxx n LEU 186 Ca -0.12 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.27 1wxx n LEU 186 Cb 0.43 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1wxx n LEU 186 CO 0.28 0.09 0.92 -0.13 -1.33 0.00 0.00 177.39 177.21 1wxx s ARG 187 N -2.01 4.46 0.23 3.23 0.52 -1.24 -4.94 118.95 119.20 1wxx s ARG 187 Ca 0.44 1.97 -0.13 0.00 -0.52 0.00 0.00 55.73 57.49 1wxx s ARG 187 Cb 0.22 -3.20 0.30 0.00 0.52 0.00 0.00 34.95 32.78 1wxx s ARG 187 CO 0.36 -0.12 1.60 0.00 0.02 0.00 0.00 175.30 177.16 1wxx h ALA 188 N 4.91 0.43 -0.03 2.13 0.00 -1.97 -1.80 119.26 122.92 1wxx h ALA 188 Ca -0.45 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wxx h ALA 188 Cb 1.22 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1wxx h ALA 188 CO 0.73 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1wxx n GLY 189 N -1.50 -0.43 3.78 0.00 0.00 -1.26 -4.89 105.19 100.89 1wxx n GLY 189 Ca 0.10 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.96 2.83 0.01 1.61 -1.52 -0.68 -5.07 119.66 114.87 1wxx s GLN 190 Ca 0.39 -0.96 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 1wxx s GLN 190 Cb 0.19 -2.57 -0.05 0.00 -0.22 0.00 0.00 33.01 30.36 1wxx s GLN 190 CO 0.31 0.46 1.31 0.15 -0.25 0.00 0.00 175.29 177.27 1wxx s LYS 191 N -3.29 4.33 0.16 2.91 1.02 -1.26 -4.77 119.74 118.84 1wxx s LYS 191 Ca 0.31 1.86 -0.16 0.00 0.02 0.00 0.00 55.97 58.00 1wxx s LYS 191 Cb -0.09 -3.50 0.06 0.00 -0.52 0.00 0.00 37.83 33.78 1wxx s LYS 191 CO 0.23 -0.47 1.76 1.15 -0.92 0.00 0.00 175.35 177.10 1wxx h THR 192 N 4.81 0.94 -2.88 2.17 2.02 -1.90 -3.35 112.91 114.72 1wxx h THR 192 Ca -0.38 -0.11 -0.26 0.00 0.77 0.00 0.00 66.41 66.43 1wxx h THR 192 Cb 1.18 0.57 0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1wxx h THR 192 CO 0.88 0.06 -0.38 0.61 0.37 0.00 0.00 175.52 177.06 1wxx n GLY 193 N -1.22 -0.10 0.19 2.16 0.00 -1.26 -1.99 105.19 102.97 1wxx n GLY 193 Ca 0.01 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.75 1.51 -3.88 4.61 0.00 -1.26 -4.81 120.51 113.92 1wxx n ALA 194 Ca -0.08 -0.94 -0.36 0.00 0.00 0.00 0.00 53.44 52.06 1wxx n ALA 194 Cb 0.58 0.09 0.02 0.00 0.00 0.00 0.00 19.45 20.15 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 -3.58 -1.66 0.28 0.00 4.02 -1.26 -4.86 117.16 110.09 1wxx n TYR 195 Ca -0.42 0.36 0.12 0.00 -0.01 0.00 0.00 57.90 57.95 1wxx n TYR 195 Cb 0.87 -3.22 0.79 0.00 -0.02 0.00 0.00 39.34 37.76 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 -2.14 0.00 -1.76 7.72 3.38 -1.95 -2.58 115.31 117.98 1wxx h LEU 196 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 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 0.52 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.81 1wxx h ASP 197 N 0.00 0.00 -0.18 -0.43 3.04 -1.98 -0.72 116.42 116.15 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 0.01 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.30 1wxx h ASP 197 CO -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 1wxx n GLN 198 N -2.56 2.13 -0.15 4.15 1.13 -0.97 -4.34 117.38 116.77 1wxx n GLN 198 Ca -0.01 -1.95 -0.09 0.00 -1.94 0.00 0.00 57.00 53.02 1wxx n GLN 198 Cb 0.10 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 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 4.08 -0.27 -0.02 -1.09 2.43 -1.23 0.10 114.38 118.38 1wxx h ARG 199 Ca 0.00 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1wxx h ARG 199 Cb 0.89 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1wxx h ARG 199 CO 0.00 -0.18 -0.44 0.93 -1.51 0.00 0.00 179.97 178.78 1wxx h GLU 200 N -0.28 0.04 -0.02 0.20 4.39 -1.84 -1.90 114.58 115.17 1wxx h GLU 200 Ca 0.16 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.69 1wxx h GLU 200 Cb 0.57 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1wxx h GLU 200 CO -0.60 0.47 -0.68 -0.91 -1.16 0.00 0.00 179.01 176.13 1wxx h ASN 201 N 0.03 0.12 -0.27 1.42 2.35 -1.63 -1.45 115.58 116.15 1wxx h ASN 201 Ca -0.00 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 1wxx h ASN 201 Cb 0.78 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 1wxx h ASN 201 CO 0.06 0.76 -0.35 0.03 -1.65 0.00 0.00 177.43 176.28 1wxx h ARG 202 N 0.07 0.71 -0.36 0.81 3.08 -0.55 -3.04 114.38 115.10 1wxx h ARG 202 Ca -0.01 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.58 1wxx h ARG 202 Cb 1.20 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1wxx h ARG 202 CO 0.10 1.02 0.02 -0.07 -1.07 0.00 0.00 179.97 179.97 1wxx h LEU 203 N 0.44 0.52 -4.35 3.04 3.38 -1.23 -3.34 115.31 113.78 1wxx h LEU 203 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wxx h LEU 203 Cb 0.93 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1wxx h LEU 203 CO 0.08 0.58 0.16 0.00 0.09 0.00 0.00 178.44 179.35 1wxx n TYR 204 N -4.29 0.00 0.00 1.13 9.36 -0.56 -4.48 117.16 118.33 1wxx n TYR 204 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1wxx n TYR 204 Cb 0.24 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 38.65 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 2.31 0.00 0.00 2.98 1.02 -1.26 -4.60 120.64 121.09 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 -1.36 0.61 0.00 -0.02 0.00 0.00 31.44 30.67 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 -0.55 0.11 -3.94 3.49 1.85 -1.26 -4.84 116.66 111.52 1wxx n ARG 207 Ca 0.00 -0.01 -0.34 0.00 -1.00 0.00 0.00 57.85 56.50 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 -2.89 3.51 0.06 2.89 0.08 -1.26 -5.11 117.98 115.25 1wxx s PHE 208 Ca 0.17 0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.59 1wxx s PHE 208 Cb 0.19 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1wxx s PHE 208 CO 0.53 0.64 -0.07 1.03 -0.10 0.00 0.00 175.22 177.25 1wxx s ARG 209 N -1.79 0.61 0.00 0.44 0.52 -1.26 -4.49 118.95 112.98 1wxx s ARG 209 Ca 0.25 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1wxx s ARG 209 Cb -0.12 -0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.12 1wxx s ARG 209 CO 0.16 0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.91 1wxx n GLY 210 N 0.97 -1.37 0.05 -3.53 0.00 -0.75 -4.97 105.19 95.59 1wxx n GLY 210 Ca -0.19 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 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 -5.95 1.61 4.57 -1.94 -2.85 114.58 110.03 1wxx h GLU 211 Ca 0.00 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.53 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 -0.87 1.03 -1.18 0.00 0.00 179.01 177.99 1wxx s ARG 212 N -1.78 2.20 0.04 1.92 0.52 -1.26 -0.92 118.95 119.67 1wxx s ARG 212 Ca -0.07 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.37 1wxx s ARG 212 Cb 0.01 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.52 1wxx s ARG 212 CO 0.10 0.39 -0.15 0.00 0.02 0.00 0.00 175.30 175.66 1wxx s ALA 213 N -0.23 1.24 -0.12 2.13 0.00 0.59 -0.48 121.76 124.90 1wxx s ALA 213 Ca -0.00 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1wxx s ALA 213 Cb -0.12 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1wxx s ALA 213 CO 0.02 0.25 -0.22 -1.17 0.00 0.00 0.00 175.76 174.63 1wxx s LEU 214 N -1.10 2.07 -0.48 0.00 2.96 0.15 -0.94 118.68 121.35 1wxx s LEU 214 Ca 0.02 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 1wxx s LEU 214 Cb -0.08 -1.40 0.13 0.00 0.50 0.00 0.00 46.19 45.34 1wxx s LEU 214 CO 0.01 0.11 0.29 -0.62 -1.32 0.00 0.00 176.35 174.82 1wxx s ASP 215 N 0.64 5.32 0.04 3.68 2.15 0.68 -0.70 116.67 128.48 1wxx s ASP 215 Ca -0.12 -2.25 -0.23 0.00 0.43 0.00 0.00 52.55 50.38 1wxx s ASP 215 Cb -0.16 -1.86 -0.06 0.00 -0.30 0.00 0.00 42.92 40.54 1wxx s ASP 215 CO 0.02 -0.52 0.71 -0.69 -0.17 0.00 0.00 175.17 174.52 1wxx s VAL 216 N 0.83 4.76 -0.93 1.11 1.01 -0.01 -0.88 120.40 126.29 1wxx s VAL 216 Ca 0.10 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.58 1wxx s VAL 216 Cb -0.22 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1wxx s VAL 216 CO -0.04 0.40 0.78 0.49 0.00 0.00 0.00 175.10 176.73 1wxx n PHE 217 N 2.65 -1.75 -0.07 5.22 3.01 -0.57 -2.91 117.46 123.04 1wxx n PHE 217 Ca -0.04 0.72 0.07 0.00 1.01 0.00 0.00 57.45 59.21 1wxx n PHE 217 Cb 0.50 -4.29 0.44 0.00 -0.01 0.00 0.00 39.48 36.12 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 -1.54 0.48 0.00 4.37 0.87 -1.12 -3.42 113.55 113.17 1wxx h SER 218 Ca -0.44 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1wxx h SER 218 Cb 1.26 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1wxx h SER 218 CO 0.39 0.32 0.00 0.00 -0.53 0.00 0.00 176.83 177.00 1wxx n TYR 219 N -4.47 0.00 0.39 2.24 9.36 -1.26 -0.72 117.16 122.69 1wxx n TYR 219 Ca 0.07 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.32 1wxx n TYR 219 Cb 0.20 0.00 0.18 0.00 -0.63 0.00 0.00 39.34 39.10 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 8.72 1.72 -0.57 2.98 0.00 -1.26 -4.42 120.51 127.69 1wxx n ALA 220 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1wxx n ALA 220 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.62 0.69 0.37 0.00 0.00 0.11 -3.05 105.19 102.70 1wxx n GLY 221 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.60 1.01 -0.02 0.00 -1.86 -1.07 103.07 100.53 1wxx h GLY 222 Ca 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 1wxx h GLY 222 CO 0.00 -0.23 0.49 0.74 0.00 0.00 0.00 176.54 177.54 1wxx h PHE 223 N -0.46 1.02 -0.81 5.60 0.04 -1.94 -2.68 116.94 117.71 1wxx h PHE 223 Ca 0.08 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.92 1wxx h PHE 223 Cb 0.60 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 1wxx h PHE 223 CO -0.45 0.67 0.53 0.00 -0.60 0.00 0.00 178.31 178.46 1wxx h ALA 224 N 1.26 1.61 -0.43 2.45 0.00 -1.75 -1.72 119.26 120.69 1wxx h ALA 224 Ca 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wxx h ALA 224 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1wxx h ALA 224 CO -0.06 0.26 0.26 -0.07 0.00 0.00 0.00 179.25 179.64 1wxx h LEU 225 N 0.88 0.52 -0.70 0.00 3.38 -0.86 -0.25 115.31 118.29 1wxx h LEU 225 Ca 0.35 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 1wxx h LEU 225 Cb 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wxx h LEU 225 CO -0.12 0.43 -0.51 0.45 0.09 0.00 0.00 178.44 178.78 1wxx h HIS 226 N 0.57 0.45 -0.10 1.13 3.86 -1.47 -3.02 115.15 116.57 1wxx h HIS 226 Ca 0.16 -0.15 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1wxx h HIS 226 Cb 0.00 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1wxx h HIS 226 CO -0.03 0.80 -0.53 -0.07 0.86 0.00 0.00 177.93 178.95 1wxx h LEU 227 N 0.29 0.31 -2.49 2.43 3.38 -1.06 -2.92 115.31 115.24 1wxx h LEU 227 Ca 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1wxx h LEU 227 Cb 0.99 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1wxx h LEU 227 CO 0.09 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1wxx h ALA 228 N 1.23 1.00 0.00 1.53 0.00 -0.91 0.45 119.26 122.55 1wxx h ALA 228 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1wxx h ALA 228 Cb 1.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1wxx h ALA 228 CO 0.08 0.00 -0.59 -0.07 0.00 0.00 0.00 179.25 178.67 1wxx h LEU 229 N 0.00 0.00 -0.24 0.00 3.38 -1.58 -3.35 115.31 113.51 1wxx h LEU 229 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wxx h LEU 229 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1wxx h LEU 229 CO 0.00 0.59 -0.03 0.61 0.09 0.00 0.00 178.44 179.70 1wxx n GLY 230 N 0.49 0.37 3.49 0.83 0.00 -0.55 -5.03 105.19 104.79 1wxx n GLY 230 Ca -0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.85 2.65 0.15 1.61 0.40 0.04 -1.80 117.98 120.18 1wxx s PHE 231 Ca 0.01 -0.20 -0.11 0.00 -0.60 0.00 0.00 56.93 56.03 1wxx s PHE 231 Cb 0.01 -1.51 -0.00 0.00 0.51 0.00 0.00 43.02 42.02 1wxx s PHE 231 CO 0.03 0.27 1.54 0.00 0.70 0.00 0.00 175.22 177.76 1wxx h ARG 232 N 4.60 0.95 -4.25 0.44 2.47 -1.08 -3.43 114.38 114.08 1wxx h ARG 232 Ca -0.48 -0.40 -0.48 0.00 -1.26 0.00 0.00 59.98 57.36 1wxx h ARG 232 Cb 1.16 -0.03 -0.35 0.00 -1.65 0.00 0.00 29.97 29.10 1wxx h ARG 232 CO 0.49 1.07 -0.80 -2.00 0.56 0.00 0.00 179.97 179.30 1wxx s GLU 233 N -4.69 1.31 -0.13 0.04 2.12 -0.09 -4.79 118.70 112.46 1wxx s GLU 233 Ca -0.12 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 54.97 1wxx s GLU 233 Cb 0.12 -1.23 0.02 0.00 0.26 0.00 0.00 34.13 33.30 1wxx s GLU 233 CO 0.86 -0.09 -0.13 0.08 -0.54 0.00 0.00 175.26 175.44 1wxx s VAL 234 N 1.05 1.43 -0.32 3.70 1.01 -0.78 -0.30 120.40 126.19 1wxx s VAL 234 Ca -0.08 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1wxx s VAL 234 Cb -0.14 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1wxx s VAL 234 CO -0.01 0.43 0.16 -0.69 0.00 0.00 0.00 175.10 175.00 1wxx s VAL 235 N 1.46 4.58 -0.34 2.92 1.01 -0.11 -1.34 120.40 128.58 1wxx s VAL 235 Ca 0.03 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 1wxx s VAL 235 Cb -0.13 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1wxx s VAL 235 CO -0.09 0.00 0.40 0.00 0.00 0.00 0.00 175.10 175.42 1wxx s ALA 236 N 1.60 3.49 -0.05 5.51 0.00 -0.46 -0.23 121.76 131.61 1wxx s ALA 236 Ca 0.04 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1wxx s ALA 236 Cb -0.17 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 1wxx s ALA 236 CO 0.06 -1.10 -0.08 0.08 0.00 0.00 0.00 175.76 174.72 1wxx s VAL 237 N 2.11 3.58 -0.13 0.00 1.01 -0.06 -0.12 120.40 126.80 1wxx s VAL 237 Ca 0.14 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1wxx s VAL 237 Cb -0.16 -2.47 0.13 0.00 0.00 0.00 0.00 36.38 33.87 1wxx s VAL 237 CO 0.12 0.56 1.02 -0.62 0.00 0.00 0.00 175.10 176.18 1wxx s ASP 238 N -0.91 -0.32 0.00 3.32 -1.08 -0.96 -0.96 116.67 115.76 1wxx s ASP 238 Ca 0.13 0.23 0.26 0.00 -0.52 0.00 0.00 52.55 52.65 1wxx s ASP 238 Cb -0.11 0.29 0.74 0.00 -1.46 0.00 0.00 42.92 42.38 1wxx s ASP 238 CO 0.02 -0.38 1.57 -1.54 0.52 0.00 0.00 175.17 175.36 1wxx n SER 239 N 0.37 0.58 -4.50 -0.34 3.41 -1.19 -1.83 113.62 110.11 1wxx n SER 239 Ca -0.08 -0.37 -0.43 0.00 -0.26 0.00 0.00 58.87 57.73 1wxx n SER 239 Cb 0.59 0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.81 6.23 0.27 4.04 0.15 -1.26 -4.86 113.70 115.47 1wxx s SER 240 Ca 0.17 -0.53 -0.02 0.00 0.70 0.00 0.00 55.95 56.27 1wxx s SER 240 Cb 0.18 -2.25 0.36 0.00 -1.71 0.00 0.00 66.02 62.60 1wxx s SER 240 CO 0.61 -0.61 1.78 0.00 1.20 0.00 0.00 173.24 176.21 1wxx h ALA 241 N 8.74 1.14 -0.63 5.45 0.00 -1.99 -1.76 119.26 130.21 1wxx h ALA 241 Ca -0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1wxx h ALA 241 Cb 1.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1wxx h ALA 241 CO 0.81 0.56 0.25 1.49 0.00 0.00 0.00 179.25 182.37 1wxx h GLU 242 N 0.76 0.94 -0.42 0.00 4.81 -2.00 -1.98 114.58 116.70 1wxx h GLU 242 Ca 0.16 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1wxx h GLU 242 Cb 0.40 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1wxx h GLU 242 CO 0.01 0.79 -0.07 0.00 -0.73 0.00 0.00 179.01 179.02 1wxx h ALA 243 N 1.10 1.10 0.00 2.92 0.00 -1.81 -2.63 119.26 119.94 1wxx h ALA 243 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1wxx h ALA 243 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wxx h ALA 243 CO -0.02 0.56 -0.27 -0.07 0.00 0.00 0.00 179.25 179.45 1wxx h LEU 244 N 0.66 0.00 -0.41 0.00 3.38 -0.95 -2.32 115.31 115.66 1wxx h LEU 244 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1wxx h LEU 244 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1wxx h LEU 244 CO 0.03 0.27 -0.14 0.03 0.09 0.00 0.00 178.44 178.72 1wxx h ARG 245 N 0.00 0.82 -0.74 1.13 3.08 -0.99 -0.44 114.38 117.24 1wxx h ARG 245 Ca -0.00 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 1wxx h ARG 245 Cb 0.79 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1wxx h ARG 245 CO 0.04 0.96 0.30 -0.09 -1.07 0.00 0.00 179.97 180.11 1wxx h ARG 246 N 0.64 1.11 -0.49 0.04 9.65 -1.39 -0.51 114.38 123.43 1wxx h ARG 246 Ca 0.10 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1wxx h ARG 246 Cb 0.68 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 1wxx h ARG 246 CO 0.05 0.90 0.32 0.00 2.80 0.00 0.00 179.97 184.04 1wxx h ALA 247 N 1.15 0.62 -0.70 2.80 0.00 -1.09 0.50 119.26 122.54 1wxx h ALA 247 Ca 0.25 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1wxx h ALA 247 Cb 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1wxx h ALA 247 CO -0.02 0.08 0.20 0.93 0.00 0.00 0.00 179.25 180.44 1wxx h GLU 248 N 0.66 1.11 -0.53 0.00 5.08 -0.70 -1.25 114.58 118.95 1wxx h GLU 248 Ca 0.18 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1wxx h GLU 248 Cb -0.06 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1wxx h GLU 248 CO -0.04 0.96 0.10 0.93 -1.00 0.00 0.00 179.01 179.97 1wxx h GLU 249 N 1.04 0.86 -0.32 2.33 5.08 -0.62 -1.56 114.58 121.41 1wxx h GLU 249 Ca 0.22 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1wxx h GLU 249 Cb 0.33 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1wxx h GLU 249 CO -0.00 0.84 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.70 1wxx h ASN 250 N 0.75 0.62 -0.63 1.42 2.35 -0.72 -1.31 115.58 118.07 1wxx h ASN 250 Ca 0.16 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1wxx h ASN 250 Cb 0.38 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1wxx h ASN 250 CO 0.01 0.84 0.05 0.00 -1.65 0.00 0.00 177.43 176.68 1wxx h ALA 251 N 1.20 0.88 -0.62 -0.83 0.00 -1.01 -2.73 119.26 116.15 1wxx h ALA 251 Ca 0.08 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1wxx h ALA 251 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1wxx h ALA 251 CO 0.05 0.67 0.02 -0.09 0.00 0.00 0.00 179.25 179.90 1wxx h ARG 252 N 1.00 1.09 -0.55 0.00 2.43 -1.03 0.61 114.38 117.93 1wxx h ARG 252 Ca 0.19 -0.33 0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1wxx h ARG 252 Cb 0.50 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1wxx h ARG 252 CO 0.02 1.04 0.37 1.25 -1.51 0.00 0.00 179.97 181.14 1wxx h LEU 253 N 0.99 0.33 -1.31 3.80 5.85 -0.96 -0.71 115.31 123.30 1wxx h LEU 253 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1wxx h LEU 253 Cb 0.54 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1wxx h LEU 253 CO 0.03 0.20 -0.13 0.59 -0.34 0.00 0.00 178.44 178.79 1wxx n ASN 254 N -4.47 2.17 -1.41 1.25 3.02 -0.96 -4.95 115.26 109.90 1wxx n ASN 254 Ca 0.08 -1.63 -0.14 0.00 -0.03 0.00 0.00 54.58 52.87 1wxx n ASN 254 Cb 0.35 0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.61 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 1.32 0.26 3.39 7.41 0.00 -0.28 -4.94 105.19 112.36 1wxx n GLY 255 Ca 0.14 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.70 5.81 0.00 0.99 1.43 0.10 -4.84 118.68 118.47 1wxx s LEU 256 Ca 0.00 -3.20 0.23 0.00 -1.03 0.00 0.00 54.13 50.13 1wxx s LEU 256 Cb 0.00 -2.29 1.06 0.00 0.03 0.00 0.00 46.19 44.99 1wxx s LEU 256 CO 0.00 -0.53 1.73 0.61 0.23 0.00 0.00 176.35 178.39 1wxx n GLY 257 N 3.51 -1.14 0.16 -3.19 0.00 -1.26 -3.27 105.19 100.00 1wxx n GLY 257 Ca 0.28 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.38 0.47 -4.55 1.61 6.94 -1.26 -4.71 115.26 112.37 1wxx n ASN 258 Ca 0.08 -1.91 -0.36 0.00 -0.02 0.00 0.00 54.58 52.38 1wxx n ASN 258 Cb 0.22 -0.05 -0.11 0.00 -2.36 0.00 0.00 39.78 37.47 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 -1.89 4.68 -0.09 3.53 1.01 -1.20 -1.86 120.40 124.57 1wxx s VAL 259 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1wxx s VAL 259 Cb 0.05 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1wxx s VAL 259 CO 0.07 0.38 -0.18 0.00 0.00 0.00 0.00 175.10 175.37 1wxx s ARG 260 N 1.08 2.43 0.38 2.72 1.70 -0.45 -5.00 118.95 121.81 1wxx s ARG 260 Ca 0.05 -0.66 -0.11 0.00 -0.47 0.00 0.00 55.73 54.54 1wxx s ARG 260 Cb -0.14 -1.93 -0.07 0.00 -0.57 0.00 0.00 34.95 32.24 1wxx s ARG 260 CO 0.03 0.06 0.75 0.14 -1.08 0.00 0.00 175.30 175.21 1wxx s VAL 261 N 0.62 4.79 -0.15 4.99 -7.23 -1.26 -1.36 120.40 120.80 1wxx s VAL 261 Ca -0.14 0.63 -0.04 0.00 -1.81 0.00 0.00 61.98 60.63 1wxx s VAL 261 Cb -0.16 -3.71 0.07 0.00 0.56 0.00 0.00 36.38 33.13 1wxx s VAL 261 CO 0.04 -0.46 0.17 -0.22 -0.31 0.00 0.00 175.10 174.33 1wxx s LEU 262 N -3.69 -0.02 -0.53 1.32 2.96 0.83 -4.88 118.68 114.67 1wxx s LEU 262 Ca 0.51 -0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 54.11 1wxx s LEU 262 Cb -0.10 0.23 0.03 0.00 0.50 0.00 0.00 46.19 46.85 1wxx s LEU 262 CO 0.29 -0.29 1.05 -0.70 -1.32 0.00 0.00 176.35 175.37 1wxx s GLU 263 N 2.28 3.49 0.28 1.98 2.12 -1.26 -2.27 118.70 125.33 1wxx s GLU 263 Ca 0.04 0.12 -0.21 0.00 0.36 0.00 0.00 54.97 55.29 1wxx s GLU 263 Cb -0.14 -3.99 0.02 0.00 0.26 0.00 0.00 34.13 30.28 1wxx s GLU 263 CO -0.09 -1.47 0.72 0.00 -0.54 0.00 0.00 175.26 173.88 1wxx s ALA 264 N 4.30 -1.20 -0.37 6.30 0.00 -0.76 -4.96 121.76 125.07 1wxx s ALA 264 Ca 0.39 -0.32 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 1wxx s ALA 264 Cb -0.09 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1wxx s ALA 264 CO 0.25 -1.04 0.80 1.21 0.00 0.00 0.00 175.76 176.98 1wxx s ASN 265 N -2.92 6.56 0.20 0.00 3.84 -1.26 -3.14 114.94 118.22 1wxx s ASN 265 Ca 0.11 0.36 -0.20 0.00 0.21 0.00 0.00 52.86 53.34 1wxx s ASN 265 Cb -0.06 -2.40 0.15 0.00 -0.55 0.00 0.00 41.25 38.39 1wxx s ASN 265 CO 0.07 -0.75 1.57 0.00 -2.79 0.00 0.00 177.10 175.20 1wxx h ALA 266 N 8.50 -0.01 -0.18 1.71 0.00 -1.95 0.94 119.26 128.27 1wxx h ALA 266 Ca -0.25 0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1wxx h ALA 266 Cb 1.09 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 1wxx h ALA 266 CO 0.92 -0.68 -0.15 0.74 0.00 0.00 0.00 179.25 180.08 1wxx h PHE 267 N -0.10 -0.36 -0.11 0.00 0.04 -2.01 -1.01 116.94 113.39 1wxx h PHE 267 Ca 0.27 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1wxx h PHE 267 Cb 0.57 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 1wxx h PHE 267 CO -0.75 -0.21 0.06 -0.44 -0.60 0.00 0.00 178.31 176.36 1wxx h ASP 268 N -0.15 0.09 -0.25 2.17 3.45 -1.71 -3.02 116.42 116.99 1wxx h ASP 268 Ca 0.11 0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.62 1wxx h ASP 268 Cb 0.32 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 39.03 1wxx h ASP 268 CO -0.27 0.07 -0.03 0.25 -1.57 0.00 0.00 179.24 177.69 1wxx h LEU 269 N 0.12 -0.17 -0.39 1.55 5.85 -0.45 -1.13 115.31 120.69 1wxx h LEU 269 Ca 0.04 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1wxx h LEU 269 Cb -0.00 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1wxx h LEU 269 CO -0.02 -0.05 0.03 -0.07 -0.34 0.00 0.00 178.44 177.99 1wxx h LEU 270 N 0.04 -0.09 0.06 2.25 3.38 -1.14 0.26 115.31 120.06 1wxx h LEU 270 Ca 0.12 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wxx h LEU 270 Cb 0.17 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1wxx h LEU 270 CO -0.23 -0.01 -0.04 -0.09 0.09 0.00 0.00 178.44 178.16 1wxx h ARG 271 N 0.14 -0.10 0.15 1.13 9.65 -1.38 -2.40 114.38 121.57 1wxx h ARG 271 Ca 0.19 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.09 1wxx h ARG 271 Cb 0.25 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 1wxx h ARG 271 CO -0.29 -0.07 -0.42 -0.09 2.80 0.00 0.00 179.97 181.90 1wxx h ARG 272 N -0.10 -0.65 -0.91 0.20 2.43 -0.52 -2.17 114.38 112.65 1wxx h ARG 272 Ca -0.00 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 1wxx h ARG 272 Cb 0.09 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 1wxx h ARG 272 CO 0.00 -0.44 0.54 -0.07 -1.51 0.00 0.00 179.97 178.49 1wxx h LEU 273 N -0.68 0.77 -0.21 3.80 3.38 -0.46 -1.90 115.31 120.02 1wxx h LEU 273 Ca 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1wxx h LEU 273 Cb 0.69 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1wxx h LEU 273 CO -0.23 0.42 0.05 -0.08 0.09 0.00 0.00 178.44 178.69 1wxx h GLU 274 N 0.87 0.35 -0.44 1.13 4.22 -1.19 -0.98 114.58 118.53 1wxx h GLU 274 Ca 0.45 -0.09 0.01 0.00 0.08 0.00 0.00 59.36 59.81 1wxx h GLU 274 Cb 0.45 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1wxx h GLU 274 CO -0.27 0.48 0.29 0.87 -2.18 0.00 0.00 179.01 178.20 1wxx h LYS 275 N 0.16 0.56 0.00 1.92 1.57 -0.92 0.40 116.57 120.26 1wxx h LYS 275 Ca 0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wxx h LYS 275 Cb 0.29 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1wxx h LYS 275 CO 0.00 0.37 0.00 0.39 -0.57 0.00 0.00 179.45 179.64 1wxx n GLU 276 N -4.47 0.88 -1.01 3.15 1.02 -0.76 -4.88 120.64 114.57 1wxx n GLU 276 Ca 0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1wxx n GLU 276 Cb 0.07 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1wxx n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wxx n GLY 277 N 0.86 0.45 3.75 0.62 0.00 0.13 -5.02 105.19 105.97 1wxx n GLY 277 Ca 0.21 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.27 4.65 0.06 1.61 2.02 -0.39 -5.02 118.70 120.36 1wxx s GLU 278 Ca 0.00 1.72 0.05 0.00 0.02 0.00 0.00 54.97 56.76 1wxx s GLU 278 Cb 0.00 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 1wxx s GLU 278 CO 0.00 0.20 -0.14 1.03 0.02 0.00 0.00 175.26 176.37 1wxx s ARG 279 N -0.95 0.86 0.19 1.61 1.81 -1.26 -4.56 118.95 116.65 1wxx s ARG 279 Ca 0.46 -0.85 0.05 0.00 -1.72 0.00 0.00 55.73 53.67 1wxx s ARG 279 Cb -0.30 -0.86 -0.05 0.00 -0.45 0.00 0.00 34.95 33.29 1wxx s ARG 279 CO 0.37 0.20 -0.09 -0.06 -0.68 0.00 0.00 175.30 175.04 1wxx s PHE 280 N -1.07 1.52 -0.74 -0.53 0.40 0.07 -4.91 117.98 112.73 1wxx s PHE 280 Ca -0.01 -0.74 0.23 0.00 -0.60 0.00 0.00 56.93 55.82 1wxx s PHE 280 Cb -0.09 -0.79 0.11 0.00 0.51 0.00 0.00 43.02 42.76 1wxx s PHE 280 CO 0.02 0.15 1.09 -0.25 0.70 0.00 0.00 175.22 176.93 1wxx n ASP 281 N -0.33 0.64 -3.63 1.36 9.92 0.37 -3.04 116.55 121.84 1wxx n ASP 281 Ca -0.08 -0.31 -0.13 0.00 -0.53 0.00 0.00 54.79 53.74 1wxx n ASP 281 Cb 0.61 0.71 -0.07 0.00 -0.64 0.00 0.00 41.12 41.73 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 -3.63 -0.78 -0.04 0.64 0.20 -1.12 -0.60 118.68 113.34 1wxx s LEU 282 Ca 0.06 1.45 0.02 0.00 0.69 0.00 0.00 54.13 56.34 1wxx s LEU 282 Cb 0.15 2.44 0.02 0.00 -0.43 0.00 0.00 46.19 48.37 1wxx s LEU 282 CO 0.79 -0.25 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.85 1wxx s VAL 283 N 0.62 0.68 -0.13 1.68 1.01 -0.47 -0.67 120.40 123.11 1wxx s VAL 283 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1wxx s VAL 283 Cb -0.05 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1wxx s VAL 283 CO -0.03 0.24 -0.15 -0.69 0.00 0.00 0.00 175.10 174.48 1wxx s VAL 284 N 0.68 2.85 -0.28 2.92 1.01 0.12 -1.04 120.40 126.66 1wxx s VAL 284 Ca -0.10 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1wxx s VAL 284 Cb -0.13 -2.19 0.06 0.00 0.00 0.00 0.00 36.38 34.12 1wxx s VAL 284 CO 0.01 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 174.81 1wxx s LEU 285 N 0.48 3.68 -0.50 3.92 1.43 0.86 -0.83 118.68 127.72 1wxx s LEU 285 Ca -0.10 -1.43 0.08 0.00 -1.03 0.00 0.00 54.13 51.65 1wxx s LEU 285 Cb -0.16 -1.60 0.33 0.00 0.03 0.00 0.00 46.19 44.79 1wxx s LEU 285 CO 0.05 -0.23 0.83 -0.67 0.23 0.00 0.00 176.35 176.56 1wxx n ASP 286 N 4.47 2.90 -4.73 2.29 2.03 -1.15 -1.01 116.55 121.35 1wxx n ASP 286 Ca -0.12 -3.37 -0.32 0.00 0.52 0.00 0.00 54.79 51.49 1wxx n ASP 286 Cb 0.42 -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 -2.89 2.07 0.85 -0.67 0.04 -1.26 -4.78 135.00 128.36 1wxx s PRO 287 Ca 0.44 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1wxx s PRO 287 Cb 0.29 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 33.07 1wxx s PRO 287 CO -0.11 -1.83 1.10 -1.25 0.04 0.00 0.00 177.00 174.95 1wxx s PRO 288 N -4.36 1.64 -0.20 0.56 0.04 -1.26 -4.51 135.00 126.91 1wxx s PRO 288 Ca 0.68 0.71 -0.34 0.00 0.04 0.00 0.00 61.00 62.08 1wxx s PRO 288 Cb -0.23 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 1wxx s PRO 288 CO 0.50 -1.95 2.00 0.00 0.04 0.00 0.00 177.00 177.59 1wxx n ALA 289 N -3.67 0.92 0.14 8.56 0.00 -1.26 -4.84 120.51 120.37 1wxx n ALA 289 Ca 0.07 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.69 1wxx n ALA 289 Cb 0.56 -2.53 0.04 0.00 0.00 0.00 0.00 19.45 17.52 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 10.63 0.00 -3.63 0.00 0.05 -1.95 -3.43 116.94 118.62 1wxx h PHE 290 Ca -0.41 0.00 -0.67 0.00 3.82 0.00 0.00 57.97 60.71 1wxx h PHE 290 Cb 1.29 0.00 -0.35 0.00 2.00 0.00 0.00 35.95 38.89 1wxx h PHE 290 CO 0.90 0.39 -0.78 0.00 -0.18 0.00 0.00 178.31 178.63 1wxx s ALA 291 N -3.02 2.59 -0.13 2.45 0.00 -1.26 -4.70 121.76 117.70 1wxx s ALA 291 Ca 0.04 -1.60 0.19 0.00 0.00 0.00 0.00 51.96 50.59 1wxx s ALA 291 Cb 0.07 -1.59 -0.25 0.00 0.00 0.00 0.00 23.12 21.35 1wxx s ALA 291 CO 0.74 -0.97 0.39 1.63 0.00 0.00 0.00 175.76 177.55 1wxx n LYS 292 N 4.55 0.66 -4.25 0.00 5.02 -1.26 -4.61 118.16 118.27 1wxx n LYS 292 Ca -0.16 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 55.98 1wxx n LYS 292 Cb 0.45 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 1wxx n LYS 292 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1wxx s GLY 293 N -5.02 1.08 0.61 0.72 0.00 -1.26 -4.99 107.32 98.45 1wxx s GLY 293 Ca -0.08 -1.48 0.36 0.00 0.00 0.00 0.00 44.72 43.53 1wxx s GLY 293 CO 0.85 -1.57 2.25 1.70 0.00 0.00 0.00 173.10 176.33 1wxx h LYS 294 N 2.85 0.00 -0.00 2.90 3.64 -1.96 -0.84 116.57 123.16 1wxx h LYS 294 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1wxx h LYS 294 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1wxx h LYS 294 CO 0.62 0.02 -0.07 1.63 -2.27 0.00 0.00 179.45 179.38 1wxx n LYS 295 N -3.42 0.21 0.00 1.90 5.02 -1.26 -3.21 118.16 117.40 1wxx n LYS 295 Ca -0.02 -0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.35 1wxx n LYS 295 Cb 0.12 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.37 1.23 -0.07 4.39 8.00 -0.32 -4.55 116.55 123.86 1wxx n ASP 296 Ca 0.10 -0.99 -0.07 0.00 0.71 0.00 0.00 54.79 54.54 1wxx n ASP 296 Cb 0.30 0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 41.85 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 1.09 0.58 -0.53 2.53 2.07 -1.60 0.52 116.25 120.90 1wxx h VAL 297 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1wxx h VAL 297 Cb 0.58 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1wxx h VAL 297 CO 0.00 0.00 0.28 -0.33 0.02 0.00 0.00 177.57 177.54 1wxx h GLU 298 N -0.09 0.53 -0.27 1.57 5.08 -1.84 0.16 114.58 119.72 1wxx h GLU 298 Ca 0.15 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 1wxx h GLU 298 Cb 0.32 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1wxx h GLU 298 CO -0.35 0.35 -0.48 -0.09 -1.00 0.00 0.00 179.01 177.44 1wxx h ARG 299 N 0.55 0.73 -0.44 2.33 2.43 -1.80 -2.99 114.38 115.18 1wxx h ARG 299 Ca 0.23 -0.42 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 1wxx h ARG 299 Cb 0.12 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1wxx h ARG 299 CO -0.15 1.04 -0.00 0.00 -1.51 0.00 0.00 179.97 179.35 1wxx h ALA 300 N 0.89 0.59 -0.88 2.80 0.00 -0.48 -2.13 119.26 120.06 1wxx h ALA 300 Ca 0.03 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.78 1wxx h ALA 300 Cb 1.04 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1wxx h ALA 300 CO 0.10 0.39 0.51 -0.92 0.00 0.00 0.00 179.25 179.33 1wxx h TYR 301 N 0.62 0.91 -0.59 0.00 3.20 -0.66 0.18 116.97 120.64 1wxx h TYR 301 Ca 0.12 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1wxx h TYR 301 Cb 0.50 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1wxx h TYR 301 CO 0.04 0.34 0.08 -0.09 -1.64 0.00 0.00 178.16 176.89 1wxx h ARG 302 N 0.81 0.99 -0.32 1.82 2.43 -1.35 -1.31 114.38 117.46 1wxx h ARG 302 Ca 0.44 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1wxx h ARG 302 Cb 0.45 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1wxx h ARG 302 CO -0.27 0.95 0.05 0.00 -1.51 0.00 0.00 179.97 179.18 1wxx h ALA 303 N 1.01 0.42 -0.32 2.80 0.00 -0.40 -2.00 119.26 120.76 1wxx h ALA 303 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wxx h ALA 303 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1wxx h ALA 303 CO 0.02 0.12 0.16 1.88 0.00 0.00 0.00 179.25 181.43 1wxx h TYR 304 N 0.35 0.45 -0.93 0.00 0.05 -0.63 -2.36 116.97 113.90 1wxx h TYR 304 Ca 0.10 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.89 1wxx h TYR 304 Cb 0.36 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 1wxx h TYR 304 CO 0.02 0.38 0.61 -0.22 -1.05 0.00 0.00 178.16 177.91 1wxx h LYS 305 N 0.39 1.15 -0.33 4.88 3.64 -1.15 -1.09 116.57 124.06 1wxx h LYS 305 Ca 0.11 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1wxx h LYS 305 Cb 0.09 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1wxx h LYS 305 CO -0.02 0.76 0.03 1.49 -2.27 0.00 0.00 179.45 179.44 1wxx h GLU 306 N 1.19 0.57 -0.27 1.90 4.57 -1.16 0.60 114.58 121.99 1wxx h GLU 306 Ca 0.37 -0.17 -0.12 0.00 -1.18 0.00 0.00 59.36 58.26 1wxx h GLU 306 Cb -0.01 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1wxx h GLU 306 CO -0.12 0.68 -0.33 -0.24 -1.18 0.00 0.00 179.01 177.82 1wxx h VAL 307 N 0.39 1.29 -0.31 0.32 3.04 -1.17 -1.64 116.25 118.17 1wxx h VAL 307 Ca 0.10 -1.45 -0.17 0.00 -1.01 0.00 0.00 66.70 64.17 1wxx h VAL 307 Cb 0.40 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1wxx h VAL 307 CO 0.01 0.46 -0.47 0.78 -1.01 0.00 0.00 177.57 177.35 1wxx h ASN 308 N 0.49 0.91 -0.15 3.17 2.35 -1.11 -1.69 115.58 119.54 1wxx h ASN 308 Ca 0.06 -0.45 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1wxx h ASN 308 Cb 0.81 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1wxx h ASN 308 CO 0.07 1.23 0.10 0.25 -1.65 0.00 0.00 177.43 177.42 1wxx h LEU 309 N 0.66 0.18 -1.21 1.61 5.85 -0.69 -0.94 115.31 120.77 1wxx h LEU 309 Ca 0.04 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1wxx h LEU 309 Cb 1.05 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1wxx h LEU 309 CO 0.10 0.16 0.23 0.03 -0.34 0.00 0.00 178.44 178.62 1wxx h ARG 310 N 0.18 0.78 -0.21 1.25 3.08 -1.23 -2.08 114.38 116.15 1wxx h ARG 310 Ca 0.06 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1wxx h ARG 310 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1wxx h ARG 310 CO -0.01 0.63 -0.08 0.00 -1.07 0.00 0.00 179.97 179.45 1wxx h ALA 311 N 1.48 0.29 -0.59 0.04 0.00 -0.99 -3.05 119.26 116.44 1wxx h ALA 311 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1wxx h ALA 311 Cb 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1wxx h ALA 311 CO -0.02 0.10 0.31 0.82 0.00 0.00 0.00 179.25 180.46 1wxx h ILE 312 N 0.12 1.18 0.00 0.00 2.04 -0.94 -1.70 117.51 118.22 1wxx h ILE 312 Ca 0.05 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1wxx h ILE 312 Cb 0.55 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1wxx h ILE 312 CO 0.03 0.21 0.00 0.11 0.00 0.00 0.00 178.15 178.49 1wxx h LYS 313 N 0.82 0.00 0.00 2.37 1.57 -1.29 -2.20 116.57 117.84 1wxx h LYS 313 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1wxx h LYS 313 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1wxx h LYS 313 CO -0.03 0.00 -0.42 1.28 -0.57 0.00 0.00 179.45 179.71 1wxx n LEU 314 N -3.08 0.57 -4.78 2.94 4.77 -0.65 -4.89 117.00 111.88 1wxx n LEU 314 Ca -0.01 0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.84 1wxx n LEU 314 Cb 0.23 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1wxx n LEU 314 CO 0.25 -0.02 0.41 -0.76 -1.33 0.00 0.00 177.39 175.94 1wxx s LEU 315 N -3.77 4.52 0.58 2.23 1.43 -0.83 -0.75 118.68 122.10 1wxx s LEU 315 Ca 0.09 1.45 0.04 0.00 -1.03 0.00 0.00 54.13 54.68 1wxx s LEU 315 Cb 0.15 -3.14 0.07 0.00 0.03 0.00 0.00 46.19 43.30 1wxx s LEU 315 CO 0.67 0.17 0.81 -1.59 0.23 0.00 0.00 176.35 176.64 1wxx s LYS 316 N -0.76 2.28 0.27 1.70 -2.85 -1.17 -4.92 119.74 114.28 1wxx s LYS 316 Ca 0.34 -1.16 -0.30 0.00 -1.00 0.00 0.00 55.97 53.85 1wxx s LYS 316 Cb -0.21 -2.53 -0.13 0.00 -2.06 0.00 0.00 37.83 32.91 1wxx s LYS 316 CO 0.23 -0.89 1.41 -1.91 0.10 0.00 0.00 175.35 174.28 1wxx n GLU 317 N -2.38 2.16 -0.58 1.78 2.13 -1.26 -0.13 120.64 122.36 1wxx n GLU 317 Ca 0.12 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.71 1wxx n GLU 317 Cb 0.60 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1wxx n GLU 317 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wxx n GLY 318 N 1.82 1.32 3.75 8.31 0.00 0.11 -5.01 105.19 115.50 1wxx n GLY 318 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.86 2.53 -0.12 -0.02 0.00 0.82 -4.65 107.32 104.02 1wxx s GLY 319 Ca 0.00 0.86 -0.02 0.00 0.00 0.00 0.00 44.72 45.57 1wxx s GLY 319 CO 0.00 1.25 -0.06 -0.42 0.00 0.00 0.00 173.10 173.86 1wxx s ILE 320 N -1.84 3.68 -0.21 0.90 -1.09 0.23 -0.42 121.20 122.45 1wxx s ILE 320 Ca 0.74 -0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 58.69 1wxx s ILE 320 Cb -0.27 -2.56 0.01 0.00 -1.58 0.00 0.00 42.46 38.05 1wxx s ILE 320 CO 0.36 0.53 -0.11 -0.22 -1.23 0.00 0.00 174.94 174.27 1wxx s LEU 321 N -0.02 2.58 -0.29 2.97 2.96 0.20 -1.36 118.68 125.72 1wxx s LEU 321 Ca -0.00 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1wxx s LEU 321 Cb -0.13 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.98 1wxx s LEU 321 CO 0.03 -0.02 -0.01 0.00 -1.32 0.00 0.00 176.35 175.03 1wxx s ALA 322 N 1.38 2.81 0.04 5.97 0.00 -0.20 -0.26 121.76 131.49 1wxx s ALA 322 Ca 0.05 -1.67 0.05 0.00 0.00 0.00 0.00 51.96 50.40 1wxx s ALA 322 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1wxx s ALA 322 CO -0.08 -1.14 -0.16 -0.08 0.00 0.00 0.00 175.76 174.31 1wxx s THR 323 N 1.29 1.24 0.19 0.00 -1.32 -0.05 -0.10 115.64 116.90 1wxx s THR 323 Ca -0.03 -1.04 -0.06 0.00 -1.21 0.00 0.00 61.69 59.35 1wxx s THR 323 Cb -0.19 -1.11 -0.02 0.00 -1.51 0.00 0.00 72.50 69.67 1wxx s THR 323 CO -0.01 0.06 0.25 0.00 -2.21 0.00 0.00 174.62 172.70 1wxx s ALA 324 N -0.83 0.48 -0.13 11.08 0.00 -0.18 -0.81 121.76 131.36 1wxx s ALA 324 Ca 0.03 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 50.65 1wxx s ALA 324 Cb -0.08 1.10 0.05 0.00 0.00 0.00 0.00 23.12 24.19 1wxx s ALA 324 CO 0.01 -0.66 0.33 0.45 0.00 0.00 0.00 175.76 175.90 1wxx s SER 325 N -3.06 -0.38 -0.15 0.00 0.15 -0.72 -4.46 113.70 105.08 1wxx s SER 325 Ca 0.27 0.70 0.16 0.00 0.70 0.00 0.00 55.95 57.78 1wxx s SER 325 Cb 0.04 0.62 0.48 0.00 -1.71 0.00 0.00 66.02 65.45 1wxx s SER 325 CO 0.07 -0.16 1.38 0.00 1.20 0.00 0.00 173.24 175.73 1wxx s SER 327 N -1.81 6.48 0.31 0.00 0.01 -1.19 -4.65 113.70 112.86 1wxx s SER 327 Ca 0.38 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1wxx s SER 327 Cb 0.30 -2.34 0.53 0.00 0.21 0.00 0.00 66.02 64.72 1wxx s SER 327 CO 0.10 -0.54 1.96 -0.74 0.41 0.00 0.00 173.24 174.42 1wxx h HIS 328 N 8.30 0.98 0.00 2.43 2.76 -1.82 -3.40 115.15 124.40 1wxx h HIS 328 Ca -0.26 0.02 -0.54 0.00 -2.20 0.00 0.00 60.37 57.39 1wxx h HIS 328 Cb 1.11 -0.33 0.05 0.00 1.55 0.00 0.00 27.41 29.80 1wxx h HIS 328 CO 0.76 0.57 2.20 0.72 -1.30 0.00 0.00 177.93 180.88 1wxx n HIS 329 N -4.44 1.43 -3.43 5.26 8.25 -1.26 -4.85 115.22 116.18 1wxx n HIS 329 Ca 0.10 -1.62 -0.12 0.00 -0.26 0.00 0.00 57.72 55.82 1wxx n HIS 329 Cb 0.10 -1.52 -0.02 0.00 1.12 0.00 0.00 29.99 29.67 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 4.84 0.00 0.25 1.59 -4.23 -1.26 -4.96 115.64 111.87 1wxx s THR 331 Ca 0.51 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.98 1wxx s THR 331 Cb 0.13 -1.00 0.24 0.00 1.34 0.00 0.00 72.50 73.21 1wxx s THR 331 CO 0.10 0.00 1.86 -0.08 -0.54 0.00 0.00 174.62 175.96 1wxx h GLU 332 N 2.05 1.02 -0.31 3.99 4.81 -1.94 0.46 114.58 124.66 1wxx h GLU 332 Ca -0.34 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1wxx h GLU 332 Cb 1.30 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1wxx h GLU 332 CO 0.38 0.68 0.19 -1.35 -0.73 0.00 0.00 179.01 178.18 1wxx h PRO 333 N 1.05 0.42 -0.68 0.92 0.11 -2.00 -1.59 132.00 130.23 1wxx h PRO 333 Ca 0.40 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.43 1wxx h PRO 333 Cb 0.18 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 1wxx h PRO 333 CO -0.18 0.32 0.23 -0.07 -0.21 0.00 0.00 178.00 178.09 1wxx h LEU 334 N 0.40 0.97 0.15 2.35 3.38 -1.84 -1.67 115.31 119.07 1wxx h LEU 334 Ca 0.11 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wxx h LEU 334 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1wxx h LEU 334 CO -0.02 0.91 -0.21 0.15 0.09 0.00 0.00 178.44 179.36 1wxx h PHE 335 N 0.98 -0.56 0.00 1.13 3.57 -0.60 -2.64 116.94 118.83 1wxx h PHE 335 Ca 0.22 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 1wxx h PHE 335 Cb 0.27 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1wxx h PHE 335 CO 0.02 -0.31 -0.32 1.88 -2.23 0.00 0.00 178.31 177.35 1wxx h TYR 336 N -0.42 0.00 0.00 0.41 0.05 -1.23 -2.05 116.97 113.72 1wxx h TYR 336 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1wxx h TYR 336 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 1wxx h TYR 336 CO -0.18 0.32 0.00 0.00 -1.05 0.00 0.00 178.16 177.25 1wxx n ALA 337 N -2.37 1.96 0.00 3.88 0.00 -0.63 -2.27 120.51 121.08 1wxx n ALA 337 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1wxx n ALA 337 Cb 0.41 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.60 0.00 -0.26 0.00 0.31 -0.77 -1.55 118.33 116.66 1wxx n VAL 339 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1wxx n VAL 339 Cb 0.23 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.21 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 0.92 -0.67 3.52 0.00 -1.73 0.58 119.26 121.88 1wxx h ALA 340 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1wxx h ALA 340 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1wxx h ALA 340 CO 0.00 0.43 0.32 0.93 0.00 0.00 0.00 179.25 180.93 1wxx h GLU 341 N 0.99 0.97 -0.36 0.00 5.08 -1.56 -0.63 114.58 119.07 1wxx h GLU 341 Ca 0.25 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1wxx h GLU 341 Cb 0.03 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1wxx h GLU 341 CO -0.04 0.77 0.11 0.00 -1.00 0.00 0.00 179.01 178.85 1wxx h ALA 342 N 1.15 0.47 -0.41 3.43 0.00 -1.69 -0.72 119.26 121.49 1wxx h ALA 342 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1wxx h ALA 342 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1wxx h ALA 342 CO -0.03 0.11 0.23 0.00 0.00 0.00 0.00 179.25 179.56 1wxx h ALA 343 N 0.95 0.52 -0.42 0.00 0.00 -0.65 -0.57 119.26 119.10 1wxx h ALA 343 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wxx h ALA 343 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1wxx h ALA 343 CO -0.00 0.04 0.24 1.96 0.00 0.00 0.00 179.25 181.48 1wxx h GLN 344 N 0.53 0.59 0.00 0.00 4.20 -0.99 -1.69 115.11 117.74 1wxx h GLN 344 Ca 0.14 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1wxx h GLN 344 Cb 0.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1wxx h GLN 344 CO -0.02 0.46 -0.20 -0.44 -0.67 0.00 0.00 178.83 177.96 1wxx h ASP 345 N 0.55 0.00 0.31 1.46 5.19 -0.87 -1.87 116.42 121.20 1wxx h ASP 345 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1wxx h ASP 345 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1wxx h ASP 345 CO -0.02 0.20 -0.19 0.00 -3.12 0.00 0.00 179.24 176.11 1wxx n ALA 346 N -2.42 2.93 -3.62 3.45 0.00 -0.24 -4.94 120.51 115.67 1wxx n ALA 346 Ca -0.02 -0.33 -0.25 0.00 0.00 0.00 0.00 53.44 52.84 1wxx n ALA 346 Cb 0.28 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.82 -2.73 -4.99 0.00 8.25 -0.68 -4.96 115.22 109.28 1wxx n HIS 347 Ca 0.13 0.97 -0.29 0.00 -0.26 0.00 0.00 57.72 58.27 1wxx n HIS 347 Cb 0.31 -4.81 -0.17 0.00 1.12 0.00 0.00 29.99 26.45 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 -6.34 2.42 -0.16 -0.41 1.81 -0.91 -5.06 118.95 110.30 1wxx s ARG 348 Ca 0.59 -0.71 -0.26 0.00 -1.72 0.00 0.00 55.73 53.62 1wxx s ARG 348 Cb -0.27 -1.92 -0.01 0.00 -0.45 0.00 0.00 34.95 32.30 1wxx s ARG 348 CO 0.72 0.17 0.87 -1.17 -0.68 0.00 0.00 175.30 175.22 1wxx s LEU 349 N 0.32 4.19 -0.12 2.53 2.96 -1.26 -4.54 118.68 122.75 1wxx s LEU 349 Ca -0.14 1.25 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1wxx s LEU 349 Cb -0.16 -3.30 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 1wxx s LEU 349 CO 0.06 -0.41 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.76 1wxx s LEU 350 N 2.13 2.56 -0.06 -0.68 1.43 -1.26 -0.89 118.68 121.91 1wxx s LEU 350 Ca 0.40 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 1wxx s LEU 350 Cb -0.17 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 1wxx s LEU 350 CO 0.13 0.16 0.32 -0.60 0.23 0.00 0.00 176.35 176.60 1wxx s ARG 351 N 0.35 3.85 -0.32 1.70 3.52 0.08 -4.90 118.95 123.23 1wxx s ARG 351 Ca -0.13 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 55.40 1wxx s ARG 351 Cb -0.16 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1wxx s ARG 351 CO 0.07 0.64 1.09 0.08 -0.81 0.00 0.00 175.30 176.36 1wxx s VAL 352 N -0.80 4.48 -0.15 7.11 1.01 -1.26 -1.22 120.40 129.57 1wxx s VAL 352 Ca 0.20 1.70 -0.23 0.00 0.00 0.00 0.00 61.98 63.66 1wxx s VAL 352 Cb -0.15 -4.40 -0.24 0.00 0.00 0.00 0.00 36.38 31.59 1wxx s VAL 352 CO 0.09 -0.49 0.51 0.58 0.00 0.00 0.00 175.10 175.79 1wxx h VAL 353 N 5.75 1.26 -1.64 2.92 2.07 -1.24 -3.48 116.25 121.89 1wxx h VAL 353 Ca -0.21 -2.30 0.05 0.00 0.82 0.00 0.00 66.70 65.06 1wxx h VAL 353 Cb 1.06 2.77 -0.26 0.00 -1.52 0.00 0.00 31.29 33.35 1wxx h VAL 353 CO 1.04 0.52 0.42 -0.70 0.02 0.00 0.00 177.57 178.87 1wxx s GLU 354 N -2.35 0.54 -0.30 1.57 2.12 -0.93 -4.99 118.70 114.37 1wxx s GLU 354 Ca -0.23 0.62 -0.07 0.00 0.36 0.00 0.00 54.97 55.65 1wxx s GLU 354 Cb 0.02 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.68 1wxx s GLU 354 CO 0.68 -0.07 0.09 0.15 -0.54 0.00 0.00 175.26 175.57 1wxx s LYS 355 N 0.19 3.13 0.10 4.30 1.02 -1.26 -0.71 119.74 126.51 1wxx s LYS 355 Ca 0.03 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1wxx s LYS 355 Cb -0.05 -3.40 -0.00 0.00 -0.52 0.00 0.00 37.83 33.86 1wxx s LYS 355 CO -0.05 -0.44 0.01 0.54 -0.92 0.00 0.00 175.35 174.50 1wxx n ARG 356 N 4.88 1.38 0.00 1.68 1.74 0.21 -5.01 116.66 121.54 1wxx n ARG 356 Ca -0.14 -0.77 0.00 0.00 -0.77 0.00 0.00 57.85 56.17 1wxx n ARG 356 Cb 0.48 0.29 0.00 0.00 -1.02 0.00 0.00 32.46 32.21 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 2.88 2.06 3.78 -0.13 0.00 -1.26 -2.15 105.19 110.36 1wxx n GLY 357 Ca -0.03 0.14 -0.38 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 4.10 4.59 0.95 1.61 -0.21 -1.25 -4.78 119.66 124.66 1wxx s GLN 358 Ca 0.00 1.25 -0.13 0.00 0.02 0.00 0.00 55.36 56.49 1wxx s GLN 358 Cb 0.00 -3.05 0.16 0.00 1.00 0.00 0.00 33.01 31.13 1wxx s GLN 358 CO 0.00 0.43 1.15 -1.25 -2.12 0.00 0.00 175.29 173.50 1wxx s PRO 359 N -1.60 0.79 0.49 2.91 0.04 -1.26 -4.93 135.00 131.43 1wxx s PRO 359 Ca 0.43 0.19 0.18 0.00 0.04 0.00 0.00 61.00 61.84 1wxx s PRO 359 Cb -0.21 -1.81 1.20 0.00 0.04 0.00 0.00 34.50 33.72 1wxx s PRO 359 CO 0.26 -2.42 2.04 0.27 0.04 0.00 0.00 177.00 177.19 1wxx h PHE 360 N -1.66 0.18 -0.01 0.56 -0.00 -1.99 -2.07 116.94 111.96 1wxx h PHE 360 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.48 1wxx h PHE 360 Cb 1.32 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 37.21 1wxx h PHE 360 CO -0.12 0.09 0.00 -0.40 -0.00 0.00 0.00 178.31 177.89 1wxx n ASP 361 N -4.46 0.27 -3.12 -0.68 3.85 -1.26 -3.61 116.55 107.53 1wxx n ASP 361 Ca 0.06 -1.20 -0.24 0.00 -0.71 0.00 0.00 54.79 52.69 1wxx n ASP 361 Cb 0.35 -0.01 -0.05 0.00 -1.35 0.00 0.00 41.12 40.07 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 -0.74 2.45 -1.58 2.11 8.25 -0.78 -4.56 115.22 120.38 1wxx n HIS 362 Ca 0.20 -3.93 -0.43 0.00 -0.26 0.00 0.00 57.72 53.30 1wxx n HIS 362 Cb 0.14 -0.47 -0.00 0.00 1.12 0.00 0.00 29.99 30.78 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 0.27 1.26 -4.72 -0.41 -0.04 -1.24 -4.62 135.00 125.50 1wxx n PRO 363 Ca 0.28 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.85 1wxx n PRO 363 Cb 0.48 -1.87 -0.12 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.19 3.41 -0.18 0.52 1.01 -1.26 -4.50 120.40 118.22 1wxx s VAL 364 Ca 0.61 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1wxx s VAL 364 Cb -0.64 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1wxx s VAL 364 CO 0.59 0.58 -0.03 -0.76 0.00 0.00 0.00 175.10 175.48 1wxx s LEU 365 N -0.58 3.19 0.23 3.92 1.43 -1.26 -5.01 118.68 120.60 1wxx s LEU 365 Ca 0.08 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1wxx s LEU 365 Cb -0.12 -1.79 0.21 0.00 0.03 0.00 0.00 46.19 44.52 1wxx s LEU 365 CO 0.02 0.10 1.90 0.25 0.23 0.00 0.00 176.35 178.85 1wxx h LEU 366 N 7.19 1.01 0.00 1.79 5.85 -1.99 -2.64 115.31 126.52 1wxx h LEU 366 Ca -0.34 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1wxx h LEU 366 Cb 1.18 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1wxx h LEU 366 CO 0.61 0.74 0.00 0.59 -0.34 0.00 0.00 178.44 180.04 1wxx n ASN 367 N -4.47 0.00 -3.74 1.25 4.13 -1.26 -4.21 115.26 106.95 1wxx n ASN 367 Ca 0.10 0.44 -0.28 0.00 1.68 0.00 0.00 54.58 56.52 1wxx n ASN 367 Cb 0.01 -0.48 -0.12 0.00 -1.54 0.00 0.00 39.78 37.66 1wxx n ASN 367 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1wxx s HIS 368 N -2.96 2.75 0.38 3.10 2.46 -0.99 -4.01 115.29 116.02 1wxx s HIS 368 Ca 0.13 -2.99 0.21 0.00 0.47 0.00 0.00 55.06 52.88 1wxx s HIS 368 Cb 0.16 -2.15 1.26 0.00 -0.13 0.00 0.00 32.58 31.73 1wxx s HIS 368 CO 0.43 -0.65 1.63 -1.35 -2.47 0.00 0.00 174.74 172.34 1wxx h PRO 369 N 5.57 0.16 0.00 2.88 0.11 -1.73 -0.75 132.00 138.24 1wxx h PRO 369 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1wxx h PRO 369 Cb 0.81 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1wxx h PRO 369 CO 0.60 0.10 0.00 0.93 -0.21 0.00 0.00 178.00 179.43 1wxx h GLU 370 N 0.16 0.00 0.00 1.05 3.07 -1.94 -1.43 114.58 115.49 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 2.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.00 1wxx h GLU 370 CO -0.59 0.00 0.00 1.79 -1.40 0.00 0.00 179.01 178.81 1wxx h THR 371 N 0.00 0.00 -3.29 1.13 1.35 -1.43 -3.40 112.91 107.27 1wxx h THR 371 Ca 0.00 -0.46 -0.74 0.00 -0.55 0.00 0.00 66.41 64.66 1wxx h THR 371 Cb 0.07 1.37 -0.25 0.00 -1.73 0.00 0.00 68.15 67.61 1wxx h THR 371 CO 0.00 0.00 -0.34 -2.28 -0.25 0.00 0.00 175.52 172.65 1wxx s HIS 372 N -3.28 3.29 0.00 4.73 5.65 -0.54 -4.67 115.29 120.47 1wxx s HIS 372 Ca 0.06 -1.24 0.00 0.00 0.25 0.00 0.00 55.06 54.13 1wxx s HIS 372 Cb 0.10 -3.29 0.00 0.00 -1.18 0.00 0.00 32.58 28.21 1wxx s HIS 372 CO 0.53 -0.88 0.00 2.48 -0.65 0.00 0.00 174.74 176.22 1wxx n TYR 373 N 5.12 0.00 -3.87 3.88 0.18 -1.26 -4.65 117.16 116.56 1wxx n TYR 373 Ca -0.12 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.31 1wxx n TYR 373 Cb 0.42 0.00 -0.09 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 -3.10 3.94 -0.04 -3.48 2.96 -1.26 -3.18 118.68 114.52 1wxx s LEU 374 Ca 0.00 0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.08 1wxx s LEU 374 Cb 0.00 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 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 2.11 -0.10 1.98 3.01 -0.31 -3.93 119.74 123.04 1wxx s LYS 375 Ca 0.05 -0.81 -0.04 0.00 -1.01 0.00 0.00 55.97 54.17 1wxx s LYS 375 Cb -0.12 -1.88 0.05 0.00 -1.01 0.00 0.00 37.83 34.87 1wxx s LYS 375 CO 0.01 0.39 0.20 0.12 0.51 0.00 0.00 175.35 176.58 1wxx s PHE 376 N -0.26 -0.28 0.03 3.18 5.36 -0.92 -1.76 117.98 123.33 1wxx s PHE 376 Ca 0.01 0.76 0.04 0.00 -0.96 0.00 0.00 56.93 56.78 1wxx s PHE 376 Cb -0.11 -0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.38 1wxx s PHE 376 CO 0.02 -0.30 -0.12 0.00 -1.46 0.00 0.00 175.22 173.35 1wxx s ALA 377 N 2.31 1.01 -0.08 11.12 0.00 0.01 0.64 121.76 136.76 1wxx s ALA 377 Ca 0.02 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1wxx s ALA 377 Cb -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 1wxx s ALA 377 CO -0.07 0.19 -0.24 0.08 0.00 0.00 0.00 175.76 175.72 1wxx s VAL 378 N -0.73 2.09 0.15 0.00 1.01 0.11 -0.87 120.40 122.17 1wxx s VAL 378 Ca 0.01 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1wxx s VAL 378 Cb -0.07 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1wxx s VAL 378 CO 0.01 0.56 -0.11 -0.36 0.00 0.00 0.00 175.10 175.20 1wxx s PHE 379 N 0.13 1.31 -0.06 5.22 0.40 0.64 -0.69 117.98 124.92 1wxx s PHE 379 Ca -0.12 -0.71 0.04 0.00 -0.60 0.00 0.00 56.93 55.54 1wxx s PHE 379 Cb -0.16 -0.66 0.00 0.00 0.51 0.00 0.00 43.02 42.71 1wxx s PHE 379 CO 0.07 0.11 -0.18 -1.14 0.70 0.00 0.00 175.22 174.78 1wxx s GLN 380 N -3.53 2.09 0.01 0.44 0.74 -0.36 -0.63 119.66 118.42 1wxx s GLN 380 Ca 0.15 -0.63 -0.30 0.00 0.05 0.00 0.00 55.36 54.63 1wxx s GLN 380 Cb 0.01 -1.71 -0.04 0.00 1.10 0.00 0.00 33.01 32.36 1wxx s GLN 380 CO 0.01 0.17 1.15 0.08 -0.55 0.00 0.00 175.29 176.15 1wxx s VAL 381 N 0.29 4.30 -2.98 1.34 1.01 0.44 -0.74 120.40 124.06 1wxx s VAL 381 Ca -0.11 1.64 0.24 0.00 0.00 0.00 0.00 61.98 63.76 1wxx s VAL 381 Cb -0.14 -4.05 0.20 0.00 0.00 0.00 0.00 36.38 32.39 1wxx s VAL 381 CO 0.04 0.09 1.28 0.18 0.00 0.00 0.00 175.10 176.69