#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vlw h HIS 0 N 0.00 -1.25 -0.07 -1.40 -0.00 -1.97 -0.22 115.15 110.24 1vlw h HIS 0 Ca 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.27 1vlw h HIS 0 Cb 0.00 0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1vlw h HIS 0 CO 0.00 -0.77 -0.29 1.98 -0.00 0.00 0.00 177.93 178.85 1vlw h MET 1 N -1.36 0.13 0.28 5.26 4.05 -2.03 0.38 114.93 121.64 1vlw h MET 1 Ca -0.14 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1vlw h MET 1 Cb 1.03 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 1vlw h MET 1 CO 0.23 0.42 -0.23 -0.22 0.23 0.00 0.00 176.91 177.33 1vlw h LYS 2 N 0.12 -0.50 -0.64 0.39 1.63 -1.99 -2.29 116.57 113.29 1vlw h LYS 2 Ca 0.02 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1vlw h LYS 2 Cb 0.58 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.29 1vlw h LYS 2 CO 0.04 -0.33 0.26 1.98 -3.45 0.00 0.00 179.45 177.95 1vlw h MET 3 N -0.52 0.93 -0.33 1.90 1.85 0.32 -0.66 114.93 118.43 1vlw h MET 3 Ca -0.02 -0.15 -0.03 0.00 -0.61 0.00 0.00 59.70 58.90 1vlw h MET 3 Cb 0.46 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 1vlw h MET 3 CO -0.02 0.76 0.11 1.49 -0.40 0.00 0.00 176.91 178.84 1vlw h GLU 4 N 0.92 0.51 0.00 0.39 4.81 -0.31 -1.53 114.58 119.37 1vlw h GLU 4 Ca 0.22 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1vlw h GLU 4 Cb 0.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1vlw h GLU 4 CO -0.02 0.54 -0.32 0.93 -0.73 0.00 0.00 179.01 179.41 1vlw h GLU 5 N 0.38 0.00 -0.13 1.92 4.39 -1.11 -0.91 114.58 119.12 1vlw h GLU 5 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1vlw h GLU 5 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1vlw h GLU 5 CO -0.00 0.32 0.04 -0.07 -1.16 0.00 0.00 179.01 178.13 1vlw h LEU 6 N 0.00 0.19 -0.70 1.33 3.38 -0.67 -1.38 115.31 117.46 1vlw h LEU 6 Ca -0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1vlw h LEU 6 Cb 0.68 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1vlw h LEU 6 CO 0.04 0.35 0.27 -0.26 0.09 0.00 0.00 178.44 178.93 1vlw h PHE 7 N 0.01 1.07 -0.73 1.13 -1.00 -0.91 -1.09 116.94 115.43 1vlw h PHE 7 Ca 0.04 -0.09 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 1vlw h PHE 7 Cb 0.23 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 1vlw h PHE 7 CO 0.00 0.83 0.24 -0.22 -1.61 0.00 0.00 178.31 177.55 1vlw h LYS 8 N 1.00 1.11 -0.14 1.51 3.64 -1.15 0.19 116.57 122.73 1vlw h LYS 8 Ca 0.23 -0.23 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1vlw h LYS 8 Cb 0.22 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1vlw h LYS 8 CO -0.02 0.94 -0.62 -0.22 -2.27 0.00 0.00 179.45 177.27 1vlw h LYS 9 N 1.07 0.66 0.00 1.90 3.64 -1.02 -3.37 116.57 119.45 1vlw h LYS 9 Ca 0.24 -0.53 -0.20 0.00 -1.27 0.00 0.00 60.65 58.89 1vlw h LYS 9 Cb 0.28 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1vlw h LYS 9 CO -0.01 1.14 -2.17 0.72 -2.27 0.00 0.00 179.45 176.86 1vlw n HIS 10 N -4.10 0.05 0.00 1.91 8.25 -0.43 -4.99 115.22 115.91 1vlw n HIS 10 Ca -0.08 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1vlw n HIS 10 Cb 0.66 -0.79 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1vlw n HIS 10 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1vlw n LYS 11 N -2.55 0.00 -4.19 -0.41 5.02 0.65 -4.85 118.16 111.83 1vlw n LYS 11 Ca -0.19 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 1vlw n LYS 11 Cb 0.89 -1.51 -0.16 0.00 -0.02 0.00 0.00 35.03 34.23 1vlw n LYS 11 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1vlw s ILE 12 N -0.41 0.61 -0.16 -0.18 2.07 -1.26 -0.81 121.20 121.06 1vlw s ILE 12 Ca 0.00 -0.16 -0.06 0.00 -1.41 0.00 0.00 60.65 59.02 1vlw s ILE 12 Cb 0.00 -0.63 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 1vlw s ILE 12 CO 0.00 0.24 0.06 -0.69 -1.91 0.00 0.00 174.94 172.64 1vlw s VAL 13 N 0.94 4.76 -0.22 4.00 1.01 0.99 -4.16 120.40 127.71 1vlw s VAL 13 Ca -0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1vlw s VAL 13 Cb -0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1vlw s VAL 13 CO 0.00 0.50 0.60 0.00 0.00 0.00 0.00 175.10 176.20 1vlw s ALA 14 N 0.03 3.57 -0.56 5.51 0.00 0.16 -0.91 121.76 129.57 1vlw s ALA 14 Ca 0.05 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.44 1vlw s ALA 14 Cb -0.12 -2.96 0.09 0.00 0.00 0.00 0.00 23.12 20.12 1vlw s ALA 14 CO 0.01 -0.65 0.68 0.08 0.00 0.00 0.00 175.76 175.88 1vlw s VAL 15 N 2.13 4.83 -0.35 0.00 1.01 -0.35 0.78 120.40 128.44 1vlw s VAL 15 Ca 0.26 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 1vlw s VAL 15 Cb -0.16 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1vlw s VAL 15 CO 0.09 -1.02 0.60 -0.76 0.00 0.00 0.00 175.10 174.02 1vlw s LEU 16 N 2.70 4.28 -0.09 3.92 1.43 0.24 -4.31 118.68 126.85 1vlw s LEU 16 Ca 0.13 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1vlw s LEU 16 Cb -0.22 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 1vlw s LEU 16 CO 0.08 -0.55 -0.01 -0.13 0.23 0.00 0.00 176.35 175.98 1vlw s ARG 17 N 2.61 2.99 0.10 1.70 0.52 -1.26 -1.75 118.95 123.86 1vlw s ARG 17 Ca 0.23 -0.42 -0.24 0.00 -0.52 0.00 0.00 55.73 54.78 1vlw s ARG 17 Cb -0.15 -2.78 0.06 0.00 0.52 0.00 0.00 34.95 32.61 1vlw s ARG 17 CO 0.14 0.68 0.59 0.00 0.02 0.00 0.00 175.30 176.73 1vlw s ALA 18 N -0.83 -1.54 -2.21 2.13 0.00 -1.26 -4.91 121.76 113.14 1vlw s ALA 18 Ca 0.13 0.63 0.24 0.00 0.00 0.00 0.00 51.96 52.96 1vlw s ALA 18 Cb -0.11 0.63 0.33 0.00 0.00 0.00 0.00 23.12 23.97 1vlw s ALA 18 CO 0.02 -0.64 1.31 0.09 0.00 0.00 0.00 175.76 176.54 1vlw n ASN 19 N -0.00 1.92 -3.50 0.00 3.02 -1.26 -4.47 115.26 110.97 1vlw n ASN 19 Ca -0.18 -1.46 -0.11 0.00 -0.03 0.00 0.00 54.58 52.81 1vlw n ASN 19 Cb 0.63 0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 40.02 1vlw n ASN 19 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1vlw s SER 20 N -2.34 -0.50 0.15 6.41 1.04 -1.26 -4.71 113.70 112.49 1vlw s SER 20 Ca 0.24 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 1vlw s SER 20 Cb 0.19 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.93 1vlw s SER 20 CO 0.48 -1.01 1.79 0.58 0.98 0.00 0.00 173.24 176.06 1vlw h VAL 21 N 2.03 1.03 -0.24 5.02 2.07 -1.92 -0.90 116.25 123.34 1vlw h VAL 21 Ca -0.32 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1vlw h VAL 21 Cb 1.30 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1vlw h VAL 21 CO 0.37 0.07 0.06 -0.33 0.02 0.00 0.00 177.57 177.77 1vlw h GLU 22 N 0.41 0.37 0.19 1.57 3.07 -1.96 -1.13 114.58 117.10 1vlw h GLU 22 Ca 0.14 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1vlw h GLU 22 Cb 0.01 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1vlw h GLU 22 CO -0.07 0.47 -0.09 1.49 -1.40 0.00 0.00 179.01 179.41 1vlw h GLU 23 N 0.21 -0.24 -0.80 2.33 4.81 -1.93 -1.60 114.58 117.35 1vlw h GLU 23 Ca 0.07 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.50 1vlw h GLU 23 Cb 0.26 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.58 1vlw h GLU 23 CO -0.00 -0.16 0.27 0.00 -0.73 0.00 0.00 179.01 178.39 1vlw h ALA 24 N 0.56 1.15 -0.17 2.92 0.00 -1.08 -1.03 119.26 121.61 1vlw h ALA 24 Ca -0.03 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1vlw h ALA 24 Cb 0.19 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1vlw h ALA 24 CO 0.04 -0.32 -0.34 0.87 0.00 0.00 0.00 179.25 179.49 1vlw h LYS 25 N 0.34 0.54 0.00 0.00 1.57 -0.88 0.21 116.57 118.35 1vlw h LYS 25 Ca 0.47 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1vlw h LYS 25 Cb 0.83 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1vlw h LYS 25 CO -0.51 0.96 -0.44 1.05 -0.57 0.00 0.00 179.45 179.94 1vlw h GLU 26 N 0.18 0.00 -0.20 3.15 4.11 -1.19 -1.63 114.58 119.00 1vlw h GLU 26 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.39 1vlw h GLU 26 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1vlw h GLU 26 CO 0.08 0.44 -0.07 0.87 0.07 0.00 0.00 179.01 180.40 1vlw h LYS 27 N 0.00 0.40 -0.91 1.06 1.57 -0.97 -1.37 116.57 116.36 1vlw h LYS 27 Ca -0.00 -0.16 0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1vlw h LYS 27 Cb 0.82 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.03 1vlw h LYS 27 CO 0.06 0.67 0.55 0.00 -0.57 0.00 0.00 179.45 180.16 1vlw h ALA 28 N 0.72 1.32 -0.12 3.86 0.00 -0.82 -1.52 119.26 122.70 1vlw h ALA 28 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1vlw h ALA 28 Cb 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vlw h ALA 28 CO 0.02 0.19 -0.01 1.25 0.00 0.00 0.00 179.25 180.70 1vlw h LEU 29 N 0.91 0.22 -0.85 0.00 5.85 -1.26 -1.99 115.31 118.19 1vlw h LEU 29 Ca 0.44 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1vlw h LEU 29 Cb 0.38 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1vlw h LEU 29 CO -0.24 0.49 0.15 0.00 -0.34 0.00 0.00 178.44 178.50 1vlw h ALA 30 N 0.73 1.06 -0.36 1.25 0.00 -0.92 -0.22 119.26 120.79 1vlw h ALA 30 Ca 0.03 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1vlw h ALA 30 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1vlw h ALA 30 CO 0.01 0.62 -0.35 -0.24 0.00 0.00 0.00 179.25 179.29 1vlw h VAL 31 N 0.96 1.28 -0.02 0.00 3.04 -1.29 -1.80 116.25 118.41 1vlw h VAL 31 Ca 0.20 -1.52 -0.00 0.00 -1.01 0.00 0.00 66.70 64.37 1vlw h VAL 31 Cb 0.35 1.42 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1vlw h VAL 31 CO 0.00 0.50 0.00 0.15 -1.01 0.00 0.00 177.57 177.22 1vlw h PHE 32 N 0.68 0.04 -1.08 3.17 3.57 -1.05 -2.18 116.94 120.09 1vlw h PHE 32 Ca 0.06 -0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.84 1vlw h PHE 32 Cb 0.94 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.57 1vlw h PHE 32 CO 0.07 0.30 0.70 0.93 -2.23 0.00 0.00 178.31 178.07 1vlw h GLU 33 N -0.23 0.32 0.00 1.11 5.08 -1.01 0.10 114.58 119.95 1vlw h GLU 33 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1vlw h GLU 33 Cb 0.28 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1vlw h GLU 33 CO 0.00 0.21 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 1vlw n GLY 34 N -1.50 -0.93 0.00 -3.84 0.00 -0.68 -4.92 105.19 93.32 1vlw n GLY 34 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1vlw n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlw n GLY 35 N 0.70 0.62 3.56 -0.02 0.00 0.35 -2.60 105.19 107.79 1vlw n GLY 35 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1vlw n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlw s VAL 36 N -2.00 4.76 -0.14 1.61 1.01 -0.89 -4.92 120.40 119.82 1vlw s VAL 36 Ca 0.00 0.59 0.21 0.00 0.00 0.00 0.00 61.98 62.78 1vlw s VAL 36 Cb 0.00 -4.21 -0.16 0.00 0.00 0.00 0.00 36.38 32.01 1vlw s VAL 36 CO 0.00 -0.50 0.74 1.41 0.00 0.00 0.00 175.10 176.75 1vlw n HIS 37 N 6.40 0.57 -3.44 5.22 -0.00 -1.26 -3.65 115.22 119.05 1vlw n HIS 37 Ca 0.01 0.17 -0.40 0.00 -0.00 0.00 0.00 57.72 57.51 1vlw n HIS 37 Cb 0.48 -0.83 -0.10 0.00 -0.00 0.00 0.00 29.99 29.55 1vlw n HIS 37 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1vlw s LEU 38 N -5.16 4.22 -0.18 2.41 1.43 -1.26 0.71 118.68 120.86 1vlw s LEU 38 Ca -0.04 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1vlw s LEU 38 Cb 0.11 -2.31 0.04 0.00 0.03 0.00 0.00 46.19 44.06 1vlw s LEU 38 CO 0.84 -0.22 -0.06 -0.63 0.23 0.00 0.00 176.35 176.51 1vlw s ILE 39 N 1.96 1.19 -0.49 -0.59 1.01 0.15 -0.66 121.20 123.77 1vlw s ILE 39 Ca 0.11 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 1vlw s ILE 39 Cb -0.16 -1.37 0.08 0.00 0.01 0.00 0.00 42.46 41.02 1vlw s ILE 39 CO 0.11 0.11 0.42 -0.70 0.00 0.00 0.00 174.94 174.88 1vlw s GLU 40 N 1.59 2.99 -0.42 2.79 2.12 0.23 -1.07 118.70 126.93 1vlw s GLU 40 Ca -0.00 -1.38 -0.27 0.00 0.36 0.00 0.00 54.97 53.68 1vlw s GLU 40 Cb -0.16 -4.16 0.02 0.00 0.26 0.00 0.00 34.13 30.10 1vlw s GLU 40 CO -0.08 -1.09 0.99 0.42 -0.54 0.00 0.00 175.26 174.96 1vlw s ILE 41 N 1.69 4.45 0.39 -3.70 -1.09 -0.02 -0.59 121.20 122.33 1vlw s ILE 41 Ca 0.04 1.09 -0.24 0.00 -2.23 0.00 0.00 60.65 59.31 1vlw s ILE 41 Cb -0.25 -4.44 -0.09 0.00 -1.58 0.00 0.00 42.46 36.10 1vlw s ILE 41 CO 0.06 -0.74 1.04 0.42 -1.23 0.00 0.00 174.94 174.49 1vlw s THR 42 N 3.81 3.76 -2.26 2.92 -4.23 -0.72 -0.33 115.64 118.59 1vlw s THR 42 Ca 0.41 1.37 0.29 0.00 -1.18 0.00 0.00 61.69 62.58 1vlw s THR 42 Cb -0.10 -3.72 0.66 0.00 1.34 0.00 0.00 72.50 70.67 1vlw s THR 42 CO 0.24 0.03 1.91 0.49 -0.54 0.00 0.00 174.62 176.75 1vlw n PHE 43 N 0.04 0.00 0.38 3.99 3.01 0.50 -1.73 117.46 123.65 1vlw n PHE 43 Ca 0.04 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.57 1vlw n PHE 43 Cb 0.49 -0.02 0.29 0.00 -0.01 0.00 0.00 39.48 40.23 1vlw n PHE 43 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1vlw n THR 44 N -0.32 1.17 -2.74 4.37 -2.24 -1.26 -4.76 114.28 108.50 1vlw n THR 44 Ca 0.20 0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.88 1vlw n THR 44 Cb 0.27 -1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 67.31 1vlw n THR 44 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1vlw s VAL 45 N -3.06 4.73 0.23 2.28 1.01 -0.70 -4.91 120.40 119.97 1vlw s VAL 45 Ca 0.05 2.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 1vlw s VAL 45 Cb 0.08 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1vlw s VAL 45 CO 0.23 0.23 1.43 -2.16 0.00 0.00 0.00 175.10 174.83 1vlw s PRO 46 N 0.56 4.28 -1.31 2.72 0.04 -1.26 -2.57 135.00 137.46 1vlw s PRO 46 Ca 0.49 2.27 -0.00 0.00 0.04 0.00 0.00 61.00 63.80 1vlw s PRO 46 Cb -0.22 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1vlw s PRO 46 CO 0.28 -0.41 0.70 -0.25 0.04 0.00 0.00 177.00 177.36 1vlw n ASP 47 N 2.53 -1.20 -0.05 6.66 8.00 -1.26 -4.20 116.55 127.03 1vlw n ASP 47 Ca 0.07 -0.82 -0.09 0.00 0.71 0.00 0.00 54.79 54.66 1vlw n ASP 47 Cb 0.40 -4.05 -0.03 0.00 -0.02 0.00 0.00 41.12 37.43 1vlw n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vlw h ALA 48 N 0.87 0.26 -0.84 2.24 0.00 -1.82 0.29 119.26 120.25 1vlw h ALA 48 Ca -0.61 0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.50 1vlw h ALA 48 Cb 1.36 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1vlw h ALA 48 CO 0.57 -0.30 0.31 0.38 0.00 0.00 0.00 179.25 180.21 1vlw h ASP 49 N 0.24 0.21 0.09 0.00 2.03 -1.89 0.13 116.42 117.22 1vlw h ASP 49 Ca 0.08 0.15 -0.12 0.00 -0.73 0.00 0.00 57.03 56.41 1vlw h ASP 49 Cb 0.01 0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.66 1vlw h ASP 49 CO -0.05 -0.01 -0.42 0.74 -1.03 0.00 0.00 179.24 178.46 1vlw h THR 50 N 0.35 1.31 -0.72 1.15 2.02 -1.64 -2.53 112.91 112.86 1vlw h THR 50 Ca 0.51 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 66.13 1vlw h THR 50 Cb 0.93 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 1vlw h THR 50 CO -0.53 0.49 0.46 0.58 0.37 0.00 0.00 175.52 176.89 1vlw h VAL 51 N 0.34 1.14 0.17 3.16 2.07 0.12 -2.18 116.25 121.07 1vlw h VAL 51 Ca 0.03 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1vlw h VAL 51 Cb 0.89 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1vlw h VAL 51 CO 0.07 0.17 -0.08 0.40 0.02 0.00 0.00 177.57 178.15 1vlw h ILE 52 N 0.92 0.96 -0.68 4.57 2.04 -1.14 -2.81 117.51 121.37 1vlw h ILE 52 Ca 0.28 -0.77 0.12 0.00 1.00 0.00 0.00 64.86 65.49 1vlw h ILE 52 Cb -0.04 1.42 -0.13 0.00 -0.74 0.00 0.00 36.82 37.33 1vlw h ILE 52 CO -0.09 0.17 -0.33 0.50 0.00 0.00 0.00 178.15 178.41 1vlw h LYS 53 N -0.61 -0.11 0.00 2.37 3.64 -1.45 -1.80 116.57 118.62 1vlw h LYS 53 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1vlw h LYS 53 Cb 0.46 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1vlw h LYS 53 CO 0.04 -0.07 0.00 0.39 -2.27 0.00 0.00 179.45 177.53 1vlw n GLU 54 N -5.45 0.52 -0.34 1.90 1.02 -0.82 -2.55 120.64 114.91 1vlw n GLU 54 Ca 0.06 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.35 1vlw n GLU 54 Cb 0.37 -1.50 0.29 0.00 -0.02 0.00 0.00 31.44 30.58 1vlw n GLU 54 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1vlw n LEU 55 N -1.14 3.77 0.16 -4.62 4.77 -0.68 -4.37 117.00 114.90 1vlw n LEU 55 Ca 0.14 -2.00 0.14 0.00 -0.03 0.00 0.00 56.01 54.26 1vlw n LEU 55 Cb 0.13 -0.44 0.70 0.00 -2.33 0.00 0.00 43.42 41.47 1vlw n LEU 55 CO 0.15 0.94 1.12 0.77 -1.33 0.00 0.00 177.39 179.05 1vlw h SER 56 N 3.88 0.00 -0.03 -1.43 4.64 -1.55 0.68 113.55 119.73 1vlw h SER 56 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1vlw h SER 56 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1vlw h SER 56 CO 0.00 0.00 0.03 2.19 -0.87 0.00 0.00 176.83 178.18 1vlw h PHE 57 N 0.00 0.00 0.08 4.77 -0.00 -1.86 -0.33 116.94 119.60 1vlw h PHE 57 Ca 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 57.97 57.76 1vlw h PHE 57 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.36 1vlw h PHE 57 CO 0.00 0.00 -1.72 1.25 -0.00 0.00 0.00 178.31 177.84 1vlw h LEU 58 N 0.00 0.26 -0.84 2.10 5.85 -1.26 -3.27 115.31 118.16 1vlw h LEU 58 Ca 0.02 -0.48 0.13 0.00 0.84 0.00 0.00 57.88 58.38 1vlw h LEU 58 Cb 0.07 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.92 1vlw h LEU 58 CO -0.00 1.42 0.44 0.50 -0.34 0.00 0.00 178.44 180.46 1vlw h LYS 59 N 0.05 0.65 -0.24 1.25 3.64 -0.67 -1.17 116.57 120.07 1vlw h LYS 59 Ca -0.31 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1vlw h LYS 59 Cb 2.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 1vlw h LYS 59 CO 0.11 0.43 0.16 0.93 -2.27 0.00 0.00 179.45 178.81 1vlw h GLU 60 N 0.67 0.29 0.00 1.90 5.08 -1.13 -2.21 114.58 119.18 1vlw h GLU 60 Ca 0.44 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1vlw h GLU 60 Cb 0.57 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1vlw h GLU 60 CO -0.33 0.19 0.00 1.63 -1.00 0.00 0.00 179.01 179.50 1vlw n LYS 61 N -4.50 0.05 0.00 2.33 4.01 -0.48 -4.90 118.16 114.67 1vlw n LYS 61 Ca 0.01 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 1vlw n LYS 61 Cb 0.09 -1.57 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 1vlw n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vlw n GLY 62 N 0.54 1.17 3.74 0.72 0.00 -0.83 -5.10 105.19 105.44 1vlw n GLY 62 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1vlw n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vlw s ALA 63 N -2.00 3.43 -0.35 4.61 0.00 -0.96 -4.93 121.76 121.56 1vlw s ALA 63 Ca 0.00 0.95 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 1vlw s ALA 63 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1vlw s ALA 63 CO 0.00 -0.34 0.24 0.42 0.00 0.00 0.00 175.76 176.08 1vlw s ILE 64 N -0.27 5.13 -0.14 0.00 -1.09 0.22 -4.43 121.20 120.63 1vlw s ILE 64 Ca 0.51 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 1vlw s ILE 64 Cb -0.33 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1vlw s ILE 64 CO 0.38 -0.07 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.19 1vlw s ILE 65 N 1.69 2.31 0.06 2.92 1.01 -1.26 -0.68 121.20 127.24 1vlw s ILE 65 Ca 0.05 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1vlw s ILE 65 Cb -0.18 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 1vlw s ILE 65 CO 0.10 0.54 0.03 0.61 0.00 0.00 0.00 174.94 176.21 1vlw n GLY 66 N 3.95 3.95 3.31 6.18 0.00 -0.24 0.13 105.19 122.46 1vlw n GLY 66 Ca -0.19 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 1vlw n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vlw s ALA 67 N -2.17 2.24 0.34 4.61 0.00 -0.02 -0.84 121.76 125.92 1vlw s ALA 67 Ca 0.04 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 51.03 1vlw s ALA 67 Cb 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 23.12 22.37 1vlw s ALA 67 CO 0.03 0.46 -0.05 0.20 0.00 0.00 0.00 175.76 176.40 1vlw s GLY 68 N -0.35 2.15 -1.46 0.00 0.00 0.55 -0.12 107.32 108.09 1vlw s GLY 68 Ca 0.02 -2.04 -0.08 0.00 0.00 0.00 0.00 44.72 42.62 1vlw s GLY 68 CO 0.02 -1.98 0.79 2.41 0.00 0.00 0.00 173.10 174.34 1vlw n THR 69 N -0.86 -2.82 -2.99 0.90 -1.04 -0.73 -0.37 114.28 106.36 1vlw n THR 69 Ca -0.05 -0.23 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 1vlw n THR 69 Cb 0.63 -2.98 -0.05 0.00 -1.82 0.00 0.00 70.33 66.11 1vlw n THR 69 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1vlw s VAL 70 N -3.51 4.91 -0.19 12.58 1.01 -0.69 -4.37 120.40 130.13 1vlw s VAL 70 Ca 0.37 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.77 1vlw s VAL 70 Cb -0.19 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1vlw s VAL 70 CO 0.84 -0.01 0.25 0.35 0.00 0.00 0.00 175.10 176.54 1vlw n THR 71 N 5.10 0.00 -3.87 3.92 -2.24 -1.26 -4.47 114.28 111.46 1vlw n THR 71 Ca 0.03 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 1vlw n THR 71 Cb 0.48 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 1vlw n THR 71 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vlw s SER 72 N -0.95 0.10 0.38 3.42 1.04 -1.26 -5.04 113.70 111.38 1vlw s SER 72 Ca 0.02 -0.52 0.19 0.00 0.48 0.00 0.00 55.95 56.12 1vlw s SER 72 Cb 0.02 0.30 0.72 0.00 0.10 0.00 0.00 66.02 67.16 1vlw s SER 72 CO 0.09 -0.62 1.75 0.58 0.98 0.00 0.00 173.24 176.02 1vlw h VAL 73 N 3.18 0.91 0.89 5.02 2.07 -1.96 -2.29 116.25 124.07 1vlw h VAL 73 Ca -0.33 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 1vlw h VAL 73 Cb 1.19 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1vlw h VAL 73 CO 0.52 0.36 -0.46 -0.33 0.02 0.00 0.00 177.57 177.68 1vlw h GLU 74 N 0.00 -1.19 -0.69 1.57 3.07 -1.99 0.27 114.58 115.62 1vlw h GLU 74 Ca -0.00 0.08 0.15 0.00 -0.50 0.00 0.00 59.36 59.09 1vlw h GLU 74 Cb 0.86 0.27 -0.12 0.00 -0.84 0.00 0.00 28.75 28.92 1vlw h GLU 74 CO 0.05 -0.80 0.04 1.96 -1.40 0.00 0.00 179.01 178.86 1vlw h GLN 75 N -1.24 0.14 -0.57 2.33 4.20 -1.97 -1.23 115.11 116.77 1vlw h GLN 75 Ca -0.12 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.61 1vlw h GLN 75 Cb 0.96 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.67 1vlw h GLN 75 CO 0.18 0.09 0.33 0.00 -0.67 0.00 0.00 178.83 178.76 1vlw h ARG 77 N 0.65 -0.41 -0.49 0.00 2.43 0.31 -0.74 114.38 116.14 1vlw h ARG 77 Ca 0.24 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.51 1vlw h ARG 77 Cb 0.06 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1vlw h ARG 77 CO -0.12 -0.26 0.15 0.87 -1.51 0.00 0.00 179.97 179.10 1vlw h LYS 78 N -0.44 0.30 0.02 0.20 1.57 -0.94 -0.38 116.57 116.90 1vlw h LYS 78 Ca -0.04 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1vlw h LYS 78 Cb 0.34 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1vlw h LYS 78 CO 0.07 0.20 -0.14 0.00 -0.57 0.00 0.00 179.45 179.01 1vlw h ALA 79 N 1.34 -0.18 -0.32 3.86 0.00 -0.31 -0.76 119.26 122.89 1vlw h ALA 79 Ca 0.24 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1vlw h ALA 79 Cb 0.27 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1vlw h ALA 79 CO -0.26 -0.64 0.21 0.28 0.00 0.00 0.00 179.25 178.83 1vlw h VAL 80 N -0.24 1.07 -0.72 0.00 2.07 -0.92 -1.41 116.25 116.09 1vlw h VAL 80 Ca 0.04 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.54 1vlw h VAL 80 Cb 0.29 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1vlw h VAL 80 CO -0.12 0.08 0.48 -0.33 0.02 0.00 0.00 177.57 177.70 1vlw h GLU 81 N 0.42 0.47 0.00 1.57 5.08 -0.89 -1.11 114.58 120.12 1vlw h GLU 81 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1vlw h GLU 81 Cb -0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1vlw h GLU 81 CO -0.04 0.31 0.00 0.77 -1.00 0.00 0.00 179.01 179.06 1vlw h SER 82 N 0.49 0.00 0.00 1.42 0.02 -0.43 -3.48 113.55 111.56 1vlw h SER 82 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1vlw h SER 82 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1vlw h SER 82 CO -0.11 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.19 1vlw n GLY 83 N 1.06 1.69 3.70 -3.77 0.00 -0.42 -3.41 105.19 104.04 1vlw n GLY 83 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1vlw n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vlw n ALA 84 N -0.96 1.91 0.95 4.61 0.00 -0.62 -4.87 120.51 121.53 1vlw n ALA 84 Ca 0.00 0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.95 1vlw n ALA 84 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.00 1vlw n ALA 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vlw n GLU 85 N 2.66 0.03 -3.62 0.00 1.02 0.12 -4.68 120.64 116.17 1vlw n GLU 85 Ca 0.12 -0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 1vlw n GLU 85 Cb 0.33 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 1vlw n GLU 85 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1vlw s PHE 86 N -3.03 -0.24 -0.06 -0.32 -0.12 -1.26 -4.46 117.98 108.50 1vlw s PHE 86 Ca 0.08 -0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.91 1vlw s PHE 86 Cb 0.16 0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.86 1vlw s PHE 86 CO 0.84 -0.70 -0.04 0.42 -0.05 0.00 0.00 175.22 175.69 1vlw s ILE 87 N -3.70 0.57 -0.03 -4.49 -1.09 -0.27 -0.84 121.20 111.35 1vlw s ILE 87 Ca 0.02 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.40 1vlw s ILE 87 Cb 0.01 -0.62 -0.01 0.00 -1.58 0.00 0.00 42.46 40.27 1vlw s ILE 87 CO -0.11 0.25 -0.20 -0.69 -1.23 0.00 0.00 174.94 172.95 1vlw s VAL 88 N 1.20 1.63 0.10 2.92 1.01 0.82 0.24 120.40 128.31 1vlw s VAL 88 Ca -0.06 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1vlw s VAL 88 Cb -0.14 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1vlw s VAL 88 CO -0.02 0.46 -0.12 -0.94 0.00 0.00 0.00 175.10 174.49 1vlw s SER 89 N -0.34 1.62 0.50 3.32 1.04 -1.05 -1.71 113.70 117.09 1vlw s SER 89 Ca 0.04 -0.76 0.29 0.00 0.48 0.00 0.00 55.95 56.01 1vlw s SER 89 Cb -0.09 -0.02 1.13 0.00 0.10 0.00 0.00 66.02 67.13 1vlw s SER 89 CO 0.00 -0.19 1.90 1.55 0.98 0.00 0.00 173.24 177.48 1vlw h PRO 90 N 3.74 0.00 0.00 4.02 0.13 -1.90 0.48 132.00 138.48 1vlw h PRO 90 Ca -0.39 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.30 1vlw h PRO 90 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1vlw h PRO 90 CO 0.49 0.09 -0.38 -2.39 -0.23 0.00 0.00 178.00 175.58 1vlw n HIS 91 N -3.21 -0.07 -3.58 1.56 1.44 -1.26 -4.28 115.22 105.82 1vlw n HIS 91 Ca 0.01 -2.18 -0.38 0.00 -2.01 0.00 0.00 57.72 53.16 1vlw n HIS 91 Cb 0.37 0.05 -0.11 0.00 0.12 0.00 0.00 29.99 30.42 1vlw n HIS 91 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1vlw s LEU 92 N 0.00 4.04 -0.21 2.39 2.96 -1.02 -1.85 118.68 124.99 1vlw s LEU 92 Ca 0.21 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1vlw s LEU 92 Cb 0.01 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.58 1vlw s LEU 92 CO 0.15 -0.04 -0.16 -0.62 -1.32 0.00 0.00 176.35 174.35 1vlw s ASP 93 N 1.61 3.58 0.36 3.68 -1.08 -1.26 -5.00 116.67 118.56 1vlw s ASP 93 Ca 0.08 -0.84 0.20 0.00 -0.52 0.00 0.00 52.55 51.47 1vlw s ASP 93 Cb -0.15 -1.52 0.36 0.00 -1.46 0.00 0.00 42.92 40.14 1vlw s ASP 93 CO 0.10 -0.06 1.58 -0.33 0.52 0.00 0.00 175.17 176.99 1vlw h GLU 94 N 7.91 0.00 -0.12 4.34 5.08 -1.98 -1.83 114.58 127.97 1vlw h GLU 94 Ca -0.38 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.76 1vlw h GLU 94 Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1vlw h GLU 94 CO 0.59 0.29 -0.80 0.93 -1.00 0.00 0.00 179.01 179.03 1vlw h GLU 95 N 0.00 0.71 -0.47 2.33 5.08 -1.99 -1.72 114.58 118.52 1vlw h GLU 95 Ca -0.00 -0.59 -0.11 0.00 -1.00 0.00 0.00 59.36 57.65 1vlw h GLU 95 Cb 1.12 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1vlw h GLU 95 CO 0.04 1.21 -0.13 0.82 -1.00 0.00 0.00 179.01 179.94 1vlw h ILE 96 N 0.47 1.27 -0.21 3.13 2.04 -1.92 -1.58 117.51 120.72 1vlw h ILE 96 Ca -0.06 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.59 1vlw h ILE 96 Cb 1.42 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 1vlw h ILE 96 CO 0.16 0.44 -0.38 -1.28 0.00 0.00 0.00 178.15 177.08 1vlw h SER 97 N 0.77 -1.22 0.10 1.72 0.87 -1.28 -1.19 113.55 113.33 1vlw h SER 97 Ca 0.12 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1vlw h SER 97 Cb 0.69 0.52 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1vlw h SER 97 CO 0.05 -0.39 -0.07 1.56 -0.53 0.00 0.00 176.83 177.46 1vlw h GLN 98 N -0.41 -0.17 -0.72 2.24 4.20 -1.26 -0.71 115.11 118.28 1vlw h GLN 98 Ca 0.10 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.93 1vlw h GLN 98 Cb 0.59 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.33 1vlw h GLN 98 CO -0.43 -0.11 0.33 0.35 -0.67 0.00 0.00 178.83 178.30 1vlw h PHE 99 N -0.17 0.59 -0.25 2.96 3.57 -1.17 -0.52 116.94 121.95 1vlw h PHE 99 Ca -0.01 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 1vlw h PHE 99 Cb 0.15 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1vlw h PHE 99 CO -0.09 0.17 -0.50 0.00 -2.23 0.00 0.00 178.31 175.66 1vlw h LYS 101 N 0.54 -1.00 -0.95 0.00 1.57 -0.65 0.74 116.57 116.82 1vlw h LYS 101 Ca 0.02 0.07 0.17 0.00 -1.87 0.00 0.00 60.65 59.04 1vlw h LYS 101 Cb 1.06 0.23 -0.17 0.00 0.08 0.00 0.00 32.23 33.43 1vlw h LYS 101 CO 0.10 -0.67 -0.32 0.93 -0.57 0.00 0.00 179.45 178.92 1vlw h GLU 102 N -1.04 -0.01 -0.04 3.15 5.08 -1.04 -0.21 114.58 120.47 1vlw h GLU 102 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1vlw h GLU 102 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1vlw h GLU 102 CO -0.03 -0.01 0.00 1.63 -1.00 0.00 0.00 179.01 179.61 1vlw n LYS 103 N -5.53 1.36 -2.38 2.33 4.76 -0.14 -4.92 118.16 113.63 1vlw n LYS 103 Ca 0.12 -0.52 -0.18 0.00 -2.87 0.00 0.00 58.31 54.86 1vlw n LYS 103 Cb 0.43 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 32.18 1vlw n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vlw n GLY 104 N 1.04 -0.37 3.63 0.72 0.00 -0.06 -5.00 105.19 105.15 1vlw n GLY 104 Ca 0.19 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1vlw n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlw s VAL 105 N -2.91 4.63 -0.02 1.61 1.01 0.24 -3.15 120.40 121.80 1vlw s VAL 105 Ca 0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1vlw s VAL 105 Cb -0.01 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1vlw s VAL 105 CO 0.02 0.49 1.71 0.12 0.00 0.00 0.00 175.10 177.44 1vlw s PHE 106 N 0.18 1.89 -0.11 5.22 5.36 -1.26 -4.40 117.98 124.86 1vlw s PHE 106 Ca 0.03 0.08 0.03 0.00 -0.96 0.00 0.00 56.93 56.12 1vlw s PHE 106 Cb -0.13 -3.98 -0.00 0.00 -0.34 0.00 0.00 43.02 38.57 1vlw s PHE 106 CO 0.01 -4.17 -0.23 -0.47 -1.46 0.00 0.00 175.22 168.90 1vlw s TYR 107 N 3.97 2.60 -0.43 10.12 5.04 -1.26 -1.11 117.35 136.28 1vlw s TYR 107 Ca 0.76 -1.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.33 1vlw s TYR 107 Cb -0.36 -1.74 0.12 0.00 0.35 0.00 0.00 41.96 40.33 1vlw s TYR 107 CO 0.32 -0.42 0.22 1.41 -1.34 0.00 0.00 175.55 175.74 1vlw s MET 108 N 0.40 2.01 0.42 4.97 -2.45 0.14 -4.96 119.30 119.83 1vlw s MET 108 Ca -0.17 -1.95 -0.20 0.00 -1.25 0.00 0.00 55.69 52.13 1vlw s MET 108 Cb -0.17 -3.55 -0.10 0.00 1.25 0.00 0.00 34.83 32.25 1vlw s MET 108 CO 0.07 -1.07 0.92 -1.25 1.05 0.00 0.00 175.02 174.74 1vlw s PRO 109 N 0.91 4.17 0.26 4.11 0.04 -1.26 -2.52 135.00 140.71 1vlw s PRO 109 Ca 0.10 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1vlw s PRO 109 Cb -0.22 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 1vlw s PRO 109 CO -0.04 -0.02 0.97 0.20 0.04 0.00 0.00 177.00 178.14 1vlw s GLY 110 N -2.26 3.06 0.07 0.56 0.00 0.16 -0.96 107.32 107.95 1vlw s GLY 110 Ca 0.61 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.98 1vlw s GLY 110 CO 0.15 1.20 -0.05 -1.34 0.00 0.00 0.00 173.10 173.06 1vlw s VAL 111 N -1.25 0.46 0.00 1.40 -7.23 0.07 -2.44 120.40 111.41 1vlw s VAL 111 Ca 0.43 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1vlw s VAL 111 Cb -0.26 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1vlw s VAL 111 CO 0.32 -0.91 0.00 0.80 -0.31 0.00 0.00 175.10 175.00 1vlw n MET 112 N 0.11 3.29 -4.30 4.82 1.56 -1.26 -2.82 117.12 118.52 1vlw n MET 112 Ca -0.14 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.13 1vlw n MET 112 Cb 0.61 -0.34 -0.10 0.00 2.15 0.00 0.00 33.22 35.54 1vlw n MET 112 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1vlw s THR 113 N -0.57 1.35 0.26 1.12 -4.23 -1.26 -4.98 115.64 107.33 1vlw s THR 113 Ca 0.00 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.37 1vlw s THR 113 Cb 0.00 -2.00 0.26 0.00 1.34 0.00 0.00 72.50 72.10 1vlw s THR 113 CO 0.00 -0.63 1.88 -0.65 -0.54 0.00 0.00 174.62 174.68 1vlw h PRO 114 N 2.65 1.13 -0.58 3.99 0.11 -1.99 -0.85 132.00 136.46 1vlw h PRO 114 Ca -0.37 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1vlw h PRO 114 Cb 1.21 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1vlw h PRO 114 CO 0.63 0.75 0.05 1.15 -0.21 0.00 0.00 178.00 180.37 1vlw h THR 115 N 1.16 1.25 -0.50 -1.15 2.02 -1.99 -1.39 112.91 112.31 1vlw h THR 115 Ca 0.42 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1vlw h THR 115 Cb 0.13 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1vlw h THR 115 CO -0.16 0.37 0.16 -0.33 0.37 0.00 0.00 175.52 175.93 1vlw h GLU 116 N 0.89 0.78 -0.41 6.66 5.08 -1.92 -2.25 114.58 123.41 1vlw h GLU 116 Ca 0.17 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1vlw h GLU 116 Cb 0.45 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1vlw h GLU 116 CO 0.02 0.73 0.19 1.25 -1.00 0.00 0.00 179.01 180.19 1vlw h LEU 117 N 0.68 0.27 -0.37 1.33 6.46 -0.82 -0.81 115.31 122.04 1vlw h LEU 117 Ca 0.16 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1vlw h LEU 117 Cb 0.27 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1vlw h LEU 117 CO -0.01 0.19 0.17 0.58 -0.62 0.00 0.00 178.44 178.76 1vlw h VAL 118 N 0.39 1.17 -0.71 1.05 2.07 -1.12 0.27 116.25 119.36 1vlw h VAL 118 Ca 0.18 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.31 1vlw h VAL 118 Cb 0.10 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 1vlw h VAL 118 CO -0.14 0.18 0.34 0.50 0.02 0.00 0.00 177.57 178.47 1vlw h LYS 119 N 0.45 0.54 -0.10 1.57 3.64 -1.24 -0.57 116.57 120.87 1vlw h LYS 119 Ca 0.12 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1vlw h LYS 119 Cb 0.13 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1vlw h LYS 119 CO -0.01 0.36 0.03 0.00 -2.27 0.00 0.00 179.45 177.56 1vlw h ALA 120 N 1.45 0.13 -0.49 5.00 0.00 -0.46 -2.98 119.26 121.90 1vlw h ALA 120 Ca 0.36 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1vlw h ALA 120 Cb 0.42 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1vlw h ALA 120 CO -0.30 -0.27 0.04 0.52 0.00 0.00 0.00 179.25 179.24 1vlw h MET 121 N -0.02 0.16 0.00 0.00 2.86 -0.75 -1.84 114.93 115.34 1vlw h MET 121 Ca 0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1vlw h MET 121 Cb 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1vlw h MET 121 CO -0.00 0.11 0.00 0.87 1.06 0.00 0.00 176.91 178.94 1vlw h LYS 122 N 0.16 0.00 -0.64 1.72 1.57 -1.02 0.14 116.57 118.51 1vlw h LYS 122 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1vlw h LYS 122 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1vlw h LYS 122 CO -0.37 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.79 1vlw n LEU 123 N -2.40 4.40 0.00 2.94 4.77 -0.75 -4.94 117.00 121.02 1vlw n LEU 123 Ca -0.00 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 1vlw n LEU 123 Cb 0.14 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1vlw n LEU 123 CO 0.16 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1vlw n GLY 124 N 0.98 0.79 3.50 -0.72 0.00 0.50 -5.01 105.19 105.22 1vlw n GLY 124 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1vlw n GLY 124 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vlw s HIS 125 N -2.18 3.13 -0.03 1.61 3.76 -0.86 -4.92 115.29 115.81 1vlw s HIS 125 Ca 0.00 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.69 1vlw s HIS 125 Cb 0.00 -2.23 -0.06 0.00 1.11 0.00 0.00 32.58 31.40 1vlw s HIS 125 CO 0.00 -0.24 0.10 0.25 -0.85 0.00 0.00 174.74 174.00 1vlw n THR 126 N 4.70 0.00 -3.61 1.30 -2.24 -1.26 -2.69 114.28 110.47 1vlw n THR 126 Ca -0.16 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.09 1vlw n THR 126 Cb 0.52 0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 69.10 1vlw n THR 126 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1vlw s ILE 127 N -2.20 4.66 0.00 2.28 1.01 -1.26 0.09 121.20 125.78 1vlw s ILE 127 Ca -0.01 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1vlw s ILE 127 Cb 0.03 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 1vlw s ILE 127 CO 0.18 -0.10 -0.24 -0.76 0.00 0.00 0.00 174.94 174.02 1vlw s LEU 128 N 1.59 2.09 -0.08 2.97 1.43 -0.21 -4.42 118.68 122.04 1vlw s LEU 128 Ca 0.03 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 1vlw s LEU 128 Cb -0.18 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 1vlw s LEU 128 CO 0.07 0.27 1.58 -0.75 0.23 0.00 0.00 176.35 177.74 1vlw s LYS 129 N -0.77 4.17 -0.27 1.70 2.47 -0.13 -1.08 119.74 125.82 1vlw s LYS 129 Ca 0.09 2.06 -0.24 0.00 -1.56 0.00 0.00 55.97 56.33 1vlw s LYS 129 Cb -0.09 -3.95 -0.00 0.00 -1.46 0.00 0.00 37.83 32.33 1vlw s LYS 129 CO 0.00 -0.85 0.80 -1.17 0.16 0.00 0.00 175.35 174.29 1vlw s LEU 130 N 4.01 4.08 -0.20 5.43 2.96 -1.02 -0.75 118.68 133.18 1vlw s LEU 130 Ca 0.70 0.84 -0.12 0.00 -0.22 0.00 0.00 54.13 55.32 1vlw s LEU 130 Cb -0.31 -3.12 0.06 0.00 0.50 0.00 0.00 46.19 43.33 1vlw s LEU 130 CO 0.27 -0.56 0.49 0.12 -1.32 0.00 0.00 176.35 175.35 1vlw s PHE 131 N 2.89 -0.70 -0.02 5.38 5.36 -1.13 -0.78 117.98 128.98 1vlw s PHE 131 Ca 0.33 1.49 -0.23 0.00 -0.96 0.00 0.00 56.93 57.56 1vlw s PHE 131 Cb -0.15 0.34 -0.04 0.00 -0.34 0.00 0.00 43.02 42.83 1vlw s PHE 131 CO 0.10 -0.37 0.70 -1.25 -1.46 0.00 0.00 175.22 172.94 1vlw s PRO 132 N 1.26 4.43 0.36 10.12 0.05 -1.26 -4.36 135.00 145.59 1vlw s PRO 132 Ca -0.08 0.91 0.27 0.00 0.05 0.00 0.00 61.00 62.15 1vlw s PRO 132 Cb -0.07 -3.40 1.21 0.00 0.05 0.00 0.00 34.50 32.29 1vlw s PRO 132 CO -0.12 0.18 1.80 0.78 0.05 0.00 0.00 177.00 179.69 1vlw h GLY 133 N 6.23 0.00 1.81 0.56 0.00 -1.12 -2.06 103.07 108.50 1vlw h GLY 133 Ca -0.43 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1vlw h GLY 133 CO 0.73 0.00 -0.12 0.83 0.00 0.00 0.00 176.54 177.98 1vlw h GLU 134 N 0.00 0.23 0.00 4.80 3.07 -1.80 -3.18 114.58 117.70 1vlw h GLU 134 Ca 0.00 -0.05 -0.32 0.00 -0.50 0.00 0.00 59.36 58.49 1vlw h GLU 134 Cb 0.28 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.11 1vlw h GLU 134 CO 0.00 0.36 -1.74 0.28 -1.40 0.00 0.00 179.01 176.51 1vlw n VAL 135 N -4.29 1.54 -3.38 3.13 0.31 -0.83 -4.66 118.33 110.15 1vlw n VAL 135 Ca -0.01 -0.16 -0.45 0.00 -0.01 0.00 0.00 64.34 63.71 1vlw n VAL 135 Cb 0.26 -1.98 -0.02 0.00 -0.91 0.00 0.00 33.84 31.19 1vlw n VAL 135 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1vlw s VAL 136 N -2.42 5.60 0.00 2.52 -7.23 -0.88 -5.01 120.40 112.98 1vlw s VAL 136 Ca -0.32 -3.09 0.00 0.00 -1.81 0.00 0.00 61.98 56.76 1vlw s VAL 136 Cb 0.09 -4.41 0.00 0.00 0.56 0.00 0.00 36.38 32.62 1vlw s VAL 136 CO 0.56 -1.10 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 1vlw n GLY 137 N 3.18 -0.16 0.42 2.32 0.00 -1.20 -4.39 105.19 105.36 1vlw n GLY 137 Ca 0.19 -1.74 0.25 0.00 0.00 0.00 0.00 46.02 44.72 1vlw n GLY 137 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vlw h PRO 138 N 0.00 0.33 -0.03 1.61 0.11 -1.92 0.11 132.00 132.20 1vlw h PRO 138 Ca 0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1vlw h PRO 138 Cb 0.00 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1vlw h PRO 138 CO 0.00 0.22 -0.18 1.96 -0.21 0.00 0.00 178.00 179.78 1vlw h GLN 139 N 0.34 0.05 -0.11 1.05 1.08 -1.95 -2.12 115.11 113.45 1vlw h GLN 139 Ca 0.63 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.79 1vlw h GLN 139 Cb 1.69 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 29.11 1vlw h GLN 139 CO -0.32 0.24 -0.04 0.35 -0.95 0.00 0.00 178.83 178.11 1vlw h PHE 140 N 0.05 0.25 -0.52 2.96 3.04 -1.07 -1.96 116.94 119.69 1vlw h PHE 140 Ca 0.01 -0.06 0.10 0.00 3.98 0.00 0.00 57.97 62.00 1vlw h PHE 140 Cb 0.36 -0.06 -0.09 0.00 2.56 0.00 0.00 35.95 38.72 1vlw h PHE 140 CO 0.00 0.55 -0.02 0.28 -2.02 0.00 0.00 178.31 177.10 1vlw h VAL 141 N -0.11 0.57 -0.44 1.41 2.07 -1.46 -1.87 116.25 116.41 1vlw h VAL 141 Ca 0.03 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1vlw h VAL 141 Cb 0.47 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1vlw h VAL 141 CO 0.01 0.02 -0.01 0.50 0.02 0.00 0.00 177.57 178.12 1vlw h LYS 142 N 0.10 0.79 -0.36 1.57 1.63 -1.36 -2.99 116.57 115.95 1vlw h LYS 142 Ca 0.26 -0.25 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 1vlw h LYS 142 Cb 0.40 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1vlw h LYS 142 CO -0.45 0.85 0.01 0.00 -3.45 0.00 0.00 179.45 176.41 1vlw h ALA 143 N 0.90 1.34 0.00 5.00 0.00 -0.98 -2.67 119.26 122.86 1vlw h ALA 143 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1vlw h ALA 143 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vlw h ALA 143 CO 0.02 0.45 0.00 0.52 0.00 0.00 0.00 179.25 180.25 1vlw h MET 144 N 0.54 0.00 0.56 0.00 2.86 -1.21 -3.33 114.93 114.34 1vlw h MET 144 Ca 0.11 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1vlw h MET 144 Cb 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1vlw h MET 144 CO 0.01 0.00 -0.32 -0.22 1.06 0.00 0.00 176.91 177.44 1vlw h LYS 145 N 0.00 -0.80 0.00 1.72 1.63 -1.34 -0.22 116.57 117.56 1vlw h LYS 145 Ca 0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1vlw h LYS 145 Cb 0.55 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1vlw h LYS 145 CO 0.00 -0.53 0.00 0.41 -3.45 0.00 0.00 179.45 175.88 1vlw n GLY 146 N -1.46 -2.83 0.37 5.01 0.00 -1.25 -1.85 105.19 103.16 1vlw n GLY 146 Ca -0.12 0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1vlw n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vlw h PRO 147 N 0.00 1.02 -2.16 1.61 0.13 -1.77 -3.34 132.00 127.49 1vlw h PRO 147 Ca 0.00 -0.06 -0.57 0.00 -0.87 0.00 0.00 66.00 64.50 1vlw h PRO 147 Cb 0.00 -0.23 -0.41 0.00 0.13 0.00 0.00 31.00 30.49 1vlw h PRO 147 CO 0.00 0.67 -0.80 1.19 -0.23 0.00 0.00 178.00 178.84 1vlw n PHE 148 N -4.53 2.57 0.30 1.56 3.72 -0.09 -4.96 117.46 116.02 1vlw n PHE 148 Ca 0.16 -3.95 0.17 0.00 -0.05 0.00 0.00 57.45 53.78 1vlw n PHE 148 Cb 0.26 -0.48 0.80 0.00 -0.94 0.00 0.00 39.48 39.12 1vlw n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1vlw h PRO 149 N 3.51 0.00 -0.02 -1.08 0.13 -1.50 -2.18 132.00 130.86 1vlw h PRO 149 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1vlw h PRO 149 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1vlw h PRO 149 CO 0.71 0.00 -0.35 0.09 -0.23 0.00 0.00 178.00 178.23 1vlw n ASN 150 N -2.74 2.28 -4.76 1.44 3.02 -1.26 -4.90 115.26 108.33 1vlw n ASN 150 Ca -0.01 -1.64 -0.40 0.00 -0.03 0.00 0.00 54.58 52.51 1vlw n ASN 150 Cb 0.16 0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 1vlw n ASN 150 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1vlw s VAL 151 N -2.33 4.36 -0.08 2.41 1.01 -0.82 -4.78 120.40 120.17 1vlw s VAL 151 Ca 0.21 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.99 1vlw s VAL 151 Cb 0.18 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1vlw s VAL 151 CO 0.50 0.49 -0.10 -0.54 0.00 0.00 0.00 175.10 175.44 1vlw s LYS 152 N -0.94 1.57 0.04 2.72 1.02 0.11 -4.97 119.74 119.28 1vlw s LYS 152 Ca 0.38 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.01 1vlw s LYS 152 Cb -0.23 -1.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.60 1vlw s LYS 152 CO 0.27 -0.10 0.24 -0.06 -0.92 0.00 0.00 175.35 174.78 1vlw s PHE 153 N 1.09 3.54 -0.35 3.18 0.08 -1.26 -1.05 117.98 123.21 1vlw s PHE 153 Ca -0.07 0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.39 1vlw s PHE 153 Cb -0.14 -1.87 0.11 0.00 -0.57 0.00 0.00 43.02 40.55 1vlw s PHE 153 CO -0.01 0.59 0.13 0.08 -0.10 0.00 0.00 175.22 175.91 1vlw s VAL 154 N -1.43 1.17 0.49 -0.44 1.01 -0.24 -1.91 120.40 119.05 1vlw s VAL 154 Ca 0.32 -1.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 1vlw s VAL 154 Cb -0.13 -1.86 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 1vlw s VAL 154 CO 0.22 -0.73 1.07 -2.16 0.00 0.00 0.00 175.10 173.50 1vlw s PRO 155 N 1.18 3.71 -0.02 2.72 0.04 -1.25 -2.44 135.00 138.94 1vlw s PRO 155 Ca 0.12 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.69 1vlw s PRO 155 Cb -0.20 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1vlw s PRO 155 CO -0.16 -0.53 -0.23 0.99 0.04 0.00 0.00 177.00 177.11 1vlw s THR 156 N -1.88 1.83 0.00 1.26 2.01 0.04 -0.08 115.64 118.83 1vlw s THR 156 Ca 0.68 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1vlw s THR 156 Cb -0.19 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.79 1vlw s THR 156 CO 0.23 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 1vlw n GLY 157 N 2.51 0.65 2.10 4.40 0.00 -1.26 -1.22 105.19 112.36 1vlw n GLY 157 Ca -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 1vlw n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlw n GLY 158 N 1.52 0.53 3.18 -0.02 0.00 -1.26 -3.16 105.19 105.98 1vlw n GLY 158 Ca 0.00 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1vlw n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlw s VAL 159 N -2.16 2.37 0.26 1.61 1.01 -1.26 -4.75 120.40 117.49 1vlw s VAL 159 Ca 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1vlw s VAL 159 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1vlw s VAL 159 CO 0.00 0.52 0.17 -0.46 0.00 0.00 0.00 175.10 175.33 1vlw n ASN 160 N 4.53 0.11 -0.20 3.32 0.23 -1.26 -4.87 115.26 117.13 1vlw n ASN 160 Ca -0.20 -2.60 0.04 0.00 -0.53 0.00 0.00 54.58 51.28 1vlw n ASN 160 Cb 0.50 1.05 0.30 0.00 -2.08 0.00 0.00 39.78 39.56 1vlw n ASN 160 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1vlw h LEU 161 N 0.00 0.76 -0.07 -4.53 3.38 -1.99 -0.64 115.31 112.22 1vlw h LEU 161 Ca -0.19 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1vlw h LEU 161 Cb 0.88 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1vlw h LEU 161 CO 0.30 0.52 -0.58 0.44 0.09 0.00 0.00 178.44 179.20 1vlw h ASP 162 N 0.88 0.00 -0.00 -0.43 3.32 -2.02 -3.31 116.42 114.86 1vlw h ASP 162 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1vlw h ASP 162 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1vlw h ASP 162 CO -0.09 0.58 -0.41 -0.46 -1.72 0.00 0.00 179.24 177.14 1vlw n ASN 163 N -3.27 0.94 -0.23 6.45 0.23 -1.14 -4.72 115.26 113.51 1vlw n ASN 163 Ca 0.01 -0.97 0.10 0.00 -0.53 0.00 0.00 54.58 53.19 1vlw n ASN 163 Cb 0.76 0.75 0.37 0.00 -2.08 0.00 0.00 39.78 39.57 1vlw n ASN 163 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1vlw h VAL 164 N 0.64 0.92 -0.31 3.53 3.04 -1.21 -1.08 116.25 121.78 1vlw h VAL 164 Ca 0.00 -0.25 -0.16 0.00 -1.01 0.00 0.00 66.70 65.29 1vlw h VAL 164 Cb 0.34 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 1vlw h VAL 164 CO 0.00 0.13 -0.43 0.00 -1.01 0.00 0.00 177.57 176.26 1vlw h GLU 166 N 0.63 0.84 -0.61 0.00 4.81 -1.55 0.24 114.58 118.94 1vlw h GLU 166 Ca 0.04 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1vlw h GLU 166 Cb 1.00 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 1vlw h GLU 166 CO 0.10 0.56 0.35 -1.49 -0.73 0.00 0.00 179.01 177.79 1vlw h TRP 167 N 0.87 0.64 -0.32 0.92 4.06 -0.80 -1.53 115.95 119.78 1vlw h TRP 167 Ca 0.33 0.02 -0.15 0.00 2.06 0.00 0.00 58.89 61.15 1vlw h TRP 167 Cb 0.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 1vlw h TRP 167 CO -0.05 0.34 -0.41 0.74 -3.56 0.00 0.00 178.44 175.50 1vlw h PHE 168 N 0.67 0.96 -0.92 0.49 0.04 -0.89 -2.96 116.94 114.33 1vlw h PHE 168 Ca 0.26 -0.29 0.09 0.00 2.80 0.00 0.00 57.97 60.83 1vlw h PHE 168 Cb 0.10 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 37.99 1vlw h PHE 168 CO -0.07 1.07 0.59 -0.22 -0.60 0.00 0.00 178.31 179.09 1vlw h LYS 169 N 0.65 0.94 0.00 1.51 3.64 -0.78 -1.26 116.57 121.26 1vlw h LYS 169 Ca 0.05 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1vlw h LYS 169 Cb 0.98 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1vlw h LYS 169 CO 0.09 0.62 -0.03 0.00 -2.27 0.00 0.00 179.45 177.86 1vlw h ALA 170 N 1.53 1.02 0.00 5.00 0.00 -1.12 -3.47 119.26 122.22 1vlw h ALA 170 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1vlw h ALA 170 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1vlw h ALA 170 CO -0.18 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1vlw n GLY 171 N -0.16 1.99 3.80 0.00 0.00 -0.48 -3.92 105.19 106.43 1vlw n GLY 171 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1vlw n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vlw s VAL 172 N -2.00 3.78 -0.00 1.61 -7.23 -1.16 -4.64 120.40 110.76 1vlw s VAL 172 Ca 0.00 0.91 -0.20 0.00 -1.81 0.00 0.00 61.98 60.88 1vlw s VAL 172 Cb 0.00 -3.40 -0.25 0.00 0.56 0.00 0.00 36.38 33.29 1vlw s VAL 172 CO 0.00 -0.43 1.06 0.25 -0.31 0.00 0.00 175.10 175.67 1vlw h LEU 173 N 0.73 0.54 -8.15 1.32 5.85 -1.72 -3.46 115.31 110.42 1vlw h LEU 173 Ca -0.48 -0.80 -0.05 0.00 0.84 0.00 0.00 57.88 57.39 1vlw h LEU 173 Cb 1.22 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 1vlw h LEU 173 CO 0.58 1.27 0.09 0.00 -0.34 0.00 0.00 178.44 180.04 1vlw s ALA 174 N -3.06 -0.47 0.01 1.25 0.00 -1.24 -4.40 121.76 113.85 1vlw s ALA 174 Ca -0.13 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.09 1vlw s ALA 174 Cb 0.03 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 1vlw s ALA 174 CO 0.83 -0.93 -0.21 0.14 0.00 0.00 0.00 175.76 175.59 1vlw s VAL 175 N -3.23 1.66 -0.14 0.00 -7.23 0.01 -3.83 120.40 107.64 1vlw s VAL 175 Ca 0.19 -1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 59.23 1vlw s VAL 175 Cb -0.03 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 1vlw s VAL 175 CO 0.11 0.34 0.15 -0.83 -0.31 0.00 0.00 175.10 174.57 1vlw s GLY 176 N -0.82 2.13 -0.05 2.32 0.00 0.89 -0.01 107.32 111.79 1vlw s GLY 176 Ca 0.08 -0.63 0.01 0.00 0.00 0.00 0.00 44.72 44.18 1vlw s GLY 176 CO 0.00 -0.14 -0.06 0.14 0.00 0.00 0.00 173.10 173.04 1vlw s VAL 177 N -0.49 0.66 0.00 1.40 1.01 -0.08 -4.27 120.40 118.62 1vlw s VAL 177 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1vlw s VAL 177 Cb -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1vlw s VAL 177 CO 0.02 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1vlw n GLY 178 N 3.99 0.35 0.36 4.51 0.00 -1.26 -1.22 105.19 111.92 1vlw n GLY 178 Ca -0.25 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1vlw n GLY 178 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vlw h SER 179 N 0.00 0.44 -0.14 1.61 4.64 -1.95 0.14 113.55 118.30 1vlw h SER 179 Ca 0.00 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1vlw h SER 179 Cb 0.00 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1vlw h SER 179 CO 0.00 0.26 0.34 0.00 -0.87 0.00 0.00 176.83 176.56 1vlw h ALA 180 N 1.67 1.59 0.00 5.18 0.00 -1.90 -2.56 119.26 123.25 1vlw h ALA 180 Ca 0.31 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 1vlw h ALA 180 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1vlw h ALA 180 CO -0.10 -0.41 -1.60 -0.11 0.00 0.00 0.00 179.25 177.03 1vlw n LEU 181 N -3.22 1.26 0.00 0.00 7.94 0.37 -4.83 117.00 118.52 1vlw n LEU 181 Ca 0.01 0.21 0.12 0.00 -1.11 0.00 0.00 56.01 55.24 1vlw n LEU 181 Cb 0.43 -0.51 0.17 0.00 0.53 0.00 0.00 43.42 44.04 1vlw n LEU 181 CO 0.19 0.15 0.33 1.33 -1.11 0.00 0.00 177.39 178.28 1vlw n VAL 182 N -3.81 0.03 -3.07 1.96 0.24 -0.49 -4.54 118.33 108.64 1vlw n VAL 182 Ca -0.27 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.34 61.61 1vlw n VAL 182 Cb 0.63 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 1vlw n VAL 182 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1vlw s LYS 183 N -3.02 4.44 0.00 7.34 2.20 -0.97 -4.90 119.74 124.83 1vlw s LYS 183 Ca 0.10 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1vlw s LYS 183 Cb 0.17 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1vlw s LYS 183 CO 0.74 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 176.62 1vlw n GLY 184 N 1.94 -0.35 3.85 5.54 0.00 -1.26 -4.65 105.19 110.25 1vlw n GLY 184 Ca -0.06 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.43 1vlw n GLY 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vlw s THR 185 N 0.00 4.62 0.31 2.61 -4.23 -1.26 -4.81 115.64 112.88 1vlw s THR 185 Ca 0.00 1.03 0.04 0.00 -1.18 0.00 0.00 61.69 61.58 1vlw s THR 185 Cb 0.00 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.47 1vlw s THR 185 CO 0.00 -0.43 1.85 -0.65 -0.54 0.00 0.00 174.62 174.85 1vlw h PRO 186 N 1.57 0.85 -0.36 3.99 0.11 -1.96 0.39 132.00 136.59 1vlw h PRO 186 Ca -0.48 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.65 1vlw h PRO 186 Cb 1.18 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.04 1vlw h PRO 186 CO 0.63 0.56 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.54 1vlw h ASP 187 N 0.88 -0.16 -0.43 -2.05 3.32 -1.97 -0.21 116.42 115.81 1vlw h ASP 187 Ca 0.47 0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.47 1vlw h ASP 187 Cb 0.56 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1vlw h ASP 187 CO -0.23 -0.04 -0.27 -0.33 -1.72 0.00 0.00 179.24 176.64 1vlw h GLU 188 N 0.09 0.96 -0.55 3.56 5.08 -0.73 -2.35 114.58 120.63 1vlw h GLU 188 Ca 0.17 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1vlw h GLU 188 Cb 0.24 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1vlw h GLU 188 CO -0.30 1.10 0.31 0.28 -1.00 0.00 0.00 179.01 179.40 1vlw h VAL 189 N 0.81 1.18 -0.89 3.13 2.07 -0.75 0.35 116.25 122.14 1vlw h VAL 189 Ca 0.09 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1vlw h VAL 189 Cb 0.84 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1vlw h VAL 189 CO 0.07 0.20 0.51 -0.09 0.02 0.00 0.00 177.57 178.28 1vlw h ARG 190 N 0.74 1.23 -0.05 1.57 2.43 -0.95 -0.54 114.38 118.82 1vlw h ARG 190 Ca 0.20 -0.13 -0.21 0.00 -0.81 0.00 0.00 59.98 59.02 1vlw h ARG 190 Cb 0.04 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1vlw h ARG 190 CO -0.03 0.88 -0.81 0.93 -1.51 0.00 0.00 179.97 179.43 1vlw h GLU 191 N 1.24 0.63 -0.82 0.20 4.39 -1.14 -1.87 114.58 117.22 1vlw h GLU 191 Ca 0.32 -0.62 0.05 0.00 0.34 0.00 0.00 59.36 59.45 1vlw h GLU 191 Cb -0.01 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 1vlw h GLU 191 CO -0.06 1.22 0.51 0.87 -1.16 0.00 0.00 179.01 180.40 1vlw h LYS 192 N 0.28 0.94 0.04 2.33 1.57 -0.82 -0.19 116.57 120.72 1vlw h LYS 192 Ca -0.09 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1vlw h LYS 192 Cb 1.47 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1vlw h LYS 192 CO 0.16 0.62 -0.02 0.00 -0.57 0.00 0.00 179.45 179.64 1vlw h ALA 193 N 1.36 -0.06 -0.52 3.86 0.00 -1.07 0.14 119.26 122.97 1vlw h ALA 193 Ca 0.34 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.33 1vlw h ALA 193 Cb 0.09 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1vlw h ALA 193 CO -0.14 -0.52 0.00 -0.22 0.00 0.00 0.00 179.25 178.37 1vlw h LYS 194 N -0.08 0.11 -0.43 0.00 3.64 -1.08 -0.43 116.57 118.30 1vlw h LYS 194 Ca -0.01 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1vlw h LYS 194 Cb 0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1vlw h LYS 194 CO 0.01 0.08 -0.17 0.00 -2.27 0.00 0.00 179.45 177.10 1vlw h ALA 195 N 1.46 0.89 0.32 5.00 0.00 -0.43 -1.70 119.26 124.80 1vlw h ALA 195 Ca 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1vlw h ALA 195 Cb 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1vlw h ALA 195 CO -0.44 0.63 -0.15 0.74 0.00 0.00 0.00 179.25 180.03 1vlw h PHE 196 N 0.73 -0.40 -0.71 0.00 0.04 -0.45 -1.19 116.94 114.97 1vlw h PHE 196 Ca 0.11 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.01 1vlw h PHE 196 Cb 0.68 0.13 -0.10 0.00 2.20 0.00 0.00 35.95 38.86 1vlw h PHE 196 CO 0.04 -0.13 0.23 0.28 -0.60 0.00 0.00 178.31 178.12 1vlw h VAL 197 N -0.61 0.62 -0.38 -0.55 2.07 -0.99 -1.36 116.25 115.05 1vlw h VAL 197 Ca -0.04 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1vlw h VAL 197 Cb 0.44 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1vlw h VAL 197 CO 0.07 0.06 0.13 -0.08 0.02 0.00 0.00 177.57 177.78 1vlw h GLU 198 N 0.35 0.58 -0.09 1.57 4.57 -1.32 -0.07 114.58 120.18 1vlw h GLU 198 Ca 0.39 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1vlw h GLU 198 Cb 0.61 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1vlw h GLU 198 CO -0.43 0.58 -0.01 0.87 -1.18 0.00 0.00 179.01 178.85 1vlw h LYS 199 N 0.47 0.02 -0.72 1.92 1.79 -0.60 -0.76 116.57 118.69 1vlw h LYS 199 Ca 0.12 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 1vlw h LYS 199 Cb 0.23 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 1vlw h LYS 199 CO -0.01 0.02 0.28 0.82 -1.08 0.00 0.00 179.45 179.47 1vlw h ILE 200 N 0.02 1.25 -0.94 1.86 2.04 -1.23 -2.43 117.51 118.08 1vlw h ILE 200 Ca 0.04 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1vlw h ILE 200 Cb 0.06 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1vlw h ILE 200 CO -0.08 0.32 0.62 -0.09 0.00 0.00 0.00 178.15 178.92 1vlw h ARG 201 N 1.04 1.19 -0.82 2.37 2.43 -0.74 -2.58 114.38 117.27 1vlw h ARG 201 Ca 0.24 -0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.46 1vlw h ARG 201 Cb 0.23 -0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 1vlw h ARG 201 CO -0.02 0.79 0.54 0.78 -1.51 0.00 0.00 179.97 180.55 1vlw h GLY 202 N 1.23 1.06 -0.06 2.80 0.00 -0.67 -3.51 103.07 103.92 1vlw h GLY 202 Ca 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1vlw h GLY 202 CO -0.10 0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.57