#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdm h ASP 2 N 0.00 0.00 -3.93 7.83 5.19 -2.04 -3.44 116.42 120.02 1vdm h ASP 2 Ca 0.00 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.07 1vdm h ASP 2 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 1vdm h ASP 2 CO 0.00 0.27 -0.70 -0.54 -3.12 0.00 0.00 179.24 175.15 1vdm s LYS 3 N -4.23 1.15 -0.21 3.56 1.02 -1.26 -3.65 119.74 116.12 1vdm s LYS 3 Ca -0.03 -1.52 -0.05 0.00 0.02 0.00 0.00 55.97 54.39 1vdm s LYS 3 Cb 0.14 -0.63 -0.02 0.00 -0.52 0.00 0.00 37.83 36.80 1vdm s LYS 3 CO 0.68 0.02 0.00 0.08 -0.92 0.00 0.00 175.35 175.22 1vdm s VAL 4 N -3.35 3.94 -0.72 3.17 1.01 0.87 -4.95 120.40 120.37 1vdm s VAL 4 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1vdm s VAL 4 Cb 0.03 -2.78 0.19 0.00 0.00 0.00 0.00 36.38 33.82 1vdm s VAL 4 CO 0.03 0.42 0.60 -0.31 0.00 0.00 0.00 175.10 175.84 1vdm s TYR 5 N 1.08 3.57 0.05 5.22 1.51 -1.26 -0.35 117.35 127.17 1vdm s TYR 5 Ca 0.02 -2.40 -0.31 0.00 -1.01 0.00 0.00 57.07 53.38 1vdm s TYR 5 Cb -0.14 -3.48 -0.07 0.00 -0.11 0.00 0.00 41.96 38.15 1vdm s TYR 5 CO 0.01 -0.91 1.48 -0.51 -1.11 0.00 0.00 175.55 174.52 1vdm s LEU 6 N 0.00 4.34 0.54 -1.29 1.43 -0.90 -5.01 118.68 117.80 1vdm s LEU 6 Ca 0.18 2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1vdm s LEU 6 Cb -0.15 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1vdm s LEU 6 CO -0.06 -0.76 0.95 0.42 0.23 0.00 0.00 176.35 177.13 1vdm s THR 7 N 2.17 4.70 0.24 5.49 -4.23 -1.26 -3.33 115.64 119.42 1vdm s THR 7 Ca 0.67 0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 61.98 1vdm s THR 7 Cb -0.36 -3.81 0.22 0.00 1.34 0.00 0.00 72.50 69.89 1vdm s THR 7 CO 0.29 -0.89 1.70 -0.50 -0.54 0.00 0.00 174.62 174.68 1vdm h TRP 8 N 0.32 0.36 0.10 3.99 4.06 -1.96 -1.48 115.95 121.34 1vdm h TRP 8 Ca -0.46 0.04 0.01 0.00 2.06 0.00 0.00 58.89 60.54 1vdm h TRP 8 Cb 1.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 1vdm h TRP 8 CO 0.64 -0.02 -0.12 2.35 -3.56 0.00 0.00 178.44 177.72 1vdm h TRP 9 N 0.33 -0.31 -0.90 0.49 7.01 -1.98 0.33 115.95 120.92 1vdm h TRP 9 Ca 0.40 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.48 1vdm h TRP 9 Cb 0.65 0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 27.77 1vdm h TRP 9 CO -0.22 -0.19 0.58 1.96 -2.79 0.00 0.00 178.44 177.79 1vdm h GLN 10 N -0.26 0.96 -0.19 2.65 4.20 -1.78 0.33 115.11 121.02 1vdm h GLN 10 Ca 0.01 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 1vdm h GLN 10 Cb 0.26 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1vdm h GLN 10 CO -0.05 0.63 -0.64 0.28 -0.67 0.00 0.00 178.83 178.39 1vdm h VAL 11 N 0.99 1.30 -0.35 -0.54 2.07 -0.86 -2.65 116.25 116.21 1vdm h VAL 11 Ca 0.40 -1.88 -0.06 0.00 0.82 0.00 0.00 66.70 65.98 1vdm h VAL 11 Cb 0.26 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1vdm h VAL 11 CO -0.16 0.59 -0.02 0.44 0.02 0.00 0.00 177.57 178.44 1vdm h ASP 12 N 0.51 0.62 0.60 0.57 3.32 0.10 -0.83 116.42 121.31 1vdm h ASP 12 Ca -0.01 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1vdm h ASP 12 Cb 1.23 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1vdm h ASP 12 CO 0.13 0.79 -0.04 0.03 -1.72 0.00 0.00 179.24 178.43 1vdm h ARG 13 N 0.43 0.00 0.07 3.56 2.47 -0.45 -1.37 114.38 119.09 1vdm h ARG 13 Ca 0.10 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.54 1vdm h ARG 13 Cb 0.49 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 1vdm h ARG 13 CO 0.02 0.04 -1.35 0.00 0.56 0.00 0.00 179.97 179.24 1vdm h ALA 14 N 1.96 0.32 -0.43 0.04 0.00 -1.07 -2.76 119.26 117.31 1vdm h ALA 14 Ca -0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 54.91 53.71 1vdm h ALA 14 Cb 0.35 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1vdm h ALA 14 CO 0.01 1.19 -0.30 0.82 0.00 0.00 0.00 179.25 180.97 1vdm h ILE 15 N 0.04 1.27 0.21 0.00 2.04 -0.36 -1.00 117.51 119.71 1vdm h ILE 15 Ca -0.16 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 1vdm h ILE 15 Cb 1.94 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1vdm h ILE 15 CO 0.15 0.50 -0.10 -0.26 0.00 0.00 0.00 178.15 178.44 1vdm h PHE 16 N 0.81 -0.26 -0.95 1.37 0.04 -1.35 -0.19 116.94 116.40 1vdm h PHE 16 Ca 0.09 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.95 1vdm h PHE 16 Cb 0.88 0.09 -0.07 0.00 2.20 0.00 0.00 35.95 39.04 1vdm h PHE 16 CO 0.06 -0.10 0.61 0.00 -0.60 0.00 0.00 178.31 178.28 1vdm h ALA 17 N 0.42 1.54 -0.35 2.45 0.00 -1.41 -0.42 119.26 121.49 1vdm h ALA 17 Ca -0.03 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1vdm h ALA 17 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1vdm h ALA 17 CO 0.05 0.27 -0.27 -0.07 0.00 0.00 0.00 179.25 179.23 1vdm h LEU 18 N 1.00 0.73 -0.44 0.00 3.38 -0.90 -3.05 115.31 116.02 1vdm h LEU 18 Ca 0.44 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1vdm h LEU 18 Cb 0.37 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1vdm h LEU 18 CO -0.20 0.96 0.12 0.00 0.09 0.00 0.00 178.44 179.41 1vdm h ALA 19 N 1.09 0.59 -0.81 1.53 0.00 0.51 -1.74 119.26 120.42 1vdm h ALA 19 Ca 0.08 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1vdm h ALA 19 Cb 0.77 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1vdm h ALA 19 CO 0.06 0.26 0.53 1.49 0.00 0.00 0.00 179.25 181.59 1vdm h GLU 20 N 0.58 0.78 0.00 0.00 4.57 -1.08 -1.12 114.58 118.32 1vdm h GLU 20 Ca 0.14 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1vdm h GLU 20 Cb 0.30 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1vdm h GLU 20 CO -0.00 0.52 -0.48 0.87 -1.18 0.00 0.00 179.01 178.74 1vdm h LYS 21 N 0.81 0.00 0.00 1.92 1.79 -1.42 -3.24 116.57 116.43 1vdm h LYS 21 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1vdm h LYS 21 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1vdm h LYS 21 CO -0.14 0.35 -0.07 1.28 -1.08 0.00 0.00 179.45 179.80 1vdm n LEU 22 N -3.15 0.83 -0.13 2.94 4.77 -0.50 -3.62 117.00 118.15 1vdm n LEU 22 Ca 0.02 0.54 -0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1vdm n LEU 22 Cb 0.69 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1vdm n LEU 22 CO 0.39 -0.17 0.92 0.03 -1.33 0.00 0.00 177.39 177.23 1vdm h ARG 23 N 0.00 0.57 -0.34 3.23 3.08 -1.38 -1.44 114.38 118.09 1vdm h ARG 23 Ca 0.00 -0.10 0.10 0.00 0.07 0.00 0.00 59.98 60.05 1vdm h ARG 23 Cb 0.75 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1vdm h ARG 23 CO 0.00 0.54 0.25 1.49 -1.07 0.00 0.00 179.97 181.18 1vdm h GLU 24 N 0.47 0.00 0.00 0.04 4.22 -1.75 -0.62 114.58 116.94 1vdm h GLU 24 Ca 0.13 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.40 1vdm h GLU 24 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1vdm h GLU 24 CO -0.01 0.00 -0.92 -0.92 -2.18 0.00 0.00 179.01 174.97 1vdm h TYR 25 N 0.00 0.00 -5.86 0.92 3.20 -1.48 -3.49 116.97 110.26 1vdm h TYR 25 Ca 0.16 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.85 1vdm h TYR 25 Cb 0.67 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.94 1vdm h TYR 25 CO 0.00 0.72 -0.75 1.63 -1.64 0.00 0.00 178.16 178.13 1vdm n LYS 26 N -3.19 -2.05 -2.44 1.82 5.02 -0.24 -4.95 118.16 112.13 1vdm n LYS 26 Ca -0.02 1.71 -0.36 0.00 -2.02 0.00 0.00 58.31 57.61 1vdm n LYS 26 Cb 0.85 -4.15 -0.03 0.00 -0.02 0.00 0.00 35.03 31.68 1vdm n LYS 26 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1vdm s PRO 27 N -2.78 3.93 -0.19 1.97 0.02 -1.26 -4.87 135.00 131.82 1vdm s PRO 27 Ca 0.25 1.58 0.11 0.00 0.02 0.00 0.00 61.00 62.96 1vdm s PRO 27 Cb -0.05 -2.39 -0.23 0.00 0.02 0.00 0.00 34.50 31.85 1vdm s PRO 27 CO 0.82 -0.36 0.09 -0.25 -0.33 0.00 0.00 177.00 176.97 1vdm n ASP 28 N -0.43 0.77 -3.85 2.53 10.43 0.18 -4.98 116.55 121.21 1vdm n ASP 28 Ca 0.07 0.03 -0.12 0.00 2.57 0.00 0.00 54.79 57.35 1vdm n ASP 28 Cb 0.50 0.37 -0.11 0.00 1.84 0.00 0.00 41.12 43.72 1vdm n ASP 28 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1vdm s VAL 29 N -2.52 0.05 -0.19 2.53 1.01 -1.13 -4.03 120.40 116.13 1vdm s VAL 29 Ca -0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1vdm s VAL 29 Cb 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 1vdm s VAL 29 CO 0.77 -0.24 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 1vdm s ILE 30 N -0.83 2.99 -0.39 2.22 1.01 -0.75 -2.19 121.20 123.25 1vdm s ILE 30 Ca -0.09 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 1vdm s ILE 30 Cb -0.05 -2.31 0.04 0.00 0.01 0.00 0.00 42.46 40.14 1vdm s ILE 30 CO 0.01 0.48 0.24 -0.63 0.00 0.00 0.00 174.94 175.03 1vdm s ILE 31 N 1.13 4.63 -0.19 2.92 -1.09 0.12 -1.14 121.20 127.57 1vdm s ILE 31 Ca 0.01 -0.94 -0.15 0.00 -2.23 0.00 0.00 60.65 57.34 1vdm s ILE 31 Cb -0.14 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1vdm s ILE 31 CO -0.03 -0.31 0.35 -0.83 -1.23 0.00 0.00 174.94 172.89 1vdm s GLY 32 N 1.72 2.12 -0.14 6.18 0.00 -0.66 0.06 107.32 116.60 1vdm s GLY 32 Ca 0.02 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 1vdm s GLY 32 CO 0.06 0.67 1.27 0.14 0.00 0.00 0.00 173.10 175.25 1vdm s VAL 33 N 1.05 4.23 0.24 1.40 1.01 -0.40 -2.55 120.40 125.38 1vdm s VAL 33 Ca 0.17 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.36 1vdm s VAL 33 Cb -0.14 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1vdm s VAL 33 CO 0.07 -0.11 1.25 0.00 0.00 0.00 0.00 175.10 176.31 1vdm s ALA 34 N 3.27 3.48 -0.03 5.51 0.00 0.32 0.94 121.76 135.26 1vdm s ALA 34 Ca 0.56 1.08 0.11 0.00 0.00 0.00 0.00 51.96 53.70 1vdm s ALA 34 Cb -0.23 -3.44 -0.16 0.00 0.00 0.00 0.00 23.12 19.29 1vdm s ALA 34 CO 0.17 -0.46 0.21 0.54 0.00 0.00 0.00 175.76 176.22 1vdm n ARG 35 N 1.94 0.57 0.24 0.00 1.74 -1.26 -4.47 116.66 115.42 1vdm n ARG 35 Ca 0.03 -0.09 0.16 0.00 -0.77 0.00 0.00 57.85 57.19 1vdm n ARG 35 Cb 0.43 -1.26 0.76 0.00 -1.02 0.00 0.00 32.46 31.37 1vdm n ARG 35 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1vdm h GLY 36 N 1.99 0.00 1.54 -0.13 0.00 -1.98 -2.48 103.07 102.01 1vdm h GLY 36 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.03 1vdm h GLY 36 CO 0.00 0.00 -1.32 -1.33 0.00 0.00 0.00 176.54 173.89 1vdm h GLY 37 N 1.27 0.18 -0.50 4.60 0.00 0.32 -3.29 103.07 105.66 1vdm h GLY 37 Ca 0.00 -0.46 0.06 0.00 0.00 0.00 0.00 47.33 46.93 1vdm h GLY 37 CO 0.00 0.41 -0.54 1.41 0.00 0.00 0.00 176.54 177.82 1vdm h LEU 38 N 0.04 -1.84 -0.27 3.11 3.38 -1.32 -1.17 115.31 117.24 1vdm h LEU 38 Ca -0.15 0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1vdm h LEU 38 Cb 1.93 0.78 -0.04 0.00 0.09 0.00 0.00 40.66 43.42 1vdm h LEU 38 CO 0.16 -0.37 0.02 0.40 0.09 0.00 0.00 178.44 178.74 1vdm h ILE 39 N -0.32 0.83 -0.45 1.22 2.04 -1.79 -0.81 117.51 118.24 1vdm h ILE 39 Ca 0.10 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1vdm h ILE 39 Cb 0.57 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1vdm h ILE 39 CO -0.66 0.02 0.29 -0.65 0.00 0.00 0.00 178.15 177.15 1vdm h PRO 40 N 0.11 0.56 -0.98 2.37 0.11 -1.75 -2.65 132.00 129.77 1vdm h PRO 40 Ca 0.13 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.25 1vdm h PRO 40 Cb 0.15 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.08 1vdm h PRO 40 CO -0.20 0.37 0.64 0.00 -0.21 0.00 0.00 178.00 178.61 1vdm h ALA 41 N 1.18 1.38 -0.02 -0.75 0.00 -0.85 -0.80 119.26 119.40 1vdm h ALA 41 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vdm h ALA 41 Cb -0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1vdm h ALA 41 CO -0.05 0.52 -0.00 0.28 0.00 0.00 0.00 179.25 179.99 1vdm h VAL 42 N 1.22 0.99 -0.49 0.00 2.07 -0.81 0.34 116.25 119.55 1vdm h VAL 42 Ca 0.40 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.83 1vdm h VAL 42 Cb 0.04 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1vdm h VAL 42 CO -0.13 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.47 1vdm h ARG 43 N 0.01 0.89 -0.45 1.57 3.08 -1.19 -2.97 114.38 115.31 1vdm h ARG 43 Ca 0.01 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.68 1vdm h ARG 43 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1vdm h ARG 43 CO -0.02 0.93 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.67 1vdm h LEU 44 N 0.75 0.77 -0.33 3.04 3.38 -1.05 -1.21 115.31 120.66 1vdm h LEU 44 Ca 0.14 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1vdm h LEU 44 Cb 0.55 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1vdm h LEU 44 CO 0.03 0.88 -0.12 -1.28 0.09 0.00 0.00 178.44 178.04 1vdm h SER 45 N 0.72 -0.43 -0.02 -0.43 0.87 -0.80 -0.39 113.55 113.08 1vdm h SER 45 Ca 0.13 0.12 -0.22 0.00 -1.23 0.00 0.00 61.79 60.58 1vdm h SER 45 Cb 0.55 0.25 0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1vdm h SER 45 CO 0.03 -0.16 -0.85 -0.74 -0.53 0.00 0.00 176.83 174.59 1vdm h HIS 46 N -0.06 0.89 -0.86 2.24 -0.00 -1.38 -2.21 115.15 113.76 1vdm h HIS 46 Ca 0.17 -0.47 0.03 0.00 -0.00 0.00 0.00 60.37 60.10 1vdm h HIS 46 Cb 0.31 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 27.57 1vdm h HIS 46 CO -0.34 1.30 0.57 0.82 -0.00 0.00 0.00 177.93 180.27 1vdm h ILE 47 N 0.22 1.15 -0.12 6.26 2.04 -1.02 -2.12 117.51 123.93 1vdm h ILE 47 Ca -0.10 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 1vdm h ILE 47 Cb 1.52 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1vdm h ILE 47 CO 0.17 0.20 0.07 0.18 0.00 0.00 0.00 178.15 178.77 1vdm n LEU 48 N -4.44 3.13 -0.80 1.44 4.77 -0.17 -4.80 117.00 116.13 1vdm n LEU 48 Ca 0.11 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 1vdm n LEU 48 Cb 0.10 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1vdm n LEU 48 CO 0.35 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1vdm n GLY 49 N 0.24 0.64 3.88 -0.72 0.00 -0.81 -4.27 105.19 104.15 1vdm n GLY 49 Ca 0.07 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1vdm n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vdm n ASP 50 N -0.02 -4.09 -4.77 1.61 9.92 -0.95 -4.94 116.55 113.31 1vdm n ASP 50 Ca 0.00 -0.76 -0.33 0.00 -0.53 0.00 0.00 54.79 53.18 1vdm n ASP 50 Cb 0.49 -3.31 0.06 0.00 -0.64 0.00 0.00 41.12 37.73 1vdm n ASP 50 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1vdm s ILE 51 N -3.20 3.18 0.40 0.53 -4.36 -0.87 -4.94 121.20 111.93 1vdm s ILE 51 Ca 0.63 0.51 -0.26 0.00 -0.26 0.00 0.00 60.65 61.27 1vdm s ILE 51 Cb -0.33 -3.02 -0.10 0.00 1.25 0.00 0.00 42.46 40.26 1vdm s ILE 51 CO 0.77 -0.37 1.22 -0.81 0.24 0.00 0.00 174.94 175.99 1vdm n PRO 52 N -2.69 1.83 -5.18 0.37 -0.04 -1.26 -4.82 135.00 123.22 1vdm n PRO 52 Ca 0.10 0.65 -0.32 0.00 -0.04 0.00 0.00 63.50 63.89 1vdm n PRO 52 Cb 0.52 -2.29 -0.17 0.00 -0.04 0.00 0.00 33.50 31.52 1vdm n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1vdm s LEU 53 N -1.29 2.16 0.22 1.53 2.96 -1.26 -1.81 118.68 121.18 1vdm s LEU 53 Ca 0.60 -0.53 0.10 0.00 -0.22 0.00 0.00 54.13 54.08 1vdm s LEU 53 Cb -0.53 -1.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1vdm s LEU 53 CO 0.58 0.17 -0.18 -0.54 -1.32 0.00 0.00 176.35 175.07 1vdm s LYS 54 N 0.26 1.44 0.08 1.98 1.02 -0.30 -4.98 119.74 119.24 1vdm s LYS 54 Ca -0.16 -1.60 0.06 0.00 0.02 0.00 0.00 55.97 54.30 1vdm s LYS 54 Cb -0.17 -1.43 -0.03 0.00 -0.52 0.00 0.00 37.83 35.68 1vdm s LYS 54 CO 0.08 0.27 -0.17 0.08 -0.92 0.00 0.00 175.35 174.69 1vdm s VAL 55 N -2.50 1.33 -0.08 3.17 1.01 -1.26 -1.65 120.40 120.41 1vdm s VAL 55 Ca 0.23 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 1vdm s VAL 55 Cb -0.04 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.13 1vdm s VAL 55 CO 0.10 -0.15 0.18 -0.51 0.00 0.00 0.00 175.10 174.72 1vdm s ILE 56 N -1.21 -0.03 -0.15 2.22 2.07 -1.06 -4.06 121.20 118.99 1vdm s ILE 56 Ca 0.01 0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.37 1vdm s ILE 56 Cb -0.10 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.23 1vdm s ILE 56 CO 0.03 0.04 -0.17 -0.62 -1.91 0.00 0.00 174.94 172.31 1vdm s ASP 57 N 0.79 2.81 -0.16 4.50 3.68 -0.36 -0.52 116.67 127.39 1vdm s ASP 57 Ca -0.06 -0.53 0.01 0.00 2.13 0.00 0.00 52.55 54.11 1vdm s ASP 57 Cb -0.07 -1.27 0.02 0.00 -1.45 0.00 0.00 42.92 40.14 1vdm s ASP 57 CO -0.04 -0.00 -0.20 -0.69 0.13 0.00 0.00 175.17 174.37 1vdm s VAL 58 N 1.21 1.97 0.10 1.11 1.01 -1.26 -0.19 120.40 124.35 1vdm s VAL 58 Ca 0.00 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.18 1vdm s VAL 58 Cb -0.14 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1vdm s VAL 58 CO -0.08 0.53 -0.23 -0.54 0.00 0.00 0.00 175.10 174.78 1vdm s LYS 59 N 1.18 1.65 -0.15 2.72 3.01 -0.18 -4.94 119.74 123.03 1vdm s LYS 59 Ca 0.01 -1.22 -0.01 0.00 -1.01 0.00 0.00 55.97 53.74 1vdm s LYS 59 Cb -0.14 -2.01 -0.01 0.00 -1.01 0.00 0.00 37.83 34.66 1vdm s LYS 59 CO -0.09 0.48 -0.11 -0.06 0.51 0.00 0.00 175.35 176.08 1vdm s PHE 60 N -1.03 2.86 -0.10 3.18 0.40 -1.26 0.77 117.98 122.79 1vdm s PHE 60 Ca 0.15 -0.68 0.03 0.00 -0.60 0.00 0.00 56.93 55.82 1vdm s PHE 60 Cb -0.10 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 1vdm s PHE 60 CO 0.07 -0.26 -0.18 0.71 0.70 0.00 0.00 175.22 176.25 1vdm s TYR 61 N 0.55 2.66 0.65 0.36 4.12 -0.87 -4.94 117.35 119.87 1vdm s TYR 61 Ca -0.07 -0.72 -0.11 0.00 0.02 0.00 0.00 57.07 56.19 1vdm s TYR 61 Cb -0.15 -1.74 -0.02 0.00 -1.52 0.00 0.00 41.96 38.53 1vdm s TYR 61 CO 0.03 -0.23 1.04 0.15 0.02 0.00 0.00 175.55 176.57 1vdm s LYS 62 N 0.13 3.34 0.45 -0.62 3.01 -1.26 -2.05 119.74 122.74 1vdm s LYS 62 Ca -0.09 0.85 -0.23 0.00 -1.01 0.00 0.00 55.97 55.48 1vdm s LYS 62 Cb -0.16 -2.04 -0.08 0.00 -1.01 0.00 0.00 37.83 34.55 1vdm s LYS 62 CO 0.06 -0.78 1.18 1.03 0.51 0.00 0.00 175.35 177.35 1vdm s ARG 67 N -5.07 3.80 0.00 1.68 0.52 -1.26 -5.00 118.95 113.62 1vdm s ARG 67 Ca 0.57 1.83 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 1vdm s ARG 67 Cb -0.12 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1vdm s ARG 67 CO 0.53 -0.53 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1vdm n GLY 68 N 0.51 1.38 3.62 -3.53 0.00 -1.26 -5.01 105.19 100.91 1vdm n GLY 68 Ca 0.07 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 1vdm n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vdm s GLU 69 N -4.06 4.00 -0.12 1.61 2.02 -1.26 -4.96 118.70 115.93 1vdm s GLU 69 Ca 0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.68 1vdm s GLU 69 Cb 0.00 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 1vdm s GLU 69 CO 0.00 -0.01 -0.08 0.15 0.02 0.00 0.00 175.26 175.34 1vdm s LYS 70 N 1.24 3.34 0.38 1.61 3.01 -0.87 -4.90 119.74 123.55 1vdm s LYS 70 Ca 0.07 -0.59 -0.26 0.00 -1.01 0.00 0.00 55.97 54.18 1vdm s LYS 70 Cb -0.14 -2.72 -0.09 0.00 -1.01 0.00 0.00 37.83 33.87 1vdm s LYS 70 CO 0.06 0.33 1.12 -1.25 0.51 0.00 0.00 175.35 176.12 1vdm s PRO 71 N 0.08 4.19 -0.03 -1.68 0.04 -1.26 -2.05 135.00 134.28 1vdm s PRO 71 Ca -0.03 1.73 0.05 0.00 0.04 0.00 0.00 61.00 62.78 1vdm s PRO 71 Cb -0.14 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1vdm s PRO 71 CO 0.04 -0.17 -0.17 0.08 0.04 0.00 0.00 177.00 176.81 1vdm s VAL 72 N -1.45 1.42 -0.94 -0.36 1.01 0.23 -4.95 120.40 115.36 1vdm s VAL 72 Ca 0.55 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1vdm s VAL 72 Cb -0.28 -1.21 0.14 0.00 0.00 0.00 0.00 36.38 35.03 1vdm s VAL 72 CO 0.35 0.41 1.11 -0.63 0.00 0.00 0.00 175.10 176.34 1vdm s ILE 73 N -0.09 4.84 0.11 2.22 -1.09 -1.26 -1.01 121.20 124.93 1vdm s ILE 73 Ca -0.01 -1.74 -0.22 0.00 -2.23 0.00 0.00 60.65 56.45 1vdm s ILE 73 Cb -0.10 -4.76 -0.07 0.00 -1.58 0.00 0.00 42.46 35.95 1vdm s ILE 73 CO 0.01 -1.47 1.71 0.74 -1.23 0.00 0.00 174.94 174.70 1vdm h THR 74 N 5.65 0.81 -3.47 2.92 2.02 -0.94 -3.40 112.91 116.50 1vdm h THR 74 Ca 0.16 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.76 1vdm h THR 74 Cb 1.02 0.81 -0.38 0.00 -1.74 0.00 0.00 68.15 67.86 1vdm h THR 74 CO 1.08 0.00 -0.79 -0.63 0.37 0.00 0.00 175.52 175.55 1vdm s ILE 75 N -6.18 1.26 0.64 3.11 1.01 -1.18 -4.94 121.20 114.92 1vdm s ILE 75 Ca -0.14 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 1vdm s ILE 75 Cb 0.09 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1vdm s ILE 75 CO 0.67 -0.02 1.04 -2.16 0.00 0.00 0.00 174.94 174.47 1vdm s PRO 76 N 1.54 3.42 -0.24 2.79 0.04 -1.26 -1.23 135.00 140.06 1vdm s PRO 76 Ca -0.03 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 1vdm s PRO 76 Cb -0.17 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1vdm s PRO 76 CO -0.07 -0.71 1.02 0.42 0.04 0.00 0.00 177.00 177.70 1vdm s ILE 77 N -3.14 4.68 0.06 0.56 1.01 -1.26 -4.77 121.20 118.35 1vdm s ILE 77 Ca 0.56 1.96 -0.22 0.00 0.00 0.00 0.00 60.65 62.96 1vdm s ILE 77 Cb -0.12 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1vdm s ILE 77 CO 0.54 -0.19 0.64 -1.00 0.00 0.00 0.00 174.94 174.93 1vdm s HIS 78 N 3.20 3.78 0.00 3.97 3.76 -1.26 -4.91 115.29 123.83 1vdm s HIS 78 Ca 0.43 1.35 0.00 0.00 -0.15 0.00 0.00 55.06 56.69 1vdm s HIS 78 Cb -0.15 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 30.92 1vdm s HIS 78 CO 0.07 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.83 1vdm n GLY 79 N 2.00 -1.80 3.51 -2.22 0.00 -1.26 -5.03 105.19 100.39 1vdm n GLY 79 Ca -0.07 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 1vdm n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1vdm s ASP 80 N -4.00 2.82 -0.08 1.61 -4.77 -1.26 -5.02 116.67 105.97 1vdm s ASP 80 Ca 0.00 -1.41 0.15 0.00 -3.30 0.00 0.00 52.55 47.99 1vdm s ASP 80 Cb 0.00 -0.08 0.32 0.00 -1.09 0.00 0.00 42.92 42.07 1vdm s ASP 80 CO 0.00 -0.61 1.15 0.18 0.70 0.00 0.00 175.17 176.59 1vdm n LEU 81 N -0.79 1.50 -4.69 2.11 4.77 -1.06 -5.02 117.00 113.82 1vdm n LEU 81 Ca -0.04 -2.52 -0.44 0.00 -0.03 0.00 0.00 56.01 52.99 1vdm n LEU 81 Cb 0.67 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1vdm n LEU 81 CO 0.43 0.74 1.40 0.29 -1.33 0.00 0.00 177.39 178.92 1vdm n LYS 82 N -0.37 2.60 -0.12 3.23 5.02 -1.19 -1.78 118.16 125.56 1vdm n LYS 82 Ca 0.10 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 1vdm n LYS 82 Cb 0.85 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1vdm n LYS 82 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vdm n ASP 83 N 4.88 0.00 -4.75 4.39 -0.08 -1.16 -4.84 116.55 114.99 1vdm n ASP 83 Ca 0.18 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 53.06 1vdm n ASP 83 Cb 0.34 -0.62 -0.06 0.00 2.34 0.00 0.00 41.12 43.12 1vdm n ASP 83 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1vdm s LYS 84 N -0.06 4.69 -0.45 -0.67 1.02 -0.73 -4.56 119.74 118.98 1vdm s LYS 84 Ca 0.00 1.32 -0.28 0.00 0.02 0.00 0.00 55.97 57.03 1vdm s LYS 84 Cb 0.00 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 34.03 1vdm s LYS 84 CO 0.00 0.44 1.09 1.03 -0.92 0.00 0.00 175.35 177.00 1vdm s ARG 85 N -0.78 3.75 0.18 1.68 0.52 -1.26 -1.31 118.95 121.74 1vdm s ARG 85 Ca 0.40 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 56.20 1vdm s ARG 85 Cb -0.24 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 1vdm s ARG 85 CO 0.29 -1.28 0.36 0.08 0.02 0.00 0.00 175.30 174.77 1vdm s VAL 86 N 4.22 5.24 -0.06 3.52 1.01 0.13 -0.65 120.40 133.81 1vdm s VAL 86 Ca 0.46 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1vdm s VAL 86 Cb -0.08 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1vdm s VAL 86 CO 0.28 -0.14 0.02 -0.69 0.00 0.00 0.00 175.10 174.57 1vdm s VAL 87 N -1.83 0.19 -0.19 2.92 1.01 -0.93 -1.79 120.40 119.79 1vdm s VAL 87 Ca 0.37 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 1vdm s VAL 87 Cb -0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1vdm s VAL 87 CO 0.29 0.23 0.42 -0.63 0.00 0.00 0.00 175.10 175.41 1vdm s ILE 88 N 2.05 5.19 -0.08 2.22 1.01 0.54 0.14 121.20 132.27 1vdm s ILE 88 Ca 0.05 0.77 0.01 0.00 0.00 0.00 0.00 60.65 61.48 1vdm s ILE 88 Cb -0.12 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1vdm s ILE 88 CO -0.04 0.26 -0.09 -0.69 0.00 0.00 0.00 174.94 174.37 1vdm s VAL 89 N 1.23 3.47 0.13 2.92 1.01 0.11 -1.37 120.40 127.90 1vdm s VAL 89 Ca 0.21 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1vdm s VAL 89 Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1vdm s VAL 89 CO 0.08 0.57 0.34 -0.62 0.00 0.00 0.00 175.10 175.48 1vdm s ASP 90 N -0.49 -0.10 0.04 3.32 -1.08 -1.01 -1.27 116.67 116.07 1vdm s ASP 90 Ca 0.07 -0.51 -0.16 0.00 -0.52 0.00 0.00 52.55 51.42 1vdm s ASP 90 Cb -0.12 0.45 -0.27 0.00 -1.46 0.00 0.00 42.92 41.52 1vdm s ASP 90 CO 0.02 -0.85 1.10 -2.24 0.52 0.00 0.00 175.17 173.72 1vdm h ASP 91 N 2.47 0.78 -4.21 -0.34 -0.00 -1.88 -3.05 116.42 110.19 1vdm h ASP 91 Ca -0.33 -0.80 -0.10 0.00 -0.00 0.00 0.00 57.03 55.80 1vdm h ASP 91 Cb 1.24 -0.24 -0.22 0.00 -0.00 0.00 0.00 39.33 40.10 1vdm h ASP 91 CO 0.48 1.49 -0.15 0.54 -0.00 0.00 0.00 179.24 181.60 1vdm s VAL 92 N -3.07 0.01 -0.55 4.15 0.11 -1.26 -0.47 120.40 119.32 1vdm s VAL 92 Ca -0.11 -0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 58.69 1vdm s VAL 92 Cb 0.05 -0.68 0.13 0.00 -1.53 0.00 0.00 36.38 34.34 1vdm s VAL 92 CO 0.90 -0.05 0.52 -0.55 -3.33 0.00 0.00 175.10 172.58 1vdm s SER 93 N -0.17 6.20 0.00 3.54 0.15 -0.61 -4.92 113.70 117.88 1vdm s SER 93 Ca -0.04 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 54.83 1vdm s SER 93 Cb -0.03 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1vdm s SER 93 CO 0.02 -0.87 0.00 -0.67 1.20 0.00 0.00 173.24 172.92 1vdm n ASP 94 N 5.30 0.00 -0.07 5.45 4.64 -1.26 -1.20 116.55 129.41 1vdm n ASP 94 Ca -0.13 0.15 -0.04 0.00 -1.38 0.00 0.00 54.79 53.39 1vdm n ASP 94 Cb 0.40 -0.35 -0.16 0.00 -1.04 0.00 0.00 41.12 39.97 1vdm n ASP 94 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1vdm n THR 95 N -1.92 0.98 -0.69 5.18 -2.24 -1.26 -3.24 114.28 111.08 1vdm n THR 95 Ca 0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1vdm n THR 95 Cb 0.00 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1vdm n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vdm n GLY 96 N 1.62 0.58 0.17 3.38 0.00 -1.26 -1.61 105.19 108.07 1vdm n GLY 96 Ca -0.24 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 1vdm n GLY 96 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vdm h LYS 97 N 0.22 0.54 0.01 1.61 3.64 -1.99 -2.57 116.57 118.04 1vdm h LYS 97 Ca 0.00 -0.44 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1vdm h LYS 97 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1vdm h LYS 97 CO 0.00 1.06 -0.01 1.15 -2.27 0.00 0.00 179.45 179.39 1vdm h THR 98 N 0.15 1.46 -0.80 1.00 2.02 -1.98 -3.17 112.91 111.59 1vdm h THR 98 Ca -0.03 -1.49 0.17 0.00 0.77 0.00 0.00 66.41 65.84 1vdm h THR 98 Cb 1.15 2.46 -0.05 0.00 -1.74 0.00 0.00 68.15 69.97 1vdm h THR 98 CO 0.11 0.38 0.54 -0.07 0.37 0.00 0.00 175.52 176.85 1vdm h LEU 99 N -0.66 0.36 -0.73 2.58 3.38 -1.97 0.16 115.31 118.43 1vdm h LEU 99 Ca -0.00 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1vdm h LEU 99 Cb 0.64 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1vdm h LEU 99 CO 0.00 0.17 -0.51 -0.33 0.09 0.00 0.00 178.44 177.86 1vdm h GLU 100 N 0.37 0.00 -0.09 1.13 5.08 -1.49 0.51 114.58 120.09 1vdm h GLU 100 Ca 0.40 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.53 1vdm h GLU 100 Cb 1.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.28 1vdm h GLU 100 CO -0.13 0.51 -0.85 0.28 -1.00 0.00 0.00 179.01 177.82 1vdm h VAL 101 N 0.00 1.30 0.04 3.13 2.07 -0.71 -2.97 116.25 119.11 1vdm h VAL 101 Ca -0.01 -2.11 -0.00 0.00 0.82 0.00 0.00 66.70 65.40 1vdm h VAL 101 Cb 1.07 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1vdm h VAL 101 CO 0.07 0.66 -0.02 0.58 0.02 0.00 0.00 177.57 178.87 1vdm h VAL 102 N 0.44 1.18 -0.65 2.57 2.07 -1.00 -1.91 116.25 118.95 1vdm h VAL 102 Ca -0.07 -0.73 0.14 0.00 0.82 0.00 0.00 66.70 66.86 1vdm h VAL 102 Cb 1.48 1.67 -0.12 0.00 -1.52 0.00 0.00 31.29 32.80 1vdm h VAL 102 CO 0.17 0.18 -0.06 0.40 0.02 0.00 0.00 177.57 178.28 1vdm h ILE 103 N -0.37 0.41 -0.61 4.57 2.04 -0.95 0.98 117.51 123.58 1vdm h ILE 103 Ca -0.01 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 1vdm h ILE 103 Cb 0.34 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1vdm h ILE 103 CO 0.01 0.01 0.09 -0.33 0.00 0.00 0.00 178.15 177.93 1vdm h GLU 104 N 0.07 1.01 0.00 2.37 5.08 -1.47 -1.78 114.58 119.86 1vdm h GLU 104 Ca 0.34 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1vdm h GLU 104 Cb 0.55 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1vdm h GLU 104 CO -0.61 0.95 -0.19 1.49 -1.00 0.00 0.00 179.01 179.65 1vdm h GLU 105 N 0.92 0.00 0.16 2.33 4.57 -0.24 -1.08 114.58 121.23 1vdm h GLU 105 Ca 0.18 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.06 1vdm h GLU 105 Cb 0.44 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1vdm h GLU 105 CO 0.01 0.19 -1.30 0.28 -1.18 0.00 0.00 179.01 177.01 1vdm h VAL 106 N 0.00 1.28 -0.26 0.32 2.07 -0.65 -3.23 116.25 115.79 1vdm h VAL 106 Ca -0.00 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 64.99 1vdm h VAL 106 Cb 0.36 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1vdm h VAL 106 CO 0.02 0.76 0.11 0.11 0.02 0.00 0.00 177.57 178.60 1vdm h LYS 107 N 0.23 0.35 0.00 1.57 1.57 -0.62 0.25 116.57 119.92 1vdm h LYS 107 Ca -0.21 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1vdm h LYS 107 Cb 1.98 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 34.22 1vdm h LYS 107 CO 0.25 0.29 -0.09 0.87 -0.57 0.00 0.00 179.45 180.19 1vdm h LYS 108 N 0.35 0.00 0.00 3.15 1.57 -1.24 -2.88 116.57 117.53 1vdm h LYS 108 Ca 0.09 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1vdm h LYS 108 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1vdm h LYS 108 CO -0.01 0.09 -1.03 -0.07 -0.57 0.00 0.00 179.45 177.85 1vdm h LEU 109 N 0.00 0.00 0.00 2.94 3.38 -0.59 -3.48 115.31 117.56 1vdm h LEU 109 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vdm h LEU 109 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1vdm h LEU 109 CO 0.01 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.55 1vdm n GLY 110 N 1.29 1.96 3.67 0.83 0.00 -0.92 -2.56 105.19 109.46 1vdm n GLY 110 Ca -0.04 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.49 1vdm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdm n ALA 111 N -0.62 0.80 0.06 4.61 0.00 -1.17 -2.98 120.51 121.21 1vdm n ALA 111 Ca 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.71 1vdm n ALA 111 Cb 0.00 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.03 1vdm n ALA 111 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1vdm h LYS 112 N 7.11 -0.14 -3.56 0.00 3.64 -1.24 -3.44 116.57 118.94 1vdm h LYS 112 Ca -0.47 0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 58.66 1vdm h LYS 112 Cb 1.27 0.03 -0.31 0.00 -0.41 0.00 0.00 32.23 32.82 1vdm h LYS 112 CO 0.90 -0.09 -0.70 -2.00 -2.27 0.00 0.00 179.45 175.29 1vdm s GLU 113 N -6.17 0.00 -0.11 1.90 2.12 -1.21 -5.00 118.70 110.23 1vdm s GLU 113 Ca -0.14 0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.33 1vdm s GLU 113 Cb 0.07 -0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 1vdm s GLU 113 CO 0.66 -0.10 -0.08 0.42 -0.54 0.00 0.00 175.26 175.63 1vdm s ILE 114 N 0.63 3.54 0.03 -3.70 1.01 -1.26 0.19 121.20 121.64 1vdm s ILE 114 Ca -0.05 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1vdm s ILE 114 Cb -0.07 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1vdm s ILE 114 CO -0.02 0.55 -0.09 -0.75 0.00 0.00 0.00 174.94 174.62 1vdm s LYS 115 N -0.13 0.62 -0.10 2.79 2.47 -0.74 -4.99 119.74 119.66 1vdm s LYS 115 Ca 0.01 -0.64 0.04 0.00 -1.56 0.00 0.00 55.97 53.82 1vdm s LYS 115 Cb -0.13 -0.51 0.00 0.00 -1.46 0.00 0.00 37.83 35.73 1vdm s LYS 115 CO 0.03 0.12 -0.24 0.42 0.16 0.00 0.00 175.35 175.84 1vdm s ILE 116 N -0.95 2.03 -0.05 5.43 1.01 -1.26 -0.34 121.20 127.07 1vdm s ILE 116 Ca -0.04 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.65 1vdm s ILE 116 Cb -0.08 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 1vdm s ILE 116 CO 0.01 0.55 -0.18 0.00 0.00 0.00 0.00 174.94 175.32 1vdm s ALA 117 N 0.36 1.62 0.05 9.38 0.00 -0.47 0.41 121.76 133.11 1vdm s ALA 117 Ca -0.19 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1vdm s ALA 117 Cb -0.18 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1vdm s ALA 117 CO 0.09 0.28 -0.05 0.00 0.00 0.00 0.00 175.76 176.07 1vdm h LEU 119 N 3.91 0.86 -8.60 0.00 3.38 -1.24 -3.25 115.31 110.38 1vdm h LEU 119 Ca -0.34 -0.56 -0.25 0.00 0.09 0.00 0.00 57.88 56.81 1vdm h LEU 119 Cb 1.18 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 1vdm h LEU 119 CO 0.51 1.27 -0.65 0.00 0.09 0.00 0.00 178.44 179.66 1vdm s ALA 120 N -4.01 1.20 -0.04 1.53 0.00 0.38 0.31 121.76 121.13 1vdm s ALA 120 Ca -0.11 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 1vdm s ALA 120 Cb 0.09 0.78 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1vdm s ALA 120 CO 0.87 -0.42 0.36 1.41 0.00 0.00 0.00 175.76 177.99 1vdm s MET 121 N -4.00 0.69 -0.13 0.00 1.75 -0.39 -1.57 119.30 115.65 1vdm s MET 121 Ca 0.27 -0.04 -0.02 0.00 -1.25 0.00 0.00 55.69 54.64 1vdm s MET 121 Cb 0.07 0.31 -0.03 0.00 2.84 0.00 0.00 34.83 38.02 1vdm s MET 121 CO 0.05 -0.18 -0.04 0.15 -0.65 0.00 0.00 175.02 174.34 1vdm s LYS 122 N -1.11 3.41 0.46 4.11 1.02 -0.34 -2.77 119.74 124.53 1vdm s LYS 122 Ca -0.12 -0.52 0.34 0.00 0.02 0.00 0.00 55.97 55.70 1vdm s LYS 122 Cb -0.04 -2.83 1.49 0.00 -0.52 0.00 0.00 37.83 35.93 1vdm s LYS 122 CO 0.04 0.37 1.62 -1.35 -0.92 0.00 0.00 175.35 175.11 1vdm h PRO 123 N 6.25 0.06 -0.55 -1.68 0.11 -1.89 0.20 132.00 134.50 1vdm h PRO 123 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1vdm h PRO 123 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1vdm h PRO 123 CO 0.60 0.04 0.00 -2.67 -0.21 0.00 0.00 178.00 175.75 1vdm n TRP 124 N -4.55 0.73 -1.99 0.65 2.14 -1.26 -4.96 117.44 108.20 1vdm n TRP 124 Ca 0.38 -0.30 -0.32 0.00 2.07 0.00 0.00 57.50 59.34 1vdm n TRP 124 Cb 1.54 -0.13 0.01 0.00 -0.81 0.00 0.00 31.31 31.92 1vdm n TRP 124 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1vdm s THR 125 N -1.66 4.01 -1.66 -1.67 -1.32 0.06 -4.84 115.64 108.56 1vdm s THR 125 Ca 0.26 0.87 0.24 0.00 -1.21 0.00 0.00 61.69 61.85 1vdm s THR 125 Cb 0.16 -3.46 0.08 0.00 -1.51 0.00 0.00 72.50 67.77 1vdm s THR 125 CO 0.13 -0.64 1.31 -1.54 -2.21 0.00 0.00 174.62 171.67 1vdm n SER 126 N -2.23 1.28 -3.75 8.08 3.41 -0.64 -4.63 113.62 115.15 1vdm n SER 126 Ca 0.08 -1.02 -0.30 0.00 -0.26 0.00 0.00 58.87 57.37 1vdm n SER 126 Cb 0.53 0.37 -0.13 0.00 -0.26 0.00 0.00 64.21 64.72 1vdm n SER 126 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1vdm s VAL 127 N -2.62 1.46 -0.10 -3.33 1.01 -1.26 -5.01 120.40 110.55 1vdm s VAL 127 Ca 0.19 -2.44 -0.30 0.00 0.00 0.00 0.00 61.98 59.43 1vdm s VAL 127 Cb 0.18 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1vdm s VAL 127 CO 0.60 -0.84 1.34 -0.69 0.00 0.00 0.00 175.10 175.51 1vdm s VAL 128 N 0.51 4.06 0.65 2.92 1.01 -1.26 -4.88 120.40 123.39 1vdm s VAL 128 Ca 0.16 1.33 -0.18 0.00 0.00 0.00 0.00 61.98 63.29 1vdm s VAL 128 Cb -0.23 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1vdm s VAL 128 CO -0.03 -0.07 1.29 -2.84 0.00 0.00 0.00 175.10 173.44 1vdm s PRO 129 N 3.15 2.57 0.35 2.72 0.02 -1.26 -4.90 135.00 137.64 1vdm s PRO 129 Ca 0.60 2.06 0.19 0.00 0.02 0.00 0.00 61.00 63.86 1vdm s PRO 129 Cb -0.26 -1.85 0.42 0.00 0.02 0.00 0.00 34.50 32.84 1vdm s PRO 129 CO 0.21 -1.58 1.61 -0.44 -0.33 0.00 0.00 177.00 176.46 1vdm h ASP 130 N 0.56 0.00 -3.43 2.53 5.19 -0.42 -3.43 116.42 117.42 1vdm h ASP 130 Ca -0.51 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.64 1vdm h ASP 130 Cb 1.34 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.52 1vdm h ASP 130 CO 0.53 0.36 -0.64 -0.31 -3.12 0.00 0.00 179.24 176.07 1vdm s TYR 131 N -3.27 -0.11 0.10 4.55 1.51 -0.60 -5.00 117.35 114.52 1vdm s TYR 131 Ca 0.03 0.40 -0.22 0.00 -1.01 0.00 0.00 57.07 56.26 1vdm s TYR 131 Cb 0.09 -0.15 0.06 0.00 -0.11 0.00 0.00 41.96 41.85 1vdm s TYR 131 CO 0.70 -0.15 0.54 1.52 -1.11 0.00 0.00 175.55 177.04 1vdm s TYR 132 N 1.25 -0.44 -0.05 2.71 -0.85 -1.25 0.01 117.35 118.74 1vdm s TYR 132 Ca -0.08 0.35 -0.06 0.00 -0.52 0.00 0.00 57.07 56.76 1vdm s TYR 132 Cb -0.12 0.41 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 1vdm s TYR 132 CO -0.05 -0.73 -0.12 0.28 -1.52 0.00 0.00 175.55 173.40 1vdm n VAL 133 N 0.02 0.95 -3.32 -3.49 0.31 -0.77 -5.01 118.33 107.01 1vdm n VAL 133 Ca -0.17 0.10 -0.38 0.00 -0.01 0.00 0.00 64.34 63.87 1vdm n VAL 133 Cb 0.63 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 1vdm n VAL 133 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1vdm s PHE 134 N -2.25 3.72 -0.11 3.52 0.40 0.15 -4.99 117.98 118.42 1vdm s PHE 134 Ca -0.12 1.14 0.01 0.00 -0.60 0.00 0.00 56.93 57.36 1vdm s PHE 134 Cb 0.03 -2.48 0.02 0.00 0.51 0.00 0.00 43.02 41.11 1vdm s PHE 134 CO 0.16 0.50 -0.12 0.50 0.70 0.00 0.00 175.22 176.96 1vdm s ARG 135 N -0.68 1.97 0.06 0.44 3.52 -1.26 -1.26 118.95 121.73 1vdm s ARG 135 Ca 0.28 -0.45 -0.27 0.00 -0.13 0.00 0.00 55.73 55.15 1vdm s ARG 135 Cb -0.18 -1.79 0.09 0.00 -1.56 0.00 0.00 34.95 31.51 1vdm s ARG 135 CO 0.16 -0.15 0.96 -0.08 -0.81 0.00 0.00 175.30 175.38 1vdm s THR 136 N 1.26 0.00 -0.10 4.11 -1.32 -1.11 -5.01 115.64 113.47 1vdm s THR 136 Ca -0.02 -0.30 0.10 0.00 -1.21 0.00 0.00 61.69 60.26 1vdm s THR 136 Cb -0.14 -1.49 -0.14 0.00 -1.51 0.00 0.00 72.50 69.22 1vdm s THR 136 CO -0.05 0.00 0.25 -0.62 -2.21 0.00 0.00 174.62 171.99 1vdm n GLU 137 N -0.35 1.00 -0.42 7.08 1.02 -1.26 -4.13 120.64 123.58 1vdm n GLU 137 Ca -0.07 -0.07 -0.29 0.00 -0.02 0.00 0.00 57.16 56.71 1vdm n GLU 137 Cb 0.61 -1.18 0.27 0.00 -0.02 0.00 0.00 31.44 31.13 1vdm n GLU 137 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vdm n LYS 138 N -1.72 -3.06 -2.48 3.49 5.02 -1.26 -4.93 118.16 113.22 1vdm n LYS 138 Ca -0.01 -0.88 -0.43 0.00 -2.02 0.00 0.00 58.31 54.98 1vdm n LYS 138 Cb 0.23 -2.10 -0.02 0.00 -0.02 0.00 0.00 35.03 33.13 1vdm n LYS 138 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1vdm s TRP 139 N -2.33 3.06 -0.23 2.13 -0.11 -1.24 -4.91 118.94 115.31 1vdm s TRP 139 Ca 0.68 1.17 -0.08 0.00 1.22 0.00 0.00 56.10 59.08 1vdm s TRP 139 Cb -0.23 -3.43 -0.04 0.00 -1.50 0.00 0.00 33.47 28.27 1vdm s TRP 139 CO 0.64 -1.34 0.10 0.42 -4.62 0.00 0.00 176.95 172.16 1vdm s ILE 140 N 2.94 4.80 -0.40 5.86 1.01 -1.26 -0.09 121.20 134.07 1vdm s ILE 140 Ca 0.53 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 61.09 1vdm s ILE 140 Cb -0.22 -3.23 0.07 0.00 0.01 0.00 0.00 42.46 39.09 1vdm s ILE 140 CO 0.16 0.36 0.22 -0.69 0.00 0.00 0.00 174.94 175.00 1vdm s VAL 141 N 1.14 4.12 0.39 2.92 1.01 0.53 -4.95 120.40 125.57 1vdm s VAL 141 Ca 0.05 -1.34 -0.23 0.00 0.00 0.00 0.00 61.98 60.46 1vdm s VAL 141 Cb -0.14 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 1vdm s VAL 141 CO 0.04 -0.43 0.99 -0.36 0.00 0.00 0.00 175.10 175.34 1vdm s PHE 142 N 1.42 3.39 0.51 5.22 0.40 -1.26 -2.11 117.98 125.55 1vdm s PHE 142 Ca 0.02 1.67 0.38 0.00 -0.60 0.00 0.00 56.93 58.40 1vdm s PHE 142 Cb -0.22 -2.98 1.54 0.00 0.51 0.00 0.00 43.02 41.87 1vdm s PHE 142 CO 0.02 -0.24 1.70 -1.35 0.70 0.00 0.00 175.22 176.05 1vdm h PRO 143 N 2.46 0.06 0.00 0.24 0.11 -1.89 0.34 132.00 133.31 1vdm h PRO 143 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1vdm h PRO 143 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vdm h PRO 143 CO 0.62 0.04 -0.24 -2.67 -0.21 0.00 0.00 178.00 175.55 1vdm n TRP 144 N -4.25 0.50 -2.37 0.65 2.14 -1.26 -4.85 117.44 108.00 1vdm n TRP 144 Ca 0.33 0.14 -0.29 0.00 2.07 0.00 0.00 57.50 59.76 1vdm n TRP 144 Cb 1.46 -0.67 0.00 0.00 -0.81 0.00 0.00 31.31 31.29 1vdm n TRP 144 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1vdm s GLU 145 N -3.08 3.54 0.12 -2.67 2.02 0.12 -5.05 118.70 113.69 1vdm s GLU 145 Ca 0.10 0.38 -0.25 0.00 0.02 0.00 0.00 54.97 55.22 1vdm s GLU 145 Cb 0.15 -2.27 -0.07 0.00 0.10 0.00 0.00 34.13 32.04 1vdm s GLU 145 CO 0.63 -0.34 0.78 -2.00 0.02 0.00 0.00 175.26 174.34 1vdm s GLU 146 N -4.90 4.54 -0.19 1.61 2.12 -1.26 -4.86 118.70 115.76 1vdm s GLU 146 Ca 0.50 1.13 -0.29 0.00 0.36 0.00 0.00 54.97 56.67 1vdm s GLU 146 Cb -0.11 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 1vdm s GLU 146 CO 0.48 0.45 1.63 -0.06 -0.54 0.00 0.00 175.26 177.22 1vdm s PHE 147 N -0.69 2.07 0.42 5.30 0.40 -1.26 -4.96 117.98 119.26 1vdm s PHE 147 Ca 0.37 0.50 -0.25 0.00 -0.60 0.00 0.00 56.93 56.95 1vdm s PHE 147 Cb -0.22 -3.96 -0.08 0.00 0.51 0.00 0.00 43.02 39.27 1vdm s PHE 147 CO 0.25 -3.09 1.28 -2.14 0.70 0.00 0.00 175.22 172.22 1vdm s PRO 148 N 4.60 3.89 -0.09 0.24 0.02 -1.26 -5.02 135.00 137.38 1vdm s PRO 148 Ca 0.72 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1vdm s PRO 148 Cb -0.26 -2.67 -0.03 0.00 0.02 0.00 0.00 34.50 31.56 1vdm s PRO 148 CO 0.29 -0.54 -0.09 0.08 -0.33 0.00 0.00 177.00 176.42 1vdm s VAL 149 N -1.31 3.52 -0.22 3.83 1.01 -1.26 -5.09 120.40 120.88 1vdm s VAL 149 Ca 0.59 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 1vdm s VAL 149 Cb -0.37 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1vdm s VAL 149 CO 0.46 0.57 0.32 -0.63 0.00 0.00 0.00 175.10 175.82 1vdm s ILE 150 N -0.40 5.25 0.45 2.22 1.09 -1.26 -5.07 121.20 123.48 1vdm s ILE 150 Ca 0.05 0.52 0.06 0.00 -1.10 0.00 0.00 60.65 60.19 1vdm s ILE 150 Cb -0.12 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1vdm s ILE 150 CO 0.02 0.28 0.18 -1.61 -0.10 0.00 0.00 174.94 173.71 1vdm s GLU 151 N 1.26 2.21 -0.13 2.79 2.02 -1.26 -5.11 118.70 120.48 1vdm s GLU 151 Ca 0.15 -1.97 -0.26 0.00 0.02 0.00 0.00 54.97 52.91 1vdm s GLU 151 Cb -0.14 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 1vdm s GLU 151 CO 0.07 -0.22 0.85 0.15 0.02 0.00 0.00 175.26 176.12 1vdm s LYS 152 N -3.95 4.36 0.00 1.61 1.02 -1.26 -5.35 119.74 116.17 1vdm s LYS 152 Ca 0.35 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.42 1vdm s LYS 152 Cb 0.03 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1vdm s LYS 152 CO 0.19 -0.25 0.00 0.39 -0.92 0.00 0.00 175.35 174.76