#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 -4.31 7.83 5.19 -2.05 -3.44 116.42 119.64 1vdm h ASP 2 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1vdm h ASP 2 Cb 0.00 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.35 1vdm h ASP 2 CO 0.00 0.12 -0.71 -0.54 -3.12 0.00 0.00 179.24 174.98 1vdm s LYS 3 N -4.62 0.91 -0.26 3.56 1.02 -1.26 -4.01 119.74 115.08 1vdm s LYS 3 Ca -0.04 -1.32 -0.07 0.00 0.02 0.00 0.00 55.97 54.56 1vdm s LYS 3 Cb 0.15 -0.45 -0.02 0.00 -0.52 0.00 0.00 37.83 37.00 1vdm s LYS 3 CO 0.65 0.04 0.07 0.08 -0.92 0.00 0.00 175.35 175.28 1vdm s VAL 4 N -3.15 4.24 -0.80 3.17 1.01 -0.22 -4.98 120.40 119.67 1vdm s VAL 4 Ca 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1vdm s VAL 4 Cb 0.02 -3.03 0.21 0.00 0.00 0.00 0.00 36.38 33.57 1vdm s VAL 4 CO -0.01 0.27 0.69 -0.31 0.00 0.00 0.00 175.10 175.74 1vdm s TYR 5 N 1.59 3.71 0.37 5.22 1.51 -1.26 -1.45 117.35 127.03 1vdm s TYR 5 Ca 0.06 -2.48 -0.28 0.00 -1.01 0.00 0.00 57.07 53.35 1vdm s TYR 5 Cb -0.16 -3.52 -0.11 0.00 -0.11 0.00 0.00 41.96 38.07 1vdm s TYR 5 CO 0.03 -0.89 1.50 -0.51 -1.11 0.00 0.00 175.55 174.56 1vdm s LEU 6 N -0.31 4.32 0.53 -1.29 1.43 -1.17 -5.01 118.68 117.19 1vdm s LEU 6 Ca 0.20 3.03 -0.02 0.00 -1.03 0.00 0.00 54.13 56.31 1vdm s LEU 6 Cb -0.13 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.43 1vdm s LEU 6 CO -0.07 -0.87 0.79 0.42 0.23 0.00 0.00 176.35 176.85 1vdm s THR 7 N -0.99 3.57 0.18 5.49 -4.23 -1.26 -3.80 115.64 114.61 1vdm s THR 7 Ca 0.54 -0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.61 1vdm s THR 7 Cb -0.46 -3.37 0.09 0.00 1.34 0.00 0.00 72.50 70.09 1vdm s THR 7 CO 0.61 -0.32 1.81 -0.50 -0.54 0.00 0.00 174.62 175.69 1vdm h TRP 8 N 0.07 0.81 -0.21 3.99 4.06 -1.96 -1.37 115.95 121.34 1vdm h TRP 8 Ca -0.45 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.50 1vdm h TRP 8 Cb 1.26 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 29.14 1vdm h TRP 8 CO 0.44 0.56 0.12 2.35 -3.56 0.00 0.00 178.44 178.34 1vdm h TRP 9 N 0.82 0.22 -0.73 0.49 7.01 -1.98 0.58 115.95 122.36 1vdm h TRP 9 Ca 0.22 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.23 1vdm h TRP 9 Cb -0.01 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 1vdm h TRP 9 CO -0.02 0.13 0.48 1.96 -2.79 0.00 0.00 178.44 178.20 1vdm h GLN 10 N 0.24 0.96 -0.22 2.65 4.20 -1.89 0.15 115.11 121.20 1vdm h GLN 10 Ca 0.08 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 1vdm h GLN 10 Cb 0.01 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1vdm h GLN 10 CO -0.05 0.63 -0.43 0.28 -0.67 0.00 0.00 178.83 178.59 1vdm h VAL 11 N 0.99 1.31 -0.41 -0.54 2.07 -0.62 -2.29 116.25 116.76 1vdm h VAL 11 Ca 0.27 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1vdm h VAL 11 Cb -0.11 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1vdm h VAL 11 CO -0.06 0.52 0.16 0.44 0.02 0.00 0.00 177.57 178.65 1vdm h ASP 12 N 0.39 0.57 -0.90 0.57 3.32 0.78 -0.80 116.42 120.34 1vdm h ASP 12 Ca 0.01 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1vdm h ASP 12 Cb 1.03 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 1vdm h ASP 12 CO 0.10 0.58 0.52 0.03 -1.72 0.00 0.00 179.24 178.75 1vdm h ARG 13 N 0.52 1.25 -0.48 3.56 2.47 -0.75 -0.91 114.38 120.03 1vdm h ARG 13 Ca 0.14 -0.13 -0.09 0.00 -1.26 0.00 0.00 59.98 58.64 1vdm h ARG 13 Cb 0.19 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 1vdm h ARG 13 CO -0.01 0.89 -0.07 0.00 0.56 0.00 0.00 179.97 181.34 1vdm h ALA 14 N 1.31 0.97 -0.59 0.04 0.00 -1.09 -1.80 119.26 118.11 1vdm h ALA 14 Ca 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1vdm h ALA 14 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1vdm h ALA 14 CO -0.06 0.61 0.27 0.82 0.00 0.00 0.00 179.25 180.90 1vdm h ILE 15 N 0.78 1.22 -0.37 0.00 2.04 -0.49 -0.44 117.51 120.25 1vdm h ILE 15 Ca 0.14 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1vdm h ILE 15 Cb 0.56 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1vdm h ILE 15 CO 0.03 0.25 0.24 -0.26 0.00 0.00 0.00 178.15 178.42 1vdm h PHE 16 N 0.80 0.46 -0.80 1.37 0.04 -0.89 0.32 116.94 118.25 1vdm h PHE 16 Ca 0.20 0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.01 1vdm h PHE 16 Cb 0.15 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.09 1vdm h PHE 16 CO 0.00 0.30 0.52 0.00 -0.60 0.00 0.00 178.31 178.52 1vdm h ALA 17 N 1.13 1.05 -0.49 2.45 0.00 -1.04 -0.24 119.26 122.12 1vdm h ALA 17 Ca 0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1vdm h ALA 17 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1vdm h ALA 17 CO -0.03 0.35 -0.12 -0.07 0.00 0.00 0.00 179.25 179.38 1vdm h LEU 18 N 1.02 0.96 -0.39 0.00 3.38 -0.71 -2.72 115.31 116.85 1vdm h LEU 18 Ca 0.31 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1vdm h LEU 18 Cb -0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1vdm h LEU 18 CO -0.10 1.10 0.22 0.00 0.09 0.00 0.00 178.44 179.74 1vdm h ALA 19 N 0.89 0.48 -0.84 1.53 0.00 -0.28 0.16 119.26 121.21 1vdm h ALA 19 Ca 0.12 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1vdm h ALA 19 Cb 0.68 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1vdm h ALA 19 CO 0.05 -0.12 0.51 1.49 0.00 0.00 0.00 179.25 181.17 1vdm h GLU 20 N 0.45 0.87 0.00 0.00 4.57 -0.92 -0.61 114.58 118.94 1vdm h GLU 20 Ca 0.16 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1vdm h GLU 20 Cb 0.02 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1vdm h GLU 20 CO -0.08 0.58 -0.12 0.87 -1.18 0.00 0.00 179.01 179.08 1vdm h LYS 21 N 0.90 0.00 0.00 1.92 1.79 -1.11 -3.09 116.57 116.98 1vdm h LYS 21 Ca 0.38 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.82 1vdm h LYS 21 Cb 0.24 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1vdm h LYS 21 CO -0.20 0.12 -0.25 -0.07 -1.08 0.00 0.00 179.45 177.97 1vdm h LEU 22 N 0.00 0.00 -0.95 2.94 3.38 0.47 -3.33 115.31 117.82 1vdm h LEU 22 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1vdm h LEU 22 Cb 0.88 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 1vdm h LEU 22 CO 0.02 0.11 0.58 0.03 0.09 0.00 0.00 178.44 179.27 1vdm h ARG 23 N 0.00 0.89 -0.31 1.13 3.08 -1.14 -0.42 114.38 117.61 1vdm h ARG 23 Ca -0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1vdm h ARG 23 Cb 1.09 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1vdm h ARG 23 CO 0.01 0.59 -0.01 1.49 -1.07 0.00 0.00 179.97 180.98 1vdm h GLU 24 N 0.92 0.48 -0.58 0.04 4.22 -1.76 -2.66 114.58 115.24 1vdm h GLU 24 Ca 0.48 -0.10 -0.10 0.00 0.08 0.00 0.00 59.36 59.71 1vdm h GLU 24 Cb 0.48 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1vdm h GLU 24 CO -0.27 0.52 -0.05 -0.92 -2.18 0.00 0.00 179.01 176.11 1vdm h TYR 25 N 0.47 1.15 -4.70 0.92 3.20 -1.28 -3.48 116.97 113.25 1vdm h TYR 25 Ca 0.10 -0.21 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 1vdm h TYR 25 Cb 0.32 -0.29 0.06 0.00 1.54 0.00 0.00 36.73 38.36 1vdm h TYR 25 CO 0.01 1.04 -0.26 1.63 -1.64 0.00 0.00 178.16 178.93 1vdm n LYS 26 N -4.16 -1.21 -1.85 1.82 5.02 -0.92 -4.97 118.16 111.88 1vdm n LYS 26 Ca 0.02 0.95 -0.39 0.00 -2.02 0.00 0.00 58.31 56.88 1vdm n LYS 26 Cb 0.37 -4.53 0.03 0.00 -0.02 0.00 0.00 35.03 30.87 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 -3.42 3.43 -0.18 1.97 0.02 -1.26 -4.85 135.00 130.71 1vdm s PRO 27 Ca 0.14 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.39 1vdm s PRO 27 Cb -0.02 -2.44 -0.22 0.00 0.02 0.00 0.00 34.50 31.85 1vdm s PRO 27 CO 0.53 -0.96 0.10 -0.25 -0.33 0.00 0.00 177.00 176.08 1vdm n ASP 28 N -0.62 1.94 -3.93 2.53 10.43 0.11 -4.98 116.55 122.03 1vdm n ASP 28 Ca 0.08 0.05 -0.12 0.00 2.57 0.00 0.00 54.79 57.37 1vdm n ASP 28 Cb 0.44 -0.56 -0.13 0.00 1.84 0.00 0.00 41.12 42.71 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 -2.54 0.14 -0.27 2.53 1.01 -1.15 -4.19 120.40 115.93 1vdm s VAL 29 Ca -0.27 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1vdm s VAL 29 Cb 0.08 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.29 1vdm s VAL 29 CO 0.70 -0.15 0.01 -0.63 0.00 0.00 0.00 175.10 175.03 1vdm s ILE 30 N -0.52 3.47 -0.85 2.22 1.01 -0.84 -2.34 121.20 123.34 1vdm s ILE 30 Ca -0.05 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 1vdm s ILE 30 Cb -0.04 -2.76 0.19 0.00 0.01 0.00 0.00 42.46 39.87 1vdm s ILE 30 CO -0.00 0.16 0.87 -0.63 0.00 0.00 0.00 174.94 175.33 1vdm s ILE 31 N 1.43 5.37 0.38 2.92 1.01 0.24 -1.17 121.20 131.37 1vdm s ILE 31 Ca 0.02 -2.22 -0.27 0.00 0.00 0.00 0.00 60.65 58.18 1vdm s ILE 31 Cb -0.17 -4.56 -0.09 0.00 0.01 0.00 0.00 42.46 37.65 1vdm s ILE 31 CO -0.01 -1.16 1.30 -0.83 0.00 0.00 0.00 174.94 174.24 1vdm s GLY 32 N 2.57 2.95 -0.23 6.18 0.00 0.21 -2.28 107.32 116.73 1vdm s GLY 32 Ca 0.22 1.23 -0.05 0.00 0.00 0.00 0.00 44.72 46.12 1vdm s GLY 32 CO -0.09 1.84 0.00 0.14 0.00 0.00 0.00 173.10 174.99 1vdm s VAL 33 N -1.22 3.76 0.33 1.40 1.01 -0.10 -2.52 120.40 123.07 1vdm s VAL 33 Ca 0.54 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 1vdm s VAL 33 Cb -0.38 -2.73 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 1vdm s VAL 33 CO 0.50 0.39 0.93 0.00 0.00 0.00 0.00 175.10 176.93 1vdm s ALA 34 N 1.47 3.20 -0.63 5.51 0.00 -0.94 -0.34 121.76 130.02 1vdm s ALA 34 Ca 0.05 0.48 0.19 0.00 0.00 0.00 0.00 51.96 52.69 1vdm s ALA 34 Cb -0.15 -3.15 -0.23 0.00 0.00 0.00 0.00 23.12 19.59 1vdm s ALA 34 CO -0.00 0.18 0.69 0.54 0.00 0.00 0.00 175.76 177.17 1vdm n ARG 35 N 0.40 0.72 -0.19 0.00 1.74 -1.26 -4.63 116.66 113.44 1vdm n ARG 35 Ca 0.02 -0.05 -0.07 0.00 -0.77 0.00 0.00 57.85 56.98 1vdm n ARG 35 Cb 0.51 -1.41 0.07 0.00 -1.02 0.00 0.00 32.46 30.60 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 4.19 1.08 -0.80 -0.13 0.00 -1.94 -3.11 103.07 102.35 1vdm h GLY 36 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1vdm h GLY 36 CO 0.00 0.70 -0.14 0.61 0.00 0.00 0.00 176.54 177.71 1vdm n GLY 37 N -0.51 0.14 0.38 4.60 0.00 0.54 -4.22 105.19 106.12 1vdm n GLY 37 Ca 0.03 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1vdm n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vdm h LEU 38 N 2.76 -1.05 -0.22 0.99 3.38 -1.52 0.55 115.31 120.19 1vdm h LEU 38 Ca 0.00 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1vdm h LEU 38 Cb 0.68 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1vdm h LEU 38 CO 0.00 -0.47 0.06 0.40 0.09 0.00 0.00 178.44 178.52 1vdm h ILE 39 N -0.66 0.92 -0.89 1.22 2.04 -1.78 0.11 117.51 118.46 1vdm h ILE 39 Ca 0.01 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1vdm h ILE 39 Cb 0.65 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1vdm h ILE 39 CO -0.16 0.03 0.53 -0.65 0.00 0.00 0.00 178.15 177.89 1vdm h PRO 40 N 0.15 1.22 -0.44 2.37 0.11 -1.73 -2.44 132.00 131.24 1vdm h PRO 40 Ca 0.10 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 1vdm h PRO 40 Cb 0.08 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 1vdm h PRO 40 CO -0.12 0.86 -0.10 0.00 -0.21 0.00 0.00 178.00 178.44 1vdm h ALA 41 N 1.34 1.00 -0.12 -0.75 0.00 0.63 0.73 119.26 122.10 1vdm h ALA 41 Ca 0.32 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1vdm h ALA 41 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vdm h ALA 41 CO -0.06 0.60 0.02 0.28 0.00 0.00 0.00 179.25 180.09 1vdm h VAL 42 N 0.71 0.94 -0.27 0.00 2.07 -0.35 -0.22 116.25 119.14 1vdm h VAL 42 Ca 0.12 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 1vdm h VAL 42 Cb 0.57 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1vdm h VAL 42 CO 0.04 0.01 -0.05 0.03 0.02 0.00 0.00 177.57 177.62 1vdm h ARG 43 N 0.06 0.50 -0.97 1.57 3.08 -1.19 -3.00 114.38 114.44 1vdm h ARG 43 Ca 0.05 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1vdm h ARG 43 Cb 0.05 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1vdm h ARG 43 CO -0.08 0.70 0.63 -0.07 -1.07 0.00 0.00 179.97 180.09 1vdm h LEU 44 N 0.26 1.04 -0.59 3.04 3.38 -0.73 -1.90 115.31 119.82 1vdm h LEU 44 Ca 0.07 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1vdm h LEU 44 Cb 0.51 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1vdm h LEU 44 CO 0.02 0.70 0.30 -1.28 0.09 0.00 0.00 178.44 178.28 1vdm h SER 45 N 1.20 0.42 0.08 -0.43 0.87 -0.90 -1.25 113.55 113.54 1vdm h SER 45 Ca 0.39 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1vdm h SER 45 Cb 0.04 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1vdm h SER 45 CO -0.13 0.28 -0.04 -0.74 -0.53 0.00 0.00 176.83 175.67 1vdm h HIS 46 N 0.56 -0.10 -1.00 2.24 -0.00 -1.35 -1.79 115.15 113.71 1vdm h HIS 46 Ca 0.27 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.77 1vdm h HIS 46 Cb 0.20 0.03 -0.09 0.00 -0.00 0.00 0.00 27.41 27.55 1vdm h HIS 46 CO -0.10 0.43 0.63 0.82 -0.00 0.00 0.00 177.93 179.70 1vdm h ILE 47 N -0.72 0.88 -0.18 6.26 2.04 -1.27 -1.56 117.51 122.96 1vdm h ILE 47 Ca -0.01 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1vdm h ILE 47 Cb 0.57 -0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1vdm h ILE 47 CO 0.02 0.17 0.09 0.18 0.00 0.00 0.00 178.15 178.62 1vdm n LEU 48 N -4.65 3.21 -0.48 1.44 4.77 -0.48 -4.80 117.00 116.01 1vdm n LEU 48 Ca 0.20 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 1vdm n LEU 48 Cb 0.40 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1vdm n LEU 48 CO 0.26 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1vdm n GLY 49 N 0.14 0.69 4.15 -0.72 0.00 -0.64 -4.43 105.19 104.38 1vdm n GLY 49 Ca 0.11 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 0.06 -0.50 -4.84 1.61 9.92 -0.74 -4.92 116.55 117.15 1vdm n ASP 50 Ca 0.00 -1.20 -0.33 0.00 -0.53 0.00 0.00 54.79 52.73 1vdm n ASP 50 Cb 0.31 -2.07 -0.06 0.00 -0.64 0.00 0.00 41.12 38.66 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 -4.10 4.61 0.36 0.53 -4.36 -0.82 -4.99 121.20 112.43 1vdm s ILE 51 Ca 0.10 1.08 -0.26 0.00 -0.26 0.00 0.00 60.65 61.32 1vdm s ILE 51 Cb -0.05 -3.61 -0.12 0.00 1.25 0.00 0.00 42.46 39.92 1vdm s ILE 51 CO 0.96 -0.21 0.97 -0.81 0.24 0.00 0.00 174.94 176.09 1vdm n PRO 52 N -0.41 1.29 -4.34 0.37 -0.04 -1.26 -4.78 135.00 125.83 1vdm n PRO 52 Ca 0.04 0.46 -0.34 0.00 -0.04 0.00 0.00 63.50 63.62 1vdm n PRO 52 Cb 0.53 -1.90 -0.13 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.15 2.99 0.20 1.53 2.96 -1.26 -1.99 118.68 123.25 1vdm s LEU 53 Ca 0.61 -0.27 0.09 0.00 -0.22 0.00 0.00 54.13 54.34 1vdm s LEU 53 Cb -0.63 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1vdm s LEU 53 CO 0.59 0.10 -0.10 -0.54 -1.32 0.00 0.00 176.35 175.08 1vdm s LYS 54 N 0.74 2.02 0.01 1.98 -0.14 -0.32 -4.99 119.74 119.04 1vdm s LYS 54 Ca -0.03 -1.35 0.04 0.00 -1.36 0.00 0.00 55.97 53.28 1vdm s LYS 54 Cb -0.15 -2.10 -0.01 0.00 -1.68 0.00 0.00 37.83 33.88 1vdm s LYS 54 CO 0.02 0.41 -0.13 0.08 -0.76 0.00 0.00 175.35 174.97 1vdm s VAL 55 N -1.84 1.05 -0.01 3.17 1.01 -1.26 -0.62 120.40 121.91 1vdm s VAL 55 Ca 0.26 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1vdm s VAL 55 Cb -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1vdm s VAL 55 CO 0.15 0.19 -0.03 -0.51 0.00 0.00 0.00 175.10 174.91 1vdm s ILE 56 N -0.49 0.26 -0.08 2.22 2.07 -1.05 -4.41 121.20 119.73 1vdm s ILE 56 Ca 0.04 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.18 1vdm s ILE 56 Cb -0.06 -0.25 0.02 0.00 0.13 0.00 0.00 42.46 42.30 1vdm s ILE 56 CO 0.00 0.09 -0.09 -0.62 -1.91 0.00 0.00 174.94 172.41 1vdm s ASP 57 N 0.13 1.81 -0.13 4.50 3.68 -0.69 -2.22 116.67 123.75 1vdm s ASP 57 Ca -0.01 -0.27 0.02 0.00 2.13 0.00 0.00 52.55 54.42 1vdm s ASP 57 Cb -0.04 -0.77 0.00 0.00 -1.45 0.00 0.00 42.92 40.66 1vdm s ASP 57 CO -0.00 -0.04 -0.21 -0.69 0.13 0.00 0.00 175.17 174.36 1vdm s VAL 58 N 1.12 2.24 0.14 1.11 1.01 -1.26 -0.64 120.40 124.11 1vdm s VAL 58 Ca -0.06 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.08 1vdm s VAL 58 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1vdm s VAL 58 CO -0.01 0.55 -0.24 -0.54 0.00 0.00 0.00 175.10 174.85 1vdm s LYS 59 N 0.62 1.34 -0.20 2.72 1.02 -0.12 -4.94 119.74 120.19 1vdm s LYS 59 Ca -0.11 -1.35 -0.04 0.00 0.02 0.00 0.00 55.97 54.49 1vdm s LYS 59 Cb -0.16 -1.69 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 1vdm s LYS 59 CO 0.03 0.39 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.75 1vdm s PHE 60 N -1.33 2.99 -0.18 3.18 0.40 -1.26 -0.54 117.98 121.23 1vdm s PHE 60 Ca 0.14 -0.61 -0.05 0.00 -0.60 0.00 0.00 56.93 55.80 1vdm s PHE 60 Cb -0.09 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 1vdm s PHE 60 CO 0.06 -0.32 0.01 0.71 0.70 0.00 0.00 175.22 176.38 1vdm s TYR 61 N 1.03 3.09 -0.03 0.36 1.51 -0.26 -4.89 117.35 118.16 1vdm s TYR 61 Ca 0.01 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.54 1vdm s TYR 61 Cb -0.15 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1vdm s TYR 61 CO 0.01 -0.04 1.08 0.15 -1.11 0.00 0.00 175.55 175.64 1vdm s LYS 62 N 0.57 4.44 0.00 -0.62 1.02 -1.26 -1.49 119.74 122.40 1vdm s LYS 62 Ca -0.00 1.54 0.00 0.00 0.02 0.00 0.00 55.97 57.52 1vdm s LYS 62 Cb -0.14 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1vdm s LYS 62 CO 0.02 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1vdm n GLY 63 N 3.13 -2.94 3.58 -3.33 0.00 -1.20 -4.89 105.19 99.54 1vdm n GLY 63 Ca 0.09 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1vdm n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vdm s ILE 64 N -0.90 4.24 0.18 -0.61 1.01 -1.26 -4.84 121.20 119.02 1vdm s ILE 64 Ca 0.00 1.01 -0.28 0.00 0.00 0.00 0.00 60.65 61.38 1vdm s ILE 64 Cb 0.00 -4.58 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 1vdm s ILE 64 CO 0.00 -1.03 0.87 -1.81 0.00 0.00 0.00 174.94 172.97 1vdm s ASP 65 N 2.52 7.50 0.00 3.58 -0.00 -1.26 -5.22 116.67 123.79 1vdm s ASP 65 Ca 0.44 1.78 0.00 0.00 -0.00 0.00 0.00 52.55 54.77 1vdm s ASP 65 Cb -0.08 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 1vdm s ASP 65 CO 0.29 0.13 0.00 0.61 -0.00 0.00 0.00 175.17 176.20 1vdm n GLY 68 N 1.73 0.51 2.85 0.21 0.00 -1.26 -5.32 105.19 103.91 1vdm n GLY 68 Ca -0.03 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 0.03 -0.07 1.61 2.02 -1.26 -3.21 118.70 117.82 1vdm s GLU 69 Ca 0.00 0.31 0.04 0.00 0.02 0.00 0.00 54.97 55.34 1vdm s GLU 69 Cb 0.00 -0.23 -0.02 0.00 0.10 0.00 0.00 34.13 33.99 1vdm s GLU 69 CO 0.00 -0.18 -0.19 0.15 0.02 0.00 0.00 175.26 175.06 1vdm s LYS 70 N 1.24 2.68 0.12 1.61 1.02 -0.56 -4.91 119.74 120.94 1vdm s LYS 70 Ca -0.08 -0.79 -0.25 0.00 0.02 0.00 0.00 55.97 54.87 1vdm s LYS 70 Cb -0.12 -2.33 -0.07 0.00 -0.52 0.00 0.00 37.83 34.79 1vdm s LYS 70 CO -0.05 0.44 0.76 -1.25 -0.92 0.00 0.00 175.35 174.33 1vdm s PRO 71 N -0.27 4.52 0.00 -1.68 0.04 -1.26 -1.10 135.00 135.25 1vdm s PRO 71 Ca 0.01 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.16 1vdm s PRO 71 Cb -0.13 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 1vdm s PRO 71 CO 0.03 0.47 -0.04 0.08 0.04 0.00 0.00 177.00 177.58 1vdm s VAL 72 N -0.73 0.26 -0.56 -0.36 1.01 0.30 -4.98 120.40 115.34 1vdm s VAL 72 Ca 0.36 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 1vdm s VAL 72 Cb -0.22 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 35.95 1vdm s VAL 72 CO 0.25 -0.03 0.96 -0.63 0.00 0.00 0.00 175.10 175.65 1vdm s ILE 73 N -0.33 4.35 0.15 2.22 1.01 -1.26 -0.94 121.20 126.40 1vdm s ILE 73 Ca -0.01 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 1vdm s ILE 73 Cb -0.03 -4.56 -0.15 0.00 0.01 0.00 0.00 42.46 37.73 1vdm s ILE 73 CO -0.00 -1.16 1.36 0.74 0.00 0.00 0.00 174.94 175.88 1vdm h THR 74 N 6.03 1.41 -3.19 2.92 2.02 -1.25 -3.41 112.91 117.44 1vdm h THR 74 Ca -0.26 -2.39 -0.53 0.00 0.77 0.00 0.00 66.41 64.00 1vdm h THR 74 Cb 1.07 2.33 -0.40 0.00 -1.74 0.00 0.00 68.15 69.42 1vdm h THR 74 CO 1.10 0.71 -0.76 -0.63 0.37 0.00 0.00 175.52 176.31 1vdm s ILE 75 N -3.36 0.53 0.83 3.11 1.01 -1.16 -4.93 121.20 117.23 1vdm s ILE 75 Ca -0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 1vdm s ILE 75 Cb 0.10 -1.17 0.12 0.00 0.01 0.00 0.00 42.46 41.51 1vdm s ILE 75 CO 0.85 -0.38 1.17 -2.16 0.00 0.00 0.00 174.94 174.42 1vdm s PRO 76 N 1.83 1.58 -0.26 2.79 0.04 -1.26 -1.71 135.00 138.02 1vdm s PRO 76 Ca 0.03 -0.23 -0.06 0.00 0.04 0.00 0.00 61.00 60.78 1vdm s PRO 76 Cb -0.17 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 1vdm s PRO 76 CO -0.15 -1.76 0.03 0.42 0.04 0.00 0.00 177.00 175.58 1vdm s ILE 77 N -3.57 3.81 0.60 0.56 1.01 -1.26 -4.75 121.20 117.60 1vdm s ILE 77 Ca 0.66 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 1vdm s ILE 77 Cb -0.08 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1vdm s ILE 77 CO 0.49 0.26 1.01 -1.00 0.00 0.00 0.00 174.94 175.69 1vdm s HIS 78 N 1.51 3.61 0.00 3.97 3.76 -1.26 -4.89 115.29 121.99 1vdm s HIS 78 Ca 0.04 1.27 0.00 0.00 -0.15 0.00 0.00 55.06 56.22 1vdm s HIS 78 Cb -0.16 -2.69 0.00 0.00 1.11 0.00 0.00 32.58 30.84 1vdm s HIS 78 CO 0.01 -0.63 0.00 0.41 -0.85 0.00 0.00 174.74 173.68 1vdm n GLY 79 N -2.61 0.32 3.55 -2.22 0.00 -1.26 -4.93 105.19 98.04 1vdm n GLY 79 Ca 0.06 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 2.98 -0.08 1.61 -4.77 -1.26 -4.98 116.67 106.17 1vdm s ASP 80 Ca 0.00 -1.70 0.13 0.00 -3.30 0.00 0.00 52.55 47.68 1vdm s ASP 80 Cb 0.00 0.55 0.25 0.00 -1.09 0.00 0.00 42.92 42.63 1vdm s ASP 80 CO 0.00 -0.95 1.12 0.18 0.70 0.00 0.00 175.17 176.22 1vdm n LEU 81 N -0.97 1.42 -4.72 2.11 4.77 0.52 -5.04 117.00 115.09 1vdm n LEU 81 Ca -0.08 -2.38 -0.43 0.00 -0.03 0.00 0.00 56.01 53.10 1vdm n LEU 81 Cb 0.65 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1vdm n LEU 81 CO 0.35 0.66 1.18 0.29 -1.33 0.00 0.00 177.39 178.54 1vdm n LYS 82 N -0.56 2.51 -2.95 3.23 5.02 -1.23 -2.10 118.16 122.07 1vdm n LYS 82 Ca 0.10 0.89 -0.22 0.00 -2.02 0.00 0.00 58.31 57.06 1vdm n LYS 82 Cb 0.76 -2.64 0.02 0.00 -0.02 0.00 0.00 35.03 33.15 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 2.21 -5.52 -4.02 4.39 -0.08 -1.26 -4.87 116.55 107.39 1vdm n ASP 83 Ca 0.10 -0.23 -0.29 0.00 -1.51 0.00 0.00 54.79 52.85 1vdm n ASP 83 Cb 0.35 -4.51 -0.17 0.00 2.34 0.00 0.00 41.12 39.14 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 -5.62 2.22 -0.23 -0.67 -0.14 -0.89 -4.88 119.74 109.52 1vdm s LYS 84 Ca 0.26 -0.54 -0.29 0.00 -1.36 0.00 0.00 55.97 54.04 1vdm s LYS 84 Cb -0.12 -1.99 0.01 0.00 -1.68 0.00 0.00 37.83 34.04 1vdm s LYS 84 CO 0.32 -0.18 1.07 1.03 -0.76 0.00 0.00 175.35 176.83 1vdm s ARG 85 N 1.32 4.25 0.18 1.68 0.52 -1.26 -2.34 118.95 123.30 1vdm s ARG 85 Ca 0.01 1.38 0.07 0.00 -0.52 0.00 0.00 55.73 56.67 1vdm s ARG 85 Cb -0.14 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 1vdm s ARG 85 CO -0.07 -0.65 0.05 0.08 0.02 0.00 0.00 175.30 174.72 1vdm s VAL 86 N 3.26 3.96 -0.10 3.52 1.01 0.86 0.08 120.40 132.99 1vdm s VAL 86 Ca 0.45 -1.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 1vdm s VAL 86 Cb -0.16 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1vdm s VAL 86 CO 0.08 -0.15 -0.06 -0.69 0.00 0.00 0.00 175.10 174.28 1vdm s VAL 87 N -1.81 0.85 -0.22 2.92 1.01 -0.99 -1.77 120.40 120.38 1vdm s VAL 87 Ca 0.29 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1vdm s VAL 87 Cb -0.09 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1vdm s VAL 87 CO 0.20 0.33 0.33 -0.63 0.00 0.00 0.00 175.10 175.33 1vdm s ILE 88 N 1.64 5.24 -0.13 2.22 1.01 0.33 -0.59 121.20 130.92 1vdm s ILE 88 Ca 0.02 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 1vdm s ILE 88 Cb -0.13 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1vdm s ILE 88 CO -0.06 0.26 -0.10 -0.69 0.00 0.00 0.00 174.94 174.35 1vdm s VAL 89 N 1.36 3.30 0.18 2.92 1.01 -0.97 -0.91 120.40 127.29 1vdm s VAL 89 Ca 0.15 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1vdm s VAL 89 Cb -0.15 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1vdm s VAL 89 CO 0.07 0.53 0.20 -0.62 0.00 0.00 0.00 175.10 175.27 1vdm s ASP 90 N 0.21 0.13 0.02 3.32 2.15 -1.09 -0.92 116.67 120.49 1vdm s ASP 90 Ca -0.06 -1.17 -0.18 0.00 0.43 0.00 0.00 52.55 51.56 1vdm s ASP 90 Cb -0.15 0.40 -0.29 0.00 -0.30 0.00 0.00 42.92 42.59 1vdm s ASP 90 CO 0.04 -0.87 1.05 -2.24 -0.17 0.00 0.00 175.17 172.98 1vdm h ASP 91 N 2.61 0.71 -4.85 -0.34 -0.00 -1.87 -3.24 116.42 109.43 1vdm h ASP 91 Ca -0.33 -0.84 -0.10 0.00 -0.00 0.00 0.00 57.03 55.76 1vdm h ASP 91 Cb 1.23 -0.22 -0.20 0.00 -0.00 0.00 0.00 39.33 40.14 1vdm h ASP 91 CO 0.51 1.48 -0.12 0.54 -0.00 0.00 0.00 179.24 181.64 1vdm s VAL 92 N -2.90 0.03 -0.69 4.15 0.11 -1.26 -1.58 120.40 118.27 1vdm s VAL 92 Ca -0.11 -0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1vdm s VAL 92 Cb 0.04 -0.73 0.18 0.00 -1.53 0.00 0.00 36.38 34.33 1vdm s VAL 92 CO 0.88 -0.15 0.53 -0.55 -3.33 0.00 0.00 175.10 172.48 1vdm s SER 93 N -1.08 5.52 0.00 3.54 0.15 -1.05 -4.95 113.70 115.84 1vdm s SER 93 Ca -0.11 -2.94 0.00 0.00 0.70 0.00 0.00 55.95 53.60 1vdm s SER 93 Cb -0.03 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1vdm s SER 93 CO 0.05 -0.37 0.00 -0.67 1.20 0.00 0.00 173.24 173.45 1vdm n ASP 94 N 3.40 0.00 -0.06 5.45 4.64 -1.26 -1.95 116.55 126.77 1vdm n ASP 94 Ca 0.10 0.19 -0.08 0.00 -1.38 0.00 0.00 54.79 53.62 1vdm n ASP 94 Cb 0.39 -0.21 -0.15 0.00 -1.04 0.00 0.00 41.12 40.11 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 -1.19 1.45 -0.20 5.18 -2.24 -1.26 -3.35 114.28 112.67 1vdm n THR 95 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1vdm n THR 95 Cb 0.00 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 1.64 0.72 0.21 3.38 0.00 -1.26 -1.63 105.19 108.25 1vdm n GLY 96 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 1vdm n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vdm h LYS 97 N 4.08 -0.24 0.15 1.61 1.57 -1.98 -1.15 116.57 120.61 1vdm h LYS 97 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1vdm h LYS 97 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1vdm h LYS 97 CO 0.00 -0.16 -0.13 1.15 -0.57 0.00 0.00 179.45 179.75 1vdm h THR 98 N -0.24 0.72 -0.77 -0.16 2.02 -1.98 -2.79 112.91 109.71 1vdm h THR 98 Ca 0.08 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.34 1vdm h THR 98 Cb 0.35 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1vdm h THR 98 CO -0.21 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 176.11 1vdm h LEU 99 N -0.29 0.66 -1.31 2.58 3.38 -1.93 -0.84 115.31 117.55 1vdm h LEU 99 Ca -0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1vdm h LEU 99 Cb 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1vdm h LEU 99 CO -0.02 0.40 -0.08 -0.33 0.09 0.00 0.00 178.44 178.50 1vdm h GLU 100 N 0.73 0.36 -0.04 1.13 5.08 -0.95 0.20 114.58 121.10 1vdm h GLU 100 Ca 0.35 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.46 1vdm h GLU 100 Cb 0.39 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1vdm h GLU 100 CO -0.13 0.46 -0.63 0.28 -1.00 0.00 0.00 179.01 177.99 1vdm h VAL 101 N 0.35 1.38 -0.58 3.13 2.07 -1.03 -2.68 116.25 118.89 1vdm h VAL 101 Ca 0.07 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 1vdm h VAL 101 Cb 0.37 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1vdm h VAL 101 CO 0.02 0.60 0.33 0.58 0.02 0.00 0.00 177.57 179.12 1vdm h VAL 102 N 0.07 1.17 -0.50 2.57 2.07 -0.78 -2.04 116.25 118.80 1vdm h VAL 102 Ca -0.07 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 1vdm h VAL 102 Cb 1.31 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1vdm h VAL 102 CO 0.13 0.18 -0.09 0.40 0.02 0.00 0.00 177.57 178.20 1vdm h ILE 103 N 0.80 1.27 -0.72 4.57 2.04 -0.56 -1.37 117.51 123.54 1vdm h ILE 103 Ca 0.21 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 1vdm h ILE 103 Cb -0.01 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1vdm h ILE 103 CO -0.04 0.43 0.19 -0.08 0.00 0.00 0.00 178.15 178.65 1vdm h GLU 104 N 0.81 1.14 -0.11 2.37 4.81 -1.12 -0.80 114.58 121.68 1vdm h GLU 104 Ca 0.13 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1vdm h GLU 104 Cb 0.65 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1vdm h GLU 104 CO 0.04 1.00 0.03 1.49 -0.73 0.00 0.00 179.01 180.84 1vdm h GLU 105 N 1.08 0.18 -0.62 1.92 4.57 -1.23 -0.77 114.58 119.72 1vdm h GLU 105 Ca 0.23 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1vdm h GLU 105 Cb 0.36 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1vdm h GLU 105 CO -0.00 0.36 0.41 0.28 -1.18 0.00 0.00 179.01 178.88 1vdm h VAL 106 N -0.02 1.12 -0.04 0.32 2.07 -1.08 -0.87 116.25 117.74 1vdm h VAL 106 Ca 0.04 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 1vdm h VAL 106 Cb 0.25 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1vdm h VAL 106 CO 0.00 0.14 -0.54 0.11 0.02 0.00 0.00 177.57 177.30 1vdm h LYS 107 N 0.78 0.12 0.00 1.57 1.57 -0.85 -2.83 116.57 116.93 1vdm h LYS 107 Ca 0.24 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1vdm h LYS 107 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1vdm h LYS 107 CO -0.06 0.63 -0.25 0.87 -0.57 0.00 0.00 179.45 180.08 1vdm h LYS 108 N 0.09 0.00 -0.15 3.15 1.57 0.23 -2.57 116.57 118.88 1vdm h LYS 108 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vdm h LYS 108 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1vdm h LYS 108 CO 0.08 0.25 0.00 1.28 -0.57 0.00 0.00 179.45 180.48 1vdm n LEU 109 N -3.40 1.38 -0.58 2.94 4.77 -0.76 -4.94 117.00 116.42 1vdm n LEU 109 Ca 0.00 -0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 55.34 1vdm n LEU 109 Cb 0.45 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1vdm n LEU 109 CO 0.34 0.30 -0.05 0.61 -1.33 0.00 0.00 177.39 177.25 1vdm n GLY 110 N 1.05 0.20 3.65 -0.72 0.00 -0.97 -0.36 105.19 108.05 1vdm n GLY 110 Ca 0.15 -0.68 -0.46 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.33 0.81 -0.12 4.61 0.00 -1.14 -3.49 120.51 119.85 1vdm n ALA 111 Ca -0.05 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 1vdm n ALA 111 Cb 0.54 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 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 4.61 0.56 -2.88 0.00 3.64 -1.53 -3.45 116.57 117.52 1vdm h LYS 112 Ca -0.45 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 58.67 1vdm h LYS 112 Cb 1.28 -0.07 -0.24 0.00 -0.41 0.00 0.00 32.23 32.79 1vdm h LYS 112 CO 0.79 0.61 -0.29 -2.00 -2.27 0.00 0.00 179.45 176.29 1vdm s GLU 113 N -5.30 0.47 0.07 1.90 2.12 -1.22 -4.99 118.70 111.74 1vdm s GLU 113 Ca -0.13 0.39 0.09 0.00 0.36 0.00 0.00 54.97 55.68 1vdm s GLU 113 Cb 0.09 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 1vdm s GLU 113 CO 0.76 -0.07 -0.25 0.42 -0.54 0.00 0.00 175.26 175.57 1vdm s ILE 114 N -0.06 2.31 -0.11 -3.70 1.01 -1.26 -0.10 121.20 119.30 1vdm s ILE 114 Ca -0.02 -1.46 -0.07 0.00 0.00 0.00 0.00 60.65 59.10 1vdm s ILE 114 Cb -0.03 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.53 1vdm s ILE 114 CO 0.01 0.28 0.26 -0.75 0.00 0.00 0.00 174.94 174.75 1vdm s LYS 115 N -1.52 0.27 -0.15 2.79 2.47 -0.73 -4.95 119.74 117.91 1vdm s LYS 115 Ca 0.13 0.46 -0.04 0.00 -1.56 0.00 0.00 55.97 54.96 1vdm s LYS 115 Cb -0.10 0.02 -0.03 0.00 -1.46 0.00 0.00 37.83 36.26 1vdm s LYS 115 CO 0.04 -0.10 -0.01 0.42 0.16 0.00 0.00 175.35 175.86 1vdm s ILE 116 N 0.72 4.14 -0.08 5.43 1.09 -1.26 -0.51 121.20 130.72 1vdm s ILE 116 Ca -0.05 -0.28 -0.00 0.00 -1.10 0.00 0.00 60.65 59.23 1vdm s ILE 116 Cb -0.06 -2.81 0.02 0.00 -1.06 0.00 0.00 42.46 38.55 1vdm s ILE 116 CO -0.04 0.50 -0.05 0.00 -0.10 0.00 0.00 174.94 175.24 1vdm s ALA 117 N 0.20 1.03 0.18 9.38 0.00 -0.09 0.50 121.76 132.96 1vdm s ALA 117 Ca -0.00 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1vdm s ALA 117 Cb -0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 1vdm s ALA 117 CO 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 175.76 175.40 1vdm h LEU 119 N 2.64 0.32 -9.57 0.00 3.38 -1.51 -3.29 115.31 107.28 1vdm h LEU 119 Ca -0.37 -0.83 -0.62 0.00 0.09 0.00 0.00 57.88 56.15 1vdm h LEU 119 Cb 1.21 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 1vdm h LEU 119 CO 0.64 1.11 -0.62 0.00 0.09 0.00 0.00 178.44 179.66 1vdm s ALA 120 N -2.93 3.06 -0.06 1.53 0.00 -0.61 0.01 121.76 122.76 1vdm s ALA 120 Ca -0.15 -2.24 -0.20 0.00 0.00 0.00 0.00 51.96 49.37 1vdm s ALA 120 Cb 0.01 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1vdm s ALA 120 CO 0.77 -0.08 0.46 1.41 0.00 0.00 0.00 175.76 178.33 1vdm s MET 121 N -3.69 0.78 -0.07 0.00 1.75 -0.58 -2.53 119.30 114.95 1vdm s MET 121 Ca 0.34 0.11 0.05 0.00 -1.25 0.00 0.00 55.69 54.94 1vdm s MET 121 Cb 0.08 0.36 -0.01 0.00 2.84 0.00 0.00 34.83 38.09 1vdm s MET 121 CO 0.17 -0.21 -0.22 0.15 -0.65 0.00 0.00 175.02 174.27 1vdm s LYS 122 N -0.99 2.69 0.33 4.11 1.02 -0.82 -2.71 119.74 123.37 1vdm s LYS 122 Ca -0.10 -0.85 0.10 0.00 0.02 0.00 0.00 55.97 55.14 1vdm s LYS 122 Cb -0.03 -2.26 0.98 0.00 -0.52 0.00 0.00 37.83 35.99 1vdm s LYS 122 CO 0.05 0.38 1.63 -1.35 -0.92 0.00 0.00 175.35 175.14 1vdm h PRO 123 N 6.09 0.19 -0.09 -1.68 0.11 -1.89 -1.47 132.00 133.25 1vdm h PRO 123 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1vdm h PRO 123 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1vdm h PRO 123 CO 0.49 0.12 0.00 -2.67 -0.21 0.00 0.00 178.00 175.73 1vdm n TRP 124 N -5.20 0.10 -2.39 0.65 2.14 -1.26 -4.94 117.44 106.54 1vdm n TRP 124 Ca 0.29 -0.05 -0.35 0.00 2.07 0.00 0.00 57.50 59.46 1vdm n TRP 124 Cb 0.92 -0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 31.40 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 -1.89 3.45 -1.10 -1.67 -1.32 -0.56 -4.87 115.64 107.68 1vdm s THR 125 Ca 0.05 0.91 0.26 0.00 -1.21 0.00 0.00 61.69 61.70 1vdm s THR 125 Cb 0.03 -3.37 0.12 0.00 -1.51 0.00 0.00 72.50 67.76 1vdm s THR 125 CO 0.03 -0.19 1.59 -1.54 -2.21 0.00 0.00 174.62 172.30 1vdm n SER 126 N -1.12 0.41 -3.72 8.08 3.41 -0.65 -4.60 113.62 115.44 1vdm n SER 126 Ca 0.10 -0.14 -0.30 0.00 -0.26 0.00 0.00 58.87 58.28 1vdm n SER 126 Cb 0.52 0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 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 -2.92 1.00 -0.19 -3.33 1.01 -1.26 -5.02 120.40 109.68 1vdm s VAL 127 Ca 0.14 -1.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.07 1vdm s VAL 127 Cb 0.18 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1vdm s VAL 127 CO 0.63 -0.76 1.18 -0.69 0.00 0.00 0.00 175.10 175.46 1vdm s VAL 128 N 1.22 4.43 0.64 2.92 1.01 -1.26 -4.90 120.40 124.45 1vdm s VAL 128 Ca 0.12 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.65 1vdm s VAL 128 Cb -0.20 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1vdm s VAL 128 CO -0.16 -0.15 1.12 -2.65 0.00 0.00 0.00 175.10 173.26 1vdm n PRO 129 N 6.50 0.96 0.19 2.72 -0.02 -1.26 -4.89 135.00 139.21 1vdm n PRO 129 Ca 0.13 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 62.07 1vdm n PRO 129 Cb 0.45 -2.35 0.27 0.00 -0.02 0.00 0.00 33.50 31.85 1vdm n PRO 129 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1vdm h ASP 130 N 0.43 0.00 -3.56 2.55 5.19 -0.33 -3.43 116.42 117.27 1vdm h ASP 130 Ca -0.50 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.67 1vdm h ASP 130 Cb 1.35 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 40.56 1vdm h ASP 130 CO 0.51 0.29 -0.62 -0.31 -3.12 0.00 0.00 179.24 175.99 1vdm s TYR 131 N -3.35 -0.11 0.16 4.55 1.51 -0.71 -5.00 117.35 114.40 1vdm s TYR 131 Ca 0.03 0.35 -0.24 0.00 -1.01 0.00 0.00 57.07 56.20 1vdm s TYR 131 Cb 0.09 -0.07 0.06 0.00 -0.11 0.00 0.00 41.96 41.93 1vdm s TYR 131 CO 0.68 -0.12 0.72 1.52 -1.11 0.00 0.00 175.55 177.24 1vdm s TYR 132 N 0.77 -0.37 0.04 2.71 -0.85 -1.25 -1.13 117.35 117.28 1vdm s TYR 132 Ca -0.06 0.10 -0.01 0.00 -0.52 0.00 0.00 57.07 56.58 1vdm s TYR 132 Cb -0.08 0.60 -0.01 0.00 0.38 0.00 0.00 41.96 42.86 1vdm s TYR 132 CO -0.03 -0.89 -0.03 0.28 -1.52 0.00 0.00 175.55 173.36 1vdm n VAL 133 N -0.39 0.86 -3.19 -3.49 0.31 -0.51 -5.02 118.33 106.90 1vdm n VAL 133 Ca -0.11 0.24 -0.35 0.00 -0.01 0.00 0.00 64.34 64.11 1vdm n VAL 133 Cb 0.62 -1.61 -0.06 0.00 -0.91 0.00 0.00 33.84 31.89 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 -2.06 3.59 -0.06 3.52 0.40 0.10 -5.00 117.98 118.48 1vdm s PHE 134 Ca -0.03 1.26 -0.01 0.00 -0.60 0.00 0.00 56.93 57.55 1vdm s PHE 134 Cb 0.01 -2.53 0.03 0.00 0.51 0.00 0.00 43.02 41.04 1vdm s PHE 134 CO 0.04 0.33 0.01 0.50 0.70 0.00 0.00 175.22 176.80 1vdm s ARG 135 N -2.12 0.41 0.20 0.44 3.52 -1.26 -1.53 118.95 118.61 1vdm s ARG 135 Ca 0.43 0.17 -0.23 0.00 -0.13 0.00 0.00 55.73 55.96 1vdm s ARG 135 Cb -0.15 -0.79 0.05 0.00 -1.56 0.00 0.00 34.95 32.49 1vdm s ARG 135 CO 0.20 -0.28 0.82 -0.08 -0.81 0.00 0.00 175.30 175.15 1vdm s THR 136 N 1.87 0.00 -0.11 4.11 -1.32 -1.10 -5.00 115.64 114.09 1vdm s THR 136 Ca 0.03 -0.74 0.04 0.00 -1.21 0.00 0.00 61.69 59.81 1vdm s THR 136 Cb -0.12 -1.87 -0.05 0.00 -1.51 0.00 0.00 72.50 68.94 1vdm s THR 136 CO -0.04 0.00 0.13 -0.62 -2.21 0.00 0.00 174.62 171.88 1vdm n GLU 137 N -0.45 3.48 -0.88 7.08 1.02 -1.26 -4.24 120.64 125.39 1vdm n GLU 137 Ca -0.06 -0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.78 1vdm n GLU 137 Cb 0.60 -0.85 0.20 0.00 -0.02 0.00 0.00 31.44 31.38 1vdm n GLU 137 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1vdm s LYS 138 N -1.73 0.01 -0.25 3.49 1.02 -1.26 -4.94 119.74 116.08 1vdm s LYS 138 Ca 0.00 0.77 -0.29 0.00 0.02 0.00 0.00 55.97 56.47 1vdm s LYS 138 Cb 0.03 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.66 1vdm s LYS 138 CO 0.16 -3.08 1.30 -0.46 -0.92 0.00 0.00 175.35 172.35 1vdm s TRP 139 N -2.73 2.72 -0.21 3.18 -0.11 -1.26 -4.91 118.94 115.62 1vdm s TRP 139 Ca 0.66 0.91 -0.14 0.00 1.22 0.00 0.00 56.10 58.75 1vdm s TRP 139 Cb -0.21 -3.76 -0.04 0.00 -1.50 0.00 0.00 33.47 27.95 1vdm s TRP 139 CO 0.60 -1.76 0.30 0.42 -4.62 0.00 0.00 176.95 171.90 1vdm s ILE 140 N 4.10 5.27 -0.37 5.86 1.01 -1.26 -1.06 121.20 134.74 1vdm s ILE 140 Ca 0.56 0.50 -0.08 0.00 0.00 0.00 0.00 60.65 61.63 1vdm s ILE 140 Cb -0.19 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.70 1vdm s ILE 140 CO 0.20 0.31 0.18 -0.69 0.00 0.00 0.00 174.94 174.94 1vdm s VAL 141 N 1.09 4.05 0.70 2.92 1.01 -0.53 -4.96 120.40 124.67 1vdm s VAL 141 Ca 0.15 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 1vdm s VAL 141 Cb -0.14 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1vdm s VAL 141 CO 0.06 -0.32 1.06 -0.36 0.00 0.00 0.00 175.10 175.54 1vdm s PHE 142 N 1.43 3.12 0.45 5.22 0.40 -1.26 -3.04 117.98 124.30 1vdm s PHE 142 Ca 0.01 1.39 0.14 0.00 -0.60 0.00 0.00 56.93 57.87 1vdm s PHE 142 Cb -0.21 -2.89 1.07 0.00 0.51 0.00 0.00 43.02 41.50 1vdm s PHE 142 CO 0.03 -1.25 2.01 -1.35 0.70 0.00 0.00 175.22 175.36 1vdm h PRO 143 N -0.73 0.33 0.00 0.24 0.11 -1.89 -2.12 132.00 127.95 1vdm h PRO 143 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1vdm h PRO 143 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1vdm h PRO 143 CO 0.57 0.22 0.00 -2.67 -0.21 0.00 0.00 178.00 175.91 1vdm n TRP 144 N -4.47 0.08 -3.13 0.65 2.14 -1.26 -4.85 117.44 106.61 1vdm n TRP 144 Ca 0.07 0.03 -0.24 0.00 2.07 0.00 0.00 57.50 59.43 1vdm n TRP 144 Cb 0.32 -0.54 0.00 0.00 -0.81 0.00 0.00 31.31 30.28 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 -3.01 3.29 0.25 -2.67 2.02 -0.80 -5.07 118.70 112.71 1vdm s GLU 145 Ca 0.12 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 1vdm s GLU 145 Cb 0.17 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.72 1vdm s GLU 145 CO 0.49 -0.08 1.04 -1.21 0.02 0.00 0.00 175.26 175.52 1vdm s GLU 146 N -4.47 4.72 -0.34 1.61 2.02 -1.26 -4.88 118.70 116.10 1vdm s GLU 146 Ca 0.45 1.67 -0.29 0.00 0.02 0.00 0.00 54.97 56.82 1vdm s GLU 146 Cb -0.10 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.90 1vdm s GLU 146 CO 0.38 0.31 1.37 -0.06 0.02 0.00 0.00 175.26 177.28 1vdm s PHE 147 N -1.04 2.52 0.31 1.61 0.40 -1.26 -4.96 117.98 115.55 1vdm s PHE 147 Ca 0.44 0.76 -0.29 0.00 -0.60 0.00 0.00 56.93 57.23 1vdm s PHE 147 Cb -0.29 -4.09 -0.12 0.00 0.51 0.00 0.00 43.02 39.03 1vdm s PHE 147 CO 0.37 -1.92 1.45 -2.30 0.70 0.00 0.00 175.22 173.51 1vdm n PRO 148 N 7.67 2.37 -4.61 0.24 -0.02 -1.26 -5.02 135.00 134.36 1vdm n PRO 148 Ca 0.16 0.84 -0.33 0.00 -2.02 0.00 0.00 63.50 62.15 1vdm n PRO 148 Cb 0.47 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 1vdm n PRO 148 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vdm s VAL 149 N -0.51 3.49 -0.21 -1.45 1.01 -1.26 -5.11 120.40 116.37 1vdm s VAL 149 Ca 0.61 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1vdm s VAL 149 Cb -0.55 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1vdm s VAL 149 CO 0.55 0.50 0.03 -0.63 0.00 0.00 0.00 175.10 175.54 1vdm s ILE 150 N -0.88 4.17 0.28 2.22 1.09 -1.26 -5.10 121.20 121.72 1vdm s ILE 150 Ca 0.14 -0.24 0.12 0.00 -1.10 0.00 0.00 60.65 59.57 1vdm s ILE 150 Cb -0.11 -2.90 -0.05 0.00 -1.06 0.00 0.00 42.46 38.34 1vdm s ILE 150 CO 0.04 0.41 -0.19 -1.61 -0.10 0.00 0.00 174.94 173.49 1vdm s GLU 151 N 1.03 1.68 0.00 2.79 2.02 -1.26 -5.36 118.70 119.60 1vdm s GLU 151 Ca 0.03 -1.77 0.24 0.00 0.02 0.00 0.00 54.97 53.49 1vdm s GLU 151 Cb -0.14 -1.75 1.45 0.00 0.10 0.00 0.00 34.13 33.79 1vdm s GLU 151 CO 0.02 0.32 1.81 1.63 0.02 0.00 0.00 175.26 179.06