#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 0.98 -2.35 7.83 5.19 -2.05 -3.45 116.42 122.57 1vdm h ASP 2 Ca 0.00 -0.39 -0.57 0.00 -0.62 0.00 0.00 57.03 55.45 1vdm h ASP 2 Cb 0.00 -0.27 -0.14 0.00 0.18 0.00 0.00 39.33 39.10 1vdm h ASP 2 CO 0.00 1.18 -0.69 -0.54 -3.12 0.00 0.00 179.24 176.07 1vdm s LYS 3 N -4.58 1.69 -0.12 3.56 1.02 -1.26 -4.08 119.74 115.97 1vdm s LYS 3 Ca -0.11 -1.86 -0.02 0.00 0.02 0.00 0.00 55.97 54.01 1vdm s LYS 3 Cb 0.12 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.91 1vdm s LYS 3 CO 0.87 0.13 -0.06 0.08 -0.92 0.00 0.00 175.35 175.44 1vdm s VAL 4 N -2.75 3.69 -0.57 3.17 1.01 -0.15 -4.98 120.40 119.82 1vdm s VAL 4 Ca 0.31 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1vdm s VAL 4 Cb 0.02 -2.57 0.14 0.00 0.00 0.00 0.00 36.38 33.97 1vdm s VAL 4 CO 0.14 0.53 0.33 -0.31 0.00 0.00 0.00 175.10 175.80 1vdm s TYR 5 N -0.03 3.27 0.31 5.22 1.51 -1.26 -0.78 117.35 125.60 1vdm s TYR 5 Ca -0.00 -3.04 -0.29 0.00 -1.01 0.00 0.00 57.07 52.73 1vdm s TYR 5 Cb -0.13 -2.94 -0.10 0.00 -0.11 0.00 0.00 41.96 38.67 1vdm s TYR 5 CO 0.03 -0.76 1.41 -0.51 -1.11 0.00 0.00 175.55 174.60 1vdm s LEU 6 N -0.29 4.38 0.38 -1.29 1.43 -0.99 -5.01 118.68 117.30 1vdm s LEU 6 Ca 0.17 2.78 -0.03 0.00 -1.03 0.00 0.00 54.13 56.03 1vdm s LEU 6 Cb -0.23 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1vdm s LEU 6 CO -0.02 -0.69 0.64 0.42 0.23 0.00 0.00 176.35 176.94 1vdm s THR 7 N -0.73 5.01 0.28 5.49 -4.23 -1.26 -3.51 115.64 116.69 1vdm s THR 7 Ca 0.54 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.98 1vdm s THR 7 Cb -0.42 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 69.86 1vdm s THR 7 CO 0.52 -0.61 1.80 -0.50 -0.54 0.00 0.00 174.62 175.30 1vdm h TRP 8 N 0.78 1.03 -0.39 3.99 4.06 -1.95 -0.76 115.95 122.71 1vdm h TRP 8 Ca -0.48 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.43 1vdm h TRP 8 Cb 1.21 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 29.03 1vdm h TRP 8 CO 0.55 0.34 -0.04 2.35 -3.56 0.00 0.00 178.44 178.08 1vdm h TRP 9 N 0.85 0.67 -0.27 0.49 7.01 -1.98 0.40 115.95 123.12 1vdm h TRP 9 Ca 0.50 -0.09 -0.17 0.00 2.11 0.00 0.00 58.89 61.25 1vdm h TRP 9 Cb 0.61 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1vdm h TRP 9 CO -0.03 0.66 -0.48 1.96 -2.79 0.00 0.00 178.44 177.76 1vdm h GLN 10 N 0.59 0.80 -0.32 2.65 4.20 -1.56 -1.51 115.11 119.97 1vdm h GLN 10 Ca 0.12 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 58.29 1vdm h GLN 10 Cb 0.43 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1vdm h GLN 10 CO 0.02 1.13 0.07 0.28 -0.67 0.00 0.00 178.83 179.66 1vdm h VAL 11 N 0.56 1.23 -0.32 -0.54 2.07 -1.14 -1.93 116.25 116.18 1vdm h VAL 11 Ca 0.02 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1vdm h VAL 11 Cb 1.09 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1vdm h VAL 11 CO 0.11 0.26 0.16 0.44 0.02 0.00 0.00 177.57 178.56 1vdm h ASP 12 N 0.36 0.38 1.11 0.57 3.32 -0.83 0.33 116.42 121.67 1vdm h ASP 12 Ca 0.10 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1vdm h ASP 12 Cb 0.32 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1vdm h ASP 12 CO 0.00 0.32 -0.63 0.03 -1.72 0.00 0.00 179.24 177.24 1vdm h ARG 13 N 0.44 0.00 0.06 3.56 2.47 -1.08 -2.13 114.38 117.69 1vdm h ARG 13 Ca 0.11 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1vdm h ARG 13 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1vdm h ARG 13 CO -0.02 0.63 -0.03 0.00 0.56 0.00 0.00 179.97 181.12 1vdm h ALA 14 N 1.37 -0.08 -0.95 0.04 0.00 -0.39 -1.69 119.26 117.56 1vdm h ALA 14 Ca -0.01 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.81 1vdm h ALA 14 Cb 1.36 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 1vdm h ALA 14 CO 0.08 -0.33 0.61 0.82 0.00 0.00 0.00 179.25 180.43 1vdm h ILE 15 N -0.51 0.92 -0.36 0.00 2.04 -1.00 0.28 117.51 118.88 1vdm h ILE 15 Ca -0.01 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.40 1vdm h ILE 15 Cb 0.45 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1vdm h ILE 15 CO 0.01 0.17 -0.35 -0.26 0.00 0.00 0.00 178.15 177.72 1vdm h PHE 16 N 0.91 0.99 -0.29 1.37 0.04 -1.25 -1.15 116.94 117.56 1vdm h PHE 16 Ca 0.46 -0.28 -0.09 0.00 2.80 0.00 0.00 57.97 60.87 1vdm h PHE 16 Cb 0.50 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1vdm h PHE 16 CO -0.00 1.06 -0.16 0.00 -0.60 0.00 0.00 178.31 178.61 1vdm h ALA 17 N 0.91 0.40 -0.52 2.45 0.00 -0.28 -2.87 119.26 119.36 1vdm h ALA 17 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1vdm h ALA 17 Cb 0.91 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1vdm h ALA 17 CO 0.08 0.31 0.34 -0.07 0.00 0.00 0.00 179.25 179.91 1vdm h LEU 18 N 0.35 0.57 -1.32 0.00 3.38 -0.42 -2.50 115.31 115.38 1vdm h LEU 18 Ca 0.06 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1vdm h LEU 18 Cb 0.68 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1vdm h LEU 18 CO 0.05 0.41 0.49 0.00 0.09 0.00 0.00 178.44 179.48 1vdm h ALA 19 N 1.20 1.63 -0.68 1.53 0.00 -1.15 -0.69 119.26 121.10 1vdm h ALA 19 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1vdm h ALA 19 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1vdm h ALA 19 CO -0.05 0.27 0.25 1.49 0.00 0.00 0.00 179.25 181.21 1vdm h GLU 20 N 0.84 1.02 -0.04 0.00 4.57 -1.22 -2.02 114.58 117.73 1vdm h GLU 20 Ca 0.32 -0.18 -0.20 0.00 -1.18 0.00 0.00 59.36 58.11 1vdm h GLU 20 Cb 0.18 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1vdm h GLU 20 CO -0.10 0.84 -0.76 0.87 -1.18 0.00 0.00 179.01 178.68 1vdm h LYS 21 N 0.99 0.58 0.00 1.92 1.79 -1.27 -3.13 116.57 117.46 1vdm h LYS 21 Ca 0.23 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1vdm h LYS 21 Cb 0.22 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1vdm h LYS 21 CO -0.02 1.19 0.00 -0.07 -1.08 0.00 0.00 179.45 179.48 1vdm h LEU 22 N 0.19 0.00 -1.07 2.94 3.38 -0.95 -1.85 115.31 117.95 1vdm h LEU 22 Ca -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1vdm h LEU 22 Cb 1.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1vdm h LEU 22 CO 0.15 0.00 -0.13 -0.09 0.09 0.00 0.00 178.44 178.46 1vdm h ARG 23 N 0.00 0.50 0.00 1.13 9.65 -1.31 -2.40 114.38 121.96 1vdm h ARG 23 Ca 0.00 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1vdm h ARG 23 Cb 0.08 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1vdm h ARG 23 CO 0.00 0.63 0.00 -1.91 2.80 0.00 0.00 179.97 181.49 1vdm n GLU 24 N -4.19 0.23 0.00 0.20 0.00 -0.70 -3.16 120.64 113.02 1vdm n GLU 24 Ca 0.00 0.30 0.11 0.00 0.00 0.00 0.00 57.16 57.58 1vdm n GLU 24 Cb 0.33 -1.83 0.09 0.00 0.00 0.00 0.00 31.44 30.03 1vdm n GLU 24 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1vdm n TYR 25 N -2.25 0.01 -3.72 4.31 9.36 -0.91 -5.02 117.16 118.94 1vdm n TYR 25 Ca 0.04 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.03 1vdm n TYR 25 Cb 0.35 -0.16 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 1vdm n TYR 25 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1vdm n LYS 26 N -1.52 -1.42 -1.31 2.98 4.01 -1.18 -4.92 118.16 114.79 1vdm n LYS 26 Ca 0.05 0.79 -0.32 0.00 -0.51 0.00 0.00 58.31 58.32 1vdm n LYS 26 Cb 0.34 -2.76 0.09 0.00 -0.51 0.00 0.00 35.03 32.19 1vdm n LYS 26 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 1vdm s PRO 27 N -4.92 2.16 -0.05 1.97 0.02 -1.26 -4.86 135.00 128.06 1vdm s PRO 27 Ca 0.05 1.37 0.06 0.00 0.02 0.00 0.00 61.00 62.50 1vdm s PRO 27 Cb -0.02 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 1vdm s PRO 27 CO 0.88 -1.74 0.06 -0.25 -0.33 0.00 0.00 177.00 175.63 1vdm n ASP 28 N -3.25 3.44 -3.87 2.53 10.43 -0.31 -4.98 116.55 120.54 1vdm n ASP 28 Ca 0.10 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.36 1vdm n ASP 28 Cb 0.52 0.86 -0.09 0.00 1.84 0.00 0.00 41.12 44.26 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 -2.26 0.12 -0.10 2.53 1.01 -1.21 -4.13 120.40 116.36 1vdm s VAL 29 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1vdm s VAL 29 Cb 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1vdm s VAL 29 CO 0.27 -0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.08 1vdm s ILE 30 N -2.64 1.28 -0.33 2.22 1.01 -0.85 -2.34 121.20 119.54 1vdm s ILE 30 Ca -0.05 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 1vdm s ILE 30 Cb -0.01 -1.19 0.04 0.00 0.01 0.00 0.00 42.46 41.31 1vdm s ILE 30 CO -0.04 0.40 0.09 -0.63 0.00 0.00 0.00 174.94 174.75 1vdm s ILE 31 N 1.03 3.67 -0.23 2.92 1.01 0.20 -0.32 121.20 129.48 1vdm s ILE 31 Ca -0.07 -1.15 -0.16 0.00 0.00 0.00 0.00 60.65 59.27 1vdm s ILE 31 Cb -0.15 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1vdm s ILE 31 CO -0.01 -0.16 0.42 -0.83 0.00 0.00 0.00 174.94 174.36 1vdm s GLY 32 N 1.38 1.97 -0.09 6.18 0.00 -0.38 -0.35 107.32 116.03 1vdm s GLY 32 Ca -0.02 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 43.80 1vdm s GLY 32 CO 0.02 0.96 0.89 0.14 0.00 0.00 0.00 173.10 175.11 1vdm s VAL 33 N 1.76 4.89 0.40 1.40 1.01 -0.78 -2.02 120.40 127.06 1vdm s VAL 33 Ca 0.18 1.80 -0.23 0.00 0.00 0.00 0.00 61.98 63.73 1vdm s VAL 33 Cb -0.15 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 1vdm s VAL 33 CO 0.09 0.09 1.02 0.00 0.00 0.00 0.00 175.10 176.30 1vdm s ALA 34 N 1.59 3.07 -0.33 5.51 0.00 0.20 0.18 121.76 131.98 1vdm s ALA 34 Ca 0.44 0.61 0.22 0.00 0.00 0.00 0.00 51.96 53.23 1vdm s ALA 34 Cb -0.18 -3.24 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 1vdm s ALA 34 CO 0.18 -0.11 0.84 0.54 0.00 0.00 0.00 175.76 177.21 1vdm n ARG 35 N -0.20 0.48 0.12 0.00 1.74 -1.26 -4.59 116.66 112.96 1vdm n ARG 35 Ca 0.05 -0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.17 1vdm n ARG 35 Cb 0.51 -1.63 0.55 0.00 -1.02 0.00 0.00 32.46 30.87 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 4.24 0.26 0.62 -0.13 0.00 -1.95 -2.27 103.07 103.84 1vdm h GLY 36 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1vdm h GLY 36 CO 0.00 0.09 -0.56 0.61 0.00 0.00 0.00 176.54 176.68 1vdm n GLY 37 N -1.52 -1.06 0.30 4.60 0.00 0.13 -3.96 105.19 103.69 1vdm n GLY 37 Ca 0.01 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 0.27 -0.66 -0.41 0.99 3.38 -1.42 0.18 115.31 117.64 1vdm h LEU 38 Ca 0.00 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1vdm h LEU 38 Cb 0.51 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1vdm h LEU 38 CO 0.00 -0.42 0.14 0.40 0.09 0.00 0.00 178.44 178.65 1vdm h ILE 39 N -0.66 0.86 0.00 1.22 2.04 -1.77 0.24 117.51 119.44 1vdm h ILE 39 Ca -0.05 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1vdm h ILE 39 Cb 0.54 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1vdm h ILE 39 CO 0.05 0.05 -0.43 -0.65 0.00 0.00 0.00 178.15 177.17 1vdm h PRO 40 N 0.30 0.00 -0.17 2.37 0.11 -1.75 -2.68 132.00 130.17 1vdm h PRO 40 Ca 0.19 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 1vdm h PRO 40 Cb 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 1vdm h PRO 40 CO -0.20 0.43 -0.09 0.00 -0.21 0.00 0.00 178.00 177.93 1vdm h ALA 41 N 1.57 0.24 0.08 -0.75 0.00 0.44 -0.56 119.26 120.29 1vdm h ALA 41 Ca -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1vdm h ALA 41 Cb 0.77 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1vdm h ALA 41 CO 0.06 0.06 -0.37 0.28 0.00 0.00 0.00 179.25 179.27 1vdm h VAL 42 N 0.04 0.23 -0.52 0.00 2.07 -0.48 0.31 116.25 117.90 1vdm h VAL 42 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1vdm h VAL 42 Cb 0.57 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1vdm h VAL 42 CO 0.03 0.00 0.31 0.03 0.02 0.00 0.00 177.57 177.95 1vdm h ARG 43 N -0.58 0.71 -0.91 1.57 3.08 -1.47 -2.47 114.38 114.32 1vdm h ARG 43 Ca 0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1vdm h ARG 43 Cb 0.62 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1vdm h ARG 43 CO -0.24 0.53 0.50 -0.07 -1.07 0.00 0.00 179.97 179.62 1vdm h LEU 44 N 0.70 1.13 -0.17 3.04 3.38 -0.80 -1.54 115.31 121.06 1vdm h LEU 44 Ca 0.19 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1vdm h LEU 44 Cb 0.01 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 1vdm h LEU 44 CO -0.03 0.91 -0.29 -1.28 0.09 0.00 0.00 178.44 177.84 1vdm h SER 45 N 1.27 -0.90 -0.03 -0.43 0.87 0.06 -1.40 113.55 112.98 1vdm h SER 45 Ca 0.32 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1vdm h SER 45 Cb 0.03 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1vdm h SER 45 CO -0.05 -0.33 0.01 -0.74 -0.53 0.00 0.00 176.83 175.19 1vdm h HIS 46 N -0.34 0.05 -0.88 2.24 -0.00 -1.07 -0.97 115.15 114.18 1vdm h HIS 46 Ca 0.11 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.56 1vdm h HIS 46 Cb 0.51 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.84 1vdm h HIS 46 CO -0.40 0.26 0.57 0.82 -0.00 0.00 0.00 177.93 179.18 1vdm h ILE 47 N -0.17 1.00 -0.01 6.26 2.04 -1.13 -1.78 117.51 123.71 1vdm h ILE 47 Ca 0.01 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1vdm h ILE 47 Cb 0.23 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1vdm h ILE 47 CO 0.00 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.50 1vdm n LEU 48 N -4.51 0.16 0.00 1.44 4.77 -0.54 -4.84 117.00 113.47 1vdm n LEU 48 Ca 0.14 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1vdm n LEU 48 Cb 0.27 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1vdm n LEU 48 CO 0.32 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1vdm n GLY 49 N 0.91 1.98 3.73 -0.72 0.00 -0.68 -4.65 105.19 105.75 1vdm n GLY 49 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -3.66 -4.77 1.61 9.92 -0.38 -4.94 116.55 114.33 1vdm n ASP 50 Ca 0.00 -0.72 -0.39 0.00 -0.53 0.00 0.00 54.79 53.15 1vdm n ASP 50 Cb 0.00 -4.32 -0.04 0.00 -0.64 0.00 0.00 41.12 36.11 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 -3.43 3.61 0.54 0.53 -4.36 -1.16 -4.96 121.20 111.98 1vdm s ILE 51 Ca 0.36 1.46 -0.18 0.00 -0.26 0.00 0.00 60.65 62.03 1vdm s ILE 51 Cb -0.18 -3.87 -0.13 0.00 1.25 0.00 0.00 42.46 39.54 1vdm s ILE 51 CO 0.79 0.23 0.06 -0.81 0.24 0.00 0.00 174.94 175.45 1vdm n PRO 52 N 0.70 0.15 -4.07 0.37 -0.04 -1.26 -4.76 135.00 126.09 1vdm n PRO 52 Ca 0.01 0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 1vdm n PRO 52 Cb 0.47 -1.22 -0.17 0.00 -0.04 0.00 0.00 33.50 32.54 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 3.73 1.46 0.18 1.53 2.96 -1.26 -2.01 118.68 125.27 1vdm s LEU 53 Ca 0.60 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 54.19 1vdm s LEU 53 Cb -0.47 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 1vdm s LEU 53 CO 0.63 -0.07 0.09 -0.54 -1.32 0.00 0.00 176.35 175.14 1vdm s LYS 54 N 1.46 2.71 0.01 1.98 -0.14 0.57 -4.98 119.74 121.35 1vdm s LYS 54 Ca 0.02 -0.99 0.06 0.00 -1.36 0.00 0.00 55.97 53.69 1vdm s LYS 54 Cb -0.13 -2.52 -0.02 0.00 -1.68 0.00 0.00 37.83 33.48 1vdm s LYS 54 CO -0.07 0.46 -0.18 0.08 -0.76 0.00 0.00 175.35 174.88 1vdm s VAL 55 N -1.81 1.39 -0.02 3.17 1.01 -1.26 -1.25 120.40 121.61 1vdm s VAL 55 Ca 0.30 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1vdm s VAL 55 Cb -0.09 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.12 1vdm s VAL 55 CO 0.22 0.27 0.05 -0.51 0.00 0.00 0.00 175.10 175.13 1vdm s ILE 56 N -0.58 -0.04 -0.25 2.22 2.07 -0.86 -3.93 121.20 119.82 1vdm s ILE 56 Ca 0.06 0.16 0.03 0.00 -1.41 0.00 0.00 60.65 59.49 1vdm s ILE 56 Cb -0.07 -0.10 0.06 0.00 0.13 0.00 0.00 42.46 42.48 1vdm s ILE 56 CO 0.00 0.07 -0.11 -0.62 -1.91 0.00 0.00 174.94 172.37 1vdm s ASP 57 N 0.85 4.31 -0.23 4.50 3.68 -0.41 -0.63 116.67 128.75 1vdm s ASP 57 Ca -0.07 -1.33 -0.06 0.00 2.13 0.00 0.00 52.55 53.22 1vdm s ASP 57 Cb -0.10 -1.51 -0.02 0.00 -1.45 0.00 0.00 42.92 39.83 1vdm s ASP 57 CO -0.03 -0.18 0.03 -0.69 0.13 0.00 0.00 175.17 174.43 1vdm s VAL 58 N 1.14 4.06 0.25 1.11 1.01 -1.26 -0.56 120.40 126.14 1vdm s VAL 58 Ca -0.08 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.73 1vdm s VAL 58 Cb -0.19 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1vdm s VAL 58 CO -0.06 0.39 0.01 -0.54 0.00 0.00 0.00 175.10 174.90 1vdm s LYS 59 N 1.34 2.36 -0.14 2.72 3.01 0.93 -4.94 119.74 125.03 1vdm s LYS 59 Ca 0.05 -1.33 0.00 0.00 -1.01 0.00 0.00 55.97 53.68 1vdm s LYS 59 Cb -0.15 -2.23 0.02 0.00 -1.01 0.00 0.00 37.83 34.47 1vdm s LYS 59 CO 0.02 0.38 -0.13 -0.06 0.51 0.00 0.00 175.35 176.07 1vdm s PHE 60 N -2.19 2.06 0.00 3.18 0.40 -1.26 0.80 117.98 120.97 1vdm s PHE 60 Ca 0.31 -1.14 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 1vdm s PHE 60 Cb -0.07 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.92 1vdm s PHE 60 CO 0.20 -0.65 0.00 0.66 0.70 0.00 0.00 175.22 176.13 1vdm n TYR 61 N 4.80 0.00 -1.66 0.36 0.53 -1.08 -4.93 117.16 115.18 1vdm n TYR 61 Ca -0.16 0.00 -0.45 0.00 -1.02 0.00 0.00 57.90 56.27 1vdm n TYR 61 Cb 0.50 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.79 1vdm n TYR 61 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 1vdm n ARG 67 N 0.00 1.92 0.00 -0.72 0.00 -1.26 -2.15 116.66 114.45 1vdm n ARG 67 Ca 0.00 0.68 0.00 0.00 -0.00 0.00 0.00 57.85 58.53 1vdm n ARG 67 Cb 0.00 -2.28 0.00 0.00 -0.00 0.00 0.00 32.46 30.18 1vdm n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vdm n GLY 68 N 1.77 -3.83 3.80 2.89 0.00 -1.26 -4.96 105.19 103.61 1vdm n GLY 68 Ca 0.10 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 1vdm n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vdm s GLU 69 N -0.91 3.85 -0.03 1.61 2.12 -1.26 -5.10 118.70 118.98 1vdm s GLU 69 Ca 0.00 -0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.25 1vdm s GLU 69 Cb 0.00 -3.30 0.03 0.00 0.26 0.00 0.00 34.13 31.12 1vdm s GLU 69 CO 0.00 0.54 0.05 0.21 -0.54 0.00 0.00 175.26 175.52 1vdm s LYS 70 N -0.37 -0.02 0.31 4.30 2.20 -0.91 -5.00 119.74 120.26 1vdm s LYS 70 Ca 0.14 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.69 1vdm s LYS 70 Cb -0.12 -0.24 -0.10 0.00 -1.51 0.00 0.00 37.83 35.85 1vdm s LYS 70 CO 0.03 -0.17 1.32 -1.25 -0.36 0.00 0.00 175.35 174.92 1vdm s PRO 71 N 1.13 4.35 -0.05 4.03 0.04 -1.26 -2.62 135.00 140.61 1vdm s PRO 71 Ca -0.09 2.22 0.01 0.00 0.04 0.00 0.00 61.00 63.18 1vdm s PRO 71 Cb -0.13 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1vdm s PRO 71 CO -0.04 -0.22 -0.05 0.08 0.04 0.00 0.00 177.00 176.82 1vdm s VAL 72 N -0.91 0.61 -0.69 -0.36 1.01 0.24 -4.97 120.40 115.33 1vdm s VAL 72 Ca 0.51 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 1vdm s VAL 72 Cb -0.40 -0.64 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1vdm s VAL 72 CO 0.51 0.25 0.91 -0.63 0.00 0.00 0.00 175.10 176.14 1vdm s ILE 73 N 1.06 4.57 0.24 2.22 1.01 -1.26 -0.05 121.20 128.99 1vdm s ILE 73 Ca -0.09 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 1vdm s ILE 73 Cb -0.14 -4.64 0.05 0.00 0.01 0.00 0.00 42.46 37.74 1vdm s ILE 73 CO -0.01 -1.36 1.66 0.71 0.00 0.00 0.00 174.94 175.94 1vdm h THR 74 N 5.91 1.27 -3.38 2.92 1.35 -1.20 -3.40 112.91 116.38 1vdm h THR 74 Ca -0.21 -1.32 -0.54 0.00 -0.55 0.00 0.00 66.41 63.79 1vdm h THR 74 Cb 1.07 1.27 -0.39 0.00 -1.73 0.00 0.00 68.15 68.36 1vdm h THR 74 CO 1.14 0.43 -0.77 -0.63 -0.25 0.00 0.00 175.52 175.44 1vdm s ILE 75 N -4.56 0.86 0.48 6.82 1.01 -1.06 -4.94 121.20 119.82 1vdm s ILE 75 Ca -0.08 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 1vdm s ILE 75 Cb 0.13 -1.26 -0.07 0.00 0.01 0.00 0.00 42.46 41.27 1vdm s ILE 75 CO 0.82 -0.14 0.90 -2.16 0.00 0.00 0.00 174.94 174.36 1vdm s PRO 76 N 1.71 3.85 0.28 2.79 0.04 -1.26 -1.28 135.00 141.12 1vdm s PRO 76 Ca -0.02 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 1vdm s PRO 76 Cb -0.17 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 1vdm s PRO 76 CO -0.07 -0.20 1.23 0.42 0.04 0.00 0.00 177.00 178.41 1vdm s ILE 77 N -2.57 3.14 -0.16 0.56 1.01 -1.25 -4.79 121.20 117.14 1vdm s ILE 77 Ca 0.55 1.09 -0.09 0.00 0.00 0.00 0.00 60.65 62.21 1vdm s ILE 77 Cb -0.10 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1vdm s ILE 77 CO 0.33 0.24 0.13 -2.28 0.00 0.00 0.00 174.94 173.36 1vdm s HIS 78 N -0.82 3.49 0.00 3.97 2.46 -1.26 -4.95 115.29 118.17 1vdm s HIS 78 Ca 0.49 0.41 0.00 0.00 0.47 0.00 0.00 55.06 56.43 1vdm s HIS 78 Cb -0.36 -2.06 0.00 0.00 -0.13 0.00 0.00 32.58 30.03 1vdm s HIS 78 CO 0.45 0.48 0.00 0.41 -2.47 0.00 0.00 174.74 173.61 1vdm n GLY 79 N 2.85 -1.80 3.38 1.59 0.00 -1.26 -5.00 105.19 104.95 1vdm n GLY 79 Ca -0.18 -1.85 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 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 2.53 -0.16 1.61 -4.77 -1.26 -5.05 116.67 105.57 1vdm s ASP 80 Ca 0.00 -1.15 0.14 0.00 -3.30 0.00 0.00 52.55 48.25 1vdm s ASP 80 Cb 0.00 -0.13 0.35 0.00 -1.09 0.00 0.00 42.92 42.06 1vdm s ASP 80 CO 0.00 -0.33 1.18 0.18 0.70 0.00 0.00 175.17 176.91 1vdm n LEU 81 N -0.49 2.36 -4.68 2.11 4.77 -1.06 -5.03 117.00 114.97 1vdm n LEU 81 Ca -0.06 -3.37 -0.47 0.00 -0.03 0.00 0.00 56.01 52.09 1vdm n LEU 81 Cb 0.63 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1vdm n LEU 81 CO 0.38 1.05 1.36 1.17 -1.33 0.00 0.00 177.39 180.01 1vdm n LYS 82 N -1.09 2.25 -0.38 3.23 0.00 -1.08 -1.60 118.16 119.49 1vdm n LYS 82 Ca 0.16 0.82 0.00 0.00 0.00 0.00 0.00 58.31 59.29 1vdm n LYS 82 Cb 0.70 -2.64 0.00 0.00 0.00 0.00 0.00 35.03 33.09 1vdm n LYS 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1vdm n ASP 83 N 5.12 0.00 -4.79 3.14 10.43 -1.13 -4.91 116.55 124.41 1vdm n ASP 83 Ca 0.20 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.20 1vdm n ASP 83 Cb 0.30 -0.73 -0.05 0.00 1.84 0.00 0.00 41.12 42.48 1vdm n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1vdm s LYS 84 N -0.17 4.21 -0.53 -1.24 -0.14 -0.63 -4.59 119.74 116.65 1vdm s LYS 84 Ca 0.00 1.42 -0.19 0.00 -1.36 0.00 0.00 55.97 55.84 1vdm s LYS 84 Cb 0.00 -2.50 0.07 0.00 -1.68 0.00 0.00 37.83 33.72 1vdm s LYS 84 CO 0.00 -0.08 0.64 1.03 -0.76 0.00 0.00 175.35 176.18 1vdm s ARG 85 N -2.57 3.09 0.21 1.68 0.52 -1.26 -1.96 118.95 118.66 1vdm s ARG 85 Ca 0.58 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1vdm s ARG 85 Cb -0.19 -4.15 -0.05 0.00 0.52 0.00 0.00 34.95 31.07 1vdm s ARG 85 CO 0.24 -1.31 0.45 0.08 0.02 0.00 0.00 175.30 174.78 1vdm s VAL 86 N 2.60 5.11 -0.14 3.52 1.01 0.39 -1.16 120.40 131.73 1vdm s VAL 86 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1vdm s VAL 86 Cb -0.21 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.52 1vdm s VAL 86 CO 0.10 -0.14 -0.03 -0.69 0.00 0.00 0.00 175.10 174.34 1vdm s VAL 87 N -1.86 0.83 -0.23 2.92 1.01 -0.99 -1.60 120.40 120.49 1vdm s VAL 87 Ca 0.42 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1vdm s VAL 87 Cb -0.11 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1vdm s VAL 87 CO 0.27 0.15 0.49 -0.63 0.00 0.00 0.00 175.10 175.39 1vdm s ILE 88 N 1.76 5.11 -0.14 2.22 1.01 0.58 -0.63 121.20 131.10 1vdm s ILE 88 Ca 0.02 0.87 -0.02 0.00 0.00 0.00 0.00 60.65 61.52 1vdm s ILE 88 Cb -0.14 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1vdm s ILE 88 CO -0.07 0.15 -0.07 -0.69 0.00 0.00 0.00 174.94 174.25 1vdm s VAL 89 N 1.90 3.60 0.14 2.92 1.01 0.52 -0.64 120.40 129.85 1vdm s VAL 89 Ca 0.22 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1vdm s VAL 89 Cb -0.15 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1vdm s VAL 89 CO 0.09 0.51 0.31 -0.62 0.00 0.00 0.00 175.10 175.39 1vdm s ASP 90 N 0.32 -0.03 -0.03 3.32 2.15 -0.89 -1.86 116.67 119.64 1vdm s ASP 90 Ca -0.06 -0.64 -0.21 0.00 0.43 0.00 0.00 52.55 52.07 1vdm s ASP 90 Cb -0.15 0.43 -0.14 0.00 -0.30 0.00 0.00 42.92 42.76 1vdm s ASP 90 CO 0.04 -0.86 0.90 -2.24 -0.17 0.00 0.00 175.17 172.84 1vdm h ASP 91 N 2.53 -0.29 -4.07 -0.34 -0.00 -1.88 -3.08 116.42 109.28 1vdm h ASP 91 Ca -0.32 -0.23 -0.28 0.00 -0.00 0.00 0.00 57.03 56.20 1vdm h ASP 91 Cb 1.23 0.08 -0.27 0.00 -0.00 0.00 0.00 39.33 40.37 1vdm h ASP 91 CO 0.49 0.19 -0.74 0.54 -0.00 0.00 0.00 179.24 179.73 1vdm s VAL 92 N -3.68 0.28 -0.63 4.15 0.11 -1.26 -0.80 120.40 118.58 1vdm s VAL 92 Ca -0.12 -0.34 -0.14 0.00 -2.93 0.00 0.00 61.98 58.45 1vdm s VAL 92 Cb 0.01 -0.28 0.16 0.00 -1.53 0.00 0.00 36.38 34.74 1vdm s VAL 92 CO 0.44 -0.05 0.57 -0.55 -3.33 0.00 0.00 175.10 172.18 1vdm s SER 93 N -0.42 6.30 0.00 3.54 0.15 -0.70 -4.95 113.70 117.62 1vdm s SER 93 Ca -0.02 -2.14 0.00 0.00 0.70 0.00 0.00 55.95 54.49 1vdm s SER 93 Cb -0.03 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1vdm s SER 93 CO -0.00 -0.73 0.00 -0.67 1.20 0.00 0.00 173.24 173.04 1vdm n ASP 94 N 4.72 0.00 0.08 5.45 4.64 -1.26 -1.55 116.55 128.64 1vdm n ASP 94 Ca -0.03 0.00 -0.23 0.00 -1.38 0.00 0.00 54.79 53.15 1vdm n ASP 94 Cb 0.42 0.00 -0.15 0.00 -1.04 0.00 0.00 41.12 40.35 1vdm n ASP 94 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1vdm h THR 95 N 0.00 1.23 0.00 5.18 1.35 -1.92 -3.10 112.91 115.65 1vdm h THR 95 Ca 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1vdm h THR 95 Cb 0.00 2.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1vdm h THR 95 CO 0.00 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 1vdm n GLY 96 N 1.74 0.90 0.23 5.82 0.00 -1.26 0.22 105.19 112.84 1vdm n GLY 96 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1vdm n GLY 96 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vdm h LYS 97 N 1.62 0.00 0.04 1.61 2.10 -1.98 -1.49 116.57 118.47 1vdm h LYS 97 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 1vdm h LYS 97 Cb 0.00 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.35 1vdm h LYS 97 CO 0.00 0.17 -0.69 1.15 -2.00 0.00 0.00 179.45 178.07 1vdm h THR 98 N 0.00 1.44 0.00 0.07 2.02 -1.98 -3.15 112.91 111.31 1vdm h THR 98 Ca -0.00 -2.21 -0.03 0.00 0.77 0.00 0.00 66.41 64.94 1vdm h THR 98 Cb 0.32 2.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1vdm h THR 98 CO 0.02 0.64 -0.14 -0.07 0.37 0.00 0.00 175.52 176.34 1vdm h LEU 99 N -0.13 0.00 -0.25 2.58 3.38 -1.91 -2.56 115.31 116.43 1vdm h LEU 99 Ca -0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1vdm h LEU 99 Cb 1.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1vdm h LEU 99 CO 0.13 0.14 -0.16 -0.33 0.09 0.00 0.00 178.44 178.31 1vdm h GLU 100 N 0.00 0.55 -0.93 1.13 5.08 -1.29 -1.35 114.58 117.77 1vdm h GLU 100 Ca -0.00 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1vdm h GLU 100 Cb 0.28 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1vdm h GLU 100 CO 0.02 0.83 0.55 0.28 -1.00 0.00 0.00 179.01 179.69 1vdm h VAL 101 N 0.26 1.26 -0.35 3.13 2.07 -1.44 -2.48 116.25 118.70 1vdm h VAL 101 Ca 0.05 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 1vdm h VAL 101 Cb 0.69 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1vdm h VAL 101 CO 0.04 0.27 -0.23 0.58 0.02 0.00 0.00 177.57 178.26 1vdm h VAL 102 N 1.28 1.27 -0.40 2.57 2.07 -1.34 -1.37 116.25 120.34 1vdm h VAL 102 Ca 0.33 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.46 1vdm h VAL 102 Cb -0.05 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1vdm h VAL 102 CO -0.06 0.43 -0.09 0.40 0.02 0.00 0.00 177.57 178.27 1vdm h ILE 103 N 0.60 1.24 -0.28 4.57 2.04 -0.95 -0.97 117.51 123.76 1vdm h ILE 103 Ca 0.08 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 1vdm h ILE 103 Cb 0.71 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1vdm h ILE 103 CO 0.05 0.36 -0.14 -0.33 0.00 0.00 0.00 178.15 178.10 1vdm h GLU 104 N 0.63 0.59 -0.45 2.37 5.08 -1.17 -2.24 114.58 119.39 1vdm h GLU 104 Ca 0.11 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1vdm h GLU 104 Cb 0.52 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1vdm h GLU 104 CO 0.03 0.83 0.09 0.93 -1.00 0.00 0.00 179.01 179.89 1vdm h GLU 105 N 0.34 0.69 -0.14 2.33 4.39 -0.99 -1.30 114.58 119.89 1vdm h GLU 105 Ca 0.06 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.47 1vdm h GLU 105 Cb 0.65 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1vdm h GLU 105 CO 0.04 0.64 -0.57 0.28 -1.16 0.00 0.00 179.01 178.25 1vdm h VAL 106 N 0.66 1.34 -0.22 3.13 2.07 -1.11 -3.07 116.25 119.06 1vdm h VAL 106 Ca 0.15 -1.85 -0.16 0.00 0.82 0.00 0.00 66.70 65.66 1vdm h VAL 106 Cb 0.29 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1vdm h VAL 106 CO 0.00 0.56 -0.51 0.11 0.02 0.00 0.00 177.57 177.75 1vdm h LYS 107 N 0.33 0.62 -0.05 1.57 1.57 -0.99 -2.68 116.57 116.94 1vdm h LYS 107 Ca 0.00 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1vdm h LYS 107 Cb 1.09 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1vdm h LYS 107 CO 0.10 0.99 0.10 0.87 -0.57 0.00 0.00 179.45 180.94 1vdm h LYS 108 N 0.49 0.00 -0.63 3.15 1.57 -1.15 0.43 116.57 120.43 1vdm h LYS 108 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1vdm h LYS 108 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1vdm h LYS 108 CO 0.10 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.26 1vdm n LEU 109 N -3.39 3.68 -2.67 2.94 4.77 -1.02 -4.95 117.00 116.36 1vdm n LEU 109 Ca -0.02 -1.85 -0.16 0.00 -0.03 0.00 0.00 56.01 53.95 1vdm n LEU 109 Cb 0.19 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1vdm n LEU 109 CO 0.22 0.77 0.17 0.61 -1.33 0.00 0.00 177.39 177.83 1vdm n GLY 110 N 1.27 -0.10 3.75 -0.72 0.00 0.15 -2.58 105.19 106.97 1vdm n GLY 110 Ca 0.21 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1vdm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdm s ALA 111 N -3.23 3.50 0.00 4.61 0.00 -1.16 -2.85 121.76 122.62 1vdm s ALA 111 Ca 0.39 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1vdm s ALA 111 Cb -0.17 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1vdm s ALA 111 CO 0.51 -0.51 0.33 1.17 0.00 0.00 0.00 175.76 177.27 1vdm n LYS 112 N 1.77 0.00 -4.16 0.00 4.81 -0.83 -4.85 118.16 114.91 1vdm n LYS 112 Ca 0.03 0.37 -0.32 0.00 -0.87 0.00 0.00 58.31 57.51 1vdm n LYS 112 Cb 0.43 -1.06 -0.08 0.00 0.02 0.00 0.00 35.03 34.34 1vdm n LYS 112 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1vdm s GLU 113 N -1.40 2.93 -0.00 1.64 8.01 -1.17 -5.02 118.70 123.69 1vdm s GLU 113 Ca 0.00 -0.56 0.03 0.00 0.01 0.00 0.00 54.97 54.44 1vdm s GLU 113 Cb 0.00 -2.77 -0.01 0.00 -4.31 0.00 0.00 34.13 27.04 1vdm s GLU 113 CO 0.00 0.63 -0.09 0.42 0.01 0.00 0.00 175.26 176.23 1vdm s ILE 114 N -1.18 0.68 0.00 -1.63 1.01 -1.26 -0.46 121.20 118.36 1vdm s ILE 114 Ca 0.22 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 1vdm s ILE 114 Cb -0.12 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 1vdm s ILE 114 CO 0.14 0.17 0.03 -0.75 0.00 0.00 0.00 174.94 174.52 1vdm s LYS 115 N -0.27 0.23 -0.18 2.79 2.47 -0.63 -4.97 119.74 119.19 1vdm s LYS 115 Ca 0.03 -0.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.15 1vdm s LYS 115 Cb -0.04 0.09 0.01 0.00 -1.46 0.00 0.00 37.83 36.43 1vdm s LYS 115 CO -0.00 -0.04 -0.16 0.42 0.16 0.00 0.00 175.35 175.72 1vdm s ILE 116 N -0.82 2.43 -0.16 5.43 1.01 -1.26 -0.31 121.20 127.52 1vdm s ILE 116 Ca -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 1vdm s ILE 116 Cb -0.06 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1vdm s ILE 116 CO -0.00 0.51 -0.11 0.00 0.00 0.00 0.00 174.94 175.34 1vdm s ALA 117 N 1.18 2.66 0.12 9.38 0.00 0.18 -0.17 121.76 135.11 1vdm s ALA 117 Ca 0.02 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1vdm s ALA 117 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1vdm s ALA 117 CO -0.07 0.02 -0.10 0.00 0.00 0.00 0.00 175.76 175.61 1vdm h LEU 119 N 3.23 -0.06 -9.34 0.00 3.38 -1.20 -3.29 115.31 108.03 1vdm h LEU 119 Ca -0.37 -0.57 -0.57 0.00 0.09 0.00 0.00 57.88 56.46 1vdm h LEU 119 Cb 1.19 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 1vdm h LEU 119 CO 0.57 0.66 -0.67 0.00 0.09 0.00 0.00 178.44 179.10 1vdm s ALA 120 N -2.93 2.75 -0.20 1.53 0.00 0.02 -0.17 121.76 122.76 1vdm s ALA 120 Ca -0.13 -2.04 -0.16 0.00 0.00 0.00 0.00 51.96 49.63 1vdm s ALA 120 Cb -0.01 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.23 1vdm s ALA 120 CO 0.49 0.00 0.51 1.41 0.00 0.00 0.00 175.76 178.18 1vdm s MET 121 N -3.66 0.56 -0.13 0.00 1.75 0.13 -1.71 119.30 116.23 1vdm s MET 121 Ca 0.32 0.78 -0.12 0.00 -1.25 0.00 0.00 55.69 55.42 1vdm s MET 121 Cb 0.04 0.20 -0.05 0.00 2.84 0.00 0.00 34.83 37.86 1vdm s MET 121 CO 0.15 -0.10 0.27 0.15 -0.65 0.00 0.00 175.02 174.84 1vdm s LYS 122 N 0.67 4.04 0.62 4.11 1.02 -0.59 -2.77 119.74 126.83 1vdm s LYS 122 Ca -0.03 0.07 0.24 0.00 0.02 0.00 0.00 55.97 56.27 1vdm s LYS 122 Cb -0.05 -3.35 1.10 0.00 -0.52 0.00 0.00 37.83 35.02 1vdm s LYS 122 CO -0.05 0.42 1.56 -1.35 -0.92 0.00 0.00 175.35 175.02 1vdm h PRO 123 N 6.02 0.00 -0.65 -1.68 0.11 -1.89 -1.29 132.00 132.62 1vdm h PRO 123 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1vdm h PRO 123 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1vdm h PRO 123 CO 0.70 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.82 1vdm n TRP 124 N -3.26 0.86 -2.12 0.65 2.14 -1.26 -4.99 117.44 109.47 1vdm n TRP 124 Ca 0.11 -0.43 -0.36 0.00 2.07 0.00 0.00 57.50 58.89 1vdm n TRP 124 Cb 0.99 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 31.51 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 -1.14 2.85 -1.69 -1.67 -1.32 -0.49 -4.86 115.64 107.33 1vdm s THR 125 Ca 0.44 0.55 0.26 0.00 -1.21 0.00 0.00 61.69 61.73 1vdm s THR 125 Cb 0.23 -3.24 0.24 0.00 -1.51 0.00 0.00 72.50 68.22 1vdm s THR 125 CO 0.30 -0.09 1.54 -1.54 -2.21 0.00 0.00 174.62 172.62 1vdm n SER 126 N -1.28 1.00 -3.69 8.08 3.41 0.13 -4.54 113.62 116.74 1vdm n SER 126 Ca 0.12 -0.85 -0.29 0.00 -0.26 0.00 0.00 58.87 57.59 1vdm n SER 126 Cb 0.49 0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.55 1.55 -0.05 -3.33 1.01 -1.26 -5.01 120.40 110.76 1vdm s VAL 127 Ca 0.23 -3.02 -0.30 0.00 0.00 0.00 0.00 61.98 58.89 1vdm s VAL 127 Cb 0.19 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1vdm s VAL 127 CO 0.54 -1.00 1.56 -0.69 0.00 0.00 0.00 175.10 175.50 1vdm s VAL 128 N -0.18 3.65 0.73 2.92 1.01 -1.26 -4.90 120.40 122.35 1vdm s VAL 128 Ca 0.23 0.87 -0.15 0.00 0.00 0.00 0.00 61.98 62.92 1vdm s VAL 128 Cb -0.13 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1vdm s VAL 128 CO -0.09 -0.06 1.24 -2.84 0.00 0.00 0.00 175.10 173.36 1vdm s PRO 129 N 3.54 2.11 0.32 2.72 0.02 -1.26 -4.92 135.00 137.52 1vdm s PRO 129 Ca 0.69 1.87 0.17 0.00 0.02 0.00 0.00 61.00 63.75 1vdm s PRO 129 Cb -0.32 -1.82 0.29 0.00 0.02 0.00 0.00 34.50 32.67 1vdm s PRO 129 CO 0.27 -1.89 1.55 -0.44 -0.33 0.00 0.00 177.00 176.16 1vdm h ASP 130 N -0.20 0.00 -3.32 2.53 5.19 -0.94 -3.43 116.42 116.25 1vdm h ASP 130 Ca -0.48 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.74 1vdm h ASP 130 Cb 1.31 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 40.53 1vdm h ASP 130 CO 0.50 0.45 -0.47 -0.31 -3.12 0.00 0.00 179.24 176.28 1vdm s TYR 131 N -3.17 -0.35 0.19 4.55 1.51 -0.95 -5.01 117.35 114.13 1vdm s TYR 131 Ca 0.03 0.83 -0.18 0.00 -1.01 0.00 0.00 57.07 56.74 1vdm s TYR 131 Cb 0.09 0.06 0.03 0.00 -0.11 0.00 0.00 41.96 42.03 1vdm s TYR 131 CO 0.72 -0.25 0.54 1.52 -1.11 0.00 0.00 175.55 176.97 1vdm s TYR 132 N 1.32 -0.18 0.02 2.71 -0.85 -1.25 -0.54 117.35 118.58 1vdm s TYR 132 Ca -0.09 -0.15 -0.03 0.00 -0.52 0.00 0.00 57.07 56.28 1vdm s TYR 132 Cb -0.10 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.65 1vdm s TYR 132 CO -0.09 -0.92 -0.06 0.28 -1.52 0.00 0.00 175.55 173.25 1vdm n VAL 133 N -0.35 0.95 -3.17 -3.49 0.31 0.76 -5.02 118.33 108.32 1vdm n VAL 133 Ca -0.11 0.23 -0.39 0.00 -0.01 0.00 0.00 64.34 64.06 1vdm n VAL 133 Cb 0.63 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.83 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 -2.13 3.83 -0.07 3.52 0.40 0.50 -4.99 117.98 119.04 1vdm s PHE 134 Ca -0.05 1.38 0.00 0.00 -0.60 0.00 0.00 56.93 57.66 1vdm s PHE 134 Cb 0.01 -2.60 0.02 0.00 0.51 0.00 0.00 43.02 40.97 1vdm s PHE 134 CO 0.07 0.54 -0.06 0.50 0.70 0.00 0.00 175.22 176.98 1vdm s ARG 135 N -1.01 1.13 -0.15 0.44 3.52 -1.26 -0.69 118.95 120.93 1vdm s ARG 135 Ca 0.31 -0.15 -0.33 0.00 -0.13 0.00 0.00 55.73 55.44 1vdm s ARG 135 Cb -0.20 -1.18 0.13 0.00 -1.56 0.00 0.00 34.95 32.14 1vdm s ARG 135 CO 0.21 -0.17 1.12 -0.08 -0.81 0.00 0.00 175.30 175.57 1vdm s THR 136 N 1.34 0.00 -0.85 4.11 -1.32 -1.11 -5.00 115.64 112.81 1vdm s THR 136 Ca -0.03 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.63 1vdm s THR 136 Cb -0.14 -1.00 -0.21 0.00 -1.51 0.00 0.00 72.50 69.64 1vdm s THR 136 CO -0.03 0.00 0.78 -0.62 -2.21 0.00 0.00 174.62 172.55 1vdm n GLU 137 N 0.01 0.72 -1.37 7.08 1.02 -1.26 -4.09 120.64 122.74 1vdm n GLU 137 Ca -0.03 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 1vdm n GLU 137 Cb 0.59 -1.40 0.09 0.00 -0.02 0.00 0.00 31.44 30.70 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 -2.82 2.28 -0.12 3.49 1.02 -1.26 -4.95 119.74 117.38 1vdm s LYS 138 Ca 0.06 1.00 -0.29 0.00 0.02 0.00 0.00 55.97 56.76 1vdm s LYS 138 Cb 0.14 -1.91 -0.05 0.00 -0.52 0.00 0.00 37.83 35.49 1vdm s LYS 138 CO 0.78 -1.58 1.82 -0.46 -0.92 0.00 0.00 175.35 174.99 1vdm s TRP 139 N -2.98 1.70 -0.28 3.18 -0.11 -1.26 -4.88 118.94 114.32 1vdm s TRP 139 Ca 0.61 0.20 -0.11 0.00 1.22 0.00 0.00 56.10 58.02 1vdm s TRP 139 Cb -0.16 -4.03 -0.05 0.00 -1.50 0.00 0.00 33.47 27.73 1vdm s TRP 139 CO 0.56 -4.03 0.18 0.42 -4.62 0.00 0.00 176.95 169.46 1vdm s ILE 140 N 5.27 5.30 -0.27 5.86 1.01 -1.26 -0.98 121.20 136.13 1vdm s ILE 140 Ca 0.81 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 61.53 1vdm s ILE 140 Cb -0.33 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1vdm s ILE 140 CO 0.33 0.26 0.14 -0.69 0.00 0.00 0.00 174.94 174.99 1vdm s VAL 141 N 1.69 4.94 0.23 2.92 1.01 0.04 -4.96 120.40 126.27 1vdm s VAL 141 Ca 0.07 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1vdm s VAL 141 Cb -0.16 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 1vdm s VAL 141 CO 0.10 0.29 0.56 -0.36 0.00 0.00 0.00 175.10 175.69 1vdm s PHE 142 N 1.69 3.43 0.33 5.22 0.40 -1.26 -2.35 117.98 125.43 1vdm s PHE 142 Ca 0.07 0.90 0.08 0.00 -0.60 0.00 0.00 56.93 57.38 1vdm s PHE 142 Cb -0.16 -2.28 0.95 0.00 0.51 0.00 0.00 43.02 42.04 1vdm s PHE 142 CO 0.08 0.27 1.55 -2.30 0.70 0.00 0.00 175.22 175.52 1vdm n PRO 143 N -0.11 -0.07 0.11 0.24 -0.02 -1.23 0.24 135.00 134.16 1vdm n PRO 143 Ca 0.00 1.44 0.12 0.00 -2.02 0.00 0.00 63.50 63.05 1vdm n PRO 143 Cb 0.52 -2.39 0.45 0.00 -0.02 0.00 0.00 33.50 32.07 1vdm n PRO 143 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1vdm n TRP 144 N -5.40 0.85 -2.78 6.00 2.14 -1.26 -4.80 117.44 112.20 1vdm n TRP 144 Ca 0.28 0.29 -0.29 0.00 2.07 0.00 0.00 57.50 59.85 1vdm n TRP 144 Cb 0.93 -0.97 -0.02 0.00 -0.81 0.00 0.00 31.31 30.44 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 -3.20 3.69 0.19 -2.67 2.02 0.14 -5.04 118.70 113.83 1vdm s GLU 145 Ca 0.08 0.38 -0.28 0.00 0.02 0.00 0.00 54.97 55.16 1vdm s GLU 145 Cb 0.11 -2.39 -0.08 0.00 0.10 0.00 0.00 34.13 31.87 1vdm s GLU 145 CO 0.50 -0.09 0.86 -2.00 0.02 0.00 0.00 175.26 174.55 1vdm s GLU 146 N -4.15 4.71 0.09 1.61 2.12 -1.26 -4.79 118.70 117.02 1vdm s GLU 146 Ca 0.50 1.33 -0.31 0.00 0.36 0.00 0.00 54.97 56.85 1vdm s GLU 146 Cb -0.10 -3.28 -0.09 0.00 0.26 0.00 0.00 34.13 30.92 1vdm s GLU 146 CO 0.36 0.52 1.71 -0.06 -0.54 0.00 0.00 175.26 177.25 1vdm s PHE 147 N -1.06 2.34 0.28 5.30 0.40 -1.26 -4.95 117.98 119.03 1vdm s PHE 147 Ca 0.39 0.21 -0.29 0.00 -0.60 0.00 0.00 56.93 56.64 1vdm s PHE 147 Cb -0.24 -4.03 -0.10 0.00 0.51 0.00 0.00 43.02 39.16 1vdm s PHE 147 CO 0.29 -4.17 1.10 -2.14 0.70 0.00 0.00 175.22 171.00 1vdm s PRO 148 N 2.67 4.63 -0.18 0.24 0.02 -1.26 -5.03 135.00 136.09 1vdm s PRO 148 Ca 0.76 1.81 -0.04 0.00 0.02 0.00 0.00 61.00 63.55 1vdm s PRO 148 Cb -0.42 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 30.90 1vdm s PRO 148 CO 0.34 0.20 -0.02 0.08 -0.33 0.00 0.00 177.00 177.26 1vdm s VAL 149 N -1.17 3.88 -0.22 3.83 1.01 -1.26 -5.08 120.40 121.39 1vdm s VAL 149 Ca 0.45 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 1vdm s VAL 149 Cb -0.32 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1vdm s VAL 149 CO 0.41 0.46 0.83 -0.63 0.00 0.00 0.00 175.10 176.17 1vdm s ILE 150 N 0.74 4.85 0.44 2.22 1.09 -1.26 -5.05 121.20 124.24 1vdm s ILE 150 Ca -0.01 1.58 0.06 0.00 -1.10 0.00 0.00 60.65 61.19 1vdm s ILE 150 Cb -0.14 -4.12 -0.03 0.00 -1.06 0.00 0.00 42.46 37.11 1vdm s ILE 150 CO 0.02 -0.05 0.23 -1.61 -0.10 0.00 0.00 174.94 173.43 1vdm s GLU 151 N 2.65 2.26 0.00 2.79 2.02 -1.26 -5.36 118.70 121.80 1vdm s GLU 151 Ca 0.36 -1.89 0.27 0.00 0.02 0.00 0.00 54.97 53.73 1vdm s GLU 151 Cb -0.16 -2.00 0.93 0.00 0.10 0.00 0.00 34.13 33.01 1vdm s GLU 151 CO 0.09 -0.23 1.68 1.63 0.02 0.00 0.00 175.26 178.44