#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdm n ASP 2 N 0.00 3.06 -4.67 7.83 5.68 -1.26 -4.89 116.55 122.29 1vdm n ASP 2 Ca 0.00 -2.30 -0.27 0.00 -0.50 0.00 0.00 54.79 51.72 1vdm n ASP 2 Cb 0.00 -0.46 -0.08 0.00 -1.14 0.00 0.00 41.12 39.44 1vdm n ASP 2 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1vdm s LYS 3 N -1.75 2.44 -0.34 0.11 1.02 -1.26 -4.34 119.74 115.62 1vdm s LYS 3 Ca 0.30 -1.05 -0.13 0.00 0.02 0.00 0.00 55.97 55.11 1vdm s LYS 3 Cb 0.20 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1vdm s LYS 3 CO 0.13 0.47 0.23 0.08 -0.92 0.00 0.00 175.35 175.35 1vdm s VAL 4 N -1.64 5.24 -0.58 3.17 1.01 -0.75 -5.00 120.40 121.85 1vdm s VAL 4 Ca 0.27 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1vdm s VAL 4 Cb -0.10 -3.68 0.15 0.00 0.00 0.00 0.00 36.38 32.74 1vdm s VAL 4 CO 0.19 0.00 0.52 -0.31 0.00 0.00 0.00 175.10 175.50 1vdm s TYR 5 N 1.72 3.37 0.01 5.22 1.51 -1.26 -0.52 117.35 127.39 1vdm s TYR 5 Ca 0.06 -1.53 -0.30 0.00 -1.01 0.00 0.00 57.07 54.29 1vdm s TYR 5 Cb -0.17 -3.75 -0.05 0.00 -0.11 0.00 0.00 41.96 37.87 1vdm s TYR 5 CO 0.10 -1.01 1.32 -0.51 -1.11 0.00 0.00 175.55 174.34 1vdm s LEU 6 N 1.28 4.32 0.72 -1.29 1.43 -0.96 -5.00 118.68 119.18 1vdm s LEU 6 Ca 0.06 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.09 1vdm s LEU 6 Cb -0.26 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.42 1vdm s LEU 6 CO 0.00 -0.64 1.11 0.42 0.23 0.00 0.00 176.35 177.47 1vdm s THR 7 N 2.01 3.29 0.30 5.49 -4.23 -1.26 -2.98 115.64 118.26 1vdm s THR 7 Ca 0.61 0.42 0.06 0.00 -1.18 0.00 0.00 61.69 61.60 1vdm s THR 7 Cb -0.30 -3.40 0.05 0.00 1.34 0.00 0.00 72.50 70.19 1vdm s THR 7 CO 0.26 -0.55 1.72 -0.50 -0.54 0.00 0.00 174.62 175.02 1vdm h TRP 8 N -0.72 0.34 0.00 3.99 4.06 -1.96 -1.95 115.95 119.70 1vdm h TRP 8 Ca -0.45 -0.08 -0.08 0.00 2.06 0.00 0.00 58.89 60.33 1vdm h TRP 8 Cb 1.26 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 1vdm h TRP 8 CO 0.48 0.61 -0.40 2.35 -3.56 0.00 0.00 178.44 177.92 1vdm h TRP 9 N 0.25 0.00 -0.02 0.49 -0.00 -1.98 0.26 115.95 114.95 1vdm h TRP 9 Ca 0.03 0.00 -0.22 0.00 -0.00 0.00 0.00 58.89 58.70 1vdm h TRP 9 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.90 1vdm h TRP 9 CO 0.02 0.40 -0.89 1.96 -0.00 0.00 0.00 178.44 179.93 1vdm h GLN 10 N 0.00 0.41 -0.21 2.65 4.20 -1.82 -1.55 115.11 118.79 1vdm h GLN 10 Ca -0.00 -0.42 -0.17 0.00 0.06 0.00 0.00 58.65 58.12 1vdm h GLN 10 Cb 0.78 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1vdm h GLN 10 CO 0.05 1.08 -0.56 0.28 -0.67 0.00 0.00 178.83 179.01 1vdm h VAL 11 N 0.25 1.31 0.08 -0.54 2.07 -0.92 -0.69 116.25 117.80 1vdm h VAL 11 Ca -0.07 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 65.65 1vdm h VAL 11 Cb 1.52 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1vdm h VAL 11 CO 0.15 0.57 -0.04 0.44 0.02 0.00 0.00 177.57 178.71 1vdm h ASP 12 N 0.48 -0.09 -0.71 0.57 3.32 -0.48 -1.81 116.42 117.70 1vdm h ASP 12 Ca 0.01 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1vdm h ASP 12 Cb 1.12 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 1vdm h ASP 12 CO 0.11 0.26 0.35 0.03 -1.72 0.00 0.00 179.24 178.27 1vdm h ARG 13 N -0.46 1.04 -0.03 3.56 3.08 -1.30 -1.07 114.38 119.19 1vdm h ARG 13 Ca -0.01 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1vdm h ARG 13 Cb 0.39 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1vdm h ARG 13 CO 0.02 0.80 -0.21 0.00 -1.07 0.00 0.00 179.97 179.50 1vdm h ALA 14 N 1.35 1.58 0.03 0.04 0.00 -1.06 -2.09 119.26 119.12 1vdm h ALA 14 Ca 0.25 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1vdm h ALA 14 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1vdm h ALA 14 CO -0.03 0.31 -1.01 0.82 0.00 0.00 0.00 179.25 179.34 1vdm h ILE 15 N 0.05 1.43 -0.13 0.00 2.04 -0.39 -2.62 117.51 117.89 1vdm h ILE 15 Ca 0.01 -2.60 -0.11 0.00 1.00 0.00 0.00 64.86 63.16 1vdm h ILE 15 Cb 0.41 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1vdm h ILE 15 CO 0.03 0.77 -0.41 -0.26 0.00 0.00 0.00 178.15 178.28 1vdm h PHE 16 N 0.18 0.34 -0.33 1.37 0.05 -0.82 -1.84 116.94 115.89 1vdm h PHE 16 Ca -0.09 -0.09 -0.07 0.00 3.82 0.00 0.00 57.97 61.54 1vdm h PHE 16 Cb 1.66 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 39.53 1vdm h PHE 16 CO 0.06 0.66 -0.05 0.00 -0.18 0.00 0.00 178.31 178.80 1vdm h ALA 17 N 1.33 0.45 0.00 2.45 0.00 -1.39 -2.80 119.26 119.30 1vdm h ALA 17 Ca 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1vdm h ALA 17 Cb 0.83 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1vdm h ALA 17 CO 0.07 0.26 -0.30 -0.07 0.00 0.00 0.00 179.25 179.22 1vdm h LEU 18 N 0.41 0.00 -0.40 0.00 3.38 -1.31 -2.93 115.31 114.46 1vdm h LEU 18 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1vdm h LEU 18 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1vdm h LEU 18 CO 0.03 0.30 0.04 0.00 0.09 0.00 0.00 178.44 178.90 1vdm h ALA 19 N 1.70 0.53 -0.68 1.53 0.00 -1.09 -0.75 119.26 120.51 1vdm h ALA 19 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1vdm h ALA 19 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1vdm h ALA 19 CO 0.04 0.26 0.39 0.93 0.00 0.00 0.00 179.25 180.87 1vdm h GLU 20 N 0.51 0.93 -0.20 0.00 4.39 -1.32 -0.67 114.58 118.23 1vdm h GLU 20 Ca 0.12 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 1vdm h GLU 20 Cb 0.40 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1vdm h GLU 20 CO 0.01 0.68 -0.42 0.87 -1.16 0.00 0.00 179.01 179.00 1vdm h LYS 21 N 0.92 0.46 0.00 2.33 6.56 -1.47 -3.14 116.57 122.24 1vdm h LYS 21 Ca 0.24 -0.24 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 1vdm h LYS 21 Cb 0.01 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1vdm h LYS 21 CO -0.04 0.80 -0.45 -0.07 -2.06 0.00 0.00 179.45 177.63 1vdm h LEU 22 N 0.38 0.00 -1.21 2.94 3.38 -0.61 -3.03 115.31 117.16 1vdm h LEU 22 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1vdm h LEU 22 Cb 0.90 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1vdm h LEU 22 CO 0.08 0.45 0.51 0.03 0.09 0.00 0.00 178.44 179.60 1vdm h ARG 23 N 0.00 1.04 -0.94 1.13 3.08 -1.08 -0.80 114.38 116.81 1vdm h ARG 23 Ca -0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1vdm h ARG 23 Cb 0.92 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1vdm h ARG 23 CO 0.06 0.70 0.57 0.93 -1.07 0.00 0.00 179.97 181.16 1vdm h GLU 24 N 1.07 1.27 0.00 0.04 5.08 -1.64 -1.91 114.58 118.48 1vdm h GLU 24 Ca 0.29 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1vdm h GLU 24 Cb -0.10 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.87 1vdm h GLU 24 CO -0.06 0.88 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.68 1vdm h TYR 25 N 1.29 0.00 -5.81 4.33 3.20 -1.35 -3.48 116.97 115.15 1vdm h TYR 25 Ca 0.34 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 62.05 1vdm h TYR 25 Cb -0.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1vdm h TYR 25 CO 0.00 0.23 -0.49 1.63 -1.64 0.00 0.00 178.16 177.89 1vdm n LYS 26 N -3.31 -1.65 -2.21 1.82 5.02 -0.41 -4.92 118.16 112.50 1vdm n LYS 26 Ca 0.01 1.44 -0.38 0.00 -2.02 0.00 0.00 58.31 57.36 1vdm n LYS 26 Cb 0.48 -4.53 -0.01 0.00 -0.02 0.00 0.00 35.03 30.95 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 -3.33 3.90 -0.11 1.97 0.02 -1.26 -4.81 135.00 131.38 1vdm s PRO 27 Ca 0.09 1.90 0.19 0.00 0.02 0.00 0.00 61.00 63.20 1vdm s PRO 27 Cb -0.02 -2.59 -0.26 0.00 0.02 0.00 0.00 34.50 31.64 1vdm s PRO 27 CO 0.80 -0.46 0.31 -0.25 -0.33 0.00 0.00 177.00 177.06 1vdm n ASP 28 N -0.13 0.12 -3.62 2.53 10.43 0.14 -4.98 116.55 121.04 1vdm n ASP 28 Ca 0.05 0.05 -0.15 0.00 2.57 0.00 0.00 54.79 57.31 1vdm n ASP 28 Cb 0.46 1.21 -0.07 0.00 1.84 0.00 0.00 41.12 44.56 1vdm n ASP 28 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1vdm s VAL 29 N -2.88 0.01 -0.16 2.53 0.11 -1.14 -4.35 120.40 114.52 1vdm s VAL 29 Ca -0.08 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1vdm s VAL 29 Cb 0.09 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1vdm s VAL 29 CO 0.85 -0.04 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.93 1vdm s ILE 30 N -0.53 4.04 -0.42 7.04 1.01 -0.67 -2.19 121.20 129.49 1vdm s ILE 30 Ca -0.06 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 1vdm s ILE 30 Cb -0.03 -2.78 0.08 0.00 0.01 0.00 0.00 42.46 39.75 1vdm s ILE 30 CO 0.05 0.49 0.25 -0.63 0.00 0.00 0.00 174.94 175.10 1vdm s ILE 31 N 0.31 4.04 -0.04 2.92 1.01 -0.12 -0.63 121.20 128.70 1vdm s ILE 31 Ca -0.03 -1.51 -0.28 0.00 0.00 0.00 0.00 60.65 58.84 1vdm s ILE 31 Cb -0.14 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1vdm s ILE 31 CO 0.02 -0.53 0.88 -0.83 0.00 0.00 0.00 174.94 174.49 1vdm s GLY 32 N 2.08 2.74 -0.36 6.18 0.00 0.03 -1.47 107.32 116.52 1vdm s GLY 32 Ca 0.03 0.37 -0.13 0.00 0.00 0.00 0.00 44.72 44.99 1vdm s GLY 32 CO 0.01 1.54 0.25 0.14 0.00 0.00 0.00 173.10 175.04 1vdm s VAL 33 N 1.06 5.18 0.74 1.40 1.01 -0.46 -1.97 120.40 127.35 1vdm s VAL 33 Ca 0.46 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 1vdm s VAL 33 Cb -0.20 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1vdm s VAL 33 CO 0.23 -0.11 1.13 0.00 0.00 0.00 0.00 175.10 176.36 1vdm s ALA 34 N 1.69 2.19 -0.25 5.51 0.00 -0.87 -1.56 121.76 128.47 1vdm s ALA 34 Ca 0.05 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 1vdm s ALA 34 Cb -0.18 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 1vdm s ALA 34 CO 0.10 -1.76 -0.22 0.54 0.00 0.00 0.00 175.76 174.42 1vdm n ARG 35 N -3.03 0.57 0.21 0.00 5.12 -1.26 -4.64 116.66 113.63 1vdm n ARG 35 Ca 0.11 0.34 0.14 0.00 -1.93 0.00 0.00 57.85 56.51 1vdm n ARG 35 Cb 0.52 -1.55 0.74 0.00 -1.16 0.00 0.00 32.46 31.01 1vdm n ARG 35 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1vdm h GLY 36 N -1.00 0.00 2.00 -0.13 0.00 -2.02 -0.95 103.07 100.97 1vdm h GLY 36 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1vdm h GLY 36 CO -0.32 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 174.89 1vdm h GLY 37 N 0.09 0.00 1.47 4.60 0.00 -1.55 -2.92 103.07 104.75 1vdm h GLY 37 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1vdm h GLY 37 CO 0.00 0.00 -0.78 1.41 0.00 0.00 0.00 176.54 177.17 1vdm h LEU 38 N 0.00 0.62 -0.18 3.11 3.38 -1.27 -2.19 115.31 118.78 1vdm h LEU 38 Ca 0.00 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1vdm h LEU 38 Cb 0.23 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1vdm h LEU 38 CO 0.00 1.19 -0.20 0.40 0.09 0.00 0.00 178.44 179.91 1vdm h ILE 39 N 0.34 0.48 -0.45 1.22 5.03 -1.71 0.95 117.51 123.37 1vdm h ILE 39 Ca -0.05 0.00 -0.14 0.00 -0.12 0.00 0.00 64.86 64.56 1vdm h ILE 39 Cb 1.38 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 35.63 1vdm h ILE 39 CO 0.14 0.00 -0.26 -0.65 -0.68 0.00 0.00 178.15 176.70 1vdm h PRO 40 N -0.24 0.97 -0.72 2.37 0.11 -1.72 -2.81 132.00 129.97 1vdm h PRO 40 Ca 0.11 -0.44 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1vdm h PRO 40 Cb 0.41 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 1vdm h PRO 40 CO -0.31 1.11 0.40 0.00 -0.21 0.00 0.00 178.00 178.99 1vdm h ALA 41 N 0.83 0.92 0.12 -0.75 0.00 -1.02 -1.01 119.26 118.35 1vdm h ALA 41 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1vdm h ALA 41 Cb 0.85 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vdm h ALA 41 CO 0.07 0.43 -0.06 0.28 0.00 0.00 0.00 179.25 179.98 1vdm h VAL 42 N 0.99 1.00 -0.73 0.00 2.07 -0.86 -1.15 116.25 117.57 1vdm h VAL 42 Ca 0.25 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1vdm h VAL 42 Cb 0.03 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1vdm h VAL 42 CO -0.04 0.11 0.40 0.03 0.02 0.00 0.00 177.57 178.09 1vdm h ARG 43 N -0.36 0.69 -0.09 1.57 3.08 -1.37 -1.23 114.38 116.68 1vdm h ARG 43 Ca -0.02 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1vdm h ARG 43 Cb 0.29 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1vdm h ARG 43 CO 0.03 0.46 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.92 1vdm h LEU 44 N 0.71 0.20 -0.86 3.04 3.38 -1.11 -1.19 115.31 119.48 1vdm h LEU 44 Ca 0.34 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1vdm h LEU 44 Cb 0.26 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1vdm h LEU 44 CO -0.22 0.58 0.57 -1.28 0.09 0.00 0.00 178.44 178.19 1vdm h SER 45 N 0.16 0.98 0.24 -0.43 0.87 -0.01 -0.36 113.55 114.99 1vdm h SER 45 Ca 0.02 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1vdm h SER 45 Cb 0.78 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1vdm h SER 45 CO 0.06 0.70 -0.11 0.45 -0.53 0.00 0.00 176.83 177.39 1vdm h HIS 46 N 1.15 -0.29 -0.72 2.24 3.86 -1.04 0.44 115.15 120.78 1vdm h HIS 46 Ca 0.32 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.63 1vdm h HIS 46 Cb -0.10 0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1vdm h HIS 46 CO -0.01 0.08 0.48 0.82 0.86 0.00 0.00 177.93 180.15 1vdm h ILE 47 N -0.89 0.90 -0.66 2.45 2.04 -1.18 -2.55 117.51 117.62 1vdm h ILE 47 Ca -0.03 -0.19 -0.41 0.00 1.00 0.00 0.00 64.86 65.23 1vdm h ILE 47 Cb 0.50 0.29 -0.17 0.00 -0.74 0.00 0.00 36.82 36.71 1vdm h ILE 47 CO 0.05 0.10 0.50 0.18 0.00 0.00 0.00 178.15 178.99 1vdm n LEU 48 N -4.49 6.70 -3.06 1.44 4.77 -0.15 -4.83 117.00 117.38 1vdm n LEU 48 Ca 0.12 -3.59 -0.17 0.00 -0.03 0.00 0.00 56.01 52.35 1vdm n LEU 48 Cb 0.38 -1.07 0.07 0.00 -2.33 0.00 0.00 43.42 40.48 1vdm n LEU 48 CO 0.33 1.34 0.14 0.61 -1.33 0.00 0.00 177.39 178.48 1vdm n GLY 49 N 0.19 -0.26 3.92 -0.72 0.00 -0.97 -3.75 105.19 103.60 1vdm n GLY 49 Ca 0.38 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.58 -0.68 -4.76 1.61 10.43 0.12 -4.94 116.55 115.74 1vdm n ASP 50 Ca -0.14 -0.99 -0.40 0.00 2.57 0.00 0.00 54.79 55.83 1vdm n ASP 50 Cb 0.60 -3.15 -0.05 0.00 1.84 0.00 0.00 41.12 40.37 1vdm n ASP 50 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1vdm s ILE 51 N -3.91 3.66 0.22 0.53 -4.36 -1.05 -4.94 121.20 111.34 1vdm s ILE 51 Ca 0.03 1.60 -0.31 0.00 -0.26 0.00 0.00 60.65 61.71 1vdm s ILE 51 Cb -0.01 -3.99 -0.15 0.00 1.25 0.00 0.00 42.46 39.56 1vdm s ILE 51 CO 0.88 0.33 1.07 -0.81 0.24 0.00 0.00 174.94 176.65 1vdm n PRO 52 N 1.05 1.15 -4.48 0.37 -0.04 -1.26 -4.71 135.00 127.08 1vdm n PRO 52 Ca -0.00 0.41 -0.34 0.00 -0.04 0.00 0.00 63.50 63.53 1vdm n PRO 52 Cb 0.46 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.73 3.18 0.11 1.53 2.96 -1.26 -1.66 118.68 124.27 1vdm s LEU 53 Ca 0.67 -0.13 0.10 0.00 -0.22 0.00 0.00 54.13 54.55 1vdm s LEU 53 Cb -0.80 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1vdm s LEU 53 CO 0.55 0.20 -0.24 -0.54 -1.32 0.00 0.00 176.35 175.00 1vdm s LYS 54 N 0.17 1.58 -0.04 1.98 1.02 0.20 -4.99 119.74 119.67 1vdm s LYS 54 Ca -0.03 -1.26 0.06 0.00 0.02 0.00 0.00 55.97 54.77 1vdm s LYS 54 Cb -0.14 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.17 1vdm s LYS 54 CO 0.03 0.47 -0.22 0.08 -0.92 0.00 0.00 175.35 174.79 1vdm s VAL 55 N -1.06 2.37 -0.01 3.17 1.01 -1.26 -0.79 120.40 123.82 1vdm s VAL 55 Ca 0.15 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1vdm s VAL 55 Cb -0.10 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 1vdm s VAL 55 CO 0.07 0.58 -0.07 -0.51 0.00 0.00 0.00 175.10 175.17 1vdm s ILE 56 N -0.56 0.62 -0.12 2.22 2.07 -0.83 -4.18 121.20 120.40 1vdm s ILE 56 Ca 0.08 -0.30 -0.00 0.00 -1.41 0.00 0.00 60.65 59.02 1vdm s ILE 56 Cb -0.11 -0.54 0.02 0.00 0.13 0.00 0.00 42.46 41.96 1vdm s ILE 56 CO 0.00 0.19 -0.10 -0.62 -1.91 0.00 0.00 174.94 172.50 1vdm s ASP 57 N 0.04 2.35 -0.09 4.50 3.68 -0.63 -2.05 116.67 124.47 1vdm s ASP 57 Ca -0.00 -0.37 0.02 0.00 2.13 0.00 0.00 52.55 54.33 1vdm s ASP 57 Cb -0.06 -0.96 -0.02 0.00 -1.45 0.00 0.00 42.92 40.43 1vdm s ASP 57 CO -0.00 -0.09 -0.14 -0.69 0.13 0.00 0.00 175.17 174.38 1vdm s VAL 58 N 1.60 3.01 -0.09 1.11 1.01 -1.26 -1.54 120.40 124.25 1vdm s VAL 58 Ca 0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1vdm s VAL 58 Cb -0.13 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1vdm s VAL 58 CO -0.09 0.56 -0.04 -0.75 0.00 0.00 0.00 175.10 174.78 1vdm s LYS 59 N -0.14 1.04 -0.52 2.72 2.20 -0.35 -4.96 119.74 119.73 1vdm s LYS 59 Ca -0.01 -0.07 -0.17 0.00 -0.36 0.00 0.00 55.97 55.36 1vdm s LYS 59 Cb -0.14 -1.25 0.09 0.00 -1.51 0.00 0.00 37.83 35.02 1vdm s LYS 59 CO 0.03 -0.28 0.53 -0.06 -0.36 0.00 0.00 175.35 175.22 1vdm s PHE 60 N 1.81 3.15 0.68 4.03 0.40 -1.26 -1.26 117.98 125.53 1vdm s PHE 60 Ca 0.04 -0.93 -0.09 0.00 -0.60 0.00 0.00 56.93 55.35 1vdm s PHE 60 Cb -0.12 -3.57 0.02 0.00 0.51 0.00 0.00 43.02 39.86 1vdm s PHE 60 CO -0.06 -1.00 1.03 0.71 0.70 0.00 0.00 175.22 176.60 1vdm s TYR 61 N 2.06 3.24 0.00 0.36 4.12 -1.26 -5.07 117.35 120.80 1vdm s TYR 61 Ca 0.08 0.84 0.00 0.00 0.02 0.00 0.00 57.07 58.01 1vdm s TYR 61 Cb -0.24 -3.01 0.00 0.00 -1.52 0.00 0.00 41.96 37.19 1vdm s TYR 61 CO 0.07 -1.13 0.00 1.17 0.02 0.00 0.00 175.55 175.68 1vdm n LYS 62 N -2.89 0.00 -2.13 -0.62 0.00 -1.26 -4.82 118.16 106.45 1vdm n LYS 62 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.95 1vdm n LYS 62 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.58 1vdm n LYS 62 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1vdm s GLY 63 N 0.00 1.69 0.01 3.14 0.00 -1.26 -4.50 107.32 106.41 1vdm s GLY 63 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.64 1vdm s GLY 63 CO 0.00 2.72 0.00 1.18 0.00 0.00 0.00 173.10 177.00 1vdm n GLU 66 N 5.99 -0.09 -0.75 2.90 1.02 -1.26 -5.09 120.64 123.36 1vdm n GLU 66 Ca 0.15 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1vdm n GLU 66 Cb 0.43 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 1vdm n GLU 66 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1vdm n ARG 67 N -2.03 -0.15 -4.59 3.49 1.85 -1.26 -4.90 116.66 109.07 1vdm n ARG 67 Ca -0.00 0.04 -0.22 0.00 -1.00 0.00 0.00 57.85 56.67 1vdm n ARG 67 Cb 0.01 -3.70 -0.15 0.00 -1.05 0.00 0.00 32.46 27.57 1vdm n ARG 67 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1vdm s GLY 68 N -2.00 0.66 0.30 2.89 0.00 -1.26 -4.99 107.32 102.92 1vdm s GLY 68 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1vdm s GLY 68 CO 0.00 -0.50 0.00 -1.84 0.00 0.00 0.00 173.10 170.76 1vdm n GLU 69 N 2.69 0.00 -0.18 2.90 0.28 -1.26 -5.00 120.64 120.07 1vdm n GLU 69 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 1vdm n GLU 69 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1vdm n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1vdm n LYS 70 N -3.49 0.00 -1.67 3.44 5.02 -1.26 -5.04 118.16 115.16 1vdm n LYS 70 Ca 0.00 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.78 1vdm n LYS 70 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1vdm n LYS 70 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1vdm n PRO 71 N 0.00 1.76 -4.28 1.97 -0.04 -1.26 -4.54 135.00 128.61 1vdm n PRO 71 Ca 0.00 0.64 -0.34 0.00 -0.04 0.00 0.00 63.50 63.76 1vdm n PRO 71 Cb 0.00 -2.40 -0.09 0.00 -0.04 0.00 0.00 33.50 30.97 1vdm n PRO 71 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1vdm s VAL 72 N 2.70 4.38 -0.76 0.52 1.01 -0.39 -4.95 120.40 122.90 1vdm s VAL 72 Ca 0.90 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 1vdm s VAL 72 Cb -0.82 -2.91 0.20 0.00 0.00 0.00 0.00 36.38 32.85 1vdm s VAL 72 CO 0.51 0.50 0.69 -0.63 0.00 0.00 0.00 175.10 176.17 1vdm s ILE 73 N -1.00 5.37 0.11 2.22 1.01 -1.26 -1.22 121.20 126.43 1vdm s ILE 73 Ca 0.17 -2.36 -0.30 0.00 0.00 0.00 0.00 60.65 58.16 1vdm s ILE 73 Cb -0.12 -4.35 -0.10 0.00 0.01 0.00 0.00 42.46 37.91 1vdm s ILE 73 CO 0.07 -0.99 1.61 0.74 0.00 0.00 0.00 174.94 176.37 1vdm h THR 74 N 5.01 0.26 -3.76 2.92 2.02 -1.65 -3.38 112.91 114.32 1vdm h THR 74 Ca 0.03 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.53 1vdm h THR 74 Cb 1.04 0.26 -0.34 0.00 -1.74 0.00 0.00 68.15 67.37 1vdm h THR 74 CO 0.79 0.00 -0.73 -0.63 0.37 0.00 0.00 175.52 175.32 1vdm s ILE 75 N -5.98 2.77 0.64 3.11 1.01 -1.22 -4.95 121.20 116.57 1vdm s ILE 75 Ca -0.16 -1.40 -0.06 0.00 0.00 0.00 0.00 60.65 59.02 1vdm s ILE 75 Cb 0.07 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.99 1vdm s ILE 75 CO 0.64 -0.05 0.95 -2.16 0.00 0.00 0.00 174.94 174.32 1vdm s PRO 76 N 1.22 2.68 -0.11 2.79 0.04 -1.26 -1.60 135.00 138.77 1vdm s PRO 76 Ca -0.06 -0.05 -0.00 0.00 0.04 0.00 0.00 61.00 60.93 1vdm s PRO 76 Cb -0.19 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1vdm s PRO 76 CO -0.02 -0.90 -0.09 0.96 0.04 0.00 0.00 177.00 176.99 1vdm s ILE 77 N -3.10 3.48 0.44 0.56 -4.36 -1.26 -4.77 121.20 112.19 1vdm s ILE 77 Ca 0.56 -0.53 0.01 0.00 -0.26 0.00 0.00 60.65 60.43 1vdm s ILE 77 Cb -0.11 -2.45 -0.00 0.00 1.25 0.00 0.00 42.46 41.15 1vdm s ILE 77 CO 0.45 0.55 0.03 1.41 0.24 0.00 0.00 174.94 177.63 1vdm n HIS 78 N 2.94 0.83 -0.32 1.37 8.25 -1.26 -5.05 115.22 121.99 1vdm n HIS 78 Ca -0.18 -2.30 0.00 0.00 -0.26 0.00 0.00 57.72 54.98 1vdm n HIS 78 Cb 0.53 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1vdm n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vdm n GLY 79 N -0.50 -3.49 3.81 -1.41 0.00 -1.26 -4.94 105.19 97.40 1vdm n GLY 79 Ca -0.16 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.64 6.25 -0.06 1.61 3.84 -1.26 -4.95 116.67 120.46 1vdm s ASP 80 Ca 0.00 1.79 0.17 0.00 -0.00 0.00 0.00 52.55 54.51 1vdm s ASP 80 Cb 0.00 -2.54 0.57 0.00 -1.38 0.00 0.00 42.92 39.57 1vdm s ASP 80 CO 0.00 -0.84 1.48 0.18 -0.00 0.00 0.00 175.17 175.99 1vdm n LEU 81 N -1.45 3.97 -4.69 2.11 4.77 -0.72 -5.00 117.00 115.99 1vdm n LEU 81 Ca 0.08 -2.29 -0.55 0.00 -0.03 0.00 0.00 56.01 53.23 1vdm n LEU 81 Cb 0.53 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1vdm n LEU 81 CO 0.43 0.82 1.29 1.17 -1.33 0.00 0.00 177.39 179.77 1vdm n LYS 82 N 0.89 1.33 -2.84 3.23 3.00 -1.24 -1.60 118.16 120.93 1vdm n LYS 82 Ca 0.21 0.49 -0.10 0.00 -0.00 0.00 0.00 58.31 58.90 1vdm n LYS 82 Cb 0.70 -2.19 0.05 0.00 0.00 0.00 0.00 35.03 33.59 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 5.10 -2.17 -3.79 3.14 10.43 -1.26 -4.90 116.55 123.11 1vdm n ASP 83 Ca 0.25 -0.38 -0.13 0.00 2.57 0.00 0.00 54.79 57.10 1vdm n ASP 83 Cb 0.17 -3.28 -0.12 0.00 1.84 0.00 0.00 41.12 39.72 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 -4.76 0.21 -0.42 -1.24 1.02 -0.63 -4.91 119.74 109.01 1vdm s LYS 84 Ca 0.01 0.32 -0.24 0.00 0.02 0.00 0.00 55.97 56.08 1vdm s LYS 84 Cb -0.00 0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1vdm s LYS 84 CO 0.44 -0.06 0.83 1.03 -0.92 0.00 0.00 175.35 176.67 1vdm s ARG 85 N 0.37 3.58 -0.03 1.68 0.52 -1.26 -2.00 118.95 121.80 1vdm s ARG 85 Ca -0.02 0.15 -0.03 0.00 -0.52 0.00 0.00 55.73 55.30 1vdm s ARG 85 Cb -0.04 -3.89 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 1vdm s ARG 85 CO -0.02 -1.05 0.16 0.08 0.02 0.00 0.00 175.30 174.49 1vdm s VAL 86 N 3.37 5.34 -0.06 3.52 1.01 -0.39 0.29 120.40 133.48 1vdm s VAL 86 Ca 0.33 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1vdm s VAL 86 Cb -0.12 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1vdm s VAL 86 CO 0.22 0.39 -0.12 0.54 0.00 0.00 0.00 175.10 176.13 1vdm s VAL 87 N -1.25 1.07 -0.23 2.92 0.11 -0.93 -0.51 120.40 121.59 1vdm s VAL 87 Ca 0.24 -0.46 -0.07 0.00 -2.93 0.00 0.00 61.98 58.76 1vdm s VAL 87 Cb -0.12 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1vdm s VAL 87 CO 0.15 0.34 0.06 -0.63 -3.33 0.00 0.00 175.10 171.69 1vdm s ILE 88 N 0.56 4.37 -0.11 7.04 1.01 0.14 -0.94 121.20 133.26 1vdm s ILE 88 Ca -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1vdm s ILE 88 Cb -0.14 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 1vdm s ILE 88 CO 0.03 0.37 -0.12 -0.69 0.00 0.00 0.00 174.94 174.52 1vdm s VAL 89 N 1.31 3.14 0.11 2.92 1.01 -0.54 -0.54 120.40 127.81 1vdm s VAL 89 Ca 0.05 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1vdm s VAL 89 Cb -0.15 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1vdm s VAL 89 CO 0.03 0.54 0.24 -0.62 0.00 0.00 0.00 175.10 175.29 1vdm s ASP 90 N 0.11 0.06 0.09 3.32 2.15 -0.95 -1.36 116.67 120.10 1vdm s ASP 90 Ca -0.06 -0.65 -0.14 0.00 0.43 0.00 0.00 52.55 52.14 1vdm s ASP 90 Cb -0.15 0.38 -0.14 0.00 -0.30 0.00 0.00 42.92 42.71 1vdm s ASP 90 CO 0.04 -0.78 1.31 -2.24 -0.17 0.00 0.00 175.17 173.34 1vdm h ASP 91 N 2.66 0.87 -3.91 -0.34 3.04 -1.84 -3.09 116.42 113.80 1vdm h ASP 91 Ca -0.34 -0.60 -0.09 0.00 -3.24 0.00 0.00 57.03 52.77 1vdm h ASP 91 Cb 1.21 -0.25 -0.23 0.00 -1.04 0.00 0.00 39.33 39.02 1vdm h ASP 91 CO 0.53 1.32 -0.08 0.54 -2.04 0.00 0.00 179.24 179.51 1vdm s VAL 92 N -3.85 -0.00 -0.78 4.15 0.11 -1.26 -1.74 120.40 117.03 1vdm s VAL 92 Ca -0.11 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.82 1vdm s VAL 92 Cb 0.08 -0.76 0.21 0.00 -1.53 0.00 0.00 36.38 34.38 1vdm s VAL 92 CO 0.88 0.00 0.70 -0.55 -3.33 0.00 0.00 175.10 172.80 1vdm s SER 93 N 0.32 6.47 0.00 3.54 0.15 -1.05 -4.93 113.70 118.20 1vdm s SER 93 Ca -0.00 -2.69 0.00 0.00 0.70 0.00 0.00 55.95 53.95 1vdm s SER 93 Cb -0.04 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1vdm s SER 93 CO 0.00 -0.54 0.01 -0.67 1.20 0.00 0.00 173.24 173.24 1vdm n ASP 94 N 3.92 0.00 -0.08 5.45 4.64 -1.26 -2.54 116.55 126.68 1vdm n ASP 94 Ca 0.12 0.29 -0.12 0.00 -1.38 0.00 0.00 54.79 53.70 1vdm n ASP 94 Cb 0.45 -0.28 -0.15 0.00 -1.04 0.00 0.00 41.12 40.10 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 -1.35 1.47 -0.27 5.18 -2.24 -1.26 -2.95 114.28 112.85 1vdm n THR 95 Ca 0.00 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1vdm n THR 95 Cb 0.00 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 1.80 0.70 0.27 3.38 0.00 -1.26 -1.61 105.19 108.47 1vdm n GLY 96 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 4.11 0.66 0.07 1.61 3.64 -1.99 -0.69 116.57 123.98 1vdm h LYS 97 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1vdm h LYS 97 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1vdm h LYS 97 CO 0.00 0.43 -0.03 1.15 -2.27 0.00 0.00 179.45 178.73 1vdm h THR 98 N 0.68 1.24 -0.79 1.00 2.02 -1.99 -3.08 112.91 111.99 1vdm h THR 98 Ca 0.33 -1.28 0.14 0.00 0.77 0.00 0.00 66.41 66.38 1vdm h THR 98 Cb 0.28 2.04 -0.06 0.00 -1.74 0.00 0.00 68.15 68.67 1vdm h THR 98 CO -0.22 0.31 0.52 -0.07 0.37 0.00 0.00 175.52 176.42 1vdm h LEU 99 N -0.69 0.48 -0.36 2.58 3.38 -1.93 -1.05 115.31 117.73 1vdm h LEU 99 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1vdm h LEU 99 Cb 0.57 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1vdm h LEU 99 CO 0.02 0.25 0.17 -0.33 0.09 0.00 0.00 178.44 178.64 1vdm h GLU 100 N 0.52 0.51 -0.60 1.13 5.08 -1.13 0.18 114.58 120.26 1vdm h GLU 100 Ca 0.39 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1vdm h GLU 100 Cb 0.76 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1vdm h GLU 100 CO -0.14 0.47 0.20 0.28 -1.00 0.00 0.00 179.01 178.81 1vdm h VAL 101 N 0.44 1.24 0.37 3.13 2.07 -1.15 -2.08 116.25 120.26 1vdm h VAL 101 Ca 0.12 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1vdm h VAL 101 Cb 0.12 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1vdm h VAL 101 CO -0.02 0.31 -0.18 0.58 0.02 0.00 0.00 177.57 178.29 1vdm h VAL 102 N 0.86 0.65 -1.06 2.57 2.07 -1.00 -1.89 116.25 118.45 1vdm h VAL 102 Ca 0.20 -0.18 0.28 0.00 0.82 0.00 0.00 66.70 67.82 1vdm h VAL 102 Cb 0.27 0.74 -0.11 0.00 -1.52 0.00 0.00 31.29 30.68 1vdm h VAL 102 CO -0.01 0.04 0.66 0.40 0.02 0.00 0.00 177.57 178.68 1vdm h ILE 103 N -0.59 0.46 -0.04 4.57 2.04 -0.53 0.38 117.51 123.80 1vdm h ILE 103 Ca -0.05 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.52 1vdm h ILE 103 Cb 0.44 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1vdm h ILE 103 CO 0.08 0.07 -0.64 -0.08 0.00 0.00 0.00 178.15 177.58 1vdm h GLU 104 N 0.40 0.18 -0.07 2.37 4.57 -0.91 -2.48 114.58 118.63 1vdm h GLU 104 Ca 0.64 -0.13 -0.16 0.00 -1.18 0.00 0.00 59.36 58.53 1vdm h GLU 104 Cb 1.57 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.18 1vdm h GLU 104 CO -0.38 0.76 -0.66 0.93 -1.18 0.00 0.00 179.01 178.48 1vdm h GLU 105 N 0.13 0.30 0.33 1.92 4.39 0.49 -1.90 114.58 120.24 1vdm h GLU 105 Ca -0.01 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 1vdm h GLU 105 Cb 1.16 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1vdm h GLU 105 CO 0.10 0.85 -0.16 0.28 -1.16 0.00 0.00 179.01 178.92 1vdm h VAL 106 N 0.21 0.61 -0.96 3.13 2.07 -1.13 -2.76 116.25 117.42 1vdm h VAL 106 Ca -0.01 -0.64 0.15 0.00 0.82 0.00 0.00 66.70 67.02 1vdm h VAL 106 Cb 1.20 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 1vdm h VAL 106 CO 0.11 0.11 0.61 0.11 0.02 0.00 0.00 177.57 178.52 1vdm h LYS 107 N -0.84 0.77 0.00 1.57 1.57 -1.50 0.82 116.57 118.97 1vdm h LYS 107 Ca -0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1vdm h LYS 107 Cb 0.52 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1vdm h LYS 107 CO 0.08 0.51 0.00 1.17 -0.57 0.00 0.00 179.45 180.64 1vdm n LYS 108 N -4.62 0.05 0.00 3.15 4.81 -0.71 -1.00 118.16 119.83 1vdm n LYS 108 Ca 0.19 0.30 0.05 0.00 -0.87 0.00 0.00 58.31 57.98 1vdm n LYS 108 Cb 0.47 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 34.05 1vdm n LYS 108 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1vdm n LEU 109 N -1.40 1.73 0.00 3.14 4.77 0.28 -5.01 117.00 120.52 1vdm n LEU 109 Ca 0.03 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1vdm n LEU 109 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1vdm n LEU 109 CO 0.06 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1vdm n GLY 110 N 0.53 0.77 3.68 -0.72 0.00 -0.17 -1.76 105.19 107.51 1vdm n GLY 110 Ca 0.05 -0.07 -0.66 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.64 -1.52 -0.04 4.61 0.00 -1.19 -3.77 120.51 117.96 1vdm n ALA 111 Ca 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 53.44 53.86 1vdm n ALA 111 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 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 4.77 0.05 -3.71 0.00 3.64 -1.45 -3.45 116.57 116.43 1vdm h LYS 112 Ca -0.44 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.83 1vdm h LYS 112 Cb 1.36 -0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 33.00 1vdm h LYS 112 CO 0.94 0.03 -0.44 -2.00 -2.27 0.00 0.00 179.45 175.72 1vdm s GLU 113 N -6.19 0.70 -0.02 1.90 2.12 -1.10 -4.95 118.70 111.16 1vdm s GLU 113 Ca -0.13 -0.77 0.02 0.00 0.36 0.00 0.00 54.97 54.45 1vdm s GLU 113 Cb 0.10 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1vdm s GLU 113 CO 0.69 -0.20 -0.07 0.42 -0.54 0.00 0.00 175.26 175.56 1vdm s ILE 114 N -2.95 0.58 0.02 -3.70 1.01 -1.26 -1.26 121.20 113.64 1vdm s ILE 114 Ca -0.02 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1vdm s ILE 114 Cb 0.01 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 1vdm s ILE 114 CO -0.06 0.18 -0.05 -0.75 0.00 0.00 0.00 174.94 174.26 1vdm s LYS 115 N 0.10 0.40 -0.10 2.79 2.47 0.33 -4.97 119.74 120.76 1vdm s LYS 115 Ca -0.01 -0.52 0.04 0.00 -1.56 0.00 0.00 55.97 53.92 1vdm s LYS 115 Cb -0.06 -0.20 -0.00 0.00 -1.46 0.00 0.00 37.83 36.11 1vdm s LYS 115 CO -0.00 0.04 -0.23 0.42 0.16 0.00 0.00 175.35 175.74 1vdm s ILE 116 N -0.97 2.19 -0.03 5.43 1.01 -1.26 0.27 121.20 127.83 1vdm s ILE 116 Ca -0.08 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1vdm s ILE 116 Cb -0.07 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.56 1vdm s ILE 116 CO -0.00 0.56 -0.10 0.00 0.00 0.00 0.00 174.94 175.40 1vdm s ALA 117 N 0.30 0.91 0.08 9.38 0.00 0.30 -0.94 121.76 131.78 1vdm s ALA 117 Ca -0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 1vdm s ALA 117 Cb -0.17 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1vdm s ALA 117 CO 0.08 0.14 0.07 0.00 0.00 0.00 0.00 175.76 176.06 1vdm h LEU 119 N 2.95 0.70 -8.44 0.00 3.38 -1.32 -3.31 115.31 109.28 1vdm h LEU 119 Ca -0.34 -0.44 -0.21 0.00 0.09 0.00 0.00 57.88 56.98 1vdm h LEU 119 Cb 1.17 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1vdm h LEU 119 CO 0.61 1.20 -0.17 0.00 0.09 0.00 0.00 178.44 180.17 1vdm s ALA 120 N -3.77 0.50 0.08 1.53 0.00 -0.71 -1.07 121.76 118.32 1vdm s ALA 120 Ca -0.08 -1.36 -0.24 0.00 0.00 0.00 0.00 51.96 50.28 1vdm s ALA 120 Cb 0.10 1.12 0.06 0.00 0.00 0.00 0.00 23.12 24.40 1vdm s ALA 120 CO 0.87 -0.80 0.59 0.00 0.00 0.00 0.00 175.76 176.41 1vdm s MET 121 N -3.26 1.15 -0.03 0.00 0.23 -0.29 -2.53 119.30 114.57 1vdm s MET 121 Ca 0.28 -0.24 0.00 0.00 -1.03 0.00 0.00 55.69 54.71 1vdm s MET 121 Cb -0.00 0.53 -0.03 0.00 -1.53 0.00 0.00 34.83 33.79 1vdm s MET 121 CO 0.17 -0.45 -0.01 0.15 -2.03 0.00 0.00 175.02 172.85 1vdm s LYS 122 N -2.78 2.83 0.58 3.16 1.02 -1.05 -2.50 119.74 121.00 1vdm s LYS 122 Ca -0.03 -0.54 0.34 0.00 0.02 0.00 0.00 55.97 55.75 1vdm s LYS 122 Cb -0.01 -2.69 1.33 0.00 -0.52 0.00 0.00 37.83 35.94 1vdm s LYS 122 CO -0.04 0.65 1.58 -1.35 -0.92 0.00 0.00 175.35 175.27 1vdm h PRO 123 N 4.70 0.00 -0.02 -1.68 0.11 -1.91 -1.63 132.00 131.57 1vdm h PRO 123 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 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 0.56 0.00 -0.09 -2.67 -0.21 0.00 0.00 178.00 175.58 1vdm n TRP 124 N -3.65 0.00 -1.52 0.65 2.14 -1.26 -4.99 117.44 108.81 1vdm n TRP 124 Ca 0.25 0.00 -0.36 0.00 2.07 0.00 0.00 57.50 59.46 1vdm n TRP 124 Cb 1.40 -0.01 0.08 0.00 -0.81 0.00 0.00 31.31 31.97 1vdm n TRP 124 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1vdm n THR 125 N 0.68 3.84 1.12 -1.67 5.66 -0.62 -4.90 114.28 118.40 1vdm n THR 125 Ca 0.14 -0.42 0.12 0.00 -3.05 0.00 0.00 64.05 60.85 1vdm n THR 125 Cb 0.50 -1.32 0.18 0.00 -1.55 0.00 0.00 70.33 68.14 1vdm n THR 125 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1vdm n SER 126 N -2.00 2.04 -3.76 1.09 3.41 -0.63 -4.63 113.62 109.14 1vdm n SER 126 Ca 0.15 -1.53 -0.30 0.00 -0.26 0.00 0.00 58.87 56.93 1vdm n SER 126 Cb 0.49 0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.50 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 -2.27 1.47 -0.08 -3.33 1.01 -1.26 -5.03 120.40 110.90 1vdm s VAL 127 Ca 0.25 -2.38 -0.30 0.00 0.00 0.00 0.00 61.98 59.56 1vdm s VAL 127 Cb 0.19 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1vdm s VAL 127 CO 0.45 -0.82 1.08 -0.69 0.00 0.00 0.00 175.10 175.12 1vdm s VAL 128 N 0.59 4.57 0.45 2.92 1.01 -1.26 -4.91 120.40 123.77 1vdm s VAL 128 Ca 0.16 1.86 -0.24 0.00 0.00 0.00 0.00 61.98 63.76 1vdm s VAL 128 Cb -0.23 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 1vdm s VAL 128 CO -0.05 0.00 1.26 -2.84 0.00 0.00 0.00 175.10 173.48 1vdm s PRO 129 N 2.08 3.73 0.32 2.72 0.02 -1.26 -4.90 135.00 137.71 1vdm s PRO 129 Ca 0.51 2.04 0.09 0.00 0.02 0.00 0.00 61.00 63.67 1vdm s PRO 129 Cb -0.21 -2.54 0.54 0.00 0.02 0.00 0.00 34.50 32.32 1vdm s PRO 129 CO 0.20 -0.65 1.74 -0.44 -0.33 0.00 0.00 177.00 177.51 1vdm h ASP 130 N 2.22 0.12 -3.51 2.53 5.19 -1.43 -3.42 116.42 118.11 1vdm h ASP 130 Ca -0.50 -0.05 -0.36 0.00 -0.62 0.00 0.00 57.03 55.50 1vdm h ASP 130 Cb 1.26 -0.03 -0.33 0.00 0.18 0.00 0.00 39.33 40.40 1vdm h ASP 130 CO 0.61 0.53 -0.76 -0.31 -3.12 0.00 0.00 179.24 176.19 1vdm s TYR 131 N -4.09 0.48 0.17 4.55 1.51 -0.72 -5.03 117.35 114.23 1vdm s TYR 131 Ca -0.03 -0.08 -0.24 0.00 -1.01 0.00 0.00 57.07 55.70 1vdm s TYR 131 Cb 0.14 -0.49 0.06 0.00 -0.11 0.00 0.00 41.96 41.55 1vdm s TYR 131 CO 0.75 -0.14 0.82 1.52 -1.11 0.00 0.00 175.55 177.39 1vdm s TYR 132 N 0.88 -0.24 -0.01 2.71 -0.85 -1.26 -1.25 117.35 117.33 1vdm s TYR 132 Ca -0.10 -0.08 -0.00 0.00 -0.52 0.00 0.00 57.07 56.37 1vdm s TYR 132 Cb -0.13 0.64 -0.01 0.00 0.38 0.00 0.00 41.96 42.84 1vdm s TYR 132 CO -0.01 -0.93 -0.01 0.28 -1.52 0.00 0.00 175.55 173.36 1vdm n VAL 133 N -0.42 0.06 -4.18 -3.49 0.31 -0.78 -5.00 118.33 104.83 1vdm n VAL 133 Ca -0.07 -0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 63.91 1vdm n VAL 133 Cb 0.61 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.61 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 -2.02 3.16 -0.05 3.52 0.40 -0.23 -4.99 117.98 117.76 1vdm s PHE 134 Ca -0.02 0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.46 1vdm s PHE 134 Cb 0.00 -1.68 0.01 0.00 0.51 0.00 0.00 43.02 41.86 1vdm s PHE 134 CO 0.02 0.50 -0.13 0.50 0.70 0.00 0.00 175.22 176.81 1vdm s ARG 135 N -1.75 1.62 0.03 0.44 3.52 -1.26 -1.13 118.95 120.41 1vdm s ARG 135 Ca 0.22 -0.46 -0.28 0.00 -0.13 0.00 0.00 55.73 55.08 1vdm s ARG 135 Cb -0.12 -1.38 0.09 0.00 -1.56 0.00 0.00 34.95 31.99 1vdm s ARG 135 CO 0.13 0.11 0.91 -0.08 -0.81 0.00 0.00 175.30 175.56 1vdm s THR 136 N 0.39 0.00 -0.15 4.11 -1.32 -1.04 -4.99 115.64 112.64 1vdm s THR 136 Ca -0.09 -0.13 0.11 0.00 -1.21 0.00 0.00 61.69 60.37 1vdm s THR 136 Cb -0.13 -1.21 -0.16 0.00 -1.51 0.00 0.00 72.50 69.48 1vdm s THR 136 CO 0.03 0.00 0.31 -0.62 -2.21 0.00 0.00 174.62 172.13 1vdm n GLU 137 N -0.29 1.11 -1.45 7.08 4.71 -1.26 -4.06 120.64 126.47 1vdm n GLU 137 Ca -0.08 -0.08 -0.30 0.00 -0.01 0.00 0.00 57.16 56.69 1vdm n GLU 137 Cb 0.62 -1.21 0.10 0.00 -1.01 0.00 0.00 31.44 29.94 1vdm n GLU 137 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1vdm s LYS 138 N -2.61 1.85 0.04 3.49 1.02 -1.26 -5.00 119.74 117.28 1vdm s LYS 138 Ca -0.02 0.70 -0.30 0.00 0.02 0.00 0.00 55.97 56.37 1vdm s LYS 138 Cb 0.08 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1vdm s LYS 138 CO 0.47 -1.80 1.00 -0.46 -0.92 0.00 0.00 175.35 173.64 1vdm s TRP 139 N -3.09 3.68 -0.15 3.18 -0.11 -1.26 -4.86 118.94 116.33 1vdm s TRP 139 Ca 0.62 1.69 -0.15 0.00 1.22 0.00 0.00 56.10 59.47 1vdm s TRP 139 Cb -0.15 -3.14 -0.04 0.00 -1.50 0.00 0.00 33.47 28.63 1vdm s TRP 139 CO 0.55 -0.09 0.36 0.42 -4.62 0.00 0.00 176.95 173.57 1vdm s ILE 140 N 0.70 5.26 -0.44 5.86 1.01 -1.26 -1.80 121.20 130.52 1vdm s ILE 140 Ca 0.51 0.69 -0.09 0.00 0.00 0.00 0.00 60.65 61.75 1vdm s ILE 140 Cb -0.23 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.64 1vdm s ILE 140 CO 0.29 0.36 0.30 -0.69 0.00 0.00 0.00 174.94 175.20 1vdm s VAL 141 N 0.60 4.23 0.82 2.92 1.01 0.32 -4.96 120.40 125.33 1vdm s VAL 141 Ca 0.20 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.49 1vdm s VAL 141 Cb -0.14 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.64 1vdm s VAL 141 CO 0.06 -0.64 1.10 -0.36 0.00 0.00 0.00 175.10 175.26 1vdm s PHE 142 N 1.40 2.36 0.51 5.22 0.40 -1.26 -2.25 117.98 124.35 1vdm s PHE 142 Ca 0.04 1.56 0.23 0.00 -0.60 0.00 0.00 56.93 58.17 1vdm s PHE 142 Cb -0.25 -3.11 1.32 0.00 0.51 0.00 0.00 43.02 41.50 1vdm s PHE 142 CO 0.01 -2.07 1.98 -1.35 0.70 0.00 0.00 175.22 174.49 1vdm h PRO 143 N -1.33 0.08 -0.21 0.24 0.11 -1.83 -2.23 132.00 126.83 1vdm h PRO 143 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1vdm h PRO 143 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1vdm h PRO 143 CO 0.50 0.06 0.00 -2.67 -0.21 0.00 0.00 178.00 175.67 1vdm n TRP 144 N -4.40 0.27 -4.10 0.65 2.14 -1.26 -4.92 117.44 105.82 1vdm n TRP 144 Ca 0.11 -0.14 -0.30 0.00 2.07 0.00 0.00 57.50 59.24 1vdm n TRP 144 Cb 0.59 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.01 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 -1.73 2.66 0.49 -2.67 2.02 -0.84 -5.12 118.70 113.51 1vdm s GLU 145 Ca 0.25 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.41 1vdm s GLU 145 Cb 0.13 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.76 1vdm s GLU 145 CO 0.19 0.54 0.75 -1.21 0.02 0.00 0.00 175.26 175.55 1vdm s GLU 146 N -2.41 3.18 -0.03 1.61 8.01 -1.26 -4.92 118.70 122.87 1vdm s GLU 146 Ca 0.27 -0.18 -0.02 0.00 0.01 0.00 0.00 54.97 55.05 1vdm s GLU 146 Cb -0.12 -2.45 -0.04 0.00 -4.31 0.00 0.00 34.13 27.22 1vdm s GLU 146 CO 0.20 -0.33 0.10 -0.06 0.01 0.00 0.00 175.26 175.18 1vdm s PHE 147 N -2.69 3.37 0.57 1.61 0.08 -1.26 -5.09 117.98 114.57 1vdm s PHE 147 Ca 0.49 0.28 -0.13 0.00 0.12 0.00 0.00 56.93 57.69 1vdm s PHE 147 Cb -0.10 -1.79 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 1vdm s PHE 147 CO 0.41 0.59 1.00 -2.14 -0.10 0.00 0.00 175.22 174.99 1vdm s PRO 148 N -1.58 3.76 0.06 0.24 0.02 -1.26 -5.06 135.00 131.18 1vdm s PRO 148 Ca 0.22 0.84 0.03 0.00 0.02 0.00 0.00 61.00 62.10 1vdm s PRO 148 Cb -0.12 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 1vdm s PRO 148 CO 0.12 -0.42 0.05 0.08 -0.33 0.00 0.00 177.00 176.50 1vdm s VAL 149 N -2.91 4.41 -0.38 3.83 1.01 -1.26 -5.08 120.40 120.01 1vdm s VAL 149 Ca 0.57 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 1vdm s VAL 149 Cb -0.10 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1vdm s VAL 149 CO 0.43 0.19 0.25 -0.63 0.00 0.00 0.00 175.10 175.35 1vdm s ILE 150 N -1.30 4.98 0.10 2.22 -1.09 -1.26 -5.07 121.20 119.78 1vdm s ILE 150 Ca 0.26 -0.65 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 1vdm s ILE 150 Cb -0.12 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1vdm s ILE 150 CO 0.18 -0.22 0.10 -1.61 -1.23 0.00 0.00 174.94 172.17 1vdm s GLU 151 N 1.64 2.92 0.00 2.79 2.02 -1.26 -5.07 118.70 121.74 1vdm s GLU 151 Ca 0.04 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1vdm s GLU 151 Cb -0.19 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1vdm s GLU 151 CO 0.09 0.55 0.72 1.63 0.02 0.00 0.00 175.26 178.27 1vdm n LYS 152 N 0.27 0.00 -0.31 1.61 5.02 -1.26 -5.35 118.16 118.14 1vdm n LYS 152 Ca -0.08 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1vdm n LYS 152 Cb 0.52 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1vdm n LYS 152 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27