#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 1.94 -4.50 7.83 5.68 -1.26 -4.86 116.55 121.38 1vdm n ASP 2 Ca 0.00 -2.13 -0.25 0.00 -0.50 0.00 0.00 54.79 51.91 1vdm n ASP 2 Cb 0.00 -0.33 -0.10 0.00 -1.14 0.00 0.00 41.12 39.55 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 -1.64 1.78 -0.29 0.11 1.02 -1.26 -4.21 119.74 115.25 1vdm s LYS 3 Ca 0.19 -1.53 -0.09 0.00 0.02 0.00 0.00 55.97 54.56 1vdm s LYS 3 Cb 0.12 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.49 1vdm s LYS 3 CO 0.10 0.38 0.12 0.08 -0.92 0.00 0.00 175.35 175.11 1vdm s VAL 4 N -2.03 4.45 -0.41 3.17 1.01 -0.71 -4.99 120.40 120.89 1vdm s VAL 4 Ca 0.26 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1vdm s VAL 4 Cb -0.07 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.14 1vdm s VAL 4 CO 0.14 0.16 0.28 -0.31 0.00 0.00 0.00 175.10 175.36 1vdm s TYR 5 N 1.60 3.25 -0.11 5.22 1.51 -1.26 -0.70 117.35 126.86 1vdm s TYR 5 Ca 0.05 -0.85 -0.26 0.00 -1.01 0.00 0.00 57.07 55.00 1vdm s TYR 5 Cb -0.16 -2.65 -0.02 0.00 -0.11 0.00 0.00 41.96 39.01 1vdm s TYR 5 CO 0.05 -0.66 0.83 -0.51 -1.11 0.00 0.00 175.55 174.15 1vdm s LEU 6 N 1.61 4.24 0.67 -1.29 1.43 -0.82 -5.01 118.68 119.52 1vdm s LEU 6 Ca 0.04 1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 54.32 1vdm s LEU 6 Cb -0.20 -3.27 0.02 0.00 0.03 0.00 0.00 46.19 42.77 1vdm s LEU 6 CO 0.08 -0.31 1.02 0.42 0.23 0.00 0.00 176.35 177.79 1vdm s THR 7 N 1.63 3.33 0.37 5.49 -4.23 -1.26 -3.05 115.64 117.92 1vdm s THR 7 Ca 0.41 0.20 0.12 0.00 -1.18 0.00 0.00 61.69 61.23 1vdm s THR 7 Cb -0.18 -3.39 0.11 0.00 1.34 0.00 0.00 72.50 70.38 1vdm s THR 7 CO 0.16 -0.46 1.85 -0.50 -0.54 0.00 0.00 174.62 175.13 1vdm h TRP 8 N -0.50 0.08 -0.04 3.99 4.06 -1.98 -1.35 115.95 120.21 1vdm h TRP 8 Ca -0.45 -0.02 -0.12 0.00 2.06 0.00 0.00 58.89 60.37 1vdm h TRP 8 Cb 1.27 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 1vdm h TRP 8 CO 0.46 0.38 -0.52 2.35 -3.56 0.00 0.00 178.44 177.55 1vdm h TRP 9 N 0.07 0.14 -0.23 0.49 -0.00 -1.99 0.14 115.95 114.57 1vdm h TRP 9 Ca 0.01 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.89 58.73 1vdm h TRP 9 Cb 0.58 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.72 1vdm h TRP 9 CO 0.00 0.61 -0.34 1.96 -0.00 0.00 0.00 178.44 180.67 1vdm h GLN 10 N 0.09 0.63 -0.60 2.65 4.20 -1.76 -1.75 115.11 118.56 1vdm h GLN 10 Ca 0.00 -0.37 -0.06 0.00 0.06 0.00 0.00 58.65 58.27 1vdm h GLN 10 Cb 0.94 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1vdm h GLN 10 CO 0.07 0.99 0.13 0.28 -0.67 0.00 0.00 178.83 179.62 1vdm h VAL 11 N 0.33 1.25 -0.22 -0.54 2.07 -1.03 -1.65 116.25 116.46 1vdm h VAL 11 Ca 0.02 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1vdm h VAL 11 Cb 0.92 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1vdm h VAL 11 CO 0.08 0.35 0.06 0.44 0.02 0.00 0.00 177.57 178.52 1vdm h ASP 12 N 0.88 0.34 0.22 0.57 3.32 -0.68 -1.64 116.42 119.42 1vdm h ASP 12 Ca 0.19 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1vdm h ASP 12 Cb 0.38 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1vdm h ASP 12 CO 0.01 0.47 -0.17 0.03 -1.72 0.00 0.00 179.24 177.86 1vdm h ARG 13 N 0.18 0.00 0.15 3.56 3.08 -1.25 -1.11 114.38 118.99 1vdm h ARG 13 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1vdm h ARG 13 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1vdm h ARG 13 CO 0.00 0.17 -0.07 0.00 -1.07 0.00 0.00 179.97 179.00 1vdm h ALA 14 N 1.83 -0.20 -0.78 0.04 0.00 -1.04 -2.10 119.26 117.01 1vdm h ALA 14 Ca -0.00 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1vdm h ALA 14 Cb 0.33 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1vdm h ALA 14 CO 0.02 -0.39 0.51 0.82 0.00 0.00 0.00 179.25 180.22 1vdm h ILE 15 N -0.66 0.96 -0.19 0.00 2.04 -1.01 0.11 117.51 118.77 1vdm h ILE 15 Ca -0.02 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 1vdm h ILE 15 Cb 0.49 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1vdm h ILE 15 CO 0.03 0.13 -0.44 0.15 0.00 0.00 0.00 178.15 178.03 1vdm h PHE 16 N 0.73 0.57 -0.01 1.37 3.04 -1.17 -0.98 116.94 120.50 1vdm h PHE 16 Ca 0.35 -0.17 -0.00 0.00 3.98 0.00 0.00 57.97 62.13 1vdm h PHE 16 Cb 0.41 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.80 1vdm h PHE 16 CO -0.00 0.84 -0.00 0.00 -2.02 0.00 0.00 178.31 177.12 1vdm h ALA 17 N 1.14 0.01 -0.73 2.41 0.00 -0.29 -2.89 119.26 118.91 1vdm h ALA 17 Ca 0.03 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1vdm h ALA 17 Cb 0.93 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1vdm h ALA 17 CO 0.08 -0.29 0.41 -0.07 0.00 0.00 0.00 179.25 179.39 1vdm h LEU 18 N -0.36 0.61 -0.73 0.00 3.38 -0.81 -2.73 115.31 114.67 1vdm h LEU 18 Ca 0.00 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1vdm h LEU 18 Cb 0.39 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1vdm h LEU 18 CO 0.00 0.39 0.42 0.00 0.09 0.00 0.00 178.44 179.34 1vdm h ALA 19 N 1.38 0.99 0.00 1.53 0.00 -1.06 -1.01 119.26 121.09 1vdm h ALA 19 Ca 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1vdm h ALA 19 Cb 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1vdm h ALA 19 CO -0.20 0.12 -0.15 1.49 0.00 0.00 0.00 179.25 180.50 1vdm h GLU 20 N 0.77 0.00 0.23 0.00 4.57 -1.28 -2.09 114.58 116.79 1vdm h GLU 20 Ca 0.32 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.17 1vdm h GLU 20 Cb 0.19 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1vdm h GLU 20 CO -0.18 0.15 -1.49 0.87 -1.18 0.00 0.00 179.01 177.18 1vdm h LYS 21 N 0.00 0.48 0.00 1.92 1.79 -1.30 -3.25 116.57 116.21 1vdm h LYS 21 Ca -0.00 -0.83 0.00 0.00 -2.18 0.00 0.00 60.65 57.64 1vdm h LYS 21 Cb 0.36 0.31 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1vdm h LYS 21 CO 0.02 1.39 0.00 1.28 -1.08 0.00 0.00 179.45 181.06 1vdm n LEU 22 N -3.67 0.54 0.15 2.94 4.77 -0.47 -2.10 117.00 119.16 1vdm n LEU 22 Ca -0.17 0.67 0.01 0.00 -0.03 0.00 0.00 56.01 56.49 1vdm n LEU 22 Cb 1.09 -0.63 0.20 0.00 -2.33 0.00 0.00 43.42 41.74 1vdm n LEU 22 CO 0.59 -0.64 0.53 0.03 -1.33 0.00 0.00 177.39 176.57 1vdm h ARG 23 N 0.00 0.00 0.00 3.23 3.08 -1.43 -0.62 114.38 118.64 1vdm h ARG 23 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1vdm h ARG 23 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1vdm h ARG 23 CO 0.00 0.55 -0.15 0.93 -1.07 0.00 0.00 179.97 180.23 1vdm h GLU 24 N 0.00 0.00 0.00 0.04 5.08 -1.58 -3.08 114.58 115.04 1vdm h GLU 24 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1vdm h GLU 24 Cb 1.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1vdm h GLU 24 CO 0.07 0.15 -1.51 0.98 -1.00 0.00 0.00 179.01 177.70 1vdm n TYR 25 N -3.20 0.94 -3.63 4.33 9.36 -0.95 -5.01 117.16 118.99 1vdm n TYR 25 Ca 0.02 0.32 -0.27 0.00 3.32 0.00 0.00 57.90 61.28 1vdm n TYR 25 Cb 0.48 -1.09 0.03 0.00 -0.63 0.00 0.00 39.34 38.13 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 -2.90 -1.24 -2.08 2.98 5.02 -0.28 -4.91 118.16 114.75 1vdm n LYS 26 Ca -0.12 0.60 -0.37 0.00 -2.02 0.00 0.00 58.31 56.41 1vdm n LYS 26 Cb 0.88 -4.04 0.02 0.00 -0.02 0.00 0.00 35.03 31.87 1vdm n LYS 26 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1vdm s PRO 27 N -5.54 3.30 -0.08 1.97 0.04 -1.26 -4.84 135.00 128.59 1vdm s PRO 27 Ca 0.37 1.87 0.14 0.00 0.04 0.00 0.00 61.00 63.41 1vdm s PRO 27 Cb -0.13 -2.15 -0.24 0.00 0.04 0.00 0.00 34.50 32.02 1vdm s PRO 27 CO 0.86 -0.95 0.51 -0.25 0.04 0.00 0.00 177.00 177.20 1vdm n ASP 28 N -1.09 0.65 -3.79 6.66 10.43 0.15 -4.97 116.55 124.58 1vdm n ASP 28 Ca 0.11 0.31 -0.11 0.00 2.57 0.00 0.00 54.79 57.66 1vdm n ASP 28 Cb 0.48 0.21 -0.08 0.00 1.84 0.00 0.00 41.12 43.58 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 -2.57 0.09 -0.08 2.53 0.11 -1.10 -4.20 120.40 115.18 1vdm s VAL 29 Ca -0.06 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.26 1vdm s VAL 29 Cb 0.07 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 1vdm s VAL 29 CO 0.83 -0.42 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.36 1vdm s ILE 30 N -2.53 2.61 -0.35 7.04 1.01 -0.67 -2.68 121.20 125.62 1vdm s ILE 30 Ca -0.05 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1vdm s ILE 30 Cb -0.01 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.48 1vdm s ILE 30 CO -0.03 0.56 0.13 -0.63 0.00 0.00 0.00 174.94 174.97 1vdm s ILE 31 N -0.11 3.98 -0.18 2.92 -1.09 -0.59 -0.49 121.20 125.64 1vdm s ILE 31 Ca -0.03 -1.07 -0.17 0.00 -2.23 0.00 0.00 60.65 57.15 1vdm s ILE 31 Cb -0.14 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1vdm s ILE 31 CO 0.04 -0.20 0.43 -0.83 -1.23 0.00 0.00 174.94 173.15 1vdm s GLY 32 N 1.45 2.15 -0.61 6.18 0.00 0.25 -0.85 107.32 115.88 1vdm s GLY 32 Ca -0.01 -0.44 -0.22 0.00 0.00 0.00 0.00 44.72 44.06 1vdm s GLY 32 CO 0.04 0.83 0.86 0.14 0.00 0.00 0.00 173.10 174.97 1vdm s VAL 33 N 1.19 4.51 0.58 1.40 1.01 -0.53 -1.87 120.40 126.69 1vdm s VAL 33 Ca 0.21 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1vdm s VAL 33 Cb -0.15 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 1vdm s VAL 33 CO 0.08 -1.25 1.13 0.00 0.00 0.00 0.00 175.10 175.06 1vdm n ALA 34 N 7.19 0.73 -0.11 5.51 0.00 -0.51 -1.33 120.51 131.99 1vdm n ALA 34 Ca -0.05 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 1vdm n ALA 34 Cb 0.45 -2.21 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 1vdm n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vdm n ARG 35 N -1.06 0.47 -0.27 0.00 1.74 -1.26 -4.60 116.66 111.67 1vdm n ARG 35 Ca 0.13 0.18 0.30 0.00 -0.77 0.00 0.00 57.85 57.69 1vdm n ARG 35 Cb 0.46 -1.30 0.68 0.00 -1.02 0.00 0.00 32.46 31.28 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 -0.25 0.28 1.85 -0.13 0.00 -2.01 0.98 103.07 103.79 1vdm h GLY 36 Ca -0.53 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 46.77 1vdm h GLY 36 CO -0.28 -0.03 0.06 -1.33 0.00 0.00 0.00 176.54 174.96 1vdm h GLY 37 N 0.10 0.00 2.00 4.60 0.00 -1.48 -2.61 103.07 105.68 1vdm h GLY 37 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1vdm h GLY 37 CO -0.07 0.00 -0.11 1.41 0.00 0.00 0.00 176.54 177.77 1vdm h LEU 38 N 0.00 0.00 0.57 3.11 3.38 -0.86 -2.40 115.31 119.11 1vdm h LEU 38 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1vdm h LEU 38 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1vdm h LEU 38 CO -0.00 0.11 -0.28 0.40 0.09 0.00 0.00 178.44 178.76 1vdm h ILE 39 N 0.00 0.17 0.00 1.22 5.03 -1.64 -1.61 117.51 120.69 1vdm h ILE 39 Ca -0.00 -0.41 -0.04 0.00 -0.12 0.00 0.00 64.86 64.29 1vdm h ILE 39 Cb 0.31 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 34.35 1vdm h ILE 39 CO 0.01 0.03 -0.19 -0.65 -0.68 0.00 0.00 178.15 176.68 1vdm h PRO 40 N -1.12 0.00 0.02 2.37 0.11 -1.74 -2.49 132.00 129.15 1vdm h PRO 40 Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1vdm h PRO 40 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1vdm h PRO 40 CO 0.13 0.19 -0.01 0.00 -0.21 0.00 0.00 178.00 178.10 1vdm h ALA 41 N 1.81 -0.03 -0.41 -0.75 0.00 -1.39 -0.93 119.26 117.57 1vdm h ALA 41 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1vdm h ALA 41 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1vdm h ALA 41 CO 0.02 -0.37 0.26 0.28 0.00 0.00 0.00 179.25 179.44 1vdm h VAL 42 N -0.32 1.11 -0.44 0.00 2.07 -1.11 -0.59 116.25 116.97 1vdm h VAL 42 Ca -0.00 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1vdm h VAL 42 Cb 0.30 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1vdm h VAL 42 CO 0.01 0.11 0.23 0.03 0.02 0.00 0.00 177.57 177.96 1vdm h ARG 43 N 0.55 0.63 -0.21 1.57 3.08 -1.40 -1.92 114.38 116.66 1vdm h ARG 43 Ca 0.15 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1vdm h ARG 43 Cb -0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1vdm h ARG 43 CO -0.03 0.52 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.17 1vdm h LEU 44 N 0.57 0.34 -0.16 3.04 3.38 -1.00 0.65 115.31 122.14 1vdm h LEU 44 Ca 0.15 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1vdm h LEU 44 Cb 0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1vdm h LEU 44 CO -0.02 0.52 -0.01 -1.28 0.09 0.00 0.00 178.44 177.73 1vdm h SER 45 N 0.33 -0.09 0.01 -0.43 0.87 -0.59 0.51 113.55 114.16 1vdm h SER 45 Ca 0.06 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 1vdm h SER 45 Cb 0.46 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1vdm h SER 45 CO 0.03 -0.02 -0.51 0.45 -0.53 0.00 0.00 176.83 176.25 1vdm h HIS 46 N 0.03 0.68 -0.00 2.24 3.86 -0.81 -0.80 115.15 120.35 1vdm h HIS 46 Ca 0.07 -0.23 -0.15 0.00 -1.16 0.00 0.00 60.37 58.91 1vdm h HIS 46 Cb 0.10 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1vdm h HIS 46 CO -0.17 0.95 -0.69 0.82 0.86 0.00 0.00 177.93 179.70 1vdm h ILE 47 N 0.43 1.50 -1.42 2.45 2.04 -0.57 -3.31 117.51 118.63 1vdm h ILE 47 Ca 0.02 -2.37 -0.66 0.00 1.00 0.00 0.00 64.86 62.85 1vdm h ILE 47 Cb 1.04 2.28 -0.25 0.00 -0.74 0.00 0.00 36.82 39.15 1vdm h ILE 47 CO 0.10 0.68 0.84 0.18 0.00 0.00 0.00 178.15 179.95 1vdm n LEU 48 N -3.72 7.31 -2.75 1.44 4.77 0.14 -4.84 117.00 119.35 1vdm n LEU 48 Ca -0.01 -4.41 -0.17 0.00 -0.03 0.00 0.00 56.01 51.39 1vdm n LEU 48 Cb 0.68 -1.07 0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1vdm n LEU 48 CO 0.43 1.62 0.18 0.61 -1.33 0.00 0.00 177.39 178.90 1vdm n GLY 49 N -0.33 -0.14 3.65 -0.72 0.00 -1.25 -3.42 105.19 102.99 1vdm n GLY 49 Ca 0.54 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.80 -4.36 -4.76 1.61 10.43 -0.32 -4.91 116.55 112.44 1vdm n ASP 50 Ca -0.00 -0.61 -0.41 0.00 2.57 0.00 0.00 54.79 56.34 1vdm n ASP 50 Cb 0.55 -3.53 -0.02 0.00 1.84 0.00 0.00 41.12 39.95 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 -3.14 2.61 0.45 0.53 -4.36 -1.16 -4.91 121.20 111.23 1vdm s ILE 51 Ca 0.54 0.59 -0.21 0.00 -0.26 0.00 0.00 60.65 61.31 1vdm s ILE 51 Cb -0.28 -3.37 -0.13 0.00 1.25 0.00 0.00 42.46 39.93 1vdm s ILE 51 CO 0.67 0.13 0.40 -0.81 0.24 0.00 0.00 174.94 175.57 1vdm n PRO 52 N 1.20 0.41 -4.86 0.37 -0.04 -1.26 -4.74 135.00 126.09 1vdm n PRO 52 Ca 0.02 0.15 -0.32 0.00 -0.04 0.00 0.00 63.50 63.32 1vdm n PRO 52 Cb 0.41 -1.41 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 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 2.29 2.05 0.14 1.53 2.96 -1.26 -1.68 118.68 124.71 1vdm s LEU 53 Ca 0.63 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 54.06 1vdm s LEU 53 Cb -0.57 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1vdm s LEU 53 CO 0.59 0.10 -0.12 -0.54 -1.32 0.00 0.00 176.35 175.07 1vdm s LYS 54 N 0.64 2.02 0.00 1.98 1.02 0.36 -4.98 119.74 120.78 1vdm s LYS 54 Ca -0.12 -1.17 0.08 0.00 0.02 0.00 0.00 55.97 54.78 1vdm s LYS 54 Cb -0.16 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1vdm s LYS 54 CO 0.03 0.47 -0.25 0.08 -0.92 0.00 0.00 175.35 174.75 1vdm s VAL 55 N -1.42 2.16 -0.01 3.17 1.01 -1.26 -0.58 120.40 123.46 1vdm s VAL 55 Ca 0.22 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1vdm s VAL 55 Cb -0.10 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1vdm s VAL 55 CO 0.14 0.50 -0.00 -0.51 0.00 0.00 0.00 175.10 175.22 1vdm s ILE 56 N -0.70 0.11 -0.17 2.22 2.07 -0.78 -4.14 121.20 119.81 1vdm s ILE 56 Ca 0.11 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1vdm s ILE 56 Cb -0.10 -0.15 0.03 0.00 0.13 0.00 0.00 42.46 42.37 1vdm s ILE 56 CO 0.00 0.07 -0.11 -0.62 -1.91 0.00 0.00 174.94 172.38 1vdm s ASP 57 N 0.44 3.00 -0.21 4.50 3.68 -0.80 -1.42 116.67 125.85 1vdm s ASP 57 Ca -0.04 -0.68 -0.03 0.00 2.13 0.00 0.00 52.55 53.93 1vdm s ASP 57 Cb -0.06 -1.15 -0.00 0.00 -1.45 0.00 0.00 42.92 40.25 1vdm s ASP 57 CO -0.01 -0.12 -0.07 -0.69 0.13 0.00 0.00 175.17 174.41 1vdm s VAL 58 N 1.48 3.17 0.03 1.11 1.01 -1.26 -0.55 120.40 125.39 1vdm s VAL 58 Ca 0.02 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1vdm s VAL 58 Cb -0.15 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1vdm s VAL 58 CO -0.09 0.44 -0.08 -0.75 0.00 0.00 0.00 175.10 174.62 1vdm s LYS 59 N 1.43 2.42 0.06 2.72 2.20 -0.10 -4.94 119.74 123.53 1vdm s LYS 59 Ca 0.05 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1vdm s LYS 59 Cb -0.14 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 1vdm s LYS 59 CO -0.05 0.58 0.02 -0.06 -0.36 0.00 0.00 175.35 175.48 1vdm s PHE 60 N -1.04 3.07 0.25 4.03 0.40 -1.26 0.41 117.98 123.84 1vdm s PHE 60 Ca 0.18 0.03 0.11 0.00 -0.60 0.00 0.00 56.93 56.65 1vdm s PHE 60 Cb -0.11 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.77 1vdm s PHE 60 CO 0.09 0.49 -0.19 0.71 0.70 0.00 0.00 175.22 177.02 1vdm s TYR 61 N -1.27 2.11 -0.42 0.36 4.12 0.66 -4.92 117.35 118.00 1vdm s TYR 61 Ca 0.25 -0.40 -0.27 0.00 0.02 0.00 0.00 57.07 56.66 1vdm s TYR 61 Cb -0.12 -0.94 -0.05 0.00 -1.52 0.00 0.00 41.96 39.34 1vdm s TYR 61 CO 0.17 0.59 2.17 0.15 0.02 0.00 0.00 175.55 178.65 1vdm s LYS 62 N -3.49 2.64 -0.27 -0.62 3.01 -1.26 0.03 119.74 119.78 1vdm s LYS 62 Ca 0.27 1.41 -0.30 0.00 -1.01 0.00 0.00 55.97 56.34 1vdm s LYS 62 Cb -0.04 -4.44 -0.07 0.00 -1.01 0.00 0.00 37.83 32.27 1vdm s LYS 62 CO 0.12 -2.67 2.23 0.41 0.51 0.00 0.00 175.35 175.95 1vdm n GLY 63 N 5.80 0.83 1.89 -3.33 0.00 -1.26 -4.67 105.19 104.45 1vdm n GLY 63 Ca 0.30 0.82 -0.19 0.00 0.00 0.00 0.00 46.02 46.94 1vdm n GLY 63 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vdm n ILE 64 N 7.63 3.03 -2.16 -0.61 5.41 -1.26 -4.92 119.36 126.48 1vdm n ILE 64 Ca 0.34 -2.45 -0.41 0.00 1.00 0.00 0.00 62.75 61.23 1vdm n ILE 64 Cb 0.39 -0.55 -0.02 0.00 -0.71 0.00 0.00 39.64 38.75 1vdm n ILE 64 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1vdm s GLU 69 N -3.38 4.39 -0.09 0.38 2.02 -1.25 -5.27 118.70 115.51 1vdm s GLU 69 Ca 0.54 2.16 0.04 0.00 0.02 0.00 0.00 54.97 57.74 1vdm s GLU 69 Cb 0.46 -3.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 1vdm s GLU 69 CO 0.05 -0.15 -0.24 0.21 0.02 0.00 0.00 175.26 175.16 1vdm s LYS 70 N -1.66 2.88 0.39 1.61 2.20 0.10 -4.89 119.74 120.39 1vdm s LYS 70 Ca 0.49 -0.87 -0.21 0.00 -0.36 0.00 0.00 55.97 55.02 1vdm s LYS 70 Cb -0.39 -2.27 -0.10 0.00 -1.51 0.00 0.00 37.83 33.56 1vdm s LYS 70 CO 0.51 0.26 0.90 -1.25 -0.36 0.00 0.00 175.35 175.41 1vdm s PRO 71 N 0.14 4.24 -0.04 4.03 0.04 -1.26 -0.24 135.00 141.91 1vdm s PRO 71 Ca -0.13 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 1vdm s PRO 71 Cb -0.16 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 32.08 1vdm s PRO 71 CO 0.07 0.06 0.04 0.08 0.04 0.00 0.00 177.00 177.28 1vdm s VAL 72 N -2.05 0.00 -0.44 -0.36 1.01 0.17 -4.94 120.40 113.79 1vdm s VAL 72 Ca 0.58 0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.61 1vdm s VAL 72 Cb -0.11 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1vdm s VAL 72 CO 0.15 0.17 0.97 -0.63 0.00 0.00 0.00 175.10 175.76 1vdm s ILE 73 N 1.83 4.45 -0.10 2.22 -1.09 -1.26 -0.93 121.20 126.32 1vdm s ILE 73 Ca 0.01 0.95 -0.27 0.00 -2.23 0.00 0.00 60.65 59.11 1vdm s ILE 73 Cb -0.12 -4.44 -0.26 0.00 -1.58 0.00 0.00 42.46 36.06 1vdm s ILE 73 CO -0.03 -0.79 0.87 0.74 -1.23 0.00 0.00 174.94 174.50 1vdm h THR 74 N 6.04 1.69 -3.70 2.92 2.02 -1.21 -3.43 112.91 117.24 1vdm h THR 74 Ca -0.24 -2.20 -0.65 0.00 0.77 0.00 0.00 66.41 64.09 1vdm h THR 74 Cb 1.07 3.16 -0.39 0.00 -1.74 0.00 0.00 68.15 70.26 1vdm h THR 74 CO 1.04 0.58 -0.76 -0.63 0.37 0.00 0.00 175.52 176.12 1vdm s ILE 75 N -2.57 2.02 0.87 3.11 1.01 -1.20 -4.95 121.20 119.48 1vdm s ILE 75 Ca -0.17 -1.87 -0.12 0.00 0.00 0.00 0.00 60.65 58.49 1vdm s ILE 75 Cb -0.01 -2.34 0.11 0.00 0.01 0.00 0.00 42.46 40.23 1vdm s ILE 75 CO 0.72 -0.34 1.13 -2.16 0.00 0.00 0.00 174.94 174.29 1vdm s PRO 76 N 1.10 1.50 -0.19 2.79 0.04 -1.26 -1.90 135.00 137.07 1vdm s PRO 76 Ca 0.02 0.38 -0.22 0.00 0.04 0.00 0.00 61.00 61.22 1vdm s PRO 76 Cb -0.19 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1vdm s PRO 76 CO -0.08 -1.97 0.70 0.42 0.04 0.00 0.00 177.00 176.11 1vdm s ILE 77 N -3.26 4.97 0.32 0.56 1.01 -1.26 -4.71 121.20 118.83 1vdm s ILE 77 Ca 0.63 1.33 -0.26 0.00 0.00 0.00 0.00 60.65 62.34 1vdm s ILE 77 Cb -0.14 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 1vdm s ILE 77 CO 0.53 0.07 0.94 -2.28 0.00 0.00 0.00 174.94 174.21 1vdm s HIS 78 N 2.06 3.70 0.12 3.97 5.65 -1.26 -4.90 115.29 124.63 1vdm s HIS 78 Ca 0.32 1.78 0.00 0.00 0.25 0.00 0.00 55.06 57.41 1vdm s HIS 78 Cb -0.16 -2.92 0.00 0.00 -1.18 0.00 0.00 32.58 28.32 1vdm s HIS 78 CO 0.11 0.22 0.00 0.41 -0.65 0.00 0.00 174.74 174.83 1vdm n GLY 79 N 0.59 -2.02 3.82 1.59 0.00 -1.26 -4.94 105.19 102.97 1vdm n GLY 79 Ca 0.02 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.21 4.79 -0.18 1.61 3.84 -1.26 -5.04 116.67 116.23 1vdm s ASP 80 Ca 0.00 -0.89 0.13 0.00 -0.00 0.00 0.00 52.55 51.79 1vdm s ASP 80 Cb 0.00 -0.50 0.40 0.00 -1.38 0.00 0.00 42.92 41.44 1vdm s ASP 80 CO 0.00 -0.63 1.21 0.18 -0.00 0.00 0.00 175.17 175.93 1vdm n LEU 81 N -1.44 2.47 -4.73 2.11 4.77 -0.22 -5.07 117.00 114.90 1vdm n LEU 81 Ca 0.02 -3.60 -0.42 0.00 -0.03 0.00 0.00 56.01 51.97 1vdm n LEU 81 Cb 0.63 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1vdm n LEU 81 CO 0.44 1.23 1.27 1.17 -1.33 0.00 0.00 177.39 180.17 1vdm n LYS 82 N -0.97 2.66 -1.89 3.23 3.00 -1.13 -2.84 118.16 120.22 1vdm n LYS 82 Ca 0.17 0.95 -0.21 0.00 -0.00 0.00 0.00 58.31 59.22 1vdm n LYS 82 Cb 0.73 -2.75 -0.06 0.00 0.00 0.00 0.00 35.03 32.95 1vdm n LYS 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1vdm n ASP 83 N 2.87 -5.66 -4.32 3.14 -0.08 -1.24 -4.88 116.55 106.39 1vdm n ASP 83 Ca 0.12 0.32 -0.31 0.00 -1.51 0.00 0.00 54.79 53.41 1vdm n ASP 83 Cb 0.35 -4.89 -0.16 0.00 2.34 0.00 0.00 41.12 38.77 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 -4.23 2.24 -0.19 -0.67 1.02 -1.13 -4.84 119.74 111.93 1vdm s LYS 84 Ca 0.00 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 54.80 1vdm s LYS 84 Cb 0.00 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1vdm s LYS 84 CO 0.00 0.53 1.13 1.03 -0.92 0.00 0.00 175.35 177.12 1vdm s ARG 85 N -0.52 4.26 0.05 1.68 0.52 -1.26 -2.72 118.95 120.95 1vdm s ARG 85 Ca 0.07 1.49 0.03 0.00 -0.52 0.00 0.00 55.73 56.80 1vdm s ARG 85 Cb -0.11 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 1vdm s ARG 85 CO 0.00 -0.64 0.02 0.08 0.02 0.00 0.00 175.30 174.77 1vdm s VAL 86 N 3.24 4.18 -0.07 3.52 1.01 -0.73 0.32 120.40 131.88 1vdm s VAL 86 Ca 0.49 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1vdm s VAL 86 Cb -0.18 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.28 1vdm s VAL 86 CO 0.10 0.23 0.01 0.54 0.00 0.00 0.00 175.10 175.98 1vdm s VAL 87 N -1.23 0.33 -0.14 2.92 0.11 -1.09 -0.81 120.40 120.49 1vdm s VAL 87 Ca 0.24 0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.24 1vdm s VAL 87 Cb -0.12 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1vdm s VAL 87 CO 0.16 0.25 0.54 -0.63 -3.33 0.00 0.00 175.10 172.09 1vdm s ILE 88 N 1.94 5.13 -0.11 7.04 1.01 0.21 -1.54 121.20 134.88 1vdm s ILE 88 Ca 0.04 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.77 1vdm s ILE 88 Cb -0.12 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1vdm s ILE 88 CO -0.05 0.26 -0.18 -0.69 0.00 0.00 0.00 174.94 174.27 1vdm s VAL 89 N 1.02 2.58 0.20 2.92 1.01 -0.03 -0.33 120.40 127.78 1vdm s VAL 89 Ca 0.28 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1vdm s VAL 89 Cb -0.16 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1vdm s VAL 89 CO 0.11 0.55 0.29 -0.62 0.00 0.00 0.00 175.10 175.43 1vdm s ASP 90 N 0.25 0.04 -0.09 3.32 -1.08 -0.92 -1.45 116.67 116.76 1vdm s ASP 90 Ca -0.13 -1.05 -0.27 0.00 -0.52 0.00 0.00 52.55 50.59 1vdm s ASP 90 Cb -0.16 0.46 -0.22 0.00 -1.46 0.00 0.00 42.92 41.53 1vdm s ASP 90 CO 0.07 -0.95 0.96 -2.24 0.52 0.00 0.00 175.17 173.53 1vdm h ASP 91 N 2.49 -0.01 -3.87 -0.34 3.04 -1.84 -3.15 116.42 112.74 1vdm h ASP 91 Ca -0.31 -0.73 -0.14 0.00 -3.24 0.00 0.00 57.03 52.61 1vdm h ASP 91 Cb 1.24 0.00 -0.25 0.00 -1.04 0.00 0.00 39.33 39.29 1vdm h ASP 91 CO 0.46 0.74 -0.33 0.54 -2.04 0.00 0.00 179.24 178.60 1vdm s VAL 92 N -3.11 0.00 -0.55 4.15 0.11 -1.26 -0.70 120.40 119.05 1vdm s VAL 92 Ca -0.17 -0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 58.69 1vdm s VAL 92 Cb -0.01 -0.46 0.09 0.00 -1.53 0.00 0.00 36.38 34.47 1vdm s VAL 92 CO 0.65 -0.01 0.64 -0.55 -3.33 0.00 0.00 175.10 172.50 1vdm s SER 93 N 0.14 6.19 0.00 3.54 0.15 -0.36 -4.93 113.70 118.43 1vdm s SER 93 Ca -0.00 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1vdm s SER 93 Cb -0.02 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1vdm s SER 93 CO 0.01 -0.98 0.00 -0.67 1.20 0.00 0.00 173.24 172.79 1vdm n ASP 94 N 6.09 0.00 0.02 5.45 4.64 -1.26 -1.07 116.55 130.41 1vdm n ASP 94 Ca -0.09 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.17 1vdm n ASP 94 Cb 0.43 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.37 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 0.93 0.00 5.18 1.35 -1.91 -3.06 112.91 115.39 1vdm h THR 95 Ca 0.00 -2.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 1vdm h THR 95 Cb 0.00 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1vdm h THR 95 CO 0.00 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1vdm n GLY 96 N 1.70 1.09 0.21 5.82 0.00 -1.26 -0.30 105.19 112.45 1vdm n GLY 96 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 3.07 0.10 0.13 1.61 2.10 -1.99 -0.81 116.57 120.78 1vdm h LYS 97 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1vdm h LYS 97 Cb 0.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1vdm h LYS 97 CO 0.00 0.07 -0.06 1.15 -2.00 0.00 0.00 179.45 178.60 1vdm h THR 98 N 0.10 0.98 -0.89 0.07 2.02 -1.97 -2.88 112.91 110.33 1vdm h THR 98 Ca 0.27 -0.43 0.15 0.00 0.77 0.00 0.00 66.41 67.17 1vdm h THR 98 Cb 0.41 1.25 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 1vdm h THR 98 CO -0.46 0.10 0.58 -0.07 0.37 0.00 0.00 175.52 176.04 1vdm h LEU 99 N -0.37 0.64 -0.68 2.58 3.38 -1.88 -1.27 115.31 117.71 1vdm h LEU 99 Ca -0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1vdm h LEU 99 Cb 0.30 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1vdm h LEU 99 CO 0.03 0.31 0.29 -0.33 0.09 0.00 0.00 178.44 178.83 1vdm h GLU 100 N 0.67 1.00 -0.41 1.13 5.08 -0.99 0.16 114.58 121.22 1vdm h GLU 100 Ca 0.45 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1vdm h GLU 100 Cb 0.76 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1vdm h GLU 100 CO -0.21 0.82 0.06 0.28 -1.00 0.00 0.00 179.01 178.96 1vdm h VAL 101 N 0.96 1.20 -0.10 3.13 2.07 -1.05 -2.47 116.25 119.99 1vdm h VAL 101 Ca 0.23 -0.75 -0.19 0.00 0.82 0.00 0.00 66.70 66.81 1vdm h VAL 101 Cb 0.18 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1vdm h VAL 101 CO -0.02 0.27 -0.67 0.58 0.02 0.00 0.00 177.57 177.75 1vdm h VAL 102 N 0.60 1.33 -0.74 2.57 2.07 -0.74 -2.54 116.25 118.80 1vdm h VAL 102 Ca 0.13 -1.95 0.06 0.00 0.82 0.00 0.00 66.70 65.77 1vdm h VAL 102 Cb 0.29 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 1vdm h VAL 102 CO 0.00 0.60 0.49 0.40 0.02 0.00 0.00 177.57 179.08 1vdm h ILE 103 N 0.27 1.02 -0.16 4.57 2.04 -0.53 -1.11 117.51 123.60 1vdm h ILE 103 Ca -0.06 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1vdm h ILE 103 Cb 1.32 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1vdm h ILE 103 CO 0.14 0.14 -0.14 -0.08 0.00 0.00 0.00 178.15 178.20 1vdm h GLU 104 N 0.78 0.39 -0.37 2.37 4.22 -1.38 -2.20 114.58 118.38 1vdm h GLU 104 Ca 0.32 -0.20 -0.02 0.00 0.08 0.00 0.00 59.36 59.54 1vdm h GLU 104 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1vdm h GLU 104 CO -0.11 0.75 0.14 0.93 -2.18 0.00 0.00 179.01 178.54 1vdm h GLU 105 N 0.03 0.52 -0.01 1.92 4.39 -1.00 -2.07 114.58 118.36 1vdm h GLU 105 Ca 0.03 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1vdm h GLU 105 Cb 0.67 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1vdm h GLU 105 CO 0.04 0.44 -0.00 0.28 -1.16 0.00 0.00 179.01 178.60 1vdm h VAL 106 N 0.52 1.31 -0.86 3.13 2.07 -1.15 -3.04 116.25 118.22 1vdm h VAL 106 Ca 0.13 -0.91 0.09 0.00 0.82 0.00 0.00 66.70 66.82 1vdm h VAL 106 Cb 0.12 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1vdm h VAL 106 CO -0.01 0.24 0.52 0.11 0.02 0.00 0.00 177.57 178.45 1vdm h LYS 107 N -0.35 0.86 -0.01 1.57 1.57 -1.12 -0.98 116.57 118.12 1vdm h LYS 107 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1vdm h LYS 107 Cb 0.39 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1vdm h LYS 107 CO 0.00 0.57 0.00 0.36 -0.57 0.00 0.00 179.45 179.81 1vdm n LYS 108 N -4.68 1.08 -0.40 3.15 2.85 -0.80 -0.50 118.16 118.87 1vdm n LYS 108 Ca 0.14 -0.12 0.11 0.00 -1.05 0.00 0.00 58.31 57.38 1vdm n LYS 108 Cb 0.25 -1.42 0.32 0.00 -0.65 0.00 0.00 35.03 33.53 1vdm n LYS 108 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1vdm n LEU 109 N -0.78 3.94 -2.51 -5.58 4.77 -0.38 -4.98 117.00 111.48 1vdm n LEU 109 Ca 0.20 -1.97 -0.16 0.00 -0.03 0.00 0.00 56.01 54.05 1vdm n LEU 109 Cb 0.12 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1vdm n LEU 109 CO 0.15 0.93 0.14 0.61 -1.33 0.00 0.00 177.39 177.89 1vdm n GLY 110 N 1.55 -0.06 3.72 -0.72 0.00 0.35 -1.05 105.19 108.98 1vdm n GLY 110 Ca 0.24 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.18 3.86 0.00 4.61 0.00 -1.18 -3.61 121.76 122.26 1vdm s ALA 111 Ca 0.37 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1vdm s ALA 111 Cb -0.16 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1vdm s ALA 111 CO 0.46 -0.87 0.92 1.17 0.00 0.00 0.00 175.76 177.44 1vdm n LYS 112 N 3.81 0.00 -4.41 0.00 4.81 -1.10 -4.82 118.16 116.45 1vdm n LYS 112 Ca 0.14 0.46 -0.24 0.00 -0.87 0.00 0.00 58.31 57.81 1vdm n LYS 112 Cb 0.37 -1.42 -0.09 0.00 0.02 0.00 0.00 35.03 33.90 1vdm n LYS 112 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1vdm s GLU 113 N -2.70 1.90 -0.02 1.64 2.12 -1.23 -5.01 118.70 115.40 1vdm s GLU 113 Ca 0.00 -1.65 0.01 0.00 0.36 0.00 0.00 54.97 53.69 1vdm s GLU 113 Cb 0.00 -1.91 0.02 0.00 0.26 0.00 0.00 34.13 32.50 1vdm s GLU 113 CO 0.00 0.34 -0.02 0.42 -0.54 0.00 0.00 175.26 175.46 1vdm s ILE 114 N -2.45 0.26 0.08 -3.70 1.01 -1.26 -1.77 121.20 113.37 1vdm s ILE 114 Ca 0.31 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.98 1vdm s ILE 114 Cb -0.05 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 1vdm s ILE 114 CO 0.17 0.14 -0.11 -0.75 0.00 0.00 0.00 174.94 174.39 1vdm s LYS 115 N 0.69 0.77 -0.09 2.79 2.47 0.01 -4.99 119.74 121.39 1vdm s LYS 115 Ca -0.07 -1.01 0.01 0.00 -1.56 0.00 0.00 55.97 53.34 1vdm s LYS 115 Cb -0.10 -0.58 0.02 0.00 -1.46 0.00 0.00 37.83 35.71 1vdm s LYS 115 CO -0.01 0.11 -0.11 0.42 0.16 0.00 0.00 175.35 175.91 1vdm s ILE 116 N -1.86 1.17 -0.10 5.43 1.01 -1.26 0.65 121.20 126.24 1vdm s ILE 116 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1vdm s ILE 116 Cb -0.07 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1vdm s ILE 116 CO 0.01 0.38 -0.19 0.00 0.00 0.00 0.00 174.94 175.14 1vdm s ALA 117 N 1.08 1.84 0.12 9.38 0.00 0.56 -0.97 121.76 133.77 1vdm s ALA 117 Ca -0.06 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1vdm s ALA 117 Cb -0.14 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1vdm s ALA 117 CO -0.01 0.10 -0.09 0.00 0.00 0.00 0.00 175.76 175.75 1vdm h LEU 119 N 2.94 0.32 -8.51 0.00 3.38 -0.86 -3.31 115.31 109.27 1vdm h LEU 119 Ca -0.36 -0.73 -0.22 0.00 0.09 0.00 0.00 57.88 56.66 1vdm h LEU 119 Cb 1.18 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 1vdm h LEU 119 CO 0.63 1.00 -0.64 0.00 0.09 0.00 0.00 178.44 179.52 1vdm s ALA 120 N -3.31 1.03 -0.01 1.53 0.00 -0.29 -0.68 121.76 120.03 1vdm s ALA 120 Ca -0.15 -1.58 -0.13 0.00 0.00 0.00 0.00 51.96 50.11 1vdm s ALA 120 Cb 0.02 1.05 0.02 0.00 0.00 0.00 0.00 23.12 24.21 1vdm s ALA 120 CO 0.76 -0.52 0.27 0.00 0.00 0.00 0.00 175.76 176.27 1vdm s MET 121 N -4.08 0.62 -0.13 0.00 0.23 0.05 -1.23 119.30 114.77 1vdm s MET 121 Ca 0.30 -0.25 -0.04 0.00 -1.03 0.00 0.00 55.69 54.67 1vdm s MET 121 Cb 0.07 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 1vdm s MET 121 CO 0.06 -0.17 0.03 0.15 -2.03 0.00 0.00 175.02 173.06 1vdm s LYS 122 N -1.35 3.41 0.35 3.16 1.02 -0.23 -2.74 119.74 123.35 1vdm s LYS 122 Ca -0.14 -0.37 0.25 0.00 0.02 0.00 0.00 55.97 55.72 1vdm s LYS 122 Cb -0.06 -2.97 1.19 0.00 -0.52 0.00 0.00 37.83 35.47 1vdm s LYS 122 CO 0.04 0.53 1.27 -2.30 -0.92 0.00 0.00 175.35 173.96 1vdm n PRO 123 N 2.71 -0.03 -0.22 -1.68 -0.02 -1.26 -0.97 135.00 133.53 1vdm n PRO 123 Ca -0.18 1.03 0.09 0.00 -2.02 0.00 0.00 63.50 62.43 1vdm n PRO 123 Cb 0.53 -2.00 0.26 0.00 -0.02 0.00 0.00 33.50 32.27 1vdm n PRO 123 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1vdm n TRP 124 N -4.41 0.58 -2.06 6.00 2.14 -1.26 -4.97 117.44 113.47 1vdm n TRP 124 Ca 0.32 -0.29 -0.37 0.00 2.07 0.00 0.00 57.50 59.24 1vdm n TRP 124 Cb 1.23 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 31.75 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 -1.42 2.69 -0.33 -1.67 -1.32 -0.14 -4.87 115.64 108.59 1vdm s THR 125 Ca 0.35 0.47 0.21 0.00 -1.21 0.00 0.00 61.69 61.52 1vdm s THR 125 Cb 0.19 -3.21 0.19 0.00 -1.51 0.00 0.00 72.50 68.16 1vdm s THR 125 CO 0.26 -0.05 1.41 0.77 -2.21 0.00 0.00 174.62 174.80 1vdm h SER 126 N 1.34 0.00 -3.77 8.08 4.64 -0.90 -3.41 113.55 119.52 1vdm h SER 126 Ca -0.50 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.14 1vdm h SER 126 Cb 1.28 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.00 1vdm h SER 126 CO 0.57 0.11 -0.58 -0.69 -0.87 0.00 0.00 176.83 175.37 1vdm s VAL 127 N -3.19 2.97 -0.17 0.95 1.01 -1.26 -5.03 120.40 115.68 1vdm s VAL 127 Ca 0.04 -2.46 -0.29 0.00 0.00 0.00 0.00 61.98 59.27 1vdm s VAL 127 Cb 0.07 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 1vdm s VAL 127 CO 0.72 -0.71 1.07 -0.69 0.00 0.00 0.00 175.10 175.49 1vdm s VAL 128 N 0.68 4.63 0.56 2.92 1.01 -1.26 -4.90 120.40 124.03 1vdm s VAL 128 Ca 0.12 1.94 -0.21 0.00 0.00 0.00 0.00 61.98 63.83 1vdm s VAL 128 Cb -0.22 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1vdm s VAL 128 CO -0.05 -0.10 1.33 -2.84 0.00 0.00 0.00 175.10 173.44 1vdm s PRO 129 N 2.79 3.07 0.43 2.72 0.02 -1.26 -4.88 135.00 137.89 1vdm s PRO 129 Ca 0.48 2.16 0.21 0.00 0.02 0.00 0.00 61.00 63.87 1vdm s PRO 129 Cb -0.18 -2.18 0.96 0.00 0.02 0.00 0.00 34.50 33.12 1vdm s PRO 129 CO 0.12 -1.22 1.87 -0.44 -0.33 0.00 0.00 177.00 177.00 1vdm h ASP 130 N 1.32 0.00 -3.40 2.53 5.19 -1.44 -3.42 116.42 117.20 1vdm h ASP 130 Ca -0.51 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 55.65 1vdm h ASP 130 Cb 1.30 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 40.49 1vdm h ASP 130 CO 0.57 0.27 -0.61 -0.31 -3.12 0.00 0.00 179.24 176.04 1vdm s TYR 131 N -3.93 -0.16 0.27 4.55 1.51 -0.83 -5.02 117.35 113.76 1vdm s TYR 131 Ca -0.01 0.48 -0.16 0.00 -1.01 0.00 0.00 57.07 56.37 1vdm s TYR 131 Cb 0.12 -0.11 0.01 0.00 -0.11 0.00 0.00 41.96 41.87 1vdm s TYR 131 CO 0.66 -0.17 0.60 1.52 -1.11 0.00 0.00 175.55 177.04 1vdm s TYR 132 N 1.29 0.14 0.00 2.71 -0.85 -1.25 -0.72 117.35 118.67 1vdm s TYR 132 Ca -0.08 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 1vdm s TYR 132 Cb -0.12 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.66 1vdm s TYR 132 CO -0.06 -1.14 0.00 0.28 -1.52 0.00 0.00 175.55 173.12 1vdm n VAL 133 N -0.43 0.00 -4.58 -3.49 0.31 -0.45 -5.01 118.33 104.68 1vdm n VAL 133 Ca -0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.96 1vdm n VAL 133 Cb 0.61 -0.48 -0.12 0.00 -0.91 0.00 0.00 33.84 32.93 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 -1.83 2.95 -0.15 3.52 0.40 0.15 -5.00 117.98 118.02 1vdm s PHE 134 Ca 0.00 -0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1vdm s PHE 134 Cb 0.00 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.74 1vdm s PHE 134 CO 0.00 0.17 -0.19 0.50 0.70 0.00 0.00 175.22 176.40 1vdm s ARG 135 N -0.36 3.10 0.12 0.44 3.52 -1.26 -0.77 118.95 123.73 1vdm s ARG 135 Ca 0.05 -0.81 -0.22 0.00 -0.13 0.00 0.00 55.73 54.62 1vdm s ARG 135 Cb -0.12 -2.53 0.06 0.00 -1.56 0.00 0.00 34.95 30.80 1vdm s ARG 135 CO 0.02 -0.02 0.55 -0.08 -0.81 0.00 0.00 175.30 174.97 1vdm s THR 136 N 0.85 0.02 -0.34 4.11 -1.32 -1.11 -4.99 115.64 112.86 1vdm s THR 136 Ca -0.05 -0.16 0.16 0.00 -1.21 0.00 0.00 61.69 60.42 1vdm s THR 136 Cb -0.15 -1.03 -0.21 0.00 -1.51 0.00 0.00 72.50 69.59 1vdm s THR 136 CO -0.02 -0.09 0.49 -0.62 -2.21 0.00 0.00 174.62 172.17 1vdm n GLU 137 N -0.11 1.10 -1.72 7.08 1.02 -1.26 -4.25 120.64 122.50 1vdm n GLU 137 Ca -0.17 -0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.58 1vdm n GLU 137 Cb 0.63 -1.32 0.05 0.00 -0.02 0.00 0.00 31.44 30.78 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 -2.83 2.91 0.29 3.49 1.02 -1.26 -5.01 119.74 118.34 1vdm s LYS 138 Ca -0.01 0.71 -0.29 0.00 0.02 0.00 0.00 55.97 56.40 1vdm s LYS 138 Cb 0.11 -2.01 -0.10 0.00 -0.52 0.00 0.00 37.83 35.32 1vdm s LYS 138 CO 0.66 -1.06 1.16 -0.46 -0.92 0.00 0.00 175.35 174.73 1vdm s TRP 139 N -3.18 3.44 -0.19 3.18 -0.11 -1.26 -4.83 118.94 115.98 1vdm s TRP 139 Ca 0.58 1.61 -0.08 0.00 1.22 0.00 0.00 56.10 59.43 1vdm s TRP 139 Cb -0.13 -3.39 -0.04 0.00 -1.50 0.00 0.00 33.47 28.41 1vdm s TRP 139 CO 0.54 -0.92 0.08 0.42 -4.62 0.00 0.00 176.95 172.45 1vdm s ILE 140 N -1.07 4.96 -0.32 5.86 1.01 -1.26 -1.74 121.20 128.63 1vdm s ILE 140 Ca 0.46 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 61.05 1vdm s ILE 140 Cb -0.34 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 38.89 1vdm s ILE 140 CO 0.44 0.45 0.15 -0.69 0.00 0.00 0.00 174.94 175.28 1vdm s VAL 141 N 0.44 4.42 0.50 2.92 1.01 0.12 -4.96 120.40 124.84 1vdm s VAL 141 Ca 0.05 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1vdm s VAL 141 Cb -0.12 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1vdm s VAL 141 CO -0.00 -0.01 0.87 -0.36 0.00 0.00 0.00 175.10 175.61 1vdm s PHE 142 N 1.57 3.53 0.58 5.22 0.40 -1.26 -1.95 117.98 126.07 1vdm s PHE 142 Ca 0.03 1.11 0.29 0.00 -0.60 0.00 0.00 56.93 57.77 1vdm s PHE 142 Cb -0.18 -2.53 1.47 0.00 0.51 0.00 0.00 43.02 42.29 1vdm s PHE 142 CO 0.05 -0.34 1.90 -1.35 0.70 0.00 0.00 175.22 176.18 1vdm h PRO 143 N 0.54 0.00 -0.29 0.24 0.11 -1.85 -0.31 132.00 130.43 1vdm h PRO 143 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1vdm h PRO 143 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vdm h PRO 143 CO 0.62 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.74 1vdm n TRP 144 N -3.85 0.37 -3.95 0.65 2.14 -1.26 -4.93 117.44 106.62 1vdm n TRP 144 Ca 0.10 -0.19 -0.31 0.00 2.07 0.00 0.00 57.50 59.17 1vdm n TRP 144 Cb 0.72 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.18 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 -1.63 3.32 0.60 -2.67 2.02 -0.13 -5.11 118.70 115.09 1vdm s GLU 145 Ca 0.36 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 1vdm s GLU 145 Cb 0.21 -2.98 0.04 0.00 0.10 0.00 0.00 34.13 31.50 1vdm s GLU 145 CO 0.29 0.61 0.86 -1.21 0.02 0.00 0.00 175.26 175.83 1vdm s GLU 146 N -2.41 2.51 0.17 1.61 8.01 -1.26 -4.86 118.70 122.47 1vdm s GLU 146 Ca 0.33 -0.50 0.05 0.00 0.01 0.00 0.00 54.97 54.86 1vdm s GLU 146 Cb -0.13 -2.36 -0.04 0.00 -4.31 0.00 0.00 34.13 27.29 1vdm s GLU 146 CO 0.26 -0.85 0.12 -0.06 0.01 0.00 0.00 175.26 174.73 1vdm s PHE 147 N -2.93 3.11 0.38 1.61 0.08 -1.26 -5.05 117.98 113.92 1vdm s PHE 147 Ca 0.57 -0.04 -0.05 0.00 0.12 0.00 0.00 56.93 57.53 1vdm s PHE 147 Cb -0.10 -1.49 -0.05 0.00 -0.57 0.00 0.00 43.02 40.81 1vdm s PHE 147 CO 0.41 0.52 0.67 -2.14 -0.10 0.00 0.00 175.22 174.58 1vdm s PRO 148 N -3.10 3.60 -0.08 0.24 0.02 -1.26 -5.09 135.00 129.33 1vdm s PRO 148 Ca 0.31 0.09 0.02 0.00 0.02 0.00 0.00 61.00 61.44 1vdm s PRO 148 Cb -0.10 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.89 1vdm s PRO 148 CO 0.23 0.02 -0.13 0.08 -0.33 0.00 0.00 177.00 176.87 1vdm s VAL 149 N -2.39 3.15 -0.47 3.83 1.01 -1.26 -5.08 120.40 119.18 1vdm s VAL 149 Ca 0.46 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 1vdm s VAL 149 Cb -0.10 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.04 1vdm s VAL 149 CO 0.36 0.57 0.65 -0.63 0.00 0.00 0.00 175.10 176.05 1vdm s ILE 150 N -0.34 4.82 0.57 2.22 1.01 -1.26 -5.04 121.20 123.17 1vdm s ILE 150 Ca 0.04 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.68 1vdm s ILE 150 Cb -0.13 -4.26 0.08 0.00 0.01 0.00 0.00 42.46 38.17 1vdm s ILE 150 CO 0.02 -0.70 0.73 -1.61 0.00 0.00 0.00 174.94 173.38 1vdm s GLU 151 N 2.82 2.29 0.03 2.79 2.02 -1.26 -5.11 118.70 122.27 1vdm s GLU 151 Ca 0.20 -1.72 -0.07 0.00 0.02 0.00 0.00 54.97 53.40 1vdm s GLU 151 Cb -0.16 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 1vdm s GLU 151 CO 0.16 -0.83 0.30 0.15 0.02 0.00 0.00 175.26 175.07 1vdm s LYS 152 N -4.61 3.63 0.00 1.61 1.02 -1.26 -5.34 119.74 114.79 1vdm s LYS 152 Ca 0.57 -0.01 0.24 0.00 0.02 0.00 0.00 55.97 56.79 1vdm s LYS 152 Cb -0.05 -3.06 1.41 0.00 -0.52 0.00 0.00 37.83 35.61 1vdm s LYS 152 CO 0.36 0.62 1.78 0.39 -0.92 0.00 0.00 175.35 177.58