#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 3.50 -4.49 7.83 5.68 -1.26 -4.87 116.55 122.95 1vdm n ASP 2 Ca 0.00 -2.53 -0.26 0.00 -0.50 0.00 0.00 54.79 51.49 1vdm n ASP 2 Cb 0.00 -0.61 -0.11 0.00 -1.14 0.00 0.00 41.12 39.27 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 -1.91 1.76 -0.24 0.11 1.02 -1.26 -4.13 119.74 115.08 1vdm s LYS 3 Ca 0.29 -1.45 -0.07 0.00 0.02 0.00 0.00 55.97 54.76 1vdm s LYS 3 Cb 0.22 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.54 1vdm s LYS 3 CO 0.08 0.41 0.07 0.08 -0.92 0.00 0.00 175.35 175.07 1vdm s VAL 4 N -1.77 4.38 -0.59 3.17 1.01 -0.50 -4.97 120.40 121.13 1vdm s VAL 4 Ca 0.23 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1vdm s VAL 4 Cb -0.08 -3.04 0.15 0.00 0.00 0.00 0.00 36.38 33.41 1vdm s VAL 4 CO 0.13 0.35 0.51 -0.31 0.00 0.00 0.00 175.10 175.78 1vdm s TYR 5 N 1.45 3.43 0.43 5.22 1.51 -1.26 0.59 117.35 128.71 1vdm s TYR 5 Ca 0.06 -1.72 -0.25 0.00 -1.01 0.00 0.00 57.07 54.15 1vdm s TYR 5 Cb -0.15 -3.67 -0.08 0.00 -0.11 0.00 0.00 41.96 37.95 1vdm s TYR 5 CO 0.04 -0.99 1.25 -0.51 -1.11 0.00 0.00 175.55 174.22 1vdm s LEU 6 N 1.09 4.14 0.33 -1.29 1.43 -0.90 -4.99 118.68 118.50 1vdm s LEU 6 Ca 0.08 2.52 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 1vdm s LEU 6 Cb -0.24 -4.03 -0.01 0.00 0.03 0.00 0.00 46.19 41.94 1vdm s LEU 6 CO -0.01 -0.88 0.43 0.42 0.23 0.00 0.00 176.35 176.54 1vdm s THR 7 N -1.36 4.03 0.32 5.49 -4.23 -1.26 -3.41 115.64 115.22 1vdm s THR 7 Ca 0.59 -1.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 1vdm s THR 7 Cb -0.35 -3.39 0.21 0.00 1.34 0.00 0.00 72.50 70.32 1vdm s THR 7 CO 0.43 -0.17 1.93 -0.50 -0.54 0.00 0.00 174.62 175.78 1vdm h TRP 8 N 0.97 0.78 -0.31 3.99 4.06 -1.97 -0.77 115.95 122.71 1vdm h TRP 8 Ca -0.46 -0.02 -0.10 0.00 2.06 0.00 0.00 58.89 60.37 1vdm h TRP 8 Cb 1.25 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1vdm h TRP 8 CO 0.44 0.58 -0.22 2.35 -3.56 0.00 0.00 178.44 178.03 1vdm h TRP 9 N 0.79 0.65 -0.27 0.49 -0.00 -1.98 0.59 115.95 116.22 1vdm h TRP 9 Ca 0.20 -0.13 -0.05 0.00 -0.00 0.00 0.00 58.89 58.90 1vdm h TRP 9 Cb 0.09 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.08 1vdm h TRP 9 CO 0.01 0.76 -0.03 1.96 -0.00 0.00 0.00 178.44 181.13 1vdm h GLN 10 N 0.52 0.51 -0.11 2.65 4.20 -1.77 -1.56 115.11 119.54 1vdm h GLN 10 Ca 0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1vdm h GLN 10 Cb 0.66 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1vdm h GLN 10 CO 0.05 0.69 0.05 0.28 -0.67 0.00 0.00 178.83 179.23 1vdm h VAL 11 N 0.28 1.13 -0.75 -0.54 2.07 -0.84 0.63 116.25 118.24 1vdm h VAL 11 Ca 0.07 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.28 1vdm h VAL 11 Cb 0.48 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 1vdm h VAL 11 CO 0.02 0.12 0.41 0.44 0.02 0.00 0.00 177.57 178.58 1vdm h ASP 12 N 0.04 0.59 -0.25 0.57 3.32 0.25 0.17 116.42 121.10 1vdm h ASP 12 Ca 0.04 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1vdm h ASP 12 Cb 0.15 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1vdm h ASP 12 CO -0.00 0.36 -0.35 0.03 -1.72 0.00 0.00 179.24 177.55 1vdm h ARG 13 N 0.72 0.78 -0.10 3.56 3.08 -1.09 -1.32 114.38 120.00 1vdm h ARG 13 Ca 0.35 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1vdm h ARG 13 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1vdm h ARG 13 CO -0.23 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.69 1vdm h ALA 14 N 0.95 0.09 -0.44 0.04 0.00 0.09 -0.36 119.26 119.63 1vdm h ALA 14 Ca 0.06 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1vdm h ALA 14 Cb 0.90 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1vdm h ALA 14 CO 0.08 -0.46 0.21 0.82 0.00 0.00 0.00 179.25 179.90 1vdm h ILE 15 N 0.04 0.95 -0.78 0.00 2.04 -0.56 -0.24 117.51 118.96 1vdm h ILE 15 Ca 0.05 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1vdm h ILE 15 Cb 0.05 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1vdm h ILE 15 CO -0.08 0.08 0.38 0.15 0.00 0.00 0.00 178.15 178.68 1vdm h PHE 16 N 0.42 1.12 0.14 1.37 3.04 -0.95 0.42 116.94 122.50 1vdm h PHE 16 Ca 0.19 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 1vdm h PHE 16 Cb 0.12 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.28 1vdm h PHE 16 CO -0.11 0.81 -0.07 0.00 -2.02 0.00 0.00 178.31 176.92 1vdm h ALA 17 N 1.20 -0.19 -0.57 2.41 0.00 -0.53 -2.75 119.26 118.84 1vdm h ALA 17 Ca 0.27 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1vdm h ALA 17 Cb 0.11 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1vdm h ALA 17 CO -0.03 -0.56 0.30 -0.07 0.00 0.00 0.00 179.25 178.88 1vdm h LEU 18 N -0.28 0.43 -1.30 0.00 3.38 -0.84 -2.69 115.31 114.00 1vdm h LEU 18 Ca -0.02 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1vdm h LEU 18 Cb 0.22 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1vdm h LEU 18 CO 0.03 0.29 0.56 0.00 0.09 0.00 0.00 178.44 179.41 1vdm h ALA 19 N 1.30 1.82 -0.07 1.53 0.00 -0.71 -1.10 119.26 122.03 1vdm h ALA 19 Ca 0.25 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1vdm h ALA 19 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vdm h ALA 19 CO -0.17 -0.05 -0.46 1.49 0.00 0.00 0.00 179.25 180.06 1vdm h GLU 20 N 0.70 0.17 -0.03 0.00 4.57 -1.19 -2.52 114.58 116.28 1vdm h GLU 20 Ca 0.43 -0.09 -0.20 0.00 -1.18 0.00 0.00 59.36 58.33 1vdm h GLU 20 Cb 0.66 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1vdm h GLU 20 CO -0.19 0.60 -0.83 0.87 -1.18 0.00 0.00 179.01 178.27 1vdm h LYS 21 N 0.14 0.34 0.00 1.92 6.56 -1.23 -3.16 116.57 121.13 1vdm h LYS 21 Ca 0.01 -0.32 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1vdm h LYS 21 Cb 0.87 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 1vdm h LYS 21 CO 0.07 1.00 0.00 -0.07 -2.06 0.00 0.00 179.45 178.39 1vdm h LEU 22 N 0.21 0.00 -0.94 2.94 3.38 -1.03 -2.82 115.31 117.04 1vdm h LEU 22 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1vdm h LEU 22 Cb 1.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1vdm h LEU 22 CO 0.14 0.00 -0.33 0.03 0.09 0.00 0.00 178.44 178.37 1vdm h ARG 23 N 0.00 0.00 -0.11 1.13 3.08 -1.42 0.11 114.38 117.18 1vdm h ARG 23 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1vdm h ARG 23 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1vdm h ARG 23 CO 0.00 0.33 -0.63 0.93 -1.07 0.00 0.00 179.97 179.53 1vdm h GLU 24 N 0.00 0.39 0.09 0.04 5.08 -1.63 -3.17 114.58 115.38 1vdm h GLU 24 Ca -0.00 -0.28 -0.25 0.00 -1.00 0.00 0.00 59.36 57.82 1vdm h GLU 24 Cb 0.87 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1vdm h GLU 24 CO 0.04 0.90 -1.16 -0.92 -1.00 0.00 0.00 179.01 176.87 1vdm h TYR 25 N 0.28 0.39 -5.25 4.33 3.20 -1.54 -3.49 116.97 114.89 1vdm h TYR 25 Ca -0.01 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1vdm h TYR 25 Cb 1.18 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1vdm h TYR 25 CO 0.04 1.20 -0.01 1.63 -1.64 0.00 0.00 178.16 179.38 1vdm n LYS 26 N -3.51 -1.27 -2.03 1.82 5.02 -0.00 -4.96 118.16 113.22 1vdm n LYS 26 Ca -0.06 1.46 -0.38 0.00 -2.02 0.00 0.00 58.31 57.30 1vdm n LYS 26 Cb 0.99 -5.55 0.01 0.00 -0.02 0.00 0.00 35.03 30.46 1vdm n LYS 26 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1vdm s PRO 27 N -2.99 3.60 -0.14 1.97 0.02 -1.26 -4.84 135.00 131.37 1vdm s PRO 27 Ca 0.00 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 63.04 1vdm s PRO 27 Cb -0.00 -2.45 -0.24 0.00 0.02 0.00 0.00 34.50 31.82 1vdm s PRO 27 CO 0.71 -0.76 0.30 -0.25 -0.33 0.00 0.00 177.00 176.67 1vdm n ASP 28 N -0.51 1.94 -3.91 2.53 10.43 0.07 -4.98 116.55 122.11 1vdm n ASP 28 Ca 0.07 0.17 -0.10 0.00 2.57 0.00 0.00 54.79 57.51 1vdm n ASP 28 Cb 0.46 -0.68 -0.09 0.00 1.84 0.00 0.00 41.12 42.65 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 -2.56 0.12 0.04 2.53 0.11 -1.21 -4.16 120.40 115.27 1vdm s VAL 29 Ca -0.22 -1.00 0.06 0.00 -2.93 0.00 0.00 61.98 57.89 1vdm s VAL 29 Cb 0.07 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1vdm s VAL 29 CO 0.75 -0.55 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.20 1vdm s ILE 30 N -2.35 3.10 -0.31 7.04 1.01 -0.63 -2.58 121.20 126.48 1vdm s ILE 30 Ca -0.07 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.52 1vdm s ILE 30 Cb -0.03 -2.34 0.09 0.00 0.01 0.00 0.00 42.46 40.20 1vdm s ILE 30 CO -0.03 0.33 0.05 -0.63 0.00 0.00 0.00 174.94 174.65 1vdm s ILE 31 N -0.98 1.67 0.00 2.92 1.01 -0.31 -1.28 121.20 124.23 1vdm s ILE 31 Ca 0.16 -1.82 -0.28 0.00 0.00 0.00 0.00 60.65 58.71 1vdm s ILE 31 Cb -0.11 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1vdm s ILE 31 CO 0.07 -0.53 0.90 -0.83 0.00 0.00 0.00 174.94 174.54 1vdm s GLY 32 N 1.23 2.85 -0.55 6.18 0.00 0.08 -1.37 107.32 115.74 1vdm s GLY 32 Ca 0.07 0.43 -0.20 0.00 0.00 0.00 0.00 44.72 45.02 1vdm s GLY 32 CO -0.14 1.50 0.74 0.14 0.00 0.00 0.00 173.10 175.35 1vdm s VAL 33 N 0.77 4.71 0.66 1.40 1.01 -0.85 -1.96 120.40 126.13 1vdm s VAL 33 Ca 0.47 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 1vdm s VAL 33 Cb -0.20 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 1vdm s VAL 33 CO 0.26 -0.99 0.60 0.00 0.00 0.00 0.00 175.10 174.97 1vdm n ALA 34 N 6.63 -1.11 -0.10 5.51 0.00 -0.51 -1.65 120.51 129.28 1vdm n ALA 34 Ca -0.05 -0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1vdm n ALA 34 Cb 0.45 -1.89 -0.07 0.00 0.00 0.00 0.00 19.45 17.94 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 -0.60 0.43 -0.34 0.00 5.12 -1.26 -4.60 116.66 115.40 1vdm n ARG 35 Ca 0.11 0.19 0.29 0.00 -1.93 0.00 0.00 57.85 56.51 1vdm n ARG 35 Cb 0.49 -1.22 0.61 0.00 -1.16 0.00 0.00 32.46 31.18 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 -0.66 0.80 2.00 -0.13 0.00 -2.02 0.86 103.07 103.92 1vdm h GLY 36 Ca -0.51 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1vdm h GLY 36 CO -0.30 -0.12 0.00 0.61 0.00 0.00 0.00 176.54 176.72 1vdm n GLY 37 N -1.58 -0.76 0.17 4.60 0.00 -0.66 -2.51 105.19 104.45 1vdm n GLY 37 Ca 0.27 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.46 0.13 0.99 3.38 -0.91 -2.46 115.31 116.90 1vdm h LEU 38 Ca 0.00 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.67 1vdm h LEU 38 Cb 0.09 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1vdm h LEU 38 CO 0.00 1.06 -0.45 0.40 0.09 0.00 0.00 178.44 179.55 1vdm h ILE 39 N 0.25 0.11 -0.78 1.22 5.03 -1.66 0.49 117.51 122.17 1vdm h ILE 39 Ca -0.04 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.67 1vdm h ILE 39 Cb 1.36 0.11 -0.04 0.00 -3.03 0.00 0.00 36.82 35.22 1vdm h ILE 39 CO 0.13 0.00 0.36 -0.65 -0.68 0.00 0.00 178.15 177.31 1vdm h PRO 40 N -0.69 1.13 -0.43 2.37 0.11 -1.73 -2.33 132.00 130.44 1vdm h PRO 40 Ca 0.01 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 1vdm h PRO 40 Cb 0.71 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1vdm h PRO 40 CO -0.25 0.89 0.26 0.00 -0.21 0.00 0.00 178.00 178.69 1vdm h ALA 41 N 1.18 0.55 0.32 -0.75 0.00 -0.92 0.33 119.26 119.98 1vdm h ALA 41 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1vdm h ALA 41 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1vdm h ALA 41 CO -0.03 0.04 -0.15 0.28 0.00 0.00 0.00 179.25 179.39 1vdm h VAL 42 N 0.57 0.70 -0.40 0.00 2.07 0.03 0.24 116.25 119.46 1vdm h VAL 42 Ca 0.15 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1vdm h VAL 42 Cb 0.00 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1vdm h VAL 42 CO -0.03 0.06 -0.13 0.03 0.02 0.00 0.00 177.57 177.52 1vdm h ARG 43 N -0.58 -0.04 -0.42 1.57 2.47 -1.23 -0.73 114.38 115.42 1vdm h ARG 43 Ca -0.04 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 1vdm h ARG 43 Cb 0.42 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1vdm h ARG 43 CO 0.07 -0.03 0.10 -0.07 0.56 0.00 0.00 179.97 180.61 1vdm h LEU 44 N -0.04 0.58 -0.43 3.04 3.38 -0.24 -1.43 115.31 120.16 1vdm h LEU 44 Ca 0.19 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1vdm h LEU 44 Cb 0.34 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1vdm h LEU 44 CO -0.43 0.58 0.12 -1.28 0.09 0.00 0.00 178.44 177.51 1vdm h SER 45 N 0.61 0.09 0.05 -0.43 0.87 0.53 -0.22 113.55 115.05 1vdm h SER 45 Ca 0.14 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1vdm h SER 45 Cb 0.23 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1vdm h SER 45 CO -0.00 0.08 -0.02 0.45 -0.53 0.00 0.00 176.83 176.81 1vdm h HIS 46 N 0.27 -0.06 -0.81 2.24 3.86 -0.98 -1.07 115.15 118.59 1vdm h HIS 46 Ca 0.20 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1vdm h HIS 46 Cb 0.22 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 1vdm h HIS 46 CO -0.18 0.35 0.49 0.82 0.86 0.00 0.00 177.93 180.28 1vdm h ILE 47 N -0.49 1.22 -0.12 2.45 2.04 -1.10 -2.76 117.51 118.75 1vdm h ILE 47 Ca -0.01 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 1vdm h ILE 47 Cb 0.44 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1vdm h ILE 47 CO 0.01 0.23 0.07 0.18 0.00 0.00 0.00 178.15 178.65 1vdm n LEU 48 N -4.38 3.18 -1.41 1.44 4.77 -0.11 -4.79 117.00 115.70 1vdm n LEU 48 Ca 0.09 -1.62 -0.02 0.00 -0.03 0.00 0.00 56.01 54.42 1vdm n LEU 48 Cb 0.06 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 1vdm n LEU 48 CO 0.37 0.53 0.01 0.61 -1.33 0.00 0.00 177.39 177.58 1vdm n GLY 49 N 0.25 0.36 4.10 -0.72 0.00 -1.05 -4.28 105.19 103.84 1vdm n GLY 49 Ca 0.07 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.37 -1.24 -4.84 1.61 10.43 -0.43 -4.92 116.55 115.79 1vdm n ASP 50 Ca -0.04 -1.17 -0.33 0.00 2.57 0.00 0.00 54.79 55.83 1vdm n ASP 50 Cb 0.52 -1.42 -0.06 0.00 1.84 0.00 0.00 41.12 42.00 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 -3.99 4.54 -0.00 0.53 -4.36 -1.04 -4.97 121.20 111.91 1vdm s ILE 51 Ca 0.21 1.19 -0.37 0.00 -0.26 0.00 0.00 60.65 61.42 1vdm s ILE 51 Cb -0.12 -3.62 -0.16 0.00 1.25 0.00 0.00 42.46 39.82 1vdm s ILE 51 CO 0.89 -0.29 1.46 -0.81 0.24 0.00 0.00 174.94 176.43 1vdm n PRO 52 N -0.60 1.23 -4.39 0.37 -0.04 -1.26 -4.78 135.00 125.53 1vdm n PRO 52 Ca 0.05 0.45 -0.35 0.00 -0.04 0.00 0.00 63.50 63.61 1vdm n PRO 52 Cb 0.54 -2.11 -0.10 0.00 -0.04 0.00 0.00 33.50 31.79 1vdm n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1vdm s LEU 53 N 1.33 3.50 -0.03 1.53 2.96 -1.26 -1.61 118.68 125.10 1vdm s LEU 53 Ca 0.88 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 1vdm s LEU 53 Cb -0.96 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 1vdm s LEU 53 CO 0.51 0.33 -0.15 -0.54 -1.32 0.00 0.00 176.35 175.18 1vdm s LYS 54 N -0.62 1.43 -0.12 1.98 1.02 -0.41 -4.98 119.74 118.05 1vdm s LYS 54 Ca 0.10 -0.55 -0.04 0.00 0.02 0.00 0.00 55.97 55.50 1vdm s LYS 54 Cb -0.12 -1.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.84 1vdm s LYS 54 CO 0.02 0.27 0.04 0.08 -0.92 0.00 0.00 175.35 174.84 1vdm s VAL 55 N -0.13 4.61 0.05 3.17 1.01 -1.26 -0.75 120.40 127.09 1vdm s VAL 55 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1vdm s VAL 55 Cb -0.09 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1vdm s VAL 55 CO 0.01 0.57 -0.12 -0.51 0.00 0.00 0.00 175.10 175.05 1vdm s ILE 56 N -0.58 0.94 -0.14 2.22 2.07 -0.83 -4.47 121.20 120.42 1vdm s ILE 56 Ca 0.10 -1.05 -0.04 0.00 -1.41 0.00 0.00 60.65 58.25 1vdm s ILE 56 Cb -0.12 -0.89 0.06 0.00 0.13 0.00 0.00 42.46 41.63 1vdm s ILE 56 CO 0.02 -0.14 0.11 -0.62 -1.91 0.00 0.00 174.94 172.40 1vdm s ASP 57 N -1.33 1.77 -0.06 4.50 3.68 -0.76 -1.42 116.67 123.05 1vdm s ASP 57 Ca -0.02 -0.30 -0.00 0.00 2.13 0.00 0.00 52.55 54.36 1vdm s ASP 57 Cb -0.08 -0.08 -0.03 0.00 -1.45 0.00 0.00 42.92 41.27 1vdm s ASP 57 CO 0.01 -0.31 -0.01 -0.69 0.13 0.00 0.00 175.17 174.30 1vdm s VAL 58 N 2.19 4.14 0.08 1.11 1.01 -1.26 0.43 120.40 128.10 1vdm s VAL 58 Ca 0.03 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1vdm s VAL 58 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1vdm s VAL 58 CO -0.08 0.54 -0.14 -0.75 0.00 0.00 0.00 175.10 174.68 1vdm s LYS 59 N -1.05 0.86 0.09 2.72 2.20 0.22 -4.91 119.74 119.86 1vdm s LYS 59 Ca 0.15 -1.03 0.05 0.00 -0.36 0.00 0.00 55.97 54.77 1vdm s LYS 59 Cb -0.11 -0.80 -0.03 0.00 -1.51 0.00 0.00 37.83 35.38 1vdm s LYS 59 CO 0.04 0.17 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.02 1vdm s PHE 60 N -1.60 1.16 0.00 4.03 0.40 -1.26 0.12 117.98 120.83 1vdm s PHE 60 Ca 0.01 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1vdm s PHE 60 Cb -0.08 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 42.81 1vdm s PHE 60 CO 0.02 0.05 0.00 0.66 0.70 0.00 0.00 175.22 176.65 1vdm n TYR 61 N 0.85 0.00 0.00 0.36 4.02 -1.23 -5.00 117.16 116.16 1vdm n TYR 61 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1vdm n TYR 61 Cb 0.56 0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 1vdm n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vdm n GLY 68 N 2.94 0.00 3.06 2.72 0.00 -1.26 -3.82 105.19 108.83 1vdm n GLY 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.13 0.01 1.61 2.12 -1.26 -5.09 118.70 118.23 1vdm s GLU 69 Ca 0.00 -2.27 -0.25 0.00 0.36 0.00 0.00 54.97 52.81 1vdm s GLU 69 Cb 0.00 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1vdm s GLU 69 CO 0.00 -1.10 0.77 0.15 -0.54 0.00 0.00 175.26 174.54 1vdm s LYS 70 N 0.34 4.49 -0.07 4.30 -0.14 -1.25 -5.05 119.74 122.36 1vdm s LYS 70 Ca 0.14 1.06 -0.30 0.00 -1.36 0.00 0.00 55.97 55.51 1vdm s LYS 70 Cb -0.22 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.52 1vdm s LYS 70 CO -0.04 0.19 1.01 -1.25 -0.76 0.00 0.00 175.35 174.51 1vdm s PRO 71 N 0.28 4.46 -0.32 -1.68 0.04 -1.26 -3.56 135.00 132.96 1vdm s PRO 71 Ca 0.40 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1vdm s PRO 71 Cb -0.20 -3.52 0.08 0.00 0.04 0.00 0.00 34.50 30.90 1vdm s PRO 71 CO 0.22 -0.24 0.01 0.08 0.04 0.00 0.00 177.00 177.11 1vdm s VAL 72 N 1.72 2.56 -0.80 -0.36 1.01 0.32 -4.92 120.40 119.93 1vdm s VAL 72 Ca 0.50 -1.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.36 1vdm s VAL 72 Cb -0.19 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1vdm s VAL 72 CO 0.21 -0.33 1.74 -0.63 0.00 0.00 0.00 175.10 176.10 1vdm s ILE 73 N 1.08 3.53 0.13 2.22 1.01 -1.26 -0.61 121.20 127.30 1vdm s ILE 73 Ca 0.01 -0.13 0.28 0.00 0.00 0.00 0.00 60.65 60.81 1vdm s ILE 73 Cb -0.20 -4.28 0.30 0.00 0.01 0.00 0.00 42.46 38.29 1vdm s ILE 73 CO -0.05 -1.22 1.90 0.74 0.00 0.00 0.00 174.94 176.31 1vdm h THR 74 N 6.89 0.33 -2.24 2.92 2.02 -0.38 -3.40 112.91 119.05 1vdm h THR 74 Ca -0.06 -0.84 -0.32 0.00 0.77 0.00 0.00 66.41 65.96 1vdm h THR 74 Cb 1.06 1.64 -0.34 0.00 -1.74 0.00 0.00 68.15 68.78 1vdm h THR 74 CO 1.26 0.12 -0.63 -0.63 0.37 0.00 0.00 175.52 176.01 1vdm s ILE 75 N -3.69 -0.39 0.95 3.11 1.01 -1.13 -4.91 121.20 116.17 1vdm s ILE 75 Ca 0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 1vdm s ILE 75 Cb 0.10 -0.91 0.18 0.00 0.01 0.00 0.00 42.46 41.83 1vdm s ILE 75 CO 0.60 -0.40 1.24 -2.16 0.00 0.00 0.00 174.94 174.21 1vdm s PRO 76 N 2.36 0.75 0.09 2.79 0.04 -1.26 -1.83 135.00 137.94 1vdm s PRO 76 Ca 0.09 -0.14 0.05 0.00 0.04 0.00 0.00 61.00 61.04 1vdm s PRO 76 Cb -0.14 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1vdm s PRO 76 CO -0.28 -2.38 -0.14 0.96 0.04 0.00 0.00 177.00 175.21 1vdm s ILE 77 N -3.61 1.19 0.13 0.56 -4.36 -1.26 -4.73 121.20 109.11 1vdm s ILE 77 Ca 0.69 -1.49 -0.04 0.00 -0.26 0.00 0.00 60.65 59.55 1vdm s ILE 77 Cb -0.08 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.32 1vdm s ILE 77 CO 0.53 -0.32 0.12 -1.00 0.24 0.00 0.00 174.94 174.50 1vdm s HIS 78 N -1.70 0.63 0.00 1.37 3.76 -1.26 -5.12 115.29 112.98 1vdm s HIS 78 Ca 0.03 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.91 1vdm s HIS 78 Cb -0.07 -0.32 0.00 0.00 1.11 0.00 0.00 32.58 33.30 1vdm s HIS 78 CO 0.02 -0.56 0.00 0.41 -0.85 0.00 0.00 174.74 173.76 1vdm n GLY 79 N -0.10 2.97 3.69 -2.22 0.00 -1.26 -5.01 105.19 103.26 1vdm n GLY 79 Ca -0.08 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 6.33 -0.50 1.61 3.84 -1.26 -4.83 116.67 121.86 1vdm s ASP 80 Ca 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 52.55 52.93 1vdm s ASP 80 Cb 0.00 -2.17 0.47 0.00 -1.38 0.00 0.00 42.92 39.84 1vdm s ASP 80 CO 0.00 0.04 1.93 0.18 -0.00 0.00 0.00 175.17 177.33 1vdm n LEU 81 N 4.04 6.89 -4.72 2.11 4.77 0.61 -4.94 117.00 125.76 1vdm n LEU 81 Ca -0.12 -3.72 -0.42 0.00 -0.03 0.00 0.00 56.01 51.72 1vdm n LEU 81 Cb 0.52 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1vdm n LEU 81 CO 0.38 1.22 0.87 -0.75 -1.33 0.00 0.00 177.39 177.79 1vdm s LYS 82 N -3.09 4.47 -1.79 3.23 2.47 -1.14 -2.67 119.74 121.21 1vdm s LYS 82 Ca 0.53 1.79 0.00 0.00 -1.56 0.00 0.00 55.97 56.73 1vdm s LYS 82 Cb 0.43 -3.31 0.00 0.00 -1.46 0.00 0.00 37.83 33.48 1vdm s LYS 82 CO 0.03 -0.18 0.00 -0.25 0.16 0.00 0.00 175.35 175.12 1vdm n ASP 83 N 3.42 -5.46 -4.07 1.43 10.43 -1.26 -4.90 116.55 116.15 1vdm n ASP 83 Ca 0.07 0.16 -0.27 0.00 2.57 0.00 0.00 54.79 57.32 1vdm n ASP 83 Cb 0.46 -4.55 -0.17 0.00 1.84 0.00 0.00 41.12 38.70 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 -4.48 2.09 -0.34 -1.24 1.02 -1.16 -4.94 119.74 110.70 1vdm s LYS 84 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.16 1vdm s LYS 84 Cb 0.00 -1.71 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 1vdm s LYS 84 CO 0.00 0.03 1.11 1.03 -0.92 0.00 0.00 175.35 176.59 1vdm s ARG 85 N 0.71 4.01 0.12 1.68 0.52 -1.26 -2.84 118.95 121.89 1vdm s ARG 85 Ca -0.13 1.03 0.03 0.00 -0.52 0.00 0.00 55.73 56.14 1vdm s ARG 85 Cb -0.16 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.50 1vdm s ARG 85 CO 0.03 -0.99 0.17 0.08 0.02 0.00 0.00 175.30 174.61 1vdm s VAL 86 N 3.83 4.87 -0.06 3.52 1.01 0.14 -0.75 120.40 132.97 1vdm s VAL 86 Ca 0.47 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1vdm s VAL 86 Cb -0.12 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1vdm s VAL 86 CO 0.18 0.01 -0.01 0.54 0.00 0.00 0.00 175.10 175.82 1vdm s VAL 87 N -1.60 0.36 -0.07 2.92 0.11 -1.06 -1.68 120.40 119.36 1vdm s VAL 87 Ca 0.32 0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 59.30 1vdm s VAL 87 Cb -0.11 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 1vdm s VAL 87 CO 0.25 0.23 0.39 -0.63 -3.33 0.00 0.00 175.10 172.01 1vdm s ILE 88 N 1.61 5.15 -0.10 7.04 1.01 -0.17 -1.16 121.20 134.58 1vdm s ILE 88 Ca -0.01 0.78 0.03 0.00 0.00 0.00 0.00 60.65 61.45 1vdm s ILE 88 Cb -0.13 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1vdm s ILE 88 CO -0.03 0.47 -0.21 -0.69 0.00 0.00 0.00 174.94 174.47 1vdm s VAL 89 N -0.27 1.85 0.26 2.92 1.01 -0.47 -0.43 120.40 125.27 1vdm s VAL 89 Ca 0.22 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1vdm s VAL 89 Cb -0.15 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1vdm s VAL 89 CO 0.10 0.51 0.13 -0.62 0.00 0.00 0.00 175.10 175.22 1vdm s ASP 90 N 0.48 1.10 -0.12 3.32 -1.08 -0.73 -2.00 116.67 117.64 1vdm s ASP 90 Ca -0.16 -1.45 -0.10 0.00 -0.52 0.00 0.00 52.55 50.32 1vdm s ASP 90 Cb -0.17 0.30 -0.08 0.00 -1.46 0.00 0.00 42.92 41.50 1vdm s ASP 90 CO 0.06 -0.82 0.22 -2.24 0.52 0.00 0.00 175.17 172.91 1vdm h ASP 91 N 2.37 0.00 -3.75 -0.34 3.04 -1.85 -3.13 116.42 112.76 1vdm h ASP 91 Ca -0.36 -0.30 -0.30 0.00 -3.24 0.00 0.00 57.03 52.83 1vdm h ASP 91 Cb 1.25 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 39.24 1vdm h ASP 91 CO 0.55 0.69 -0.74 0.54 -2.04 0.00 0.00 179.24 178.24 1vdm s VAL 92 N -1.81 0.22 -0.81 4.15 0.11 -1.26 -0.88 120.40 120.12 1vdm s VAL 92 Ca -0.07 -0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 58.76 1vdm s VAL 92 Cb -0.01 -0.22 0.21 0.00 -1.53 0.00 0.00 36.38 34.83 1vdm s VAL 92 CO 0.23 0.09 0.77 -0.55 -3.33 0.00 0.00 175.10 172.31 1vdm s SER 93 N 0.19 6.71 0.00 3.54 0.15 -0.87 -4.94 113.70 118.49 1vdm s SER 93 Ca -0.02 -2.58 0.00 0.00 0.70 0.00 0.00 55.95 54.05 1vdm s SER 93 Cb -0.04 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1vdm s SER 93 CO -0.00 -0.63 0.00 -0.67 1.20 0.00 0.00 173.24 173.14 1vdm n ASP 94 N 4.24 0.00 0.05 5.45 4.64 -1.26 -1.68 116.55 127.99 1vdm n ASP 94 Ca 0.12 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.44 1vdm n ASP 94 Cb 0.47 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 40.42 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 1.43 0.00 5.18 1.35 -1.92 -2.80 112.91 116.15 1vdm h THR 95 Ca 0.00 -3.15 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 1vdm h THR 95 Cb 0.00 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1vdm h THR 95 CO 0.00 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 1vdm n GLY 96 N 1.46 0.29 0.32 5.82 0.00 -1.26 0.13 105.19 111.94 1vdm n GLY 96 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 3.90 -0.35 -0.46 1.61 3.64 -1.98 -1.17 116.57 121.76 1vdm h LYS 97 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1vdm h LYS 97 Cb 0.00 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1vdm h LYS 97 CO 0.00 -0.23 0.23 1.15 -2.27 0.00 0.00 179.45 178.32 1vdm h THR 98 N -0.36 1.18 0.00 1.00 2.02 -1.98 -2.78 112.91 111.98 1vdm h THR 98 Ca 0.03 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1vdm h THR 98 Cb 0.45 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1vdm h THR 98 CO -0.33 0.20 -0.03 -0.07 0.37 0.00 0.00 175.52 175.66 1vdm h LEU 99 N 0.60 0.00 -0.15 2.58 3.38 -1.93 -1.32 115.31 118.47 1vdm h LEU 99 Ca 0.16 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1vdm h LEU 99 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1vdm h LEU 99 CO -0.02 0.03 -0.54 -0.33 0.09 0.00 0.00 178.44 177.66 1vdm h GLU 100 N 0.00 0.64 0.36 1.13 5.08 -0.93 -1.64 114.58 119.21 1vdm h GLU 100 Ca -0.00 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1vdm h GLU 100 Cb 0.08 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1vdm h GLU 100 CO 0.00 1.10 -0.18 0.28 -1.00 0.00 0.00 179.01 179.21 1vdm h VAL 101 N 0.30 0.62 -0.92 3.13 2.07 -1.28 -2.14 116.25 118.04 1vdm h VAL 101 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1vdm h VAL 101 Cb 1.17 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.49 1vdm h VAL 101 CO 0.11 0.00 0.56 0.58 0.02 0.00 0.00 177.57 178.85 1vdm h VAL 102 N -0.50 0.95 -0.30 2.57 2.07 -1.29 0.76 116.25 120.51 1vdm h VAL 102 Ca -0.05 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1vdm h VAL 102 Cb 0.39 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1vdm h VAL 102 CO 0.07 0.17 0.02 0.40 0.02 0.00 0.00 177.57 178.25 1vdm h ILE 103 N 0.94 1.17 0.26 4.57 2.04 -1.09 -1.99 117.51 123.41 1vdm h ILE 103 Ca 0.44 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1vdm h ILE 103 Cb 0.36 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1vdm h ILE 103 CO -0.23 0.23 -0.12 -0.08 0.00 0.00 0.00 178.15 177.94 1vdm h GLU 104 N 0.44 -0.33 -0.28 2.37 4.22 -0.20 -2.08 114.58 118.72 1vdm h GLU 104 Ca 0.10 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.62 1vdm h GLU 104 Cb 0.27 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1vdm h GLU 104 CO 0.01 -0.16 0.19 0.93 -2.18 0.00 0.00 179.01 177.80 1vdm h GLU 105 N -0.43 0.09 0.01 1.92 4.39 -0.91 -2.05 114.58 117.60 1vdm h GLU 105 Ca -0.04 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.44 1vdm h GLU 105 Cb 0.33 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1vdm h GLU 105 CO 0.06 0.06 -1.02 0.28 -1.16 0.00 0.00 179.01 177.23 1vdm h VAL 106 N 0.09 1.70 -0.17 3.13 2.07 -1.14 -3.28 116.25 118.65 1vdm h VAL 106 Ca 0.13 -3.39 -0.20 0.00 0.82 0.00 0.00 66.70 64.06 1vdm h VAL 106 Cb 0.39 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1vdm h VAL 106 CO -0.01 0.97 -0.69 0.11 0.02 0.00 0.00 177.57 177.97 1vdm h LYS 107 N 0.01 0.71 0.00 1.57 1.57 -0.72 -2.84 116.57 116.87 1vdm h LYS 107 Ca -0.02 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1vdm h LYS 107 Cb 1.78 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1vdm h LYS 107 CO 0.14 1.15 0.02 1.63 -0.57 0.00 0.00 179.45 181.81 1vdm n LYS 108 N -3.93 0.13 -0.48 3.15 5.02 -0.85 0.24 118.16 121.44 1vdm n LYS 108 Ca -0.06 0.63 0.08 0.00 -2.02 0.00 0.00 58.31 56.94 1vdm n LYS 108 Cb 0.69 -1.94 0.28 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 -0.52 0.00 0.00 177.40 178.16 1vdm n LEU 109 N -2.20 4.13 -3.50 -0.35 4.77 -1.09 -4.98 117.00 113.79 1vdm n LEU 109 Ca -0.01 -2.56 -0.19 0.00 -0.03 0.00 0.00 56.01 53.21 1vdm n LEU 109 Cb 0.05 -0.49 0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1vdm n LEU 109 CO 0.09 0.74 0.13 0.61 -1.33 0.00 0.00 177.39 177.63 1vdm n GLY 110 N 0.42 -0.40 3.70 -0.72 0.00 0.14 -0.28 105.19 108.04 1vdm n GLY 110 Ca 0.21 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.37 3.72 0.05 4.61 0.00 -1.12 -2.88 121.76 122.76 1vdm s ALA 111 Ca 0.16 1.26 -0.32 0.00 0.00 0.00 0.00 51.96 53.06 1vdm s ALA 111 Cb -0.07 -3.64 -0.18 0.00 0.00 0.00 0.00 23.12 19.23 1vdm s ALA 111 CO 0.74 -0.91 1.44 -0.22 0.00 0.00 0.00 175.76 176.81 1vdm h LYS 112 N 7.48 -1.11 -4.85 0.00 3.64 -1.35 -3.45 116.57 116.93 1vdm h LYS 112 Ca -0.42 0.08 -0.39 0.00 -1.27 0.00 0.00 60.65 58.65 1vdm h LYS 112 Cb 1.20 0.25 -0.26 0.00 -0.41 0.00 0.00 32.23 33.01 1vdm h LYS 112 CO 0.92 -0.74 -0.77 -2.00 -2.27 0.00 0.00 179.45 174.58 1vdm s GLU 113 N -5.45 0.74 -0.10 1.90 2.12 -1.24 -5.01 118.70 111.65 1vdm s GLU 113 Ca -0.17 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 54.66 1vdm s GLU 113 Cb 0.02 -0.69 0.02 0.00 0.26 0.00 0.00 34.13 33.73 1vdm s GLU 113 CO 0.51 0.18 -0.11 0.42 -0.54 0.00 0.00 175.26 175.71 1vdm s ILE 114 N -0.57 1.20 0.08 -3.70 1.01 -1.26 -0.68 121.20 117.28 1vdm s ILE 114 Ca 0.01 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.31 1vdm s ILE 114 Cb -0.06 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1vdm s ILE 114 CO 0.00 0.39 -0.24 -0.75 0.00 0.00 0.00 174.94 174.34 1vdm s LYS 115 N 1.24 1.42 -0.06 2.79 2.47 -0.68 -5.02 119.74 121.90 1vdm s LYS 115 Ca -0.03 -1.16 0.05 0.00 -1.56 0.00 0.00 55.97 53.27 1vdm s LYS 115 Cb -0.14 -1.70 -0.02 0.00 -1.46 0.00 0.00 37.83 34.51 1vdm s LYS 115 CO -0.04 0.42 -0.21 0.42 0.16 0.00 0.00 175.35 176.10 1vdm s ILE 116 N -0.97 2.43 -0.07 5.43 1.01 -1.26 -1.00 121.20 126.77 1vdm s ILE 116 Ca 0.10 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1vdm s ILE 116 Cb -0.10 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.48 1vdm s ILE 116 CO 0.04 0.57 -0.02 0.00 0.00 0.00 0.00 174.94 175.53 1vdm s ALA 117 N -0.26 0.76 0.18 9.38 0.00 0.42 -0.53 121.76 131.72 1vdm s ALA 117 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1vdm s ALA 117 Cb -0.13 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1vdm s ALA 117 CO 0.03 -0.33 -0.10 0.00 0.00 0.00 0.00 175.76 175.36 1vdm h LEU 119 N 2.64 0.12 -9.35 0.00 3.38 -0.95 -3.31 115.31 107.83 1vdm h LEU 119 Ca -0.37 -0.75 -0.52 0.00 0.09 0.00 0.00 57.88 56.32 1vdm h LEU 119 Cb 1.21 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 1vdm h LEU 119 CO 0.63 0.86 -0.54 0.00 0.09 0.00 0.00 178.44 179.48 1vdm s ALA 120 N -3.20 2.71 0.19 1.53 0.00 -0.14 -0.99 121.76 121.86 1vdm s ALA 120 Ca -0.17 -1.45 -0.23 0.00 0.00 0.00 0.00 51.96 50.12 1vdm s ALA 120 Cb 0.00 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.95 1vdm s ALA 120 CO 0.71 -0.35 0.67 0.00 0.00 0.00 0.00 175.76 176.79 1vdm s MET 121 N -3.77 1.41 0.09 0.00 0.23 -0.93 -2.04 119.30 114.30 1vdm s MET 121 Ca 0.27 -0.63 0.10 0.00 -1.03 0.00 0.00 55.69 54.40 1vdm s MET 121 Cb 0.04 0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 33.88 1vdm s MET 121 CO 0.15 -0.63 -0.26 0.15 -2.03 0.00 0.00 175.02 172.39 1vdm s LYS 122 N -3.75 1.58 0.32 3.16 1.02 -0.67 -2.92 119.74 118.47 1vdm s LYS 122 Ca 0.05 -1.22 0.08 0.00 0.02 0.00 0.00 55.97 54.90 1vdm s LYS 122 Cb -0.03 -1.92 0.90 0.00 -0.52 0.00 0.00 37.83 36.27 1vdm s LYS 122 CO -0.06 0.48 1.65 -1.35 -0.92 0.00 0.00 175.35 175.14 1vdm h PRO 123 N 4.34 0.23 -0.02 -1.68 0.11 -1.89 -2.14 132.00 130.95 1vdm h PRO 123 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vdm h PRO 123 Cb 1.16 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1vdm h PRO 123 CO 0.41 0.15 0.00 -2.67 -0.21 0.00 0.00 178.00 175.69 1vdm n TRP 124 N -5.17 0.01 -1.67 0.65 2.14 -1.26 -4.96 117.44 107.19 1vdm n TRP 124 Ca 0.27 -0.01 -0.41 0.00 2.07 0.00 0.00 57.50 59.42 1vdm n TRP 124 Cb 0.84 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 31.36 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 -0.39 2.58 0.75 -1.67 5.66 -0.81 -4.87 114.28 115.54 1vdm n THR 125 Ca 0.21 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.84 1vdm n THR 125 Cb 0.23 -1.40 0.38 0.00 -1.55 0.00 0.00 70.33 67.99 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 0.27 0.55 -3.86 1.09 3.41 0.12 -4.60 113.62 110.59 1vdm n SER 126 Ca 0.08 0.33 -0.30 0.00 -0.26 0.00 0.00 58.87 58.73 1vdm n SER 126 Cb 0.40 -0.34 -0.16 0.00 -0.26 0.00 0.00 64.21 63.85 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 -3.08 1.20 -0.31 -3.33 1.01 -1.26 -4.99 120.40 109.64 1vdm s VAL 127 Ca 0.10 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 1vdm s VAL 127 Cb 0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1vdm s VAL 127 CO 0.63 -0.24 0.62 -0.69 0.00 0.00 0.00 175.10 175.42 1vdm s VAL 128 N 1.53 4.94 0.49 2.92 1.01 -1.26 -4.84 120.40 125.18 1vdm s VAL 128 Ca -0.01 0.80 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 1vdm s VAL 128 Cb -0.18 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 1vdm s VAL 128 CO -0.09 -0.15 0.63 -2.65 0.00 0.00 0.00 175.10 172.83 1vdm n PRO 129 N 5.88 0.69 0.19 2.72 -0.02 -1.26 -4.87 135.00 138.32 1vdm n PRO 129 Ca -0.01 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1vdm n PRO 129 Cb 0.49 -1.70 0.31 0.00 -0.02 0.00 0.00 33.50 32.57 1vdm n PRO 129 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1vdm h ASP 130 N 0.69 0.00 -2.69 2.55 5.19 -1.20 -3.43 116.42 117.54 1vdm h ASP 130 Ca -0.43 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.88 1vdm h ASP 130 Cb 1.39 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.63 1vdm h ASP 130 CO 0.51 0.00 -0.34 -0.31 -3.12 0.00 0.00 179.24 175.98 1vdm s TYR 131 N -3.22 -0.77 0.27 4.55 1.51 -0.90 -4.98 117.35 113.81 1vdm s TYR 131 Ca 0.07 1.50 -0.08 0.00 -1.01 0.00 0.00 57.07 57.56 1vdm s TYR 131 Cb 0.08 0.32 -0.01 0.00 -0.11 0.00 0.00 41.96 42.24 1vdm s TYR 131 CO 0.62 -0.45 0.43 1.52 -1.11 0.00 0.00 175.55 176.56 1vdm s TYR 132 N 2.30 0.69 0.00 2.71 -0.85 -1.25 -1.19 117.35 119.76 1vdm s TYR 132 Ca -0.04 -1.00 0.00 0.00 -0.52 0.00 0.00 57.07 55.51 1vdm s TYR 132 Cb -0.11 0.00 0.00 0.00 0.38 0.00 0.00 41.96 42.23 1vdm s TYR 132 CO -0.13 -0.99 0.00 0.28 -1.52 0.00 0.00 175.55 173.19 1vdm n VAL 133 N -0.42 0.00 -3.97 -3.49 0.31 -0.16 -5.02 118.33 105.59 1vdm n VAL 133 Ca -0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.02 1vdm n VAL 133 Cb 0.62 -1.34 -0.05 0.00 -0.91 0.00 0.00 33.84 32.17 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 -1.99 3.40 -0.03 3.52 0.40 -0.35 -5.01 117.98 117.92 1vdm s PHE 134 Ca 0.00 0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1vdm s PHE 134 Cb 0.00 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1vdm s PHE 134 CO 0.00 0.56 -0.09 0.50 0.70 0.00 0.00 175.22 176.89 1vdm s ARG 135 N -2.52 0.98 0.07 0.44 3.52 -1.26 -2.19 118.95 118.00 1vdm s ARG 135 Ca 0.33 -0.32 -0.27 0.00 -0.13 0.00 0.00 55.73 55.34 1vdm s ARG 135 Cb -0.13 -0.91 0.08 0.00 -1.56 0.00 0.00 34.95 32.44 1vdm s ARG 135 CO 0.26 0.12 0.95 -0.08 -0.81 0.00 0.00 175.30 175.74 1vdm s THR 136 N 0.16 0.00 -0.24 4.11 -1.32 -1.15 -5.00 115.64 112.20 1vdm s THR 136 Ca -0.03 -0.35 0.02 0.00 -1.21 0.00 0.00 61.69 60.13 1vdm s THR 136 Cb -0.08 -1.56 0.01 0.00 -1.51 0.00 0.00 72.50 69.36 1vdm s THR 136 CO 0.00 0.00 0.45 -0.62 -2.21 0.00 0.00 174.62 172.25 1vdm n GLU 137 N -0.37 1.09 -2.78 7.08 1.02 -1.26 -4.14 120.64 121.29 1vdm n GLU 137 Ca -0.07 -0.48 -0.24 0.00 -0.02 0.00 0.00 57.16 56.35 1vdm n GLU 137 Cb 0.61 -0.93 0.02 0.00 -0.02 0.00 0.00 31.44 31.12 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 -0.45 2.97 -0.13 3.49 1.02 -1.26 -5.04 119.74 120.34 1vdm s LYS 138 Ca 0.02 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 1vdm s LYS 138 Cb 0.02 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1vdm s LYS 138 CO 0.04 -0.44 1.07 -0.46 -0.92 0.00 0.00 175.35 174.65 1vdm s TRP 139 N -2.70 3.35 -0.14 3.18 -0.11 -1.26 -4.84 118.94 116.42 1vdm s TRP 139 Ca 0.51 1.44 -0.24 0.00 1.22 0.00 0.00 56.10 59.04 1vdm s TRP 139 Cb -0.10 -3.28 -0.03 0.00 -1.50 0.00 0.00 33.47 28.56 1vdm s TRP 139 CO 0.40 -0.61 0.74 0.42 -4.62 0.00 0.00 176.95 173.27 1vdm s ILE 140 N 2.48 4.98 -0.39 5.86 1.01 -1.26 -1.41 121.20 132.47 1vdm s ILE 140 Ca 0.49 1.46 -0.12 0.00 0.00 0.00 0.00 60.65 62.48 1vdm s ILE 140 Cb -0.19 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.26 1vdm s ILE 140 CO 0.15 0.13 0.24 -0.69 0.00 0.00 0.00 174.94 174.77 1vdm s VAL 141 N 1.58 4.71 0.64 2.92 1.01 0.20 -4.93 120.40 126.53 1vdm s VAL 141 Ca 0.36 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1vdm s VAL 141 Cb -0.17 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1vdm s VAL 141 CO 0.14 -0.29 1.04 -0.36 0.00 0.00 0.00 175.10 175.64 1vdm s PHE 142 N 1.57 3.33 0.50 5.22 0.40 -1.26 -2.12 117.98 125.61 1vdm s PHE 142 Ca 0.03 1.38 0.25 0.00 -0.60 0.00 0.00 56.93 57.99 1vdm s PHE 142 Cb -0.20 -2.82 1.33 0.00 0.51 0.00 0.00 43.02 41.84 1vdm s PHE 142 CO 0.07 -0.93 1.90 -1.35 0.70 0.00 0.00 175.22 175.61 1vdm h PRO 143 N -0.30 0.14 -0.24 0.24 0.11 -1.87 -1.77 132.00 128.32 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 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1vdm h PRO 143 CO 0.59 0.09 0.00 -2.67 -0.21 0.00 0.00 178.00 175.80 1vdm n TRP 144 N -4.37 0.30 -3.99 0.65 2.14 -1.26 -4.95 117.44 105.96 1vdm n TRP 144 Ca 0.17 -0.15 -0.26 0.00 2.07 0.00 0.00 57.50 59.32 1vdm n TRP 144 Cb 0.79 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 31.25 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 -1.70 3.26 0.65 -2.67 2.02 -0.67 -5.12 118.70 114.48 1vdm s GLU 145 Ca 0.34 -0.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 1vdm s GLU 145 Cb 0.19 -2.86 0.07 0.00 0.10 0.00 0.00 34.13 31.62 1vdm s GLU 145 CO 0.28 0.51 0.91 -1.21 0.02 0.00 0.00 175.26 175.77 1vdm s GLU 146 N -3.16 2.18 0.08 1.61 8.01 -1.26 -4.89 118.70 121.26 1vdm s GLU 146 Ca 0.33 -0.70 0.06 0.00 0.01 0.00 0.00 54.97 54.67 1vdm s GLU 146 Cb -0.11 -2.34 -0.04 0.00 -4.31 0.00 0.00 34.13 27.33 1vdm s GLU 146 CO 0.27 -1.09 -0.08 -0.06 0.01 0.00 0.00 175.26 174.30 1vdm s PHE 147 N -3.02 2.80 0.36 1.61 0.08 -1.26 -5.05 117.98 113.49 1vdm s PHE 147 Ca 0.61 -0.12 -0.19 0.00 0.12 0.00 0.00 56.93 57.35 1vdm s PHE 147 Cb -0.09 -1.49 -0.10 0.00 -0.57 0.00 0.00 43.02 40.77 1vdm s PHE 147 CO 0.42 0.41 0.85 -2.14 -0.10 0.00 0.00 175.22 174.66 1vdm s PRO 148 N -2.01 4.19 0.02 0.24 0.02 -1.26 -5.06 135.00 131.14 1vdm s PRO 148 Ca 0.21 0.95 0.01 0.00 0.02 0.00 0.00 61.00 62.19 1vdm s PRO 148 Cb -0.11 -2.40 -0.04 0.00 0.02 0.00 0.00 34.50 31.97 1vdm s PRO 148 CO 0.13 0.11 0.07 0.08 -0.33 0.00 0.00 177.00 177.06 1vdm s VAL 149 N -1.99 4.63 -0.19 3.83 1.01 -1.26 -5.09 120.40 121.34 1vdm s VAL 149 Ca 0.56 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1vdm s VAL 149 Cb -0.11 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1vdm s VAL 149 CO 0.16 0.28 0.04 -0.63 0.00 0.00 0.00 175.10 174.96 1vdm s ILE 150 N -1.24 4.48 0.39 2.22 -1.09 -1.26 -5.09 121.20 119.61 1vdm s ILE 150 Ca 0.25 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1vdm s ILE 150 Cb -0.12 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1vdm s ILE 150 CO 0.16 0.44 0.04 -0.62 -1.23 0.00 0.00 174.94 173.73 1vdm n GLU 151 N 3.89 1.03 0.00 2.79 1.02 -1.26 -5.36 120.64 122.75 1vdm n GLU 151 Ca -0.17 -2.81 0.12 0.00 -0.02 0.00 0.00 57.16 54.28 1vdm n GLU 151 Cb 0.52 0.70 0.18 0.00 -0.02 0.00 0.00 31.44 32.82 1vdm n GLU 151 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94