#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 0.88 -4.97 7.83 5.68 -1.26 -4.94 116.55 119.77 1vdm n ASP 2 Ca 0.00 -0.82 -0.21 0.00 -0.50 0.00 0.00 54.79 53.26 1vdm n ASP 2 Cb 0.00 0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.06 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 -2.47 2.96 -0.20 0.11 1.02 -1.26 -4.50 119.74 115.39 1vdm s LYS 3 Ca 0.26 -0.78 -0.05 0.00 0.02 0.00 0.00 55.97 55.41 1vdm s LYS 3 Cb 0.20 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1vdm s LYS 3 CO 0.50 -0.25 0.01 0.08 -0.92 0.00 0.00 175.35 174.76 1vdm s VAL 4 N -2.45 3.99 -0.32 3.17 1.01 -0.47 -4.99 120.40 120.34 1vdm s VAL 4 Ca 0.50 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 1vdm s VAL 4 Cb -0.10 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1vdm s VAL 4 CO 0.35 0.42 0.14 -0.31 0.00 0.00 0.00 175.10 175.71 1vdm s TYR 5 N 1.03 3.18 -0.06 5.22 1.51 -1.26 0.51 117.35 127.48 1vdm s TYR 5 Ca 0.02 -0.72 -0.15 0.00 -1.01 0.00 0.00 57.07 55.21 1vdm s TYR 5 Cb -0.14 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.31 1vdm s TYR 5 CO 0.02 -0.51 0.39 -1.17 -1.11 0.00 0.00 175.55 173.17 1vdm s LEU 6 N 1.58 4.38 0.45 -1.29 2.96 -0.42 -4.98 118.68 121.36 1vdm s LEU 6 Ca 0.04 0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 54.75 1vdm s LEU 6 Cb -0.17 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 1vdm s LEU 6 CO 0.05 0.21 0.70 0.42 -1.32 0.00 0.00 176.35 176.42 1vdm s THR 7 N -0.39 4.47 0.38 3.68 -4.23 -1.26 -2.82 115.64 115.46 1vdm s THR 7 Ca 0.23 -0.25 0.06 0.00 -1.18 0.00 0.00 61.69 60.55 1vdm s THR 7 Cb -0.15 -3.67 0.22 0.00 1.34 0.00 0.00 72.50 70.23 1vdm s THR 7 CO 0.10 -0.54 1.98 -0.50 -0.54 0.00 0.00 174.62 175.12 1vdm h TRP 8 N 0.37 0.50 0.00 3.99 4.06 -1.98 -1.11 115.95 121.77 1vdm h TRP 8 Ca -0.47 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.39 1vdm h TRP 8 Cb 1.23 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1vdm h TRP 8 CO 0.50 0.40 -0.36 2.35 -3.56 0.00 0.00 178.44 177.78 1vdm h TRP 9 N 0.50 0.00 -0.05 0.49 -0.00 -1.98 0.85 115.95 115.75 1vdm h TRP 9 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.88 1vdm h TRP 9 Cb 0.12 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.29 1vdm h TRP 9 CO 0.00 0.36 -0.48 1.96 -0.00 0.00 0.00 178.44 180.29 1vdm h GLN 10 N 0.00 0.41 -0.75 2.65 4.20 -1.68 -1.33 115.11 118.61 1vdm h GLN 10 Ca -0.00 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.29 1vdm h GLN 10 Cb 0.74 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1vdm h GLN 10 CO 0.05 1.03 0.32 0.28 -0.67 0.00 0.00 178.83 179.83 1vdm h VAL 11 N -0.08 1.25 -0.19 -0.54 2.07 -0.97 0.60 116.25 118.38 1vdm h VAL 11 Ca -0.05 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1vdm h VAL 11 Cb 1.15 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1vdm h VAL 11 CO 0.10 0.31 -0.10 0.44 0.02 0.00 0.00 177.57 178.34 1vdm h ASP 12 N 1.08 0.42 -0.09 0.57 3.32 -0.85 -1.40 116.42 119.47 1vdm h ASP 12 Ca 0.25 -0.42 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1vdm h ASP 12 Cb 0.18 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1vdm h ASP 12 CO -0.02 0.74 -0.19 0.03 -1.72 0.00 0.00 179.24 178.08 1vdm h ARG 13 N 0.10 0.49 -0.41 3.56 3.08 -1.09 -0.82 114.38 119.28 1vdm h ARG 13 Ca 0.04 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1vdm h ARG 13 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1vdm h ARG 13 CO 0.03 0.66 -0.11 0.00 -1.07 0.00 0.00 179.97 179.48 1vdm h ALA 14 N 1.36 0.57 -0.44 0.04 0.00 -0.81 -2.30 119.26 117.68 1vdm h ALA 14 Ca 0.07 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1vdm h ALA 14 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1vdm h ALA 14 CO 0.04 0.46 -0.02 0.82 0.00 0.00 0.00 179.25 180.54 1vdm h ILE 15 N 0.62 1.24 -0.08 0.00 2.04 -0.93 -1.09 117.51 119.31 1vdm h ILE 15 Ca 0.10 -0.99 -0.11 0.00 1.00 0.00 0.00 64.86 64.86 1vdm h ILE 15 Cb 0.64 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1vdm h ILE 15 CO 0.04 0.34 -0.47 -0.26 0.00 0.00 0.00 178.15 177.81 1vdm h PHE 16 N 0.68 0.23 -0.15 1.37 0.04 -1.02 -1.32 116.94 116.77 1vdm h PHE 16 Ca 0.13 -0.07 -0.13 0.00 2.80 0.00 0.00 57.97 60.70 1vdm h PHE 16 Cb 0.45 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1vdm h PHE 16 CO 0.02 0.62 -0.43 0.00 -0.60 0.00 0.00 178.31 177.93 1vdm h ALA 17 N 1.37 0.25 -0.31 2.45 0.00 -1.06 -2.73 119.26 119.23 1vdm h ALA 17 Ca 0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1vdm h ALA 17 Cb 0.89 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1vdm h ALA 17 CO 0.07 0.37 0.18 -0.07 0.00 0.00 0.00 179.25 179.81 1vdm h LEU 18 N 0.18 0.37 -1.49 0.00 3.38 -1.09 -2.56 115.31 114.09 1vdm h LEU 18 Ca -0.01 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1vdm h LEU 18 Cb 1.04 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1vdm h LEU 18 CO 0.09 0.32 0.38 0.00 0.09 0.00 0.00 178.44 179.32 1vdm h ALA 19 N 1.07 1.73 0.00 1.53 0.00 -1.25 0.36 119.26 122.70 1vdm h ALA 19 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1vdm h ALA 19 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1vdm h ALA 19 CO -0.02 0.20 -0.30 1.49 0.00 0.00 0.00 179.25 180.63 1vdm h GLU 20 N 0.65 0.00 0.15 0.00 4.57 -1.13 -2.06 114.58 116.76 1vdm h GLU 20 Ca 0.24 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.10 1vdm h GLU 20 Cb 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1vdm h GLU 20 CO -0.06 0.30 -1.58 0.87 -1.18 0.00 0.00 179.01 177.35 1vdm h LYS 21 N 0.00 0.32 0.00 1.92 1.79 -1.02 -3.31 116.57 116.27 1vdm h LYS 21 Ca -0.00 -0.54 -0.01 0.00 -2.18 0.00 0.00 60.65 57.92 1vdm h LYS 21 Cb 0.70 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1vdm h LYS 21 CO 0.04 1.20 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.51 1vdm h LEU 22 N 0.09 0.00 -1.12 2.94 3.38 -0.70 -2.50 115.31 117.40 1vdm h LEU 22 Ca -0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1vdm h LEU 22 Cb 2.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 1vdm h LEU 22 CO 0.18 0.03 -0.10 0.03 0.09 0.00 0.00 178.44 178.67 1vdm h ARG 23 N 0.00 0.50 0.00 1.13 3.08 -1.46 -0.78 114.38 116.84 1vdm h ARG 23 Ca -0.00 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 1vdm h ARG 23 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1vdm h ARG 23 CO 0.00 0.60 -0.22 0.93 -1.07 0.00 0.00 179.97 180.22 1vdm h GLU 24 N 0.46 0.00 0.00 0.04 5.08 -1.63 -2.49 114.58 116.04 1vdm h GLU 24 Ca 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1vdm h GLU 24 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1vdm h GLU 24 CO 0.03 0.22 -0.91 -0.92 -1.00 0.00 0.00 179.01 176.42 1vdm h TYR 25 N 0.00 0.00 -6.26 4.33 3.20 -1.41 -3.49 116.97 113.34 1vdm h TYR 25 Ca -0.00 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.55 1vdm h TYR 25 Cb 0.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1vdm h TYR 25 CO 0.00 0.21 -0.79 1.63 -1.64 0.00 0.00 178.16 177.57 1vdm n LYS 26 N -2.86 -1.62 -1.27 1.82 5.02 -0.38 -4.94 118.16 113.93 1vdm n LYS 26 Ca -0.02 1.16 -0.33 0.00 -2.02 0.00 0.00 58.31 57.11 1vdm n LYS 26 Cb 0.65 -3.39 0.10 0.00 -0.02 0.00 0.00 35.03 32.37 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 -3.88 1.99 -0.06 1.97 0.02 -1.26 -4.84 135.00 128.95 1vdm s PRO 27 Ca 0.08 1.52 0.06 0.00 0.02 0.00 0.00 61.00 62.69 1vdm s PRO 27 Cb -0.01 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.58 1vdm s PRO 27 CO 0.85 -1.90 0.05 -0.25 -0.33 0.00 0.00 177.00 175.42 1vdm n ASP 28 N -3.22 3.30 -3.75 2.53 10.43 -0.29 -4.97 116.55 120.58 1vdm n ASP 28 Ca 0.12 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.34 1vdm n ASP 28 Cb 0.52 0.81 -0.09 0.00 1.84 0.00 0.00 41.12 44.19 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 -2.24 0.03 -0.05 2.53 0.11 -1.23 -4.27 120.40 115.27 1vdm s VAL 29 Ca -0.03 -0.23 0.03 0.00 -2.93 0.00 0.00 61.98 58.82 1vdm s VAL 29 Cb 0.03 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1vdm s VAL 29 CO 0.29 -0.13 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.16 1vdm s ILE 30 N -0.60 3.09 -0.27 7.04 1.01 -0.82 -2.26 121.20 128.38 1vdm s ILE 30 Ca -0.07 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1vdm s ILE 30 Cb -0.04 -2.22 0.07 0.00 0.01 0.00 0.00 42.46 40.28 1vdm s ILE 30 CO 0.03 0.59 -0.08 -0.63 0.00 0.00 0.00 174.94 174.85 1vdm s ILE 31 N -0.69 2.16 -0.15 2.92 1.01 0.40 -1.32 121.20 125.53 1vdm s ILE 31 Ca 0.10 -1.75 -0.18 0.00 0.00 0.00 0.00 60.65 58.82 1vdm s ILE 31 Cb -0.11 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1vdm s ILE 31 CO 0.01 -0.14 0.49 -0.83 0.00 0.00 0.00 174.94 174.46 1vdm s GLY 32 N 1.08 2.28 -0.45 6.18 0.00 -0.72 -0.53 107.32 115.15 1vdm s GLY 32 Ca -0.05 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.17 1vdm s GLY 32 CO -0.06 0.88 0.80 0.14 0.00 0.00 0.00 173.10 174.86 1vdm s VAL 33 N 0.98 4.62 0.61 1.40 1.01 -0.78 -1.85 120.40 126.40 1vdm s VAL 33 Ca 0.25 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.50 1vdm s VAL 33 Cb -0.15 -4.34 -0.06 0.00 0.00 0.00 0.00 36.38 31.82 1vdm s VAL 33 CO 0.10 -0.74 0.65 0.00 0.00 0.00 0.00 175.10 175.11 1vdm n ALA 34 N 6.78 -0.85 -0.10 5.51 0.00 -0.30 -1.79 120.51 129.76 1vdm n ALA 34 Ca 0.03 -0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1vdm n ALA 34 Cb 0.48 -1.91 -0.09 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.50 0.49 0.28 0.00 3.00 -1.26 -4.63 116.66 114.03 1vdm n ARG 35 Ca 0.12 0.14 0.17 0.00 -0.01 0.00 0.00 57.85 58.27 1vdm n ARG 35 Cb 0.48 -1.36 0.94 0.00 0.00 0.00 0.00 32.46 32.51 1vdm n ARG 35 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1vdm h GLY 36 N 0.91 0.00 1.99 -0.13 0.00 -2.01 -1.47 103.07 102.36 1vdm h GLY 36 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1vdm h GLY 36 CO -0.14 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 174.95 1vdm h GLY 37 N 0.00 0.01 2.00 4.60 0.00 -1.61 -2.68 103.07 105.38 1vdm h GLY 37 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1vdm h GLY 37 CO -0.00 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.92 1vdm h LEU 38 N 0.01 0.00 0.79 3.11 3.38 -1.37 -1.65 115.31 119.57 1vdm h LEU 38 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1vdm h LEU 38 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1vdm h LEU 38 CO 0.02 0.03 -0.38 0.40 0.09 0.00 0.00 178.44 178.60 1vdm h ILE 39 N 0.00 0.00 -0.14 1.22 1.08 -1.66 -0.15 117.51 117.86 1vdm h ILE 39 Ca -0.00 -0.04 -0.07 0.00 -0.39 0.00 0.00 64.86 64.36 1vdm h ILE 39 Cb 0.08 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.82 1vdm h ILE 39 CO 0.00 0.00 -0.21 -0.65 -0.69 0.00 0.00 178.15 176.60 1vdm h PRO 40 N -1.09 0.24 0.51 2.37 0.11 -1.71 -2.50 132.00 129.92 1vdm h PRO 40 Ca -0.11 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 1vdm h PRO 40 Cb 0.81 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1vdm h PRO 40 CO 0.18 0.46 -0.25 0.00 -0.21 0.00 0.00 178.00 178.17 1vdm h ALA 41 N 1.56 -0.70 -0.47 -0.75 0.00 -1.21 0.77 119.26 118.47 1vdm h ALA 41 Ca 0.04 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1vdm h ALA 41 Cb 0.51 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1vdm h ALA 41 CO 0.03 -0.89 0.21 0.28 0.00 0.00 0.00 179.25 178.89 1vdm h VAL 42 N -0.70 0.93 -0.39 0.00 2.07 -0.92 0.05 116.25 117.30 1vdm h VAL 42 Ca -0.07 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1vdm h VAL 42 Cb 0.54 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1vdm h VAL 42 CO 0.11 0.08 0.23 0.03 0.02 0.00 0.00 177.57 178.04 1vdm h ARG 43 N 0.43 0.52 -0.24 1.57 2.47 -1.28 -2.59 114.38 115.25 1vdm h ARG 43 Ca 0.21 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.79 1vdm h ARG 43 Cb 0.15 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1vdm h ARG 43 CO -0.17 0.39 -0.24 -0.07 0.56 0.00 0.00 179.97 180.44 1vdm h LEU 44 N 0.51 0.46 -0.11 3.04 3.38 -0.57 -1.39 115.31 120.61 1vdm h LEU 44 Ca 0.14 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1vdm h LEU 44 Cb -0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1vdm h LEU 44 CO -0.03 0.70 -0.25 -1.28 0.09 0.00 0.00 178.44 177.68 1vdm h SER 45 N 0.41 -0.76 0.12 -0.43 0.87 -0.64 -0.30 113.55 112.83 1vdm h SER 45 Ca 0.06 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1vdm h SER 45 Cb 0.64 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1vdm h SER 45 CO 0.05 -0.30 -0.06 0.45 -0.53 0.00 0.00 176.83 176.44 1vdm h HIS 46 N -0.32 -0.15 -0.77 2.24 3.86 -1.19 -1.01 115.15 117.80 1vdm h HIS 46 Ca 0.10 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.41 1vdm h HIS 46 Cb 0.46 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.93 1vdm h HIS 46 CO -0.34 0.09 0.50 0.82 0.86 0.00 0.00 177.93 179.87 1vdm h ILE 47 N -0.39 0.90 -0.73 2.45 2.04 -1.05 -2.79 117.51 117.94 1vdm h ILE 47 Ca -0.02 -0.21 -0.50 0.00 1.00 0.00 0.00 64.86 65.13 1vdm h ILE 47 Cb 0.32 0.22 -0.21 0.00 -0.74 0.00 0.00 36.82 36.41 1vdm h ILE 47 CO 0.03 0.11 0.64 0.18 0.00 0.00 0.00 178.15 179.11 1vdm n LEU 48 N -4.50 7.06 -1.72 1.44 4.77 -0.14 -4.82 117.00 119.09 1vdm n LEU 48 Ca 0.13 -3.77 -0.07 0.00 -0.03 0.00 0.00 56.01 52.26 1vdm n LEU 48 Cb 0.38 -1.02 0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1vdm n LEU 48 CO 0.32 1.34 0.07 0.61 -1.33 0.00 0.00 177.39 178.40 1vdm n GLY 49 N -0.28 0.30 4.12 -0.72 0.00 -1.06 -4.05 105.19 103.50 1vdm n GLY 49 Ca 0.46 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1vdm n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vdm n ASP 50 N -0.83 -1.83 -4.79 1.61 9.92 -0.40 -4.91 116.55 115.31 1vdm n ASP 50 Ca -0.04 -1.20 -0.35 0.00 -0.53 0.00 0.00 54.79 52.66 1vdm n ASP 50 Cb 0.54 -1.46 -0.05 0.00 -0.64 0.00 0.00 41.12 39.51 1vdm n ASP 50 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1vdm s ILE 51 N -3.91 4.03 0.58 0.53 -4.36 -1.11 -4.97 121.20 111.99 1vdm s ILE 51 Ca 0.27 1.45 -0.18 0.00 -0.26 0.00 0.00 60.65 61.93 1vdm s ILE 51 Cb -0.15 -3.70 -0.09 0.00 1.25 0.00 0.00 42.46 39.77 1vdm s ILE 51 CO 0.91 -0.09 0.42 -0.81 0.24 0.00 0.00 174.94 175.61 1vdm n PRO 52 N -0.22 0.41 -3.87 0.37 -0.04 -1.26 -4.77 135.00 125.62 1vdm n PRO 52 Ca 0.05 0.16 -0.26 0.00 -0.04 0.00 0.00 63.50 63.42 1vdm n PRO 52 Cb 0.51 -1.60 -0.17 0.00 -0.04 0.00 0.00 33.50 32.20 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 1.35 1.16 0.05 1.53 2.96 -1.26 -1.95 118.68 122.51 1vdm s LEU 53 Ca 0.67 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 1vdm s LEU 53 Cb -0.44 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 1vdm s LEU 53 CO 0.57 -0.15 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.84 1vdm s LYS 54 N 1.75 2.46 -0.11 1.98 1.02 -0.44 -5.00 119.74 121.40 1vdm s LYS 54 Ca 0.04 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 1vdm s LYS 54 Cb -0.13 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 1vdm s LYS 54 CO -0.08 0.57 -0.08 0.08 -0.92 0.00 0.00 175.35 174.92 1vdm s VAL 55 N -1.12 3.52 -0.02 3.17 1.01 -1.26 -1.75 120.40 123.95 1vdm s VAL 55 Ca 0.20 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1vdm s VAL 55 Cb -0.11 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1vdm s VAL 55 CO 0.11 0.54 -0.17 -0.51 0.00 0.00 0.00 175.10 175.08 1vdm s ILE 56 N -0.11 1.38 -0.10 2.22 2.07 -0.77 -4.34 121.20 121.55 1vdm s ILE 56 Ca 0.01 -0.73 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 1vdm s ILE 56 Cb -0.13 -1.16 0.02 0.00 0.13 0.00 0.00 42.46 41.31 1vdm s ILE 56 CO 0.03 0.39 -0.11 -0.62 -1.91 0.00 0.00 174.94 172.73 1vdm s ASP 57 N -0.29 2.12 -0.22 4.50 3.68 -0.59 -1.15 116.67 124.72 1vdm s ASP 57 Ca 0.04 -0.33 0.00 0.00 2.13 0.00 0.00 52.55 54.39 1vdm s ASP 57 Cb -0.08 -0.89 0.03 0.00 -1.45 0.00 0.00 42.92 40.52 1vdm s ASP 57 CO 0.00 -0.05 -0.13 -0.69 0.13 0.00 0.00 175.17 174.43 1vdm s VAL 58 N 1.26 2.43 0.32 1.11 1.01 -1.26 -0.79 120.40 124.48 1vdm s VAL 58 Ca -0.03 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 60.98 1vdm s VAL 58 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1vdm s VAL 58 CO -0.04 0.33 0.19 -0.54 0.00 0.00 0.00 175.10 175.04 1vdm s LYS 59 N 1.28 2.54 -0.03 2.72 -0.14 -0.43 -4.98 119.74 120.72 1vdm s LYS 59 Ca 0.01 -1.40 0.03 0.00 -1.36 0.00 0.00 55.97 53.25 1vdm s LYS 59 Cb -0.15 -2.32 -0.00 0.00 -1.68 0.00 0.00 37.83 33.68 1vdm s LYS 59 CO -0.08 0.16 -0.11 -0.06 -0.76 0.00 0.00 175.35 174.49 1vdm s PHE 60 N -2.35 1.14 0.12 3.18 0.40 -1.26 -1.53 117.98 117.68 1vdm s PHE 60 Ca 0.38 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.47 1vdm s PHE 60 Cb -0.04 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 1vdm s PHE 60 CO 0.24 -0.10 -0.11 0.71 0.70 0.00 0.00 175.22 176.66 1vdm s TYR 61 N 0.06 1.24 -0.04 0.36 4.12 -0.98 -4.98 117.35 117.13 1vdm s TYR 61 Ca -0.02 -0.66 0.02 0.00 0.02 0.00 0.00 57.07 56.44 1vdm s TYR 61 Cb -0.08 -0.65 -0.03 0.00 -1.52 0.00 0.00 41.96 39.68 1vdm s TYR 61 CO 0.01 0.08 -0.09 -1.59 0.02 0.00 0.00 175.55 173.98 1vdm s LYS 62 N -3.07 2.63 0.18 -0.62 -2.85 -1.26 -0.53 119.74 114.21 1vdm s LYS 62 Ca 0.10 -0.63 0.01 0.00 -1.00 0.00 0.00 55.97 54.45 1vdm s LYS 62 Cb -0.02 -2.51 -0.01 0.00 -2.06 0.00 0.00 37.83 33.23 1vdm s LYS 62 CO 0.01 0.64 0.05 0.39 0.10 0.00 0.00 175.35 176.54 1vdm n GLU 69 N 2.04 0.93 -4.05 1.78 1.02 -1.26 -5.14 120.64 115.96 1vdm n GLU 69 Ca -0.17 -1.48 -0.31 0.00 -0.02 0.00 0.00 57.16 55.18 1vdm n GLU 69 Cb 0.53 0.72 -0.16 0.00 -0.02 0.00 0.00 31.44 32.50 1vdm n GLU 69 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1vdm s LYS 70 N -2.68 2.52 0.19 3.49 2.20 0.31 -5.12 119.74 120.65 1vdm s LYS 70 Ca 0.07 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 1vdm s LYS 70 Cb 0.00 -2.33 -0.08 0.00 -1.51 0.00 0.00 37.83 33.92 1vdm s LYS 70 CO 0.05 -0.26 1.00 -1.25 -0.36 0.00 0.00 175.35 174.53 1vdm s PRO 71 N 1.39 4.72 -0.05 4.03 0.04 -1.26 -2.31 135.00 141.56 1vdm s PRO 71 Ca 0.04 1.57 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1vdm s PRO 71 Cb -0.13 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.11 1vdm s PRO 71 CO -0.11 0.28 -0.13 0.14 0.04 0.00 0.00 177.00 177.23 1vdm s VAL 72 N -0.58 1.13 -0.44 -0.36 -7.23 -0.58 -5.01 120.40 107.33 1vdm s VAL 72 Ca 0.45 -0.51 -0.22 0.00 -1.81 0.00 0.00 61.98 59.89 1vdm s VAL 72 Cb -0.27 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 35.69 1vdm s VAL 72 CO 0.33 0.34 0.71 -0.63 -0.31 0.00 0.00 175.10 175.54 1vdm s ILE 73 N 0.38 4.75 -0.36 -0.62 1.01 -1.26 -1.31 121.20 123.79 1vdm s ILE 73 Ca -0.09 0.29 0.23 0.00 0.00 0.00 0.00 60.65 61.08 1vdm s ILE 73 Cb -0.13 -4.25 0.18 0.00 0.01 0.00 0.00 42.46 38.27 1vdm s ILE 73 CO 0.02 -0.63 1.36 0.71 0.00 0.00 0.00 174.94 176.40 1vdm h THR 74 N 5.91 0.00 -2.44 2.92 1.35 -1.34 -3.41 112.91 115.91 1vdm h THR 74 Ca -0.25 -0.98 -0.51 0.00 -0.55 0.00 0.00 66.41 64.12 1vdm h THR 74 Cb 1.09 1.75 -0.37 0.00 -1.73 0.00 0.00 68.15 68.89 1vdm h THR 74 CO 0.92 0.00 -0.79 -0.63 -0.25 0.00 0.00 175.52 174.77 1vdm s ILE 75 N -3.28 -0.04 0.65 6.82 1.01 -1.18 -4.92 121.20 120.27 1vdm s ILE 75 Ca 0.04 -1.31 -0.13 0.00 0.00 0.00 0.00 60.65 59.24 1vdm s ILE 75 Cb 0.07 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1vdm s ILE 75 CO 0.72 -0.82 1.06 -2.16 0.00 0.00 0.00 174.94 173.75 1vdm s PRO 76 N 1.40 3.04 -0.27 2.79 0.04 -1.26 -1.54 135.00 139.20 1vdm s PRO 76 Ca 0.16 1.11 -0.06 0.00 0.04 0.00 0.00 61.00 62.26 1vdm s PRO 76 Cb -0.20 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1vdm s PRO 76 CO -0.08 -1.03 0.03 0.96 0.04 0.00 0.00 177.00 176.93 1vdm s ILE 77 N -2.72 3.73 0.68 0.56 -4.36 -1.26 -4.82 121.20 113.01 1vdm s ILE 77 Ca 0.61 -0.65 0.01 0.00 -0.26 0.00 0.00 60.65 60.36 1vdm s ILE 77 Cb -0.16 -2.86 0.11 0.00 1.25 0.00 0.00 42.46 40.81 1vdm s ILE 77 CO 0.46 0.19 0.94 -1.00 0.24 0.00 0.00 174.94 175.77 1vdm s HIS 78 N 1.48 1.72 0.00 1.37 3.76 -1.26 -4.99 115.29 117.37 1vdm s HIS 78 Ca 0.03 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1vdm s HIS 78 Cb -0.16 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.66 1vdm s HIS 78 CO 0.00 -1.54 0.00 0.41 -0.85 0.00 0.00 174.74 172.76 1vdm n GLY 79 N -2.70 -1.52 3.65 -2.22 0.00 -1.26 -5.02 105.19 96.12 1vdm n GLY 79 Ca 0.14 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.99 4.51 -0.15 1.61 3.84 -1.26 -4.97 116.67 116.25 1vdm s ASP 80 Ca 0.00 -0.71 0.17 0.00 -0.00 0.00 0.00 52.55 52.01 1vdm s ASP 80 Cb 0.00 -0.78 0.44 0.00 -1.38 0.00 0.00 42.92 41.20 1vdm s ASP 80 CO 0.00 -0.07 1.33 0.18 -0.00 0.00 0.00 175.17 176.61 1vdm n LEU 81 N -0.94 3.39 -4.68 2.11 4.77 -0.53 -5.02 117.00 116.12 1vdm n LEU 81 Ca -0.06 -2.96 -0.50 0.00 -0.03 0.00 0.00 56.01 52.45 1vdm n LEU 81 Cb 0.60 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1vdm n LEU 81 CO 0.41 0.68 1.35 1.17 -1.33 0.00 0.00 177.39 179.67 1vdm n LYS 82 N -0.70 1.84 -3.56 3.23 4.81 -1.23 -1.25 118.16 121.30 1vdm n LYS 82 Ca 0.19 0.67 -0.22 0.00 -0.87 0.00 0.00 58.31 58.08 1vdm n LYS 82 Cb 0.79 -2.45 0.08 0.00 0.02 0.00 0.00 35.03 33.48 1vdm n LYS 82 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1vdm n ASP 83 N 5.43 -5.50 -3.79 3.14 10.43 -1.25 -4.91 116.55 120.11 1vdm n ASP 83 Ca 0.22 -0.55 -0.24 0.00 2.57 0.00 0.00 54.79 56.79 1vdm n ASP 83 Cb 0.24 -5.03 -0.17 0.00 1.84 0.00 0.00 41.12 38.00 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 -6.12 0.78 -0.27 -1.24 1.02 -0.38 -4.91 119.74 108.63 1vdm s LYS 84 Ca 0.47 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.15 1vdm s LYS 84 Cb -0.21 -1.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 1vdm s LYS 84 CO 0.73 -0.33 1.69 1.03 -0.92 0.00 0.00 175.35 177.54 1vdm s ARG 85 N 1.91 3.60 0.14 1.68 0.52 -1.26 -3.04 118.95 122.50 1vdm s ARG 85 Ca 0.04 1.55 -0.03 0.00 -0.52 0.00 0.00 55.73 56.78 1vdm s ARG 85 Cb -0.13 -4.10 -0.05 0.00 0.52 0.00 0.00 34.95 31.19 1vdm s ARG 85 CO -0.06 -1.53 0.34 0.08 0.02 0.00 0.00 175.30 174.15 1vdm s VAL 86 N 5.89 5.23 -0.07 3.52 1.01 0.03 -1.14 120.40 134.87 1vdm s VAL 86 Ca 0.75 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 1vdm s VAL 86 Cb -0.24 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1vdm s VAL 86 CO 0.32 -0.00 -0.02 0.54 0.00 0.00 0.00 175.10 175.94 1vdm s VAL 87 N -1.69 0.48 -0.22 2.92 0.11 -0.96 -1.57 120.40 119.48 1vdm s VAL 87 Ca 0.39 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.35 1vdm s VAL 87 Cb -0.12 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 1vdm s VAL 87 CO 0.27 0.26 0.18 -0.63 -3.33 0.00 0.00 175.10 171.85 1vdm s ILE 88 N 1.70 5.36 -0.08 7.04 1.01 -0.15 -0.45 121.20 135.62 1vdm s ILE 88 Ca 0.01 0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.97 1vdm s ILE 88 Cb -0.13 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1vdm s ILE 88 CO -0.04 0.37 -0.20 -0.69 0.00 0.00 0.00 174.94 174.38 1vdm s VAL 89 N 0.79 2.48 0.20 2.92 1.01 0.31 -0.85 120.40 127.26 1vdm s VAL 89 Ca 0.10 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1vdm s VAL 89 Cb -0.13 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1vdm s VAL 89 CO 0.03 0.56 0.28 -0.62 0.00 0.00 0.00 175.10 175.34 1vdm s ASP 90 N -0.02 0.06 -0.05 3.32 -1.08 -0.75 -1.87 116.67 116.28 1vdm s ASP 90 Ca -0.06 -1.07 -0.15 0.00 -0.52 0.00 0.00 52.55 50.75 1vdm s ASP 90 Cb -0.15 0.45 -0.09 0.00 -1.46 0.00 0.00 42.92 41.67 1vdm s ASP 90 CO 0.05 -0.94 0.60 -2.24 0.52 0.00 0.00 175.17 173.16 1vdm h ASP 91 N 2.51 -0.31 -3.70 -0.34 3.04 -1.85 -2.97 116.42 112.80 1vdm h ASP 91 Ca -0.32 -0.10 -0.21 0.00 -3.24 0.00 0.00 57.03 53.16 1vdm h ASP 91 Cb 1.24 0.08 -0.28 0.00 -1.04 0.00 0.00 39.33 39.33 1vdm h ASP 91 CO 0.47 0.17 -0.60 0.54 -2.04 0.00 0.00 179.24 177.77 1vdm s VAL 92 N -3.06 -0.01 -0.51 4.15 0.11 -1.26 -1.02 120.40 118.80 1vdm s VAL 92 Ca -0.08 0.04 -0.19 0.00 -2.93 0.00 0.00 61.98 58.82 1vdm s VAL 92 Cb 0.01 -0.17 0.07 0.00 -1.53 0.00 0.00 36.38 34.75 1vdm s VAL 92 CO 0.27 0.02 0.61 -0.55 -3.33 0.00 0.00 175.10 172.12 1vdm s SER 93 N 0.30 6.21 0.00 3.54 0.15 -0.41 -4.94 113.70 118.56 1vdm s SER 93 Ca -0.02 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.61 1vdm s SER 93 Cb -0.03 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1vdm s SER 93 CO -0.01 -0.90 0.00 -0.67 1.20 0.00 0.00 173.24 172.86 1vdm n ASP 94 N 6.10 0.00 0.10 5.45 4.64 -1.26 -1.23 116.55 130.35 1vdm n ASP 94 Ca -0.07 0.00 -0.23 0.00 -1.38 0.00 0.00 54.79 53.10 1vdm n ASP 94 Cb 0.45 -0.00 -0.15 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 1.13 0.00 5.18 1.35 -1.92 -3.17 112.91 115.49 1vdm h THR 95 Ca 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 63.28 1vdm h THR 95 Cb 0.00 2.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1vdm h THR 95 CO 0.00 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 1vdm n GLY 96 N 1.78 0.59 0.33 5.82 0.00 -1.26 0.22 105.19 112.66 1vdm n GLY 96 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1vdm n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vdm n LYS 97 N -1.22 -0.34 -0.25 1.61 4.81 -1.26 -1.39 118.16 120.12 1vdm n LYS 97 Ca 0.00 1.36 -0.07 0.00 -0.87 0.00 0.00 58.31 58.73 1vdm n LYS 97 Cb 0.00 -2.01 0.06 0.00 0.02 0.00 0.00 35.03 33.09 1vdm n LYS 97 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1vdm h THR 98 N 0.00 1.26 -0.37 3.15 2.02 -1.96 -2.94 112.91 114.07 1vdm h THR 98 Ca 0.12 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1vdm h THR 98 Cb 0.32 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1vdm h THR 98 CO -0.73 0.38 0.12 -0.07 0.37 0.00 0.00 175.52 175.59 1vdm h LEU 99 N 1.06 0.48 -0.14 2.58 3.38 -1.72 -2.12 115.31 118.84 1vdm h LEU 99 Ca 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1vdm h LEU 99 Cb 0.39 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1vdm h LEU 99 CO 0.00 0.46 0.03 -0.33 0.09 0.00 0.00 178.44 178.69 1vdm h GLU 100 N 0.52 0.22 0.00 1.13 5.08 -1.05 0.13 114.58 120.61 1vdm h GLU 100 Ca 0.13 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1vdm h GLU 100 Cb 0.15 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1vdm h GLU 100 CO -0.01 0.39 -0.01 0.28 -1.00 0.00 0.00 179.01 178.65 1vdm h VAL 101 N 0.02 0.67 0.22 3.13 2.07 -1.41 -1.49 116.25 119.46 1vdm h VAL 101 Ca 0.04 -0.05 -0.32 0.00 0.82 0.00 0.00 66.70 67.19 1vdm h VAL 101 Cb 0.27 1.03 0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1vdm h VAL 101 CO 0.00 0.01 -1.45 0.58 0.02 0.00 0.00 177.57 176.73 1vdm h VAL 102 N 0.00 1.31 -0.70 2.57 2.07 -0.86 -2.95 116.25 117.69 1vdm h VAL 102 Ca -0.00 -2.78 -0.02 0.00 0.82 0.00 0.00 66.70 64.73 1vdm h VAL 102 Cb 0.03 3.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1vdm h VAL 102 CO 0.00 0.83 0.37 0.40 0.02 0.00 0.00 177.57 179.20 1vdm h ILE 103 N 0.13 1.22 -0.33 4.57 2.04 -0.25 -1.31 117.51 123.57 1vdm h ILE 103 Ca -0.24 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1vdm h ILE 103 Cb 2.12 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1vdm h ILE 103 CO 0.25 0.25 0.19 -0.33 0.00 0.00 0.00 178.15 178.51 1vdm h GLU 104 N 0.96 0.38 -0.49 2.37 4.39 -1.36 -1.06 114.58 119.78 1vdm h GLU 104 Ca 0.25 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1vdm h GLU 104 Cb 0.06 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1vdm h GLU 104 CO -0.04 0.25 0.13 0.93 -1.16 0.00 0.00 179.01 179.13 1vdm h GLU 105 N 0.40 0.73 -0.48 2.33 4.39 -1.31 -0.07 114.58 120.57 1vdm h GLU 105 Ca 0.13 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1vdm h GLU 105 Cb 0.00 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1vdm h GLU 105 CO -0.06 0.65 -0.22 0.28 -1.16 0.00 0.00 179.01 178.50 1vdm h VAL 106 N 0.71 1.27 -0.47 3.13 2.07 -0.83 -3.00 116.25 119.13 1vdm h VAL 106 Ca 0.16 -1.38 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 1vdm h VAL 106 Cb 0.25 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1vdm h VAL 106 CO -0.00 0.47 -0.21 0.11 0.02 0.00 0.00 177.57 177.96 1vdm h LYS 107 N 0.84 0.97 0.00 1.57 1.57 -0.81 -2.66 116.57 118.05 1vdm h LYS 107 Ca 0.11 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1vdm h LYS 107 Cb 0.79 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1vdm h LYS 107 CO 0.07 1.09 0.00 1.17 -0.57 0.00 0.00 179.45 181.20 1vdm n LYS 108 N -4.14 0.18 -0.01 3.15 4.81 -0.07 -1.15 118.16 120.93 1vdm n LYS 108 Ca -0.00 0.05 0.02 0.00 -0.87 0.00 0.00 58.31 57.51 1vdm n LYS 108 Cb 0.45 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 34.02 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 -1.07 1.44 0.00 3.14 4.77 -1.02 -5.01 117.00 119.25 1vdm n LEU 109 Ca 0.04 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1vdm n LEU 109 Cb 0.03 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1vdm n LEU 109 CO 0.04 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1vdm n GLY 110 N 0.11 0.82 3.71 -0.72 0.00 -0.30 -1.45 105.19 107.37 1vdm n GLY 110 Ca 0.02 -0.31 -0.57 0.00 0.00 0.00 0.00 46.02 45.16 1vdm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdm n ALA 111 N -1.12 -0.15 0.11 4.61 0.00 -1.14 -3.56 120.51 119.26 1vdm n ALA 111 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.69 1vdm n ALA 111 Cb 0.00 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.15 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 7.26 -0.25 -3.68 0.00 3.64 -1.58 -3.45 116.57 118.51 1vdm h LYS 112 Ca -0.47 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 58.79 1vdm h LYS 112 Cb 1.32 0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 33.00 1vdm h LYS 112 CO 0.96 -0.16 -0.53 -2.00 -2.27 0.00 0.00 179.45 175.44 1vdm s GLU 113 N -6.15 0.51 -0.04 1.90 2.12 -1.25 -4.99 118.70 110.79 1vdm s GLU 113 Ca -0.14 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.64 1vdm s GLU 113 Cb 0.06 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.67 1vdm s GLU 113 CO 0.65 -0.12 -0.08 0.42 -0.54 0.00 0.00 175.26 175.59 1vdm s ILE 114 N -1.88 0.80 0.10 -3.70 1.01 -1.26 -0.79 121.20 115.48 1vdm s ILE 114 Ca -0.11 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.29 1vdm s ILE 114 Cb -0.05 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 1vdm s ILE 114 CO -0.01 0.27 -0.16 -0.54 0.00 0.00 0.00 174.94 174.50 1vdm s LYS 115 N 0.57 0.97 -0.11 2.79 3.01 -0.61 -5.00 119.74 121.36 1vdm s LYS 115 Ca -0.10 -1.11 0.02 0.00 -1.01 0.00 0.00 55.97 53.77 1vdm s LYS 115 Cb -0.13 -0.98 0.01 0.00 -1.01 0.00 0.00 37.83 35.72 1vdm s LYS 115 CO 0.01 0.21 -0.17 0.42 0.51 0.00 0.00 175.35 176.33 1vdm s ILE 116 N -1.59 1.62 -0.09 2.17 1.01 -1.26 -0.98 121.20 122.09 1vdm s ILE 116 Ca 0.04 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1vdm s ILE 116 Cb -0.08 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1vdm s ILE 116 CO 0.03 0.46 -0.20 0.00 0.00 0.00 0.00 174.94 175.23 1vdm s ALA 117 N 0.84 1.86 0.08 9.38 0.00 -0.03 -0.64 121.76 133.26 1vdm s ALA 117 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1vdm s ALA 117 Cb -0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1vdm s ALA 117 CO 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 175.76 175.97 1vdm h LEU 119 N 3.04 0.65 -8.58 0.00 3.38 -1.01 -3.29 115.31 109.49 1vdm h LEU 119 Ca -0.35 -0.84 -0.24 0.00 0.09 0.00 0.00 57.88 56.54 1vdm h LEU 119 Cb 1.16 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 1vdm h LEU 119 CO 0.65 1.43 -0.57 0.00 0.09 0.00 0.00 178.44 180.04 1vdm s ALA 120 N -2.89 1.11 -0.16 1.53 0.00 -0.18 0.04 121.76 121.20 1vdm s ALA 120 Ca -0.12 -1.66 -0.21 0.00 0.00 0.00 0.00 51.96 49.97 1vdm s ALA 120 Cb 0.03 1.37 0.05 0.00 0.00 0.00 0.00 23.12 24.58 1vdm s ALA 120 CO 0.87 -0.62 0.55 0.00 0.00 0.00 0.00 175.76 176.56 1vdm s MET 121 N -4.09 0.71 0.14 0.00 0.23 0.22 -1.28 119.30 115.23 1vdm s MET 121 Ca 0.38 0.59 -0.18 0.00 -1.03 0.00 0.00 55.69 55.45 1vdm s MET 121 Cb 0.06 0.34 -0.07 0.00 -1.53 0.00 0.00 34.83 33.63 1vdm s MET 121 CO 0.13 -0.13 0.61 0.15 -2.03 0.00 0.00 175.02 173.75 1vdm s LYS 122 N -0.10 4.16 0.54 3.16 -0.14 -0.37 -2.76 119.74 124.23 1vdm s LYS 122 Ca -0.03 0.71 0.27 0.00 -1.36 0.00 0.00 55.97 55.56 1vdm s LYS 122 Cb -0.03 -3.06 1.43 0.00 -1.68 0.00 0.00 37.83 34.49 1vdm s LYS 122 CO 0.03 0.53 1.97 -1.00 -0.76 0.00 0.00 175.35 176.11 1vdm h PRO 123 N 3.95 0.00 -0.60 -1.68 0.13 -1.90 -2.48 132.00 129.43 1vdm h PRO 123 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1vdm h PRO 123 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1vdm h PRO 123 CO 0.65 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.75 1vdm n TRP 124 N -4.27 0.87 -2.39 1.56 2.14 -1.26 -4.96 117.44 109.13 1vdm n TRP 124 Ca 0.11 -0.34 -0.36 0.00 2.07 0.00 0.00 57.50 58.98 1vdm n TRP 124 Cb 0.68 -0.17 -0.02 0.00 -0.81 0.00 0.00 31.31 30.98 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 -1.72 3.41 -0.74 -1.67 -1.32 -0.94 -4.86 115.64 107.80 1vdm s THR 125 Ca 0.29 0.99 0.26 0.00 -1.21 0.00 0.00 61.69 62.02 1vdm s THR 125 Cb 0.19 -3.47 0.21 0.00 -1.51 0.00 0.00 72.50 67.92 1vdm s THR 125 CO 0.14 -0.08 1.66 -1.54 -2.21 0.00 0.00 174.62 172.59 1vdm n SER 126 N -0.63 0.70 -3.84 8.08 3.41 0.13 -4.43 113.62 117.05 1vdm n SER 126 Ca 0.08 0.42 -0.29 0.00 -0.26 0.00 0.00 58.87 58.82 1vdm n SER 126 Cb 0.50 -0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 63.84 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 -3.11 2.34 -0.26 -3.33 1.01 -1.26 -5.01 120.40 110.78 1vdm s VAL 127 Ca 0.10 -3.61 -0.29 0.00 0.00 0.00 0.00 61.98 58.18 1vdm s VAL 127 Cb 0.13 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1vdm s VAL 127 CO 0.63 -0.96 1.54 -0.69 0.00 0.00 0.00 175.10 175.62 1vdm s VAL 128 N -0.72 3.80 0.62 2.92 1.01 -1.26 -4.91 120.40 121.86 1vdm s VAL 128 Ca 0.22 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 1vdm s VAL 128 Cb -0.12 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1vdm s VAL 128 CO -0.10 -0.38 1.10 -2.65 0.00 0.00 0.00 175.10 173.08 1vdm n PRO 129 N 7.66 1.01 0.20 2.72 -0.02 -1.26 -4.89 135.00 140.41 1vdm n PRO 129 Ca 0.18 0.39 0.07 0.00 -2.02 0.00 0.00 63.50 62.12 1vdm n PRO 129 Cb 0.46 -2.32 0.42 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.53 0.00 -3.47 2.55 5.19 -1.26 -3.42 116.42 116.54 1vdm h ASP 130 Ca -0.49 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.72 1vdm h ASP 130 Cb 1.35 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 40.57 1vdm h ASP 130 CO 0.52 0.32 -0.48 -0.31 -3.12 0.00 0.00 179.24 176.17 1vdm s TYR 131 N -3.81 -0.30 0.23 4.55 1.51 -0.78 -5.01 117.35 113.74 1vdm s TYR 131 Ca -0.01 0.73 -0.18 0.00 -1.01 0.00 0.00 57.07 56.60 1vdm s TYR 131 Cb 0.12 0.05 0.02 0.00 -0.11 0.00 0.00 41.96 42.04 1vdm s TYR 131 CO 0.67 -0.20 0.59 1.52 -1.11 0.00 0.00 175.55 177.01 1vdm s TYR 132 N 0.97 -0.09 -0.05 2.71 -0.85 -1.26 -1.51 117.35 117.28 1vdm s TYR 132 Ca -0.07 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.20 1vdm s TYR 132 Cb -0.08 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.70 1vdm s TYR 132 CO -0.06 -1.03 -0.04 0.28 -1.52 0.00 0.00 175.55 173.17 1vdm n VAL 133 N -0.39 0.28 -4.39 -3.49 0.31 -0.20 -5.01 118.33 105.45 1vdm n VAL 133 Ca -0.07 -0.10 -0.34 0.00 -0.01 0.00 0.00 64.34 63.82 1vdm n VAL 133 Cb 0.61 -0.72 -0.12 0.00 -0.91 0.00 0.00 33.84 32.71 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 -2.10 3.04 -0.25 3.52 0.40 0.11 -5.00 117.98 117.70 1vdm s PHE 134 Ca -0.07 -0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1vdm s PHE 134 Cb 0.02 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.63 1vdm s PHE 134 CO 0.11 0.00 -0.07 0.50 0.70 0.00 0.00 175.22 176.46 1vdm s ARG 135 N 0.29 2.70 0.12 0.44 3.52 -1.26 -0.61 118.95 124.15 1vdm s ARG 135 Ca -0.03 -1.07 -0.08 0.00 -0.13 0.00 0.00 55.73 54.42 1vdm s ARG 135 Cb -0.14 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1vdm s ARG 135 CO 0.03 -0.45 0.22 -0.08 -0.81 0.00 0.00 175.30 174.21 1vdm s THR 136 N 1.28 0.11 -0.67 4.11 -1.32 -1.11 -5.00 115.64 113.03 1vdm s THR 136 Ca -0.02 -1.34 0.07 0.00 -1.21 0.00 0.00 61.69 59.19 1vdm s THR 136 Cb -0.17 -1.62 0.01 0.00 -1.51 0.00 0.00 72.50 69.20 1vdm s THR 136 CO -0.05 -0.49 0.55 -0.62 -2.21 0.00 0.00 174.62 171.81 1vdm n GLU 137 N -0.13 1.90 -2.80 7.08 1.02 -1.26 -4.10 120.64 122.35 1vdm n GLU 137 Ca -0.11 -0.57 -0.23 0.00 -0.02 0.00 0.00 57.16 56.24 1vdm n GLU 137 Cb 0.63 -1.01 0.02 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.99 2.85 0.34 3.49 1.02 -1.26 -5.06 119.74 120.13 1vdm s LYS 138 Ca 0.06 -0.55 -0.27 0.00 0.02 0.00 0.00 55.97 55.24 1vdm s LYS 138 Cb 0.06 -2.50 -0.09 0.00 -0.52 0.00 0.00 37.83 34.77 1vdm s LYS 138 CO 0.16 -0.48 1.08 -0.46 -0.92 0.00 0.00 175.35 174.72 1vdm s TRP 139 N -2.68 3.41 -0.15 3.18 -0.11 -1.26 -4.87 118.94 116.46 1vdm s TRP 139 Ca 0.52 1.67 -0.04 0.00 1.22 0.00 0.00 56.10 59.47 1vdm s TRP 139 Cb -0.10 -3.21 -0.03 0.00 -1.50 0.00 0.00 33.47 28.62 1vdm s TRP 139 CO 0.39 -0.62 -0.02 0.42 -4.62 0.00 0.00 176.95 172.49 1vdm s ILE 140 N -1.41 4.05 -0.32 5.86 1.01 -1.26 -1.37 121.20 127.75 1vdm s ILE 140 Ca 0.51 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.78 1vdm s ILE 140 Cb -0.27 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.46 1vdm s ILE 140 CO 0.35 0.51 0.11 -0.69 0.00 0.00 0.00 174.94 175.21 1vdm s VAL 141 N 0.16 4.01 0.49 2.92 1.01 0.18 -4.94 120.40 124.23 1vdm s VAL 141 Ca -0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1vdm s VAL 141 Cb -0.13 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 1vdm s VAL 141 CO 0.02 -0.07 0.94 -0.36 0.00 0.00 0.00 175.10 175.63 1vdm s PHE 142 N 1.47 3.45 0.56 5.22 0.40 -1.26 -1.30 117.98 126.53 1vdm s PHE 142 Ca 0.01 1.38 0.33 0.00 -0.60 0.00 0.00 56.93 58.05 1vdm s PHE 142 Cb -0.18 -2.72 1.46 0.00 0.51 0.00 0.00 43.02 42.09 1vdm s PHE 142 CO 0.03 -0.31 1.78 -1.35 0.70 0.00 0.00 175.22 176.08 1vdm h PRO 143 N 1.01 0.00 -0.33 0.24 0.11 -1.84 0.71 132.00 131.91 1vdm h PRO 143 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1vdm h PRO 143 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 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 -3.95 0.44 -3.99 0.65 2.14 -1.26 -4.92 117.44 106.55 1vdm n TRP 144 Ca 0.20 -0.22 -0.33 0.00 2.07 0.00 0.00 57.50 59.23 1vdm n TRP 144 Cb 1.11 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.55 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 -1.56 3.26 0.54 -2.67 2.02 0.24 -5.11 118.70 115.41 1vdm s GLU 145 Ca 0.31 -0.42 -0.04 0.00 0.02 0.00 0.00 54.97 54.84 1vdm s GLU 145 Cb 0.17 -2.98 -0.00 0.00 0.10 0.00 0.00 34.13 31.42 1vdm s GLU 145 CO 0.23 0.65 0.83 -1.21 0.02 0.00 0.00 175.26 175.78 1vdm s GLU 146 N -1.94 3.04 0.20 1.61 8.01 -1.26 -4.90 118.70 123.46 1vdm s GLU 146 Ca 0.26 -0.11 0.06 0.00 0.01 0.00 0.00 54.97 55.20 1vdm s GLU 146 Cb -0.12 -2.36 -0.04 0.00 -4.31 0.00 0.00 34.13 27.30 1vdm s GLU 146 CO 0.18 -0.52 0.12 -0.06 0.01 0.00 0.00 175.26 174.99 1vdm s PHE 147 N -2.84 3.07 0.24 1.61 0.08 -1.26 -5.08 117.98 113.78 1vdm s PHE 147 Ca 0.52 -0.07 -0.16 0.00 0.12 0.00 0.00 56.93 57.33 1vdm s PHE 147 Cb -0.10 -1.44 -0.08 0.00 -0.57 0.00 0.00 43.02 40.82 1vdm s PHE 147 CO 0.43 0.53 0.67 -2.14 -0.10 0.00 0.00 175.22 174.60 1vdm s PRO 148 N -3.32 4.06 -0.20 0.24 0.02 -1.26 -5.06 135.00 129.48 1vdm s PRO 148 Ca 0.31 0.65 -0.07 0.00 0.02 0.00 0.00 61.00 61.91 1vdm s PRO 148 Cb -0.09 -2.73 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 1vdm s PRO 148 CO 0.23 0.33 0.05 0.08 -0.33 0.00 0.00 177.00 177.36 1vdm s VAL 149 N -1.68 4.43 -0.54 3.83 1.01 -1.26 -5.05 120.40 121.15 1vdm s VAL 149 Ca 0.46 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 1vdm s VAL 149 Cb -0.14 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.27 1vdm s VAL 149 CO 0.20 0.42 0.95 -0.63 0.00 0.00 0.00 175.10 176.03 1vdm s ILE 150 N 0.85 4.39 0.00 2.22 -1.09 -1.26 -5.02 121.20 121.29 1vdm s ILE 150 Ca 0.03 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1vdm s ILE 150 Cb -0.14 -4.53 0.00 0.00 -1.58 0.00 0.00 42.46 36.22 1vdm s ILE 150 CO 0.02 -1.07 0.00 -0.62 -1.23 0.00 0.00 174.94 172.05 1vdm n GLU 151 N 7.44 0.76 0.00 2.79 1.02 -1.26 -5.36 120.64 126.03 1vdm n GLU 151 Ca 0.03 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1vdm n GLU 151 Cb 0.48 -0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1vdm n GLU 151 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94