#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm s THR 7 N 0.00 2.53 0.44 3.84 -4.23 -1.26 -4.81 115.64 112.15 3abm s THR 7 Ca 0.00 0.29 0.25 0.00 -1.18 0.00 0.00 61.69 61.06 3abm s THR 7 Cb 0.00 -2.96 0.45 0.00 1.34 0.00 0.00 72.50 71.33 3abm s THR 7 CO 0.00 -0.11 1.74 0.44 -0.54 0.00 0.00 174.62 176.15 3abm h ASP 8 N 0.27 0.30 -0.14 3.99 3.32 -2.05 -1.10 116.42 121.01 3abm h ASP 8 Ca -0.49 0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.47 3abm h ASP 8 Cb 1.29 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 3abm h ASP 8 CO 0.53 0.00 -0.52 -0.33 -1.72 0.00 0.00 179.24 177.20 3abm h GLU 9 N 0.24 0.72 -0.22 3.56 3.07 -1.99 -1.63 114.58 118.33 3abm h GLU 9 Ca 0.65 -0.44 -0.09 0.00 -0.50 0.00 0.00 59.36 58.98 3abm h GLU 9 Cb 1.95 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.90 3abm h GLU 9 CO -0.26 1.06 -0.20 0.93 -1.40 0.00 0.00 179.01 179.14 3abm h GLU 10 N 0.56 0.52 -0.40 2.33 5.08 -1.60 -0.22 114.58 120.85 3abm h GLU 10 Ca 0.02 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3abm h GLU 10 Cb 1.09 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 3abm h GLU 10 CO 0.11 0.85 0.17 0.35 -1.00 0.00 0.00 179.01 179.48 3abm h PHE 11 N 0.21 0.30 -0.54 4.33 3.04 -1.29 -1.68 116.94 121.31 3abm h PHE 11 Ca 0.04 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.91 3abm h PHE 11 Cb 0.75 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 3abm h PHE 11 CO 0.08 0.14 -0.03 -0.44 -2.02 0.00 0.00 178.31 176.03 3abm h ASP 12 N 0.34 0.97 -0.25 0.41 3.45 -1.15 -2.94 116.42 117.25 3abm h ASP 12 Ca 0.18 -0.32 0.02 0.00 0.43 0.00 0.00 57.03 57.34 3abm h ASP 12 Cb 0.13 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 3abm h ASP 12 CO -0.16 1.05 0.11 0.00 -1.57 0.00 0.00 179.24 178.67 3abm h ALA 13 N 0.94 0.29 -0.82 3.45 0.00 -0.66 -1.56 119.26 120.91 3abm h ALA 13 Ca 0.15 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3abm h ALA 13 Cb 0.58 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3abm h ALA 13 CO 0.03 -0.29 0.47 0.00 0.00 0.00 0.00 179.25 179.46 3abm h ARG 14 N 0.24 0.78 -0.14 0.00 3.08 -1.26 -0.40 114.38 116.68 3abm h ARG 14 Ca 0.11 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 3abm h ARG 14 Cb 0.05 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 29.93 3abm h ARG 14 CO -0.09 0.52 -0.59 -1.49 -1.07 0.00 0.00 179.97 177.25 3abm h TRP 15 N 0.81 0.87 -0.45 3.04 4.06 -1.39 -0.85 115.95 122.04 3abm h TRP 15 Ca 0.39 -0.37 0.04 0.00 2.06 0.00 0.00 58.89 61.01 3abm h TRP 15 Cb 0.33 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.31 3abm h TRP 15 CO -0.06 1.17 0.22 0.28 -3.56 0.00 0.00 178.44 176.50 3abm h VAL 16 N 0.32 0.97 -0.47 1.49 2.07 -0.86 -2.16 116.25 117.60 3abm h VAL 16 Ca -0.03 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3abm h VAL 16 Cb 1.22 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3abm h VAL 16 CO 0.12 0.08 0.30 0.74 0.02 0.00 0.00 177.57 178.84 3abm h THR 17 N 0.45 1.14 -0.20 2.57 2.02 -1.05 0.28 112.91 118.11 3abm h THR 17 Ca 0.19 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 67.15 3abm h THR 17 Cb 0.10 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 3abm h THR 17 CO -0.14 0.13 -0.21 0.22 0.37 0.00 0.00 175.52 175.90 3abm h TYR 18 N 0.64 -0.55 0.00 3.16 3.20 -0.85 -2.45 116.97 120.12 3abm h TYR 18 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3abm h TYR 18 Cb -0.04 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3abm h TYR 18 CO -0.04 -0.29 0.00 0.74 -1.64 0.00 0.00 178.16 176.94 3abm h PHE 19 N -0.23 0.00 0.00 -3.82 0.05 -1.00 -3.20 116.94 108.74 3abm h PHE 19 Ca 0.12 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.91 3abm h PHE 19 Cb 0.42 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.37 3abm h PHE 19 CO -0.35 0.00 -0.11 0.09 -0.18 0.00 0.00 178.31 177.76 3abm n ASN 20 N -2.56 0.76 -4.69 2.17 3.02 0.05 -4.44 115.26 109.57 3abm n ASN 20 Ca 0.05 0.49 -0.55 0.00 -0.03 0.00 0.00 54.58 54.54 3abm n ASN 20 Cb 0.45 -0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 38.94 3abm n ASN 20 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3abm n LYS 21 N -2.20 1.40 -0.26 3.52 4.81 -0.99 -4.86 118.16 119.58 3abm n LYS 21 Ca 0.05 0.51 0.03 0.00 -0.87 0.00 0.00 58.31 58.02 3abm n LYS 21 Cb 0.43 -2.26 0.16 0.00 0.02 0.00 0.00 35.03 33.37 3abm n LYS 21 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3abm h PRO 22 N 8.08 0.60 -1.03 1.64 0.11 -1.93 -2.20 132.00 137.27 3abm h PRO 22 Ca -0.46 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.06 3abm h PRO 22 Cb 1.31 -0.13 -0.28 0.00 0.11 0.00 0.00 31.00 32.00 3abm h PRO 22 CO 0.96 0.40 0.72 -0.40 -0.21 0.00 0.00 178.00 179.47 3abm n ASP 23 N -4.86 5.57 -4.74 -2.05 3.85 -1.26 -4.97 116.55 108.08 3abm n ASP 23 Ca 0.12 -3.61 -0.42 0.00 -0.71 0.00 0.00 54.79 50.17 3abm n ASP 23 Cb 0.30 -0.90 -0.02 0.00 -1.35 0.00 0.00 41.12 39.15 3abm n ASP 23 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 3abm s ILE 24 N -3.81 2.01 0.59 2.12 2.07 -0.83 -4.99 121.20 118.36 3abm s ILE 24 Ca 0.57 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.84 3abm s ILE 24 Cb 0.47 -3.00 0.07 0.00 0.13 0.00 0.00 42.46 40.12 3abm s ILE 24 CO 0.05 0.00 0.83 1.51 -1.91 0.00 0.00 174.94 175.42 3abm s ASP 25 N 0.75 5.00 0.24 4.50 1.47 -1.26 -4.92 116.67 122.45 3abm s ASP 25 Ca 0.68 -0.26 -0.06 0.00 1.18 0.00 0.00 52.55 54.09 3abm s ASP 25 Cb -0.49 -0.44 0.25 0.00 -0.34 0.00 0.00 42.92 41.90 3abm s ASP 25 CO 0.43 -1.36 1.83 0.00 0.68 0.00 0.00 175.17 176.75 3abm h ALA 26 N -0.05 1.15 -0.02 2.11 0.00 -1.97 -0.68 119.26 119.79 3abm h ALA 26 Ca -0.39 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.39 3abm h ALA 26 Cb 1.28 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3abm h ALA 26 CO 0.46 0.63 -0.22 2.35 0.00 0.00 0.00 179.25 182.47 3abm h TRP 27 N 1.12 -0.59 -0.35 0.00 7.01 -1.99 -0.33 115.95 120.81 3abm h TRP 27 Ca 0.27 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 3abm h TRP 27 Cb 0.15 0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 3abm h TRP 27 CO 0.02 -0.31 0.17 0.93 -2.79 0.00 0.00 178.44 176.46 3abm h GLU 28 N -0.34 0.48 -0.17 2.65 5.08 -1.84 0.12 114.58 120.56 3abm h GLU 28 Ca 0.07 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3abm h GLU 28 Cb 0.43 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3abm h GLU 28 CO -0.22 0.38 0.03 1.25 -1.00 0.00 0.00 179.01 179.45 3abm h LEU 29 N 0.49 0.26 -0.33 1.33 5.85 -0.66 -0.96 115.31 121.29 3abm h LEU 29 Ca 0.13 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3abm h LEU 29 Cb 0.05 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3abm h LEU 29 CO -0.02 0.44 0.05 0.03 -0.34 0.00 0.00 178.44 178.61 3abm h ARG 30 N 0.07 0.54 -0.98 1.25 3.08 -0.59 -2.22 114.38 115.54 3abm h ARG 30 Ca 0.05 -0.15 0.11 0.00 0.07 0.00 0.00 59.98 60.07 3abm h ARG 30 Cb 0.29 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 3abm h ARG 30 CO 0.00 0.63 0.61 -0.22 -1.07 0.00 0.00 179.97 179.92 3abm h LYS 31 N 0.37 0.94 0.03 0.04 1.63 -0.75 -0.70 116.57 118.13 3abm h LYS 31 Ca 0.10 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.71 3abm h LYS 31 Cb 0.35 -0.21 0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3abm h LYS 31 CO 0.01 0.62 -0.55 0.78 -3.45 0.00 0.00 179.45 176.86 3abm h GLY 32 N 0.97 0.35 0.97 5.01 0.00 -0.90 -1.87 103.07 107.60 3abm h GLY 32 Ca 0.48 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3abm h GLY 32 CO -0.26 0.60 0.01 -0.33 0.00 0.00 0.00 176.54 176.56 3abm h MET 33 N -0.30 0.03 -0.56 4.80 2.86 -1.22 0.74 114.93 121.29 3abm h MET 33 Ca -0.08 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3abm h MET 33 Cb 1.32 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.94 3abm h MET 33 CO 0.11 0.02 0.25 -0.91 1.06 0.00 0.00 176.91 177.44 3abm h ASN 34 N 0.03 0.71 -0.36 1.22 2.35 -1.19 -2.34 115.58 116.00 3abm h ASN 34 Ca 0.02 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3abm h ASN 34 Cb 0.01 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3abm h ASN 34 CO -0.02 0.62 0.00 0.74 -1.65 0.00 0.00 177.43 177.13 3abm h THR 35 N 0.79 1.26 -0.69 2.81 2.02 -1.13 -3.31 112.91 114.66 3abm h THR 35 Ca 0.19 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 3abm h THR 35 Cb 0.10 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3abm h THR 35 CO -0.02 0.32 0.25 0.25 0.37 0.00 0.00 175.52 176.69 3abm h LEU 36 N 0.45 0.96 -0.07 2.58 5.85 -0.49 -1.60 115.31 123.00 3abm h LEU 36 Ca 0.10 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3abm h LEU 36 Cb 0.45 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3abm h LEU 36 CO 0.02 0.87 0.00 1.33 -0.34 0.00 0.00 178.44 180.32 3abm n VAL 37 N -4.28 0.73 0.26 1.05 0.24 -0.91 -2.35 118.33 113.06 3abm n VAL 37 Ca 0.06 0.17 0.13 0.00 -2.04 0.00 0.00 64.34 62.66 3abm n VAL 37 Cb 0.20 -0.88 0.69 0.00 -1.47 0.00 0.00 33.84 32.37 3abm n VAL 37 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3abm h GLY 38 N 3.15 0.00 -0.92 7.63 0.00 -1.37 -3.47 103.07 108.09 3abm h GLY 38 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3abm h GLY 38 CO 0.00 0.00 0.39 -0.19 0.00 0.00 0.00 176.54 176.74 3abm s TYR 39 N -3.99 3.10 -1.25 5.60 2.02 -0.99 -4.94 117.35 116.90 3abm s TYR 39 Ca -0.02 0.99 -0.08 0.00 -0.37 0.00 0.00 57.07 57.59 3abm s TYR 39 Cb 0.12 -3.20 0.19 0.00 -0.40 0.00 0.00 41.96 38.67 3abm s TYR 39 CO 0.58 -1.50 1.84 -3.47 -1.57 0.00 0.00 175.55 171.43 3abm n ASP 40 N -3.20 5.54 -3.52 2.29 4.64 -1.26 -4.85 116.55 116.18 3abm n ASP 40 Ca 0.07 -3.18 -0.10 0.00 -1.38 0.00 0.00 54.79 50.20 3abm n ASP 40 Cb 0.58 -1.43 -0.03 0.00 -1.04 0.00 0.00 41.12 39.20 3abm n ASP 40 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 3abm s LEU 41 N -0.81 -0.42 -0.23 -2.67 0.05 -1.26 -5.13 118.68 108.22 3abm s LEU 41 Ca 0.39 0.21 -0.11 0.00 0.05 0.00 0.00 54.13 54.67 3abm s LEU 41 Cb 0.10 2.07 -0.05 0.00 -2.05 0.00 0.00 46.19 46.26 3abm s LEU 41 CO 0.02 -0.55 0.19 -0.69 -0.55 0.00 0.00 176.35 174.76 3abm s VAL 42 N -2.29 5.34 0.35 1.48 1.01 -1.26 -4.95 120.40 120.08 3abm s VAL 42 Ca 0.01 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 3abm s VAL 42 Cb -0.01 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 32.73 3abm s VAL 42 CO -0.04 0.34 1.39 -2.84 0.00 0.00 0.00 175.10 173.95 3abm s PRO 43 N 1.07 4.24 0.49 2.72 0.02 -1.26 -4.96 135.00 137.32 3abm s PRO 43 Ca 0.09 2.39 -0.23 0.00 0.02 0.00 0.00 61.00 63.27 3abm s PRO 43 Cb -0.14 -3.02 -0.07 0.00 0.02 0.00 0.00 34.50 31.29 3abm s PRO 43 CO 0.05 -0.36 1.19 0.39 -0.33 0.00 0.00 177.00 177.94 3abm n GLU 44 N 0.64 1.56 -0.33 5.54 -0.58 -1.26 -4.79 120.64 121.42 3abm n GLU 44 Ca 0.00 0.57 0.29 0.00 -0.42 0.00 0.00 57.16 57.60 3abm n GLU 44 Cb 0.41 -2.34 0.54 0.00 -0.57 0.00 0.00 31.44 29.47 3abm n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3abm h PRO 45 N 1.48 0.14 0.00 3.49 0.11 -1.92 0.18 132.00 135.49 3abm h PRO 45 Ca -0.48 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3abm h PRO 45 Cb 1.32 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3abm h PRO 45 CO 0.57 0.10 -0.31 1.57 -0.21 0.00 0.00 178.00 179.71 3abm h LYS 46 N 0.15 0.00 -0.02 1.05 2.10 -1.97 0.23 116.57 118.10 3abm h LYS 46 Ca 0.80 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.34 3abm h LYS 46 Cb 2.01 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.35 3abm h LYS 46 CO -0.68 0.31 -0.39 0.82 -2.00 0.00 0.00 179.45 177.52 3abm h ILE 47 N 0.00 1.47 -0.58 0.07 2.04 -1.00 -3.05 117.51 116.46 3abm h ILE 47 Ca -0.00 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 63.94 3abm h ILE 47 Cb 0.62 2.57 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 3abm h ILE 47 CO 0.04 0.54 0.37 0.40 0.00 0.00 0.00 178.15 179.50 3abm h ILE 48 N -0.26 1.16 0.47 -0.67 1.08 -0.89 -1.59 117.51 116.81 3abm h ILE 48 Ca -0.04 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3abm h ILE 48 Cb 1.10 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 3abm h ILE 48 CO 0.08 0.16 -0.43 -0.78 -0.69 0.00 0.00 178.15 176.49 3abm h ASP 49 N 0.80 -1.16 -0.76 1.72 -0.00 -0.62 -0.85 116.42 115.55 3abm h ASP 49 Ca 0.21 0.09 0.13 0.00 -0.00 0.00 0.00 57.03 57.46 3abm h ASP 49 Cb -0.05 0.38 -0.09 0.00 -0.00 0.00 0.00 39.33 39.57 3abm h ASP 49 CO -0.04 -0.60 0.35 0.00 -0.00 0.00 0.00 179.24 178.95 3abm h ALA 50 N -0.61 1.08 -0.55 -0.78 0.00 -1.38 -0.38 119.26 116.64 3abm h ALA 50 Ca -0.05 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3abm h ALA 50 Cb 0.79 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3abm h ALA 50 CO -0.04 -0.13 0.22 0.00 0.00 0.00 0.00 179.25 179.30 3abm h ALA 51 N 1.51 0.71 -0.67 0.00 0.00 -1.06 -1.70 119.26 118.05 3abm h ALA 51 Ca 0.40 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3abm h ALA 51 Cb 0.54 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3abm h ALA 51 CO -0.35 0.33 0.11 -0.07 0.00 0.00 0.00 179.25 179.27 3abm h LEU 52 N 0.75 1.06 -0.38 0.00 3.38 -0.60 -2.00 115.31 117.51 3abm h LEU 52 Ca 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3abm h LEU 52 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3abm h LEU 52 CO -0.01 1.04 0.10 0.03 0.09 0.00 0.00 178.44 179.69 3abm h ARG 53 N 1.03 0.60 -0.82 1.13 3.08 -0.92 -1.40 114.38 117.09 3abm h ARG 53 Ca 0.20 -0.14 0.14 0.00 0.07 0.00 0.00 59.98 60.25 3abm h ARG 53 Cb 0.43 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.31 3abm h ARG 53 CO 0.01 0.63 0.41 0.00 -1.07 0.00 0.00 179.97 179.95 3abm h ALA 54 N 0.95 1.21 -0.67 0.04 0.00 -1.05 0.17 119.26 119.91 3abm h ALA 54 Ca 0.12 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3abm h ALA 54 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3abm h ALA 54 CO -0.00 -0.09 0.38 0.00 0.00 0.00 0.00 179.25 179.54 3abm h ARG 56 N 0.91 -0.90 -0.15 0.00 9.65 0.22 -0.26 114.38 123.86 3abm h ARG 56 Ca 0.24 0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.22 3abm h ARG 56 Cb 0.01 0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 3abm h ARG 56 CO -0.04 -0.60 0.47 0.00 2.80 0.00 0.00 179.97 182.60 3abm h ARG 57 N -0.94 0.00 -0.51 0.20 3.08 -0.48 0.32 114.38 116.06 3abm h ARG 57 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3abm h ARG 57 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3abm h ARG 57 CO -0.06 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.12 3abm n LEU 58 N -3.07 3.53 -3.96 3.04 4.77 -0.01 -4.99 117.00 116.31 3abm n LEU 58 Ca 0.02 -2.10 -0.28 0.00 -0.03 0.00 0.00 56.01 53.61 3abm n LEU 58 Cb 0.56 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3abm n LEU 58 CO 0.16 0.83 -0.07 0.59 -1.33 0.00 0.00 177.39 177.56 3abm n ASN 59 N 0.92 -2.22 -3.65 -1.43 3.02 0.11 -4.92 115.26 107.09 3abm n ASN 59 Ca 0.18 -0.92 -0.28 0.00 -0.03 0.00 0.00 54.58 53.53 3abm n ASN 59 Cb 0.57 -3.38 -0.12 0.00 -0.61 0.00 0.00 39.78 36.24 3abm n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3abm s ASP 60 N -3.88 3.27 0.17 6.41 3.68 -0.33 -4.94 116.67 121.06 3abm s ASP 60 Ca 0.33 -3.02 -0.12 0.00 2.13 0.00 0.00 52.55 51.87 3abm s ASP 60 Cb -0.17 -0.98 0.06 0.00 -1.45 0.00 0.00 42.92 40.38 3abm s ASP 60 CO 0.87 -0.20 1.69 0.15 0.13 0.00 0.00 175.17 177.81 3abm h PHE 61 N 6.12 0.94 -0.50 -5.34 3.57 -1.91 -3.19 116.94 116.62 3abm h PHE 61 Ca 0.11 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3abm h PHE 61 Cb 0.88 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3abm h PHE 61 CO 0.47 0.79 0.27 0.00 -2.23 0.00 0.00 178.31 177.61 3abm h ALA 62 N 1.04 0.64 0.00 2.41 0.00 -1.98 -1.38 119.26 120.00 3abm h ALA 62 Ca 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3abm h ALA 62 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3abm h ALA 62 CO -0.00 0.16 -0.01 0.77 0.00 0.00 0.00 179.25 180.17 3abm h SER 63 N 0.66 0.00 0.44 0.00 0.02 -1.97 -2.16 113.55 110.54 3abm h SER 63 Ca 0.17 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.90 3abm h SER 63 Cb 0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3abm h SER 63 CO -0.03 0.01 -0.95 0.00 -1.14 0.00 0.00 176.83 174.72 3abm h ALA 64 N 1.99 0.38 0.15 3.77 0.00 -1.24 -1.92 119.26 122.39 3abm h ALA 64 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3abm h ALA 64 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3abm h ALA 64 CO 0.00 0.86 -0.07 0.28 0.00 0.00 0.00 179.25 180.32 3abm h VAL 65 N 0.18 1.00 -0.81 0.00 2.07 -1.26 -2.77 116.25 114.65 3abm h VAL 65 Ca -0.07 -0.91 0.18 0.00 0.82 0.00 0.00 66.70 66.72 3abm h VAL 65 Cb 1.59 1.54 -0.11 0.00 -1.52 0.00 0.00 31.29 32.79 3abm h VAL 65 CO 0.16 0.20 0.29 -0.09 0.02 0.00 0.00 177.57 178.15 3abm h ARG 66 N -0.65 0.34 -0.83 1.57 9.65 -1.47 0.34 114.38 123.33 3abm h ARG 66 Ca -0.02 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 3abm h ARG 66 Cb 0.49 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.94 3abm h ARG 66 CO 0.03 0.23 0.55 0.82 2.80 0.00 0.00 179.97 184.40 3abm h ILE 67 N 0.36 1.14 -0.42 1.20 2.04 -1.32 0.44 117.51 120.94 3abm h ILE 67 Ca 0.48 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.88 3abm h ILE 67 Cb 0.84 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3abm h ILE 67 CO -0.50 0.19 -0.15 -0.07 0.00 0.00 0.00 178.15 177.61 3abm h LEU 68 N 1.03 0.78 -0.81 1.44 3.38 -0.71 -2.44 115.31 117.98 3abm h LEU 68 Ca 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3abm h LEU 68 Cb 0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3abm h LEU 68 CO -0.10 0.94 0.47 -0.33 0.09 0.00 0.00 178.44 179.52 3abm h GLU 69 N 0.70 1.11 -0.42 1.13 5.08 -0.16 -2.55 114.58 119.47 3abm h GLU 69 Ca 0.11 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3abm h GLU 69 Cb 0.64 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3abm h GLU 69 CO 0.05 0.80 -0.30 -0.24 -1.00 0.00 0.00 179.01 178.31 3abm h VAL 70 N 1.12 1.27 -0.36 3.13 3.04 -0.78 -0.82 116.25 122.85 3abm h VAL 70 Ca 0.29 -1.47 0.07 0.00 -1.01 0.00 0.00 66.70 64.58 3abm h VAL 70 Cb -0.02 1.26 -0.06 0.00 -2.01 0.00 0.00 31.29 30.46 3abm h VAL 70 CO -0.05 0.50 -0.05 0.58 -1.01 0.00 0.00 177.57 177.54 3abm h VAL 71 N 0.78 0.68 -0.65 1.51 2.07 -1.32 0.31 116.25 119.64 3abm h VAL 71 Ca 0.08 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3abm h VAL 71 Cb 0.88 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3abm h VAL 71 CO 0.08 0.01 0.41 0.50 0.02 0.00 0.00 177.57 178.59 3abm h LYS 72 N 0.04 0.80 -0.49 1.57 3.64 -1.21 -2.99 116.57 117.95 3abm h LYS 72 Ca 0.17 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3abm h LYS 72 Cb 0.26 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3abm h LYS 72 CO -0.34 0.53 0.19 0.22 -2.27 0.00 0.00 179.45 177.79 3abm h ASP 73 N 0.83 0.67 0.02 4.20 3.58 -0.32 -2.76 116.42 122.64 3abm h ASP 73 Ca 0.25 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 3abm h ASP 73 Cb -0.03 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 3abm h ASP 73 CO -0.08 0.66 -0.01 0.11 -2.88 0.00 0.00 179.24 177.04 3abm h LYS 74 N 0.65 0.00 0.00 0.28 1.79 -0.27 -1.57 116.57 117.45 3abm h LYS 74 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3abm h LYS 74 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3abm h LYS 74 CO -0.01 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.36 3abm h ALA 75 N 1.99 1.00 -0.91 3.86 0.00 -1.43 -3.45 119.26 120.32 3abm h ALA 75 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3abm h ALA 75 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3abm h ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3abm n GLY 76 N -0.00 3.28 0.00 0.00 0.00 -0.59 -1.19 105.19 106.68 3abm n GLY 76 Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3abm n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3abm n PRO 77 N 14.00 0.39 -2.39 1.61 -0.04 -1.26 -4.53 135.00 142.79 3abm n PRO 77 Ca 0.00 0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 3abm n PRO 77 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3abm n PRO 77 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3abm n HIS 78 N -1.24 4.32 0.04 0.54 8.25 -0.33 -4.82 115.22 121.97 3abm n HIS 78 Ca 0.12 -2.93 0.21 0.00 -0.26 0.00 0.00 57.72 54.86 3abm n HIS 78 Cb 0.16 -2.53 0.73 0.00 1.12 0.00 0.00 29.99 29.48 3abm n HIS 78 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3abm h LYS 79 N 7.01 0.00 -0.00 -0.41 1.79 -1.84 -1.94 116.57 121.18 3abm h LYS 79 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 3abm h LYS 79 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 3abm h LYS 79 CO 1.56 0.00 -0.19 -0.85 -1.08 0.00 0.00 179.45 178.89 3abm n GLU 80 N -4.01 0.50 -0.04 3.15 0.00 -1.26 -4.02 120.64 114.97 3abm n GLU 80 Ca 0.09 -0.21 -0.14 0.00 0.00 0.00 0.00 57.16 56.90 3abm n GLU 80 Cb 0.64 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.49 3abm n GLU 80 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3abm h ILE 81 N 0.51 1.41 0.03 3.84 2.04 -1.74 -3.01 117.51 120.58 3abm h ILE 81 Ca 0.00 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 3abm h ILE 81 Cb 0.43 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3abm h ILE 81 CO 0.00 0.44 -0.01 0.22 0.00 0.00 0.00 178.15 178.79 3abm h TYR 82 N -0.18 -0.03 -0.77 1.37 5.03 -1.78 -1.55 116.97 119.07 3abm h TYR 82 Ca -0.00 -0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.47 3abm h TYR 82 Cb 0.81 0.01 -0.11 0.00 1.55 0.00 0.00 36.73 38.99 3abm h TYR 82 CO 0.11 0.26 0.24 -1.35 -1.32 0.00 0.00 178.16 176.10 3abm h PRO 83 N -0.33 0.32 -0.21 1.82 0.11 -1.75 -0.38 132.00 131.59 3abm h PRO 83 Ca -0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3abm h PRO 83 Cb 0.31 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3abm h PRO 83 CO 0.01 0.21 0.12 -0.92 -0.21 0.00 0.00 178.00 177.21 3abm h TYR 84 N 0.33 0.27 -0.06 0.65 3.20 -1.32 -0.90 116.97 119.14 3abm h TYR 84 Ca 0.44 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.32 3abm h TYR 84 Cb 0.75 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3abm h TYR 84 CO -0.22 0.21 -0.02 0.28 -1.64 0.00 0.00 178.16 176.77 3abm h VAL 85 N 0.25 0.93 -0.60 1.81 2.07 -0.51 -0.50 116.25 119.70 3abm h VAL 85 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 3abm h VAL 85 Cb 0.02 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3abm h VAL 85 CO -0.01 0.00 0.33 0.40 0.02 0.00 0.00 177.57 178.31 3abm h ILE 86 N -0.01 0.99 -0.80 4.57 1.08 -1.00 0.17 117.51 122.51 3abm h ILE 86 Ca 0.03 -0.22 0.15 0.00 -0.39 0.00 0.00 64.86 64.43 3abm h ILE 86 Cb 0.05 0.30 -0.10 0.00 -3.07 0.00 0.00 36.82 34.01 3abm h ILE 86 CO -0.06 0.12 0.36 -0.61 -0.69 0.00 0.00 178.15 177.26 3abm h GLN 87 N 0.63 0.49 0.00 2.37 4.15 -0.73 0.87 115.11 122.89 3abm h GLN 87 Ca 0.26 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.58 3abm h GLN 87 Cb 0.13 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3abm h GLN 87 CO -0.15 0.33 -0.33 0.93 -1.93 0.00 0.00 178.83 177.68 3abm h GLU 88 N 0.51 0.00 0.00 1.69 4.39 0.87 -3.10 114.58 118.94 3abm h GLU 88 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3abm h GLU 88 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3abm h GLU 88 CO -0.40 0.33 -0.56 -0.07 -1.16 0.00 0.00 179.01 177.15 3abm h LEU 89 N 0.00 0.00 -0.90 1.33 3.38 0.15 -3.42 115.31 115.85 3abm h LEU 89 Ca -0.00 -0.14 0.17 0.00 0.09 0.00 0.00 57.88 58.00 3abm h LEU 89 Cb 1.19 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 3abm h LEU 89 CO 0.04 0.07 -0.25 -0.09 0.09 0.00 0.00 178.44 178.30 3abm h ARG 90 N 0.00 -0.01 -0.62 1.13 9.65 -0.79 0.27 114.38 124.02 3abm h ARG 90 Ca 0.00 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.00 3abm h ARG 90 Cb 0.80 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.29 3abm h ARG 90 CO 0.00 -0.01 0.13 -1.35 2.80 0.00 0.00 179.97 181.54 3abm h PRO 91 N -0.01 0.25 -0.28 0.20 0.11 -1.84 -0.67 132.00 129.76 3abm h PRO 91 Ca 0.42 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.48 3abm h PRO 91 Cb 0.65 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3abm h PRO 91 CO -0.93 0.16 0.05 1.15 -0.21 0.00 0.00 178.00 178.22 3abm h THR 92 N 0.25 1.23 -0.63 -1.15 2.02 -0.83 0.67 112.91 114.48 3abm h THR 92 Ca 0.33 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.78 3abm h THR 92 Cb 0.49 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 3abm h THR 92 CO -0.42 0.25 0.36 -0.07 0.37 0.00 0.00 175.52 176.01 3abm h LEU 93 N 0.28 0.55 -0.00 2.58 3.38 -0.86 -0.63 115.31 120.61 3abm h LEU 93 Ca 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3abm h LEU 93 Cb 0.32 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3abm h LEU 93 CO 0.00 0.37 0.00 0.78 0.09 0.00 0.00 178.44 179.69 3abm h ASN 94 N 0.69 0.00 -0.73 -0.43 -0.26 -1.01 0.36 115.58 114.20 3abm h ASN 94 Ca 0.27 -0.15 0.06 0.00 -0.56 0.00 0.00 56.30 55.93 3abm h ASN 94 Cb 0.11 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.33 3abm h ASN 94 CO -0.15 0.15 0.48 -0.08 -1.06 0.00 0.00 177.43 176.77 3abm h GLU 95 N -0.15 0.74 -0.01 0.81 4.81 -0.22 -2.90 114.58 117.66 3abm h GLU 95 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3abm h GLU 95 Cb 0.15 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3abm h GLU 95 CO -0.00 0.49 -0.37 1.28 -0.73 0.00 0.00 179.01 179.68 3abm n LEU 96 N -4.48 1.90 -2.89 1.64 4.77 -0.30 -4.98 117.00 112.66 3abm n LEU 96 Ca 0.11 -0.78 -0.19 0.00 -0.03 0.00 0.00 56.01 55.12 3abm n LEU 96 Cb 0.23 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3abm n LEU 96 CO 0.34 0.35 0.16 0.61 -1.33 0.00 0.00 177.39 177.52 3abm n GLY 97 N 1.27 -0.27 3.64 -0.72 0.00 0.06 -4.99 105.19 104.18 3abm n GLY 97 Ca 0.08 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3abm n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abm s ILE 98 N -3.21 4.90 0.20 -0.61 1.01 -0.85 -5.05 121.20 117.59 3abm s ILE 98 Ca 0.42 1.38 -0.21 0.00 0.00 0.00 0.00 60.65 62.24 3abm s ILE 98 Cb -0.19 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 3abm s ILE 98 CO 0.53 -0.03 0.72 -0.44 0.00 0.00 0.00 174.94 175.72 3abm s SER 99 N 1.39 7.14 0.78 3.58 0.01 -1.26 -4.75 113.70 120.59 3abm s SER 99 Ca 0.31 1.46 -0.11 0.00 1.31 0.00 0.00 55.95 58.92 3abm s SER 99 Cb -0.15 -2.43 0.06 0.00 0.21 0.00 0.00 66.02 63.70 3abm s SER 99 CO 0.08 0.09 1.08 0.42 0.41 0.00 0.00 173.24 175.32 3abm s THR 100 N -1.40 3.34 0.50 1.44 -4.23 -1.26 -4.78 115.64 109.25 3abm s THR 100 Ca 0.40 0.44 0.15 0.00 -1.18 0.00 0.00 61.69 61.50 3abm s THR 100 Cb -0.18 -3.11 0.28 0.00 1.34 0.00 0.00 72.50 70.83 3abm s THR 100 CO 0.22 -0.57 2.12 -0.65 -0.54 0.00 0.00 174.62 175.20 3abm h PRO 101 N -1.05 0.10 -0.07 3.99 0.11 -1.96 -1.49 132.00 131.64 3abm h PRO 101 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3abm h PRO 101 Cb 1.25 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3abm h PRO 101 CO 0.57 0.06 0.01 0.93 -0.21 0.00 0.00 178.00 179.36 3abm h GLU 102 N 0.10 0.12 0.00 1.05 3.07 -1.93 0.22 114.58 117.22 3abm h GLU 102 Ca 0.05 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3abm h GLU 102 Cb 0.08 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3abm h GLU 102 CO -0.01 0.36 -0.03 0.93 -1.40 0.00 0.00 179.01 178.86 3abm h GLU 103 N -0.14 0.00 -0.39 2.33 5.08 -1.66 -0.95 114.58 118.86 3abm h GLU 103 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3abm h GLU 103 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3abm h GLU 103 CO 0.00 0.03 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 3abm n LEU 104 N -4.17 2.27 -1.13 1.33 4.77 -0.72 -4.94 117.00 114.41 3abm n LEU 104 Ca -0.03 -1.10 -0.15 0.00 -0.03 0.00 0.00 56.01 54.71 3abm n LEU 104 Cb 0.12 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 3abm n LEU 104 CO 0.31 0.55 -0.14 0.61 -1.33 0.00 0.00 177.39 177.39 3abm n GLY 105 N 1.20 1.43 0.00 -0.72 0.00 -0.36 -4.88 105.19 101.86 3abm n GLY 105 Ca 0.15 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3abm n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3abm n LEU 106 N -1.67 0.00 -0.12 0.99 4.77 0.77 -2.75 117.00 118.98 3abm n LEU 106 Ca -0.15 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.27 3abm n LEU 106 Cb 0.59 -0.32 0.27 0.00 -2.33 0.00 0.00 43.42 41.63 3abm n LEU 106 CO 0.22 -0.02 0.50 -0.90 -1.33 0.00 0.00 177.39 175.86 3abm n ASP 107 N -1.32 0.81 -4.56 -1.43 3.85 -1.19 -4.84 116.55 107.87 3abm n ASP 107 Ca 0.12 -0.62 -0.39 0.00 -0.71 0.00 0.00 54.79 53.19 3abm n ASP 107 Cb 0.24 0.26 -0.10 0.00 -1.35 0.00 0.00 41.12 40.17 3abm n ASP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3abm s LYS 108 N -2.77 3.74 0.00 0.11 -2.85 -1.11 -5.09 119.74 111.77 3abm s LYS 108 Ca 0.17 -0.38 0.12 0.00 -1.00 0.00 0.00 55.97 54.88 3abm s LYS 108 Cb 0.18 -3.73 0.72 0.00 -2.06 0.00 0.00 37.83 32.94 3abm s LYS 108 CO 0.63 -0.35 1.15 1.33 0.10 0.00 0.00 175.35 178.21