#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fhm s LEU 2 N 0.00 1.76 0.03 4.03 1.02 -0.39 -4.61 118.68 120.53 2fhm s LEU 2 Ca 0.00 -1.55 -0.06 0.00 0.02 0.00 0.00 54.13 52.54 2fhm s LEU 2 Cb 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 46.19 46.29 2fhm s LEU 2 CO 0.00 -0.86 0.12 -1.58 0.02 0.00 0.00 176.35 174.05 2fhm s GLN 3 N -3.82 0.59 0.34 1.70 0.74 0.19 -1.10 119.66 118.30 2fhm s GLN 3 Ca 0.34 -0.68 0.09 0.00 0.05 0.00 0.00 55.36 55.16 2fhm s GLN 3 Cb 0.05 0.23 -0.06 0.00 1.10 0.00 0.00 33.01 34.33 2fhm s GLN 3 CO 0.17 -0.15 -0.07 1.52 -0.55 0.00 0.00 175.29 176.21 2fhm s TYR 4 N -2.41 2.45 -0.00 1.67 -0.85 -0.33 -1.21 117.35 116.66 2fhm s TYR 4 Ca -0.07 -0.47 0.06 0.00 -0.52 0.00 0.00 57.07 56.08 2fhm s TYR 4 Cb -0.02 -1.39 -0.02 0.00 0.38 0.00 0.00 41.96 40.91 2fhm s TYR 4 CO -0.04 0.56 -0.19 0.50 -1.52 0.00 0.00 175.55 174.87 2fhm s ARG 5 N -3.64 1.48 0.01 -3.49 3.52 -0.04 -2.72 118.95 114.07 2fhm s ARG 5 Ca 0.33 -0.71 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 2fhm s ARG 5 Cb 0.01 -1.45 -0.01 0.00 -1.56 0.00 0.00 34.95 31.94 2fhm s ARG 5 CO 0.17 0.39 -0.10 0.42 -0.81 0.00 0.00 175.30 175.37 2fhm s ILE 6 N -0.50 0.81 -0.02 4.11 1.01 0.20 -0.85 121.20 125.96 2fhm s ILE 6 Ca 0.07 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.10 2fhm s ILE 6 Cb -0.07 -0.72 -0.00 0.00 0.01 0.00 0.00 42.46 41.67 2fhm s ILE 6 CO -0.00 0.07 -0.12 -0.63 0.00 0.00 0.00 174.94 174.25 2fhm s ILE 7 N -0.55 1.02 0.03 2.92 -1.09 -0.33 -0.90 121.20 122.30 2fhm s ILE 7 Ca 0.01 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 57.92 2fhm s ILE 7 Cb -0.06 -0.87 -0.02 0.00 -1.58 0.00 0.00 42.46 39.93 2fhm s ILE 7 CO 0.00 0.30 -0.04 0.68 -1.23 0.00 0.00 174.94 174.65 2fhm s VAL 8 N -0.05 0.23 0.05 2.92 -7.23 -0.19 -1.15 120.40 114.97 2fhm s VAL 8 Ca 0.00 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 2fhm s VAL 8 Cb -0.08 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 2fhm s VAL 8 CO 0.00 -0.46 -0.04 -0.62 -0.31 0.00 0.00 175.10 173.68 2fhm s ASP 9 N -1.46 0.54 0.00 4.85 -1.08 -0.32 -1.09 116.67 118.11 2fhm s ASP 9 Ca -0.14 -0.79 0.00 0.00 -0.52 0.00 0.00 52.55 51.10 2fhm s ASP 9 Cb -0.10 0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 2fhm s ASP 9 CO -0.01 -0.44 0.00 0.61 0.52 0.00 0.00 175.17 175.85 2fhm n GLY 10 N 0.71 0.84 2.57 2.66 0.00 -1.26 -0.56 105.19 110.15 2fhm n GLY 10 Ca -0.18 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 2fhm n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2fhm n ARG 11 N 0.00 3.16 -0.58 1.61 0.63 -0.31 -4.72 116.66 116.44 2fhm n ARG 11 Ca 0.00 -2.42 -0.08 0.00 -0.92 0.00 0.00 57.85 54.44 2fhm n ARG 11 Cb 0.00 -3.08 0.13 0.00 0.45 0.00 0.00 32.46 29.95 2fhm n ARG 11 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2fhm n VAL 12 N 4.51 1.92 -3.40 5.15 0.24 -1.25 -0.75 118.33 124.75 2fhm n VAL 12 Ca 0.62 -0.90 -0.04 0.00 -2.04 0.00 0.00 64.34 61.98 2fhm n VAL 12 Cb 0.32 -0.63 0.01 0.00 -1.47 0.00 0.00 33.84 32.08 2fhm n VAL 12 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2fhm n GLN 13 N -0.15 0.53 0.00 7.34 -0.06 -1.26 -4.59 117.38 119.19 2fhm n GLN 13 Ca 0.26 -1.08 0.00 0.00 -2.00 0.00 0.00 57.00 54.18 2fhm n GLN 13 Cb 1.00 1.33 0.00 0.00 -4.06 0.00 0.00 30.24 28.51 2fhm n GLN 13 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2fhm n GLY 14 N -0.26 1.37 0.00 1.69 0.00 -1.26 -4.67 105.19 102.06 2fhm n GLY 14 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2fhm n GLY 14 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2fhm n VAL 15 N 0.00 0.00 -2.63 1.61 3.14 -1.26 -5.04 118.33 114.15 2fhm n VAL 15 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 2fhm n VAL 15 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2fhm n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fhm n GLY 16 N -0.05 -0.49 0.34 7.55 0.00 -1.26 -4.97 105.19 106.31 2fhm n GLY 16 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 2fhm n GLY 16 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2fhm h PHE 17 N 0.97 0.94 -0.51 1.61 3.57 -1.88 -0.31 116.94 121.33 2fhm h PHE 17 Ca -0.44 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 2fhm h PHE 17 Cb 1.20 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2fhm h PHE 17 CO -0.05 0.62 0.26 0.07 -2.23 0.00 0.00 178.31 176.99 2fhm h ARG 18 N 0.99 0.70 -0.24 1.11 0.11 -1.94 -0.75 114.38 114.36 2fhm h ARG 18 Ca 0.26 -0.07 -0.06 0.00 0.10 0.00 0.00 59.98 60.21 2fhm h ARG 18 Cb -0.04 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 30.89 2fhm h ARG 18 CO -0.05 0.53 -0.07 -0.92 0.10 0.00 0.00 179.97 179.56 2fhm h TYR 19 N 0.71 0.53 -0.31 4.08 3.20 -1.73 -3.00 116.97 120.44 2fhm h TYR 19 Ca 0.18 -0.12 0.06 0.00 3.14 0.00 0.00 58.73 62.00 2fhm h TYR 19 Cb 0.05 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 2fhm h TYR 19 CO 0.00 0.70 -0.10 0.35 -1.64 0.00 0.00 178.16 177.48 2fhm h PHE 20 N 0.20 -0.22 -0.82 -3.82 3.57 -0.25 0.52 116.94 116.12 2fhm h PHE 20 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2fhm h PHE 20 Cb 0.54 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 2fhm h PHE 20 CO 0.05 -0.16 0.46 -0.39 -2.23 0.00 0.00 178.31 176.04 2fhm h VAL 21 N -0.03 1.24 0.00 1.41 -1.51 -1.20 -0.84 116.25 115.32 2fhm h VAL 21 Ca 0.15 -0.58 -0.03 0.00 -1.23 0.00 0.00 66.70 65.01 2fhm h VAL 21 Cb 0.26 0.12 -0.00 0.00 -2.13 0.00 0.00 31.29 29.54 2fhm h VAL 21 CO -0.34 0.27 -0.15 1.56 -1.23 0.00 0.00 177.57 177.68 2fhm h GLN 22 N 1.15 0.00 -0.24 5.19 1.08 -1.13 0.13 115.11 121.29 2fhm h GLN 22 Ca 0.29 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.47 2fhm h GLN 22 Cb 0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2fhm h GLN 22 CO -0.05 0.15 0.07 0.52 -0.95 0.00 0.00 178.83 178.57 2fhm h MET 23 N 0.00 0.38 -0.09 1.46 2.86 0.40 -1.52 114.93 118.42 2fhm h MET 23 Ca -0.00 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2fhm h MET 23 Cb 0.70 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2fhm h MET 23 CO 0.02 0.47 -0.25 0.93 1.06 0.00 0.00 176.91 179.15 2fhm h GLU 24 N 0.21 0.15 0.48 1.72 4.39 -0.28 0.61 114.58 121.85 2fhm h GLU 24 Ca 0.08 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2fhm h GLU 24 Cb 0.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2fhm h GLU 24 CO -0.00 0.39 -0.23 0.00 -1.16 0.00 0.00 179.01 178.01 2fhm h ALA 25 N 1.62 -0.64 -0.83 3.43 0.00 -0.64 -2.87 119.26 119.33 2fhm h ALA 25 Ca 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2fhm h ALA 25 Cb 0.51 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2fhm h ALA 25 CO 0.04 -0.85 0.42 0.22 0.00 0.00 0.00 179.25 179.08 2fhm h ASP 26 N -0.67 1.07 -0.42 0.00 3.58 -0.84 0.17 116.42 119.32 2fhm h ASP 26 Ca -0.07 -0.12 0.12 0.00 0.42 0.00 0.00 57.03 57.38 2fhm h ASP 26 Cb 0.50 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2fhm h ASP 26 CO 0.11 0.89 0.33 0.50 -2.88 0.00 0.00 179.24 178.19 2fhm h LYS 27 N 1.17 0.00 -0.04 0.28 3.11 -0.85 -0.92 116.57 119.32 2fhm h LYS 27 Ca 0.29 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.12 2fhm h LYS 27 Cb 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.32 2fhm h LYS 27 CO -0.04 0.00 -0.03 -2.13 -2.81 0.00 0.00 179.45 174.44 2fhm n ARG 28 N -4.21 1.55 -4.43 1.90 0.63 -0.79 -5.00 116.66 106.32 2fhm n ARG 28 Ca 0.07 -2.67 -0.39 0.00 -0.92 0.00 0.00 57.85 53.94 2fhm n ARG 28 Cb 0.52 -1.56 -0.07 0.00 0.45 0.00 0.00 32.46 31.80 2fhm n ARG 28 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2fhm n LYS 29 N -1.28 -1.31 -1.39 -0.14 4.76 -0.23 -4.93 118.16 113.63 2fhm n LYS 29 Ca 0.17 0.19 -0.30 0.00 -2.87 0.00 0.00 58.31 55.50 2fhm n LYS 29 Cb 0.69 -4.59 0.10 0.00 -1.84 0.00 0.00 35.03 29.39 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fhm s LEU 30 N -7.27 2.60 -0.10 -0.35 1.43 -0.12 -4.95 118.68 109.92 2fhm s LEU 30 Ca 0.64 1.47 -0.05 0.00 -1.03 0.00 0.00 54.13 55.17 2fhm s LEU 30 Cb -0.37 -4.06 0.04 0.00 0.03 0.00 0.00 46.19 41.83 2fhm s LEU 30 CO 1.00 -2.15 0.23 0.00 0.23 0.00 0.00 176.35 175.66 2fhm s ALA 31 N -3.03 -0.52 0.00 4.21 0.00 -1.15 -4.41 121.76 116.85 2fhm s ALA 31 Ca 0.61 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2fhm s ALA 31 Cb -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2fhm s ALA 31 CO 0.55 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.54 2fhm n GLY 32 N 4.13 -0.73 3.29 0.00 0.00 -0.72 -1.17 105.19 110.00 2fhm n GLY 32 Ca -0.25 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 2fhm n GLY 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2fhm s TRP 33 N -3.00 1.41 0.06 1.61 -2.14 0.49 -0.70 118.94 116.66 2fhm s TRP 33 Ca 0.00 -0.79 0.05 0.00 2.66 0.00 0.00 56.10 58.02 2fhm s TRP 33 Cb 0.00 -0.74 -0.03 0.00 -3.10 0.00 0.00 33.47 29.60 2fhm s TRP 33 CO 0.00 0.08 -0.14 0.54 -2.66 0.00 0.00 176.95 174.77 2fhm s VAL 34 N -3.31 1.11 0.06 -0.66 0.11 -0.41 -1.53 120.40 115.77 2fhm s VAL 34 Ca 0.21 -1.17 -0.11 0.00 -2.93 0.00 0.00 61.98 57.98 2fhm s VAL 34 Cb 0.03 -1.04 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2fhm s VAL 34 CO 0.04 -0.12 0.23 -0.75 -3.33 0.00 0.00 175.10 171.16 2fhm s LYS 35 N -1.47 0.79 -0.19 1.54 2.20 -0.12 -0.94 119.74 121.55 2fhm s LYS 35 Ca -0.00 -0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 54.89 2fhm s LYS 35 Cb -0.09 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 2fhm s LYS 35 CO 0.02 -0.25 -0.12 1.21 -0.36 0.00 0.00 175.35 175.85 2fhm s ASN 36 N -2.36 3.78 0.50 1.43 3.04 -1.26 -1.06 114.94 119.00 2fhm s ASN 36 Ca -0.01 -0.49 -0.19 0.00 0.04 0.00 0.00 52.86 52.20 2fhm s ASN 36 Cb 0.01 -1.61 -0.08 0.00 -1.54 0.00 0.00 41.25 38.03 2fhm s ASN 36 CO -0.06 0.01 1.02 -0.13 -3.04 0.00 0.00 177.10 174.90 2fhm s ARG 37 N 1.24 3.80 0.52 0.43 0.52 0.08 -4.82 118.95 120.72 2fhm s ARG 37 Ca 0.03 1.25 0.19 0.00 -0.52 0.00 0.00 55.73 56.68 2fhm s ARG 37 Cb -0.14 -2.10 1.33 0.00 0.52 0.00 0.00 34.95 34.56 2fhm s ARG 37 CO -0.06 -0.41 2.13 0.22 0.02 0.00 0.00 175.30 177.20 2fhm h ASP 38 N 1.36 0.00 0.43 0.23 3.58 -2.00 -1.21 116.42 118.82 2fhm h ASP 38 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2fhm h ASP 38 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2fhm h ASP 38 CO 0.59 0.05 0.00 -0.90 -2.88 0.00 0.00 179.24 176.10 2fhm n ASP 39 N -4.29 0.00 0.00 2.28 5.75 -1.26 -4.89 116.55 114.13 2fhm n ASP 39 Ca -0.03 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 2fhm n ASP 39 Cb 0.13 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 2fhm n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fhm n GLY 40 N 0.19 2.90 3.71 6.12 0.00 -0.46 -5.09 105.19 112.56 2fhm n GLY 40 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2fhm n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fhm s ARG 41 N -0.61 1.33 0.08 1.61 3.00 -1.26 -4.78 118.95 118.32 2fhm s ARG 41 Ca 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 55.73 56.69 2fhm s ARG 41 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 34.95 33.10 2fhm s ARG 41 CO 0.00 -2.23 0.25 0.08 0.00 0.00 0.00 175.30 173.40 2fhm s VAL 42 N -2.87 5.34 0.02 3.52 1.01 -0.25 -0.74 120.40 126.42 2fhm s VAL 42 Ca 0.63 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2fhm s VAL 42 Cb -0.19 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2fhm s VAL 42 CO 0.57 0.13 -0.07 -0.70 0.00 0.00 0.00 175.10 175.02 2fhm s GLU 43 N -2.51 0.54 -0.00 2.72 2.12 -0.22 -1.02 118.70 120.31 2fhm s GLU 43 Ca 0.36 -0.50 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 2fhm s GLU 43 Cb -0.13 -0.43 -0.00 0.00 0.26 0.00 0.00 34.13 33.83 2fhm s GLU 43 CO 0.27 0.10 0.03 0.42 -0.54 0.00 0.00 175.26 175.54 2fhm s ILE 44 N -0.74 0.05 -0.15 -3.70 1.01 -0.08 -0.95 121.20 116.64 2fhm s ILE 44 Ca -0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2fhm s ILE 44 Cb -0.06 -0.19 0.05 0.00 0.01 0.00 0.00 42.46 42.28 2fhm s ILE 44 CO 0.00 -0.22 0.36 -0.22 0.00 0.00 0.00 174.94 174.85 2fhm s LEU 45 N -0.68 0.08 0.04 2.97 0.20 -0.58 -0.62 118.68 120.09 2fhm s LEU 45 Ca -0.07 0.77 -0.25 0.00 0.69 0.00 0.00 54.13 55.27 2fhm s LEU 45 Cb -0.05 1.14 0.06 0.00 -0.43 0.00 0.00 46.19 46.92 2fhm s LEU 45 CO -0.00 -0.18 0.58 0.00 -0.29 0.00 0.00 176.35 176.45 2fhm s ALA 46 N 1.34 -1.50 0.32 5.97 0.00 -1.10 -0.38 121.76 126.41 2fhm s ALA 46 Ca -0.09 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 2fhm s ALA 46 Cb -0.09 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2fhm s ALA 46 CO -0.11 -0.52 0.55 -1.83 0.00 0.00 0.00 175.76 173.85 2fhm s GLU 47 N -2.37 3.55 0.00 0.00 -1.05 -0.31 -1.19 118.70 117.33 2fhm s GLU 47 Ca -0.06 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 2fhm s GLU 47 Cb -0.01 -2.65 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 2fhm s GLU 47 CO -0.01 0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.79 2fhm n GLY 48 N -1.34 -0.66 3.81 -3.83 0.00 -0.25 -2.95 105.19 99.96 2fhm n GLY 48 Ca -0.03 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 2fhm n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fhm s PRO 49 N -2.00 3.37 0.16 1.61 0.04 -1.26 -1.26 135.00 135.66 2fhm s PRO 49 Ca 0.00 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 2fhm s PRO 49 Cb 0.00 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.58 2fhm s PRO 49 CO 0.00 -0.76 1.75 1.49 0.04 0.00 0.00 177.00 179.51 2fhm h GLU 50 N 0.30 0.27 -0.85 4.56 4.81 -1.96 -1.05 114.58 120.67 2fhm h GLU 50 Ca -0.46 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 2fhm h GLU 50 Cb 1.21 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2fhm h GLU 50 CO 0.58 0.18 0.43 -0.97 -0.73 0.00 0.00 179.01 178.49 2fhm h ASN 51 N 0.27 1.09 -0.21 1.04 -0.73 -1.99 -0.20 115.58 114.85 2fhm h ASN 51 Ca 0.18 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 2fhm h ASN 51 Cb 0.17 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 2fhm h ASN 51 CO -0.20 0.90 0.01 0.00 -0.37 0.00 0.00 177.43 177.77 2fhm h ALA 52 N 1.27 0.28 -0.60 1.57 0.00 -1.70 -0.88 119.26 119.20 2fhm h ALA 52 Ca 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2fhm h ALA 52 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2fhm h ALA 52 CO -0.04 -0.01 0.30 -0.07 0.00 0.00 0.00 179.25 179.43 2fhm h LEU 53 N 0.14 0.77 -0.33 0.00 3.38 -0.91 -1.13 115.31 117.23 2fhm h LEU 53 Ca 0.06 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 2fhm h LEU 53 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2fhm h LEU 53 CO 0.01 0.67 -0.61 1.56 0.09 0.00 0.00 178.44 180.16 2fhm h GLN 54 N 0.81 0.76 -0.81 1.13 1.08 -0.99 -0.97 115.11 116.12 2fhm h GLN 54 Ca 0.21 -0.51 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 2fhm h GLN 54 Cb 0.09 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 2fhm h GLN 54 CO -0.03 1.14 0.37 0.77 -0.95 0.00 0.00 178.83 180.13 2fhm h SER 55 N 0.56 1.07 -0.29 1.46 0.02 -0.99 -1.31 113.55 114.07 2fhm h SER 55 Ca -0.00 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2fhm h SER 55 Cb 1.20 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2fhm h SER 55 CO 0.13 0.92 0.18 0.15 -1.14 0.00 0.00 176.83 177.06 2fhm h PHE 56 N 1.16 0.38 -0.70 3.45 3.04 -1.06 -1.13 116.94 122.08 2fhm h PHE 56 Ca 0.28 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.33 2fhm h PHE 56 Cb 0.14 -0.13 -0.08 0.00 2.56 0.00 0.00 35.95 38.45 2fhm h PHE 56 CO 0.02 0.28 0.32 0.28 -2.02 0.00 0.00 178.31 177.18 2fhm h VAL 57 N 0.38 0.79 -0.69 1.41 2.07 -0.49 -0.43 116.25 119.28 2fhm h VAL 57 Ca 0.11 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2fhm h VAL 57 Cb 0.00 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 2fhm h VAL 57 CO -0.02 0.10 0.35 -0.33 0.02 0.00 0.00 177.57 177.68 2fhm h GLU 58 N 0.52 0.99 -0.91 1.57 4.39 -0.93 0.38 114.58 120.58 2fhm h GLU 58 Ca 0.36 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 2fhm h GLU 58 Cb 0.43 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 2fhm h GLU 58 CO -0.31 0.77 0.57 0.00 -1.16 0.00 0.00 179.01 178.88 2fhm h ALA 59 N 1.17 1.28 0.22 3.43 0.00 0.13 0.67 119.26 126.16 2fhm h ALA 59 Ca 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2fhm h ALA 59 Cb 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2fhm h ALA 59 CO -0.03 0.63 -0.11 0.28 0.00 0.00 0.00 179.25 180.02 2fhm h VAL 60 N 1.25 0.75 -0.89 0.00 2.07 -0.85 -3.33 116.25 115.25 2fhm h VAL 60 Ca 0.33 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2fhm h VAL 60 Cb -0.08 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2fhm h VAL 60 CO -0.07 0.17 0.58 0.50 0.02 0.00 0.00 177.57 178.78 2fhm h LYS 61 N -0.84 1.11 0.00 1.57 3.64 -0.67 -0.64 116.57 120.75 2fhm h LYS 61 Ca -0.03 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2fhm h LYS 61 Cb 0.51 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2fhm h LYS 61 CO 0.05 0.73 -0.07 -0.97 -2.27 0.00 0.00 179.45 176.92 2fhm h ASN 62 N 1.14 0.00 -5.75 4.20 -1.24 -1.01 -3.42 115.58 109.50 2fhm h ASN 62 Ca 0.34 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.99 2fhm h ASN 62 Cb -0.04 0.00 0.15 0.00 0.73 0.00 0.00 38.32 39.15 2fhm h ASN 62 CO -0.09 0.07 -0.75 0.61 -1.29 0.00 0.00 177.43 175.98 2fhm n GLY 63 N -1.06 -0.40 0.36 1.57 0.00 -0.25 -4.86 105.19 100.55 2fhm n GLY 63 Ca -0.02 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2fhm n GLY 63 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2fhm h SER 64 N -2.10 0.84 -2.24 1.61 0.02 -1.79 -3.42 113.55 106.46 2fhm h SER 64 Ca -0.59 0.07 -0.19 0.00 -0.84 0.00 0.00 61.79 60.24 2fhm h SER 64 Cb 1.35 -0.09 0.10 0.00 0.14 0.00 0.00 62.40 63.90 2fhm h SER 64 CO 0.52 0.38 0.00 -2.65 -1.14 0.00 0.00 176.83 173.95 2fhm n PRO 65 N -4.67 -2.56 -0.14 3.45 -0.02 -1.26 -4.96 135.00 124.84 2fhm n PRO 65 Ca 0.21 -0.81 -0.03 0.00 -2.02 0.00 0.00 63.50 60.86 2fhm n PRO 65 Cb 0.46 -0.85 0.20 0.00 -0.02 0.00 0.00 33.50 33.29 2fhm n PRO 65 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2fhm h PHE 66 N -2.37 0.86 -3.69 6.00 -5.15 -1.97 -3.41 116.94 107.22 2fhm h PHE 66 Ca -0.20 -0.07 -0.52 0.00 -0.20 0.00 0.00 57.97 56.98 2fhm h PHE 66 Cb 0.63 -0.26 0.04 0.00 0.22 0.00 0.00 35.95 36.58 2fhm h PHE 66 CO 0.00 0.71 0.59 -1.12 -2.00 0.00 0.00 178.31 176.49 2fhm s SER 67 N -6.56 6.96 0.00 -0.68 0.01 -1.26 -5.03 113.70 107.14 2fhm s SER 67 Ca -0.10 2.46 -0.10 0.00 1.31 0.00 0.00 55.95 59.52 2fhm s SER 67 Cb 0.16 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.77 2fhm s SER 67 CO 0.80 -0.42 0.20 -1.59 0.41 0.00 0.00 173.24 172.64 2fhm s LYS 68 N -1.09 0.58 0.38 12.44 0.00 0.07 -4.49 119.74 127.63 2fhm s LYS 68 Ca 0.50 -0.37 -0.15 0.00 0.00 0.00 0.00 55.97 55.95 2fhm s LYS 68 Cb -0.36 0.25 -0.09 0.00 0.00 0.00 0.00 37.83 37.63 2fhm s LYS 68 CO 0.44 -0.15 0.81 0.08 0.00 0.00 0.00 175.35 176.53 2fhm s VAL 69 N -1.55 4.63 0.00 1.79 1.01 -1.26 -1.17 120.40 123.85 2fhm s VAL 69 Ca -0.13 1.02 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2fhm s VAL 69 Cb -0.06 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2fhm s VAL 69 CO 0.02 -0.33 0.00 0.35 0.00 0.00 0.00 175.10 175.14 2fhm n THR 70 N -0.73 0.00 -3.73 3.92 -2.24 0.28 -4.87 114.28 106.90 2fhm n THR 70 Ca 0.04 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 2fhm n THR 70 Cb 0.54 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.56 2fhm n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fhm s ASP 71 N -0.67 -0.42 0.01 3.42 2.15 -0.86 -4.99 116.67 115.32 2fhm s ASP 71 Ca 0.00 0.80 -0.01 0.00 0.43 0.00 0.00 52.55 53.77 2fhm s ASP 71 Cb 0.00 0.82 -0.01 0.00 -0.30 0.00 0.00 42.92 43.43 2fhm s ASP 71 CO 0.00 -0.16 0.01 -0.51 -0.17 0.00 0.00 175.17 174.33 2fhm s ILE 72 N 0.13 0.10 0.01 4.11 2.07 -1.26 -1.17 121.20 125.18 2fhm s ILE 72 Ca -0.01 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.45 2fhm s ILE 72 Cb -0.03 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.28 2fhm s ILE 72 CO 0.01 -0.43 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.14 2fhm s SER 73 N -1.31 0.25 0.01 4.50 0.01 -0.30 -5.01 113.70 111.84 2fhm s SER 73 Ca -0.14 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 56.87 2fhm s SER 73 Cb -0.09 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 2fhm s SER 73 CO -0.00 -0.13 -0.03 -0.69 0.41 0.00 0.00 173.24 172.79 2fhm s VAL 74 N -0.72 0.24 0.08 3.43 1.01 -1.26 -1.18 120.40 122.00 2fhm s VAL 74 Ca -0.07 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2fhm s VAL 74 Cb -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2fhm s VAL 74 CO -0.00 -0.09 -0.15 -0.89 0.00 0.00 0.00 175.10 173.97 2fhm s THR 75 N -0.47 1.19 0.06 3.92 2.01 -0.03 -5.01 115.64 117.31 2fhm s THR 75 Ca -0.03 -1.40 0.02 0.00 0.31 0.00 0.00 61.69 60.59 2fhm s THR 75 Cb -0.04 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 2fhm s THR 75 CO -0.00 -0.25 -0.07 -1.83 -0.69 0.00 0.00 174.62 171.79 2fhm s GLU 76 N -1.92 0.59 0.29 4.92 4.04 -1.26 -0.86 118.70 124.51 2fhm s GLU 76 Ca 0.01 -0.93 -0.10 0.00 0.04 0.00 0.00 54.97 53.99 2fhm s GLU 76 Cb -0.09 -0.19 0.00 0.00 0.02 0.00 0.00 34.13 33.88 2fhm s GLU 76 CO 0.02 0.01 0.51 -1.12 -1.84 0.00 0.00 175.26 172.85 2fhm s SER 77 N -2.06 0.24 0.00 0.83 0.01 -0.35 -4.99 113.70 107.38 2fhm s SER 77 Ca -0.04 -1.14 0.16 0.00 1.31 0.00 0.00 55.95 56.25 2fhm s SER 77 Cb -0.05 0.64 0.17 0.00 0.21 0.00 0.00 66.02 66.99 2fhm s SER 77 CO -0.02 -1.26 1.05 0.54 0.41 0.00 0.00 173.24 173.97 2fhm n ARG 78 N -0.46 1.42 -1.82 12.44 3.00 -1.26 -0.64 116.66 129.35 2fhm n ARG 78 Ca -0.02 -1.56 -0.37 0.00 -0.01 0.00 0.00 57.85 55.90 2fhm n ARG 78 Cb 0.62 -1.32 -0.04 0.00 0.00 0.00 0.00 32.46 31.72 2fhm n ARG 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2fhm n SER 79 N 0.90 3.28 -4.62 0.55 7.64 -1.26 -4.68 113.62 115.44 2fhm n SER 79 Ca 0.10 -2.74 -0.35 0.00 1.01 0.00 0.00 58.87 56.89 2fhm n SER 79 Cb 0.41 -1.53 0.09 0.00 -1.01 0.00 0.00 64.21 62.18 2fhm n SER 79 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2fhm n LEU 80 N 10.33 3.46 -0.01 -3.43 4.32 -1.26 -4.78 117.00 125.62 2fhm n LEU 80 Ca 0.48 0.64 -0.00 0.00 -0.02 0.00 0.00 56.01 57.11 2fhm n LEU 80 Cb 0.44 -1.41 -0.03 0.00 -1.62 0.00 0.00 43.42 40.79 2fhm n LEU 80 CO 0.83 -2.06 -0.60 -0.62 -1.22 0.00 0.00 177.39 173.72 2fhm n GLU 81 N -2.02 2.15 -1.41 3.23 1.02 -1.26 -5.00 120.64 117.34 2fhm n GLU 81 Ca 0.13 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2fhm n GLU 81 Cb 0.50 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fhm n GLY 82 N 2.56 0.38 3.76 0.62 0.00 -1.26 -5.06 105.19 106.20 2fhm n GLY 82 Ca -0.04 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 2fhm n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2fhm s HIS 83 N -2.00 3.40 -0.02 1.61 5.04 -1.26 -4.95 115.29 117.11 2fhm s HIS 83 Ca 0.00 1.59 0.02 0.00 -1.54 0.00 0.00 55.06 55.14 2fhm s HIS 83 Cb 0.00 -3.42 0.04 0.00 0.04 0.00 0.00 32.58 29.24 2fhm s HIS 83 CO 0.00 -1.01 0.82 0.72 -2.34 0.00 0.00 174.74 172.94 2fhm n HIS 84 N 1.12 0.00 -4.05 3.88 8.25 -1.26 -4.81 115.22 118.35 2fhm n HIS 84 Ca -0.01 -0.20 -0.11 0.00 -0.26 0.00 0.00 57.72 57.14 2fhm n HIS 84 Cb 0.44 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 2fhm n HIS 84 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2fhm s ARG 85 N -0.52 1.58 0.16 -0.41 1.70 -1.26 -5.05 118.95 115.15 2fhm s ARG 85 Ca 0.04 -1.43 0.00 0.00 -0.47 0.00 0.00 55.73 53.88 2fhm s ARG 85 Cb 0.04 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 2fhm s ARG 85 CO 0.00 -0.64 0.32 -0.59 -1.08 0.00 0.00 175.30 173.32 2fhm s PHE 86 N -3.81 3.49 0.03 5.89 -0.12 -1.26 -1.75 117.98 120.45 2fhm s PHE 86 Ca 0.27 0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 57.40 2fhm s PHE 86 Cb 0.01 -1.78 -0.03 0.00 -0.63 0.00 0.00 43.02 40.59 2fhm s PHE 86 CO 0.12 0.46 -0.02 -1.12 -0.05 0.00 0.00 175.22 174.62 2fhm s SER 87 N -3.03 0.33 -0.17 1.98 0.01 0.12 -4.93 113.70 108.01 2fhm s SER 87 Ca 0.37 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.91 2fhm s SER 87 Cb -0.11 0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.32 2fhm s SER 87 CO 0.28 -0.43 0.04 -0.63 0.41 0.00 0.00 173.24 172.91 2fhm s ILE 88 N -2.48 0.39 0.30 1.44 1.01 -1.26 -1.29 121.20 119.30 2fhm s ILE 88 Ca -0.06 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 2fhm s ILE 88 Cb -0.02 -0.88 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 2fhm s ILE 88 CO -0.05 -0.16 1.28 -0.69 0.00 0.00 0.00 174.94 175.33 2fhm s VAL 89 N 1.93 2.91 -0.01 2.92 1.01 -0.11 -4.90 120.40 124.13 2fhm s VAL 89 Ca 0.00 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 62.86 2fhm s VAL 89 Cb -0.16 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2fhm s VAL 89 CO -0.08 0.19 1.70 0.00 0.00 0.00 0.00 175.10 176.91 2fhm n TYR 90 N 1.25 0.08 0.00 5.22 9.36 -1.26 -4.77 117.16 127.04 2fhm n TYR 90 Ca 0.01 -0.89 0.00 0.00 3.32 0.00 0.00 57.90 60.34 2fhm n TYR 90 Cb 0.42 -0.44 0.00 0.00 -0.63 0.00 0.00 39.34 38.69 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51