#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 2.21 0.09 -0.89 1.02 -0.69 -4.65 118.68 115.77 2fhm s LEU 2 Ca 0.00 -1.68 -0.17 0.00 0.02 0.00 0.00 54.13 52.30 2fhm s LEU 2 Cb 0.00 -0.59 0.04 0.00 0.02 0.00 0.00 46.19 45.65 2fhm s LEU 2 CO 0.00 -0.89 0.42 -1.58 0.02 0.00 0.00 176.35 174.32 2fhm s GLN 3 N -3.84 1.01 0.20 1.70 0.74 0.49 -1.28 119.66 118.67 2fhm s GLN 3 Ca 0.08 -0.53 0.02 0.00 0.05 0.00 0.00 55.36 54.98 2fhm s GLN 3 Cb 0.01 0.45 -0.05 0.00 1.10 0.00 0.00 33.01 34.52 2fhm s GLN 3 CO 0.05 -0.38 0.03 1.52 -0.55 0.00 0.00 175.29 175.96 2fhm s TYR 4 N -3.17 1.30 0.00 1.67 -0.85 -0.34 -0.74 117.35 115.22 2fhm s TYR 4 Ca -0.01 -1.08 0.03 0.00 -0.52 0.00 0.00 57.07 55.49 2fhm s TYR 4 Cb 0.01 -0.74 -0.01 0.00 0.38 0.00 0.00 41.96 41.59 2fhm s TYR 4 CO -0.07 -0.26 -0.08 0.50 -1.52 0.00 0.00 175.55 174.11 2fhm s ARG 5 N -3.96 0.65 0.02 -3.49 3.52 -0.13 -2.74 118.95 112.82 2fhm s ARG 5 Ca 0.28 -0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 2fhm s ARG 5 Cb 0.07 -0.61 -0.02 0.00 -1.56 0.00 0.00 34.95 32.83 2fhm s ARG 5 CO 0.07 0.16 -0.04 0.42 -0.81 0.00 0.00 175.30 175.10 2fhm s ILE 6 N -0.31 0.27 -0.02 4.11 1.01 0.00 -0.78 121.20 125.48 2fhm s ILE 6 Ca 0.02 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.99 2fhm s ILE 6 Cb -0.04 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.10 2fhm s ILE 6 CO -0.00 -0.27 -0.04 0.27 0.00 0.00 0.00 174.94 174.90 2fhm s ILE 7 N -0.96 0.39 0.05 2.92 -0.00 -0.45 -1.08 121.20 122.07 2fhm s ILE 7 Ca -0.08 -0.12 0.01 0.00 -0.00 0.00 0.00 60.65 60.45 2fhm s ILE 7 Cb -0.07 -0.39 -0.03 0.00 -0.00 0.00 0.00 42.46 41.97 2fhm s ILE 7 CO -0.00 0.16 -0.05 0.68 -0.00 0.00 0.00 174.94 175.72 2fhm s VAL 8 N 0.46 0.36 0.05 8.37 -7.23 -0.06 -1.05 120.40 121.31 2fhm s VAL 8 Ca -0.05 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 58.66 2fhm s VAL 8 Cb -0.09 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 2fhm s VAL 8 CO -0.00 -0.69 0.07 -0.62 -0.31 0.00 0.00 175.10 173.55 2fhm s ASP 9 N -2.22 0.27 0.00 4.85 2.15 -0.49 -1.51 116.67 119.71 2fhm s ASP 9 Ca -0.02 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.25 2fhm s ASP 9 Cb -0.02 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.84 2fhm s ASP 9 CO -0.04 -0.58 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 2fhm n GLY 10 N 0.39 0.51 2.30 2.66 0.00 -1.26 -0.89 105.19 108.90 2fhm n GLY 10 Ca -0.17 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 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 2.12 0.02 1.61 3.00 -1.08 -4.67 116.66 117.66 2fhm n ARG 11 Ca 0.00 -1.25 0.08 0.00 -0.00 0.00 0.00 57.85 56.69 2fhm n ARG 11 Cb 0.00 -2.23 0.37 0.00 0.00 0.00 0.00 32.46 30.60 2fhm n ARG 11 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2fhm n VAL 12 N 3.27 0.88 -3.81 5.15 0.24 -0.82 -0.67 118.33 122.57 2fhm n VAL 12 Ca 0.45 0.22 -0.27 0.00 -2.04 0.00 0.00 64.34 62.70 2fhm n VAL 12 Cb 0.43 -0.97 -0.17 0.00 -1.47 0.00 0.00 33.84 31.67 2fhm n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2fhm s GLN 13 N -3.05 1.00 0.00 7.34 -1.52 -1.26 -4.58 119.66 117.60 2fhm s GLN 13 Ca 0.07 -0.41 0.00 0.00 -1.95 0.00 0.00 55.36 53.07 2fhm s GLN 13 Cb 0.10 -1.92 0.00 0.00 -0.22 0.00 0.00 33.01 30.97 2fhm s GLN 13 CO 0.31 -0.51 0.00 0.41 -0.25 0.00 0.00 175.29 175.26 2fhm n GLY 14 N 4.97 3.68 0.00 3.09 0.00 -1.26 -4.94 105.19 110.73 2fhm n GLY 14 Ca -0.10 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.62 2fhm n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2fhm n VAL 15 N 0.00 1.49 -0.53 1.61 0.24 -1.26 -0.83 118.33 119.05 2fhm n VAL 15 Ca 0.00 0.37 0.07 0.00 -2.04 0.00 0.00 64.34 62.74 2fhm n VAL 15 Cb 0.00 -1.26 0.21 0.00 -1.47 0.00 0.00 33.84 31.31 2fhm n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fhm n GLY 16 N -0.83 3.27 5.47 7.63 0.00 -1.25 -4.81 105.19 114.67 2fhm n GLY 16 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2fhm n GLY 16 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2fhm n PHE 17 N 0.13 0.00 0.77 1.61 7.35 -0.01 -1.18 117.46 126.12 2fhm n PHE 17 Ca 0.16 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.96 2fhm n PHE 17 Cb 0.64 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.47 2fhm n PHE 17 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2fhm n ARG 18 N 10.93 0.15 0.16 -4.13 1.85 -1.26 -4.12 116.66 120.24 2fhm n ARG 18 Ca 0.00 -0.02 0.13 0.00 -1.00 0.00 0.00 57.85 56.96 2fhm n ARG 18 Cb 0.00 -1.54 0.53 0.00 -1.05 0.00 0.00 32.46 30.40 2fhm n ARG 18 CO 0.00 0.00 0.00 0.10 -0.01 0.00 0.00 177.63 177.72 2fhm h TYR 19 N 0.00 0.00 -0.45 2.89 -0.00 -1.73 -3.22 116.97 114.46 2fhm h TYR 19 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 58.73 58.80 2fhm h TYR 19 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.29 2fhm h TYR 19 CO 0.00 0.00 0.13 0.27 -0.00 0.00 0.00 178.16 178.56 2fhm h PHE 20 N 0.00 0.22 -0.29 0.10 -0.00 -1.38 0.12 116.94 115.71 2fhm h PHE 20 Ca 0.00 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.90 2fhm h PHE 20 Cb 0.38 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 36.28 2fhm h PHE 20 CO 0.00 0.06 -0.24 -0.39 -0.00 0.00 0.00 178.31 177.74 2fhm h VAL 21 N 0.28 1.27 0.00 0.88 -1.51 -1.86 -1.25 116.25 114.06 2fhm h VAL 21 Ca 0.22 -1.28 -0.08 0.00 -1.23 0.00 0.00 66.70 64.33 2fhm h VAL 21 Cb 0.25 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 2fhm h VAL 21 CO -0.25 0.41 -0.37 -0.61 -1.23 0.00 0.00 177.57 175.52 2fhm h GLN 22 N 0.49 0.00 -0.23 5.19 5.75 -1.38 0.17 115.11 125.10 2fhm h GLN 22 Ca 0.07 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.45 2fhm h GLN 22 Cb 0.68 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.23 2fhm h GLN 22 CO 0.05 0.37 -0.35 0.00 -2.65 0.00 0.00 178.83 176.25 2fhm h MET 23 N 0.00 0.65 -0.35 1.69 -0.00 -0.34 -1.30 114.93 115.27 2fhm h MET 23 Ca -0.00 -0.39 -0.09 0.00 -0.00 0.00 0.00 59.70 59.22 2fhm h MET 23 Cb 0.73 0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.35 2fhm h MET 23 CO 0.05 1.00 -0.16 0.93 -0.00 0.00 0.00 176.91 178.72 2fhm h GLU 24 N 0.35 0.64 -0.33 -0.10 4.39 -0.71 -1.03 114.58 117.80 2fhm h GLU 24 Ca 0.02 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2fhm h GLU 24 Cb 0.94 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2fhm h GLU 24 CO 0.08 0.77 0.15 0.00 -1.16 0.00 0.00 179.01 178.86 2fhm h ALA 25 N 1.25 0.42 -0.95 3.43 0.00 -0.67 -2.45 119.26 120.29 2fhm h ALA 25 Ca 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2fhm h ALA 25 Cb 0.61 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2fhm h ALA 25 CO 0.04 -0.01 0.63 0.22 0.00 0.00 0.00 179.25 180.13 2fhm h ASP 26 N 0.39 1.08 -0.82 0.00 3.58 -0.85 -0.05 116.42 119.75 2fhm h ASP 26 Ca 0.11 -0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.60 2fhm h ASP 26 Cb 0.13 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 40.85 2fhm h ASP 26 CO -0.01 0.78 0.51 0.07 -2.88 0.00 0.00 179.24 177.70 2fhm h LYS 27 N 1.27 0.90 -0.08 0.28 2.10 -0.89 -0.82 116.57 119.34 2fhm h LYS 27 Ca 0.35 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 2fhm h LYS 27 Cb -0.12 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.00 2fhm h LYS 27 CO -0.08 0.60 0.00 0.54 -2.00 0.00 0.00 179.45 178.50 2fhm n ARG 28 N -4.64 1.41 -3.48 0.07 5.12 -0.76 -4.92 116.66 109.46 2fhm n ARG 28 Ca 0.11 -0.61 -0.24 0.00 -1.93 0.00 0.00 57.85 55.18 2fhm n ARG 28 Cb 0.17 -1.38 -0.02 0.00 -1.16 0.00 0.00 32.46 30.07 2fhm n ARG 28 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2fhm n LYS 29 N -0.19 -2.96 -1.12 5.56 5.02 -0.31 -4.91 118.16 119.26 2fhm n LYS 29 Ca 0.16 0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 56.54 2fhm n LYS 29 Cb 0.22 -5.04 0.20 0.00 -0.02 0.00 0.00 35.03 30.39 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2fhm s LEU 30 N -6.47 1.29 -0.13 -0.35 1.43 -0.17 -4.96 118.68 109.33 2fhm s LEU 30 Ca 0.43 1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 54.47 2fhm s LEU 30 Cb -0.24 -3.10 0.03 0.00 0.03 0.00 0.00 46.19 42.92 2fhm s LEU 30 CO 0.53 -3.46 0.34 0.00 0.23 0.00 0.00 176.35 174.00 2fhm s ALA 31 N -2.95 -0.85 0.00 4.21 0.00 -1.11 -4.53 121.76 116.53 2fhm s ALA 31 Ca 0.67 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2fhm s ALA 31 Cb -0.17 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2fhm s ALA 31 CO 0.58 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.58 2fhm n GLY 32 N 3.00 -0.96 3.40 0.00 0.00 -1.04 -1.27 105.19 108.32 2fhm n GLY 32 Ca -0.14 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 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 1.94 0.01 1.61 -2.14 0.58 -0.82 118.94 117.11 2fhm s TRP 33 Ca 0.00 -0.50 0.03 0.00 2.66 0.00 0.00 56.10 58.29 2fhm s TRP 33 Cb 0.00 -0.90 -0.01 0.00 -3.10 0.00 0.00 33.47 29.46 2fhm s TRP 33 CO 0.00 0.48 -0.10 0.54 -2.66 0.00 0.00 176.95 175.21 2fhm s VAL 34 N -2.81 0.74 0.26 -0.66 0.11 -0.46 -1.51 120.40 116.06 2fhm s VAL 34 Ca 0.26 -0.60 -0.07 0.00 -2.93 0.00 0.00 61.98 58.64 2fhm s VAL 34 Cb -0.02 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 2fhm s VAL 34 CO 0.10 0.07 0.39 -0.54 -3.33 0.00 0.00 175.10 171.78 2fhm s LYS 35 N -0.59 1.54 -0.20 1.54 1.02 -0.22 -1.30 119.74 121.52 2fhm s LYS 35 Ca 0.01 -1.46 0.01 0.00 0.02 0.00 0.00 55.97 54.55 2fhm s LYS 35 Cb -0.05 0.41 0.04 0.00 -0.52 0.00 0.00 37.83 37.71 2fhm s LYS 35 CO 0.00 -0.61 -0.11 1.21 -0.92 0.00 0.00 175.35 174.92 2fhm s ASN 36 N -3.10 3.41 0.53 2.83 3.04 -0.74 -1.03 114.94 119.89 2fhm s ASN 36 Ca 0.29 -0.89 -0.18 0.00 0.04 0.00 0.00 52.86 52.12 2fhm s ASN 36 Cb 0.01 -1.27 -0.06 0.00 -1.54 0.00 0.00 41.25 38.39 2fhm s ASN 36 CO 0.12 -0.13 1.04 -0.13 -3.04 0.00 0.00 177.10 174.95 2fhm s ARG 37 N 1.37 3.63 0.54 0.43 0.52 -0.04 -4.03 118.95 121.38 2fhm s ARG 37 Ca -0.01 1.22 0.20 0.00 -0.52 0.00 0.00 55.73 56.63 2fhm s ARG 37 Cb -0.16 -2.08 1.43 0.00 0.52 0.00 0.00 34.95 34.67 2fhm s ARG 37 CO -0.08 -0.56 2.18 0.22 0.02 0.00 0.00 175.30 177.08 2fhm h ASP 38 N 0.99 0.00 0.13 0.23 3.58 -1.93 -0.94 116.42 118.48 2fhm h ASP 38 Ca -0.48 0.00 -0.01 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 0.00 -0.07 -0.78 -2.88 0.00 0.00 179.24 176.10 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.04 -3.46 116.42 116.78 2fhm h ASP 39 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2fhm h ASP 39 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2fhm h ASP 39 CO 0.00 0.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 2fhm n GLY 40 N -1.14 1.08 3.73 -0.78 0.00 -0.36 -5.12 105.19 102.60 2fhm n GLY 40 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.41 0.35 1.61 1.81 -1.26 -4.73 118.95 119.14 2fhm s ARG 41 Ca 0.00 1.94 -0.17 0.00 -1.72 0.00 0.00 55.73 55.77 2fhm s ARG 41 Cb 0.00 -1.84 -0.10 0.00 -0.45 0.00 0.00 34.95 32.56 2fhm s ARG 41 CO 0.00 -1.67 0.80 0.08 -0.68 0.00 0.00 175.30 173.83 2fhm s VAL 42 N -1.63 4.58 0.04 3.52 1.01 -0.57 -0.86 120.40 126.49 2fhm s VAL 42 Ca 0.79 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.97 2fhm s VAL 42 Cb -0.34 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2fhm s VAL 42 CO 0.41 -0.20 -0.16 -0.70 0.00 0.00 0.00 175.10 174.44 2fhm s GLU 43 N -2.98 1.11 0.03 2.72 2.12 -0.20 -0.88 118.70 120.62 2fhm s GLU 43 Ca 0.56 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 55.11 2fhm s GLU 43 Cb -0.10 -1.16 -0.02 0.00 0.26 0.00 0.00 34.13 33.11 2fhm s GLU 43 CO 0.16 0.29 -0.07 0.42 -0.54 0.00 0.00 175.26 175.53 2fhm s ILE 44 N -0.79 0.48 -0.02 -3.70 1.01 -0.24 -1.06 121.20 116.89 2fhm s ILE 44 Ca 0.04 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 2fhm s ILE 44 Cb -0.08 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.89 2fhm s ILE 44 CO 0.01 -0.21 0.05 -0.22 0.00 0.00 0.00 174.94 174.58 2fhm s LEU 45 N -1.06 1.69 0.24 2.97 2.96 -0.57 -0.82 118.68 124.09 2fhm s LEU 45 Ca -0.06 0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 53.73 2fhm s LEU 45 Cb -0.07 0.15 0.03 0.00 0.50 0.00 0.00 46.19 46.80 2fhm s LEU 45 CO 0.00 -0.03 0.78 0.00 -1.32 0.00 0.00 176.35 175.77 2fhm s ALA 46 N 0.19 -1.36 0.18 5.97 0.00 -1.11 -0.31 121.76 125.32 2fhm s ALA 46 Ca -0.01 -0.14 0.10 0.00 0.00 0.00 0.00 51.96 51.91 2fhm s ALA 46 Cb -0.02 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2fhm s ALA 46 CO -0.01 -1.02 -0.21 -1.83 0.00 0.00 0.00 175.76 172.70 2fhm s GLU 47 N -3.74 1.38 0.00 0.00 -1.05 -0.39 -1.20 118.70 113.70 2fhm s GLU 47 Ca 0.11 -1.46 0.00 0.00 -0.15 0.00 0.00 54.97 53.47 2fhm s GLU 47 Cb -0.04 -1.55 0.00 0.00 -0.44 0.00 0.00 34.13 32.10 2fhm s GLU 47 CO 0.05 0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.99 2fhm n GLY 48 N 0.27 -0.99 3.79 -3.83 0.00 -0.41 -2.75 105.19 101.27 2fhm n GLY 48 Ca -0.13 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 2.93 0.18 1.61 0.04 -1.26 -1.70 135.00 134.80 2fhm s PRO 49 Ca 0.00 1.20 -0.13 0.00 0.04 0.00 0.00 61.00 62.11 2fhm s PRO 49 Cb 0.00 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.72 2fhm s PRO 49 CO 0.00 -1.12 1.74 1.49 0.04 0.00 0.00 177.00 179.16 2fhm h GLU 50 N -0.14 0.32 -0.66 4.56 4.81 -1.97 -1.21 114.58 120.29 2fhm h GLU 50 Ca -0.46 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 2fhm h GLU 50 Cb 1.23 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2fhm h GLU 50 CO 0.55 0.21 0.21 -0.97 -0.73 0.00 0.00 179.01 178.28 2fhm h ASN 51 N 0.33 0.93 -0.17 1.04 -0.73 -1.99 -0.21 115.58 114.78 2fhm h ASN 51 Ca 0.23 -0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 2fhm h ASN 51 Cb 0.25 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 2fhm h ASN 51 CO -0.24 0.87 0.01 0.00 -0.37 0.00 0.00 177.43 177.70 2fhm h ALA 52 N 1.25 0.23 -0.14 1.57 0.00 -1.68 -0.87 119.26 119.62 2fhm h ALA 52 Ca 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2fhm h ALA 52 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2fhm h ALA 52 CO -0.01 -0.08 0.08 -0.07 0.00 0.00 0.00 179.25 179.17 2fhm h LEU 53 N 0.06 0.17 -0.28 0.00 3.38 -0.97 -1.01 115.31 116.66 2fhm h LEU 53 Ca 0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2fhm h LEU 53 Cb 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2fhm h LEU 53 CO 0.01 0.18 0.04 1.56 0.09 0.00 0.00 178.44 180.31 2fhm h GLN 54 N 0.15 0.47 -0.77 1.13 1.08 -1.03 -0.38 115.11 115.75 2fhm h GLN 54 Ca 0.05 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 2fhm h GLN 54 Cb 0.04 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 2fhm h GLN 54 CO -0.01 0.58 0.31 0.77 -0.95 0.00 0.00 178.83 179.54 2fhm h SER 55 N 0.28 1.06 -0.19 1.46 0.02 -1.08 -1.09 113.55 114.02 2fhm h SER 55 Ca 0.08 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2fhm h SER 55 Cb 0.34 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2fhm h SER 55 CO 0.01 0.94 0.07 0.15 -1.14 0.00 0.00 176.83 176.86 2fhm h PHE 56 N 1.12 0.14 -0.95 3.45 3.57 -1.02 -1.31 116.94 121.93 2fhm h PHE 56 Ca 0.26 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.84 2fhm h PHE 56 Cb 0.21 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 2fhm h PHE 56 CO 0.02 0.07 0.61 0.28 -2.23 0.00 0.00 178.31 177.06 2fhm h VAL 57 N 0.17 1.06 -0.65 1.41 2.07 -0.36 0.03 116.25 119.98 2fhm h VAL 57 Ca 0.08 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2fhm h VAL 57 Cb 0.04 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.65 2fhm h VAL 57 CO -0.07 0.20 0.27 -0.33 0.02 0.00 0.00 177.57 177.66 2fhm h GLU 58 N 1.09 0.96 -0.57 1.57 5.08 -0.89 0.30 114.58 122.12 2fhm h GLU 58 Ca 0.42 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2fhm h GLU 58 Cb 0.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2fhm h GLU 58 CO -0.18 0.79 0.30 0.00 -1.00 0.00 0.00 179.01 178.93 2fhm h ALA 59 N 1.12 0.73 0.78 3.43 0.00 0.00 0.16 119.26 125.48 2fhm h ALA 59 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2fhm h ALA 59 Cb 0.18 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2fhm h ALA 59 CO -0.02 0.26 -0.37 0.28 0.00 0.00 0.00 179.25 179.40 2fhm h VAL 60 N 0.77 0.23 -0.75 0.00 2.07 -0.87 -2.70 116.25 115.01 2fhm h VAL 60 Ca 0.20 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.73 2fhm h VAL 60 Cb 0.06 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 2fhm h VAL 60 CO -0.03 0.00 0.48 0.50 0.02 0.00 0.00 177.57 178.54 2fhm h LYS 61 N -1.05 0.93 0.00 1.57 3.64 -0.70 0.06 116.57 121.03 2fhm h LYS 61 Ca -0.11 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2fhm h LYS 61 Cb 0.80 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2fhm h LYS 61 CO 0.17 0.62 -0.17 -0.97 -2.27 0.00 0.00 179.45 176.83 2fhm h ASN 62 N 0.96 0.00 -5.87 4.20 -1.24 -1.03 -3.44 115.58 109.17 2fhm h ASN 62 Ca 0.29 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 56.92 2fhm h ASN 62 Cb -0.05 0.00 0.11 0.00 0.73 0.00 0.00 38.32 39.12 2fhm h ASN 62 CO -0.09 0.17 -0.80 0.61 -1.29 0.00 0.00 177.43 176.03 2fhm n GLY 63 N -0.41 -0.33 0.16 1.57 0.00 0.01 -4.87 105.19 101.32 2fhm n GLY 63 Ca -0.01 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.88 -0.29 -3.14 1.61 0.02 -1.81 -3.44 113.55 104.61 2fhm h SER 64 Ca -0.60 0.02 -0.27 0.00 -0.84 0.00 0.00 61.79 60.10 2fhm h SER 64 Cb 1.35 0.10 0.11 0.00 0.14 0.00 0.00 62.40 64.10 2fhm h SER 64 CO 0.53 -0.18 0.26 -0.81 -1.14 0.00 0.00 176.83 175.49 2fhm n PRO 65 N -5.23 -0.91 -4.09 3.45 -0.04 -1.26 -5.11 135.00 121.80 2fhm n PRO 65 Ca -0.08 -1.30 -0.27 0.00 -0.04 0.00 0.00 63.50 61.82 2fhm n PRO 65 Cb 0.15 -0.88 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 2fhm n PRO 65 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2fhm s PHE 66 N -2.82 3.12 1.22 0.54 0.40 -1.26 -4.44 117.98 114.74 2fhm s PHE 66 Ca 0.48 -0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.64 2fhm s PHE 66 Cb -0.01 -1.51 0.30 0.00 0.51 0.00 0.00 43.02 42.31 2fhm s PHE 66 CO 0.34 0.52 1.01 -1.12 0.70 0.00 0.00 175.22 176.66 2fhm s SER 67 N -3.00 0.57 0.13 1.36 0.01 -1.26 -3.74 113.70 107.76 2fhm s SER 67 Ca 0.30 1.36 0.02 0.00 1.31 0.00 0.00 55.95 58.94 2fhm s SER 67 Cb -0.10 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2fhm s SER 67 CO 0.23 -4.43 -0.04 -0.75 0.41 0.00 0.00 173.24 168.66 2fhm s LYS 68 N -4.57 0.93 0.05 12.44 2.20 0.16 -4.89 119.74 126.06 2fhm s LYS 68 Ca 0.68 -1.41 0.06 0.00 -0.36 0.00 0.00 55.97 54.94 2fhm s LYS 68 Cb -0.23 -0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 35.85 2fhm s LYS 68 CO 0.64 -0.06 -0.16 0.08 -0.36 0.00 0.00 175.35 175.49 2fhm s VAL 69 N -3.65 1.26 0.00 4.02 1.01 -1.26 -1.95 120.40 119.84 2fhm s VAL 69 Ca 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2fhm s VAL 69 Cb 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2fhm s VAL 69 CO -0.01 0.01 0.08 0.35 0.00 0.00 0.00 175.10 175.52 2fhm n THR 70 N 1.76 0.00 -3.72 3.92 -2.24 -0.07 -4.53 114.28 109.39 2fhm n THR 70 Ca -0.18 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2fhm n THR 70 Cb 0.54 1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.18 -0.41 -0.02 3.42 2.15 -0.70 -4.98 116.67 115.94 2fhm s ASP 71 Ca 0.00 0.73 -0.07 0.00 0.43 0.00 0.00 52.55 53.64 2fhm s ASP 71 Cb 0.00 0.77 0.01 0.00 -0.30 0.00 0.00 42.92 43.40 2fhm s ASP 71 CO 0.00 -0.21 0.15 -0.51 -0.17 0.00 0.00 175.17 174.43 2fhm s ILE 72 N -0.07 0.06 0.01 4.11 2.07 -1.26 -1.40 121.20 124.71 2fhm s ILE 72 Ca -0.03 -0.48 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 2fhm s ILE 72 Cb -0.03 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.16 2fhm s ILE 72 CO 0.02 -0.26 -0.06 -0.44 -1.91 0.00 0.00 174.94 172.28 2fhm s SER 73 N -0.94 0.68 0.02 4.50 0.01 -0.22 -5.01 113.70 112.74 2fhm s SER 73 Ca -0.10 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2fhm s SER 73 Cb -0.06 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 2fhm s SER 73 CO 0.01 -0.02 -0.03 -0.69 0.41 0.00 0.00 173.24 172.92 2fhm s VAL 74 N -0.50 0.20 0.00 3.43 1.01 -1.26 -1.34 120.40 121.93 2fhm s VAL 74 Ca -0.02 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2fhm s VAL 74 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2fhm s VAL 74 CO -0.00 -0.27 -0.17 -0.89 0.00 0.00 0.00 175.10 173.77 2fhm s THR 75 N -0.90 1.36 -0.01 3.92 2.01 0.04 -5.01 115.64 117.07 2fhm s THR 75 Ca -0.08 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.12 2fhm s THR 75 Cb -0.06 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 2fhm s THR 75 CO -0.00 0.31 -0.11 -0.70 -0.69 0.00 0.00 174.62 173.43 2fhm s GLU 76 N -0.60 0.86 0.32 4.92 2.12 -1.26 -0.96 118.70 124.09 2fhm s GLU 76 Ca 0.06 -0.38 -0.06 0.00 0.36 0.00 0.00 54.97 54.95 2fhm s GLU 76 Cb -0.07 -0.83 0.00 0.00 0.26 0.00 0.00 34.13 33.49 2fhm s GLU 76 CO -0.00 0.23 0.48 -1.12 -0.54 0.00 0.00 175.26 174.31 2fhm s SER 77 N -0.24 0.54 -0.00 -1.70 0.01 0.08 -4.98 113.70 107.41 2fhm s SER 77 Ca 0.04 -1.31 0.01 0.00 1.31 0.00 0.00 55.95 55.99 2fhm s SER 77 Cb -0.04 0.65 0.01 0.00 0.21 0.00 0.00 66.02 66.84 2fhm s SER 77 CO -0.00 -1.27 0.89 -2.11 0.41 0.00 0.00 173.24 171.15 2fhm n ARG 78 N -0.50 0.06 0.22 12.44 0.00 -1.26 -0.38 116.66 127.24 2fhm n ARG 78 Ca -0.00 -0.93 0.07 0.00 -0.00 0.00 0.00 57.85 56.98 2fhm n ARG 78 Cb 0.62 -0.53 0.49 0.00 -0.00 0.00 0.00 32.46 33.04 2fhm n ARG 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2fhm h SER 79 N 0.00 0.00 -3.48 2.89 0.02 -1.94 -3.46 113.55 107.57 2fhm h SER 79 Ca 0.00 0.00 0.31 0.00 -0.84 0.00 0.00 61.79 61.26 2fhm h SER 79 Cb 1.29 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.73 2fhm h SER 79 CO 0.00 0.27 -0.58 0.18 -1.14 0.00 0.00 176.83 175.56 2fhm n LEU 80 N -3.88 -0.65 0.00 5.07 4.77 -1.26 -4.98 117.00 116.07 2fhm n LEU 80 Ca -0.02 1.45 0.00 0.00 -0.03 0.00 0.00 56.01 57.42 2fhm n LEU 80 Cb 0.35 -3.70 0.00 0.00 -2.33 0.00 0.00 43.42 37.74 2fhm n LEU 80 CO 0.35 -2.85 0.00 -1.84 -1.33 0.00 0.00 177.39 171.72 2fhm n GLU 81 N -3.81 1.15 -1.00 3.23 0.28 -1.26 -5.05 120.64 114.18 2fhm n GLU 81 Ca -0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2fhm n GLU 81 Cb 0.55 -0.10 -0.00 0.00 1.43 0.00 0.00 31.44 33.32 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2fhm n GLY 82 N 0.00 0.44 3.69 -1.84 0.00 -1.26 -5.01 105.19 101.21 2fhm n GLY 82 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2fhm n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fhm s HIS 83 N -2.00 2.67 -0.09 1.61 4.02 -1.26 -4.84 115.29 115.40 2fhm s HIS 83 Ca 0.00 0.53 0.13 0.00 1.02 0.00 0.00 55.06 56.74 2fhm s HIS 83 Cb 0.00 -3.86 0.26 0.00 -1.02 0.00 0.00 32.58 27.96 2fhm s HIS 83 CO 0.00 -3.35 1.13 0.72 1.02 0.00 0.00 174.74 174.26 2fhm n HIS 84 N 5.22 0.00 -3.85 1.40 8.25 -1.26 -4.78 115.22 120.20 2fhm n HIS 84 Ca 0.15 -0.73 -0.09 0.00 -0.26 0.00 0.00 57.72 56.78 2fhm n HIS 84 Cb 0.41 -0.14 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 2fhm n HIS 84 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2fhm s ARG 85 N -1.63 0.96 -0.00 -0.41 1.81 -1.26 -5.07 118.95 113.35 2fhm s ARG 85 Ca 0.25 -0.97 0.01 0.00 -1.72 0.00 0.00 55.73 53.29 2fhm s ARG 85 Cb 0.24 0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 35.07 2fhm s ARG 85 CO -0.04 -0.33 0.04 -0.06 -0.68 0.00 0.00 175.30 174.24 2fhm s PHE 86 N -3.88 3.18 0.03 -0.53 0.40 -1.26 -2.51 117.98 113.42 2fhm s PHE 86 Ca 0.08 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.56 2fhm s PHE 86 Cb 0.04 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 2fhm s PHE 86 CO -0.08 0.51 -0.05 -1.12 0.70 0.00 0.00 175.22 175.18 2fhm s SER 87 N -1.66 0.50 -0.03 1.36 0.01 -0.00 -4.97 113.70 108.92 2fhm s SER 87 Ca 0.21 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2fhm s SER 87 Cb -0.12 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.21 2fhm s SER 87 CO 0.12 -0.28 -0.04 -0.63 0.41 0.00 0.00 173.24 172.83 2fhm s ILE 88 N -1.57 0.41 0.08 1.44 1.01 -1.26 -1.35 121.20 119.96 2fhm s ILE 88 Ca -0.12 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.44 2fhm s ILE 88 Cb -0.09 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 2fhm s ILE 88 CO -0.01 0.17 -0.07 -0.69 0.00 0.00 0.00 174.94 174.34 2fhm s VAL 89 N 0.57 0.67 0.01 2.92 1.01 -0.42 -4.95 120.40 120.20 2fhm s VAL 89 Ca -0.07 -1.69 -0.25 0.00 0.00 0.00 0.00 61.98 59.98 2fhm s VAL 89 Cb -0.10 -1.38 -0.15 0.00 0.00 0.00 0.00 36.38 34.75 2fhm s VAL 89 CO -0.00 -0.72 1.12 0.22 0.00 0.00 0.00 175.10 175.71 2fhm h TYR 90 N 3.41 -0.64 0.00 5.22 3.20 -1.92 -3.37 116.97 122.87 2fhm h TYR 90 Ca -0.36 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.50 2fhm h TYR 90 Cb 1.18 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.66 2fhm h TYR 90 CO 0.61 -0.32 0.00 0.43 -1.64 0.00 0.00 178.16 177.24