#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 0.92 0.04 4.03 1.02 -0.07 -4.66 118.68 119.95 2fhm s LEU 2 Ca 0.00 -1.45 0.03 0.00 0.02 0.00 0.00 54.13 52.73 2fhm s LEU 2 Cb 0.00 1.60 -0.02 0.00 0.02 0.00 0.00 46.19 47.79 2fhm s LEU 2 CO 0.00 -1.33 -0.09 -1.58 0.02 0.00 0.00 176.35 173.37 2fhm s GLN 3 N -2.99 0.59 0.32 1.70 0.74 0.07 -1.52 119.66 118.57 2fhm s GLN 3 Ca 0.29 -0.66 0.09 0.00 0.05 0.00 0.00 55.36 55.13 2fhm s GLN 3 Cb -0.01 -0.45 -0.05 0.00 1.10 0.00 0.00 33.01 33.60 2fhm s GLN 3 CO 0.19 0.10 0.05 1.52 -0.55 0.00 0.00 175.29 176.60 2fhm s TYR 4 N -1.05 2.63 -0.04 1.67 -0.85 -0.14 -1.41 117.35 118.16 2fhm s TYR 4 Ca -0.05 -0.37 0.01 0.00 -0.52 0.00 0.00 57.07 56.13 2fhm s TYR 4 Cb -0.08 -1.48 0.02 0.00 0.38 0.00 0.00 41.96 40.80 2fhm s TYR 4 CO 0.01 0.46 -0.05 1.03 -1.52 0.00 0.00 175.55 175.48 2fhm s ARG 5 N -3.75 0.80 0.01 -3.49 0.52 0.15 -2.88 118.95 110.30 2fhm s ARG 5 Ca 0.35 -0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.46 2fhm s ARG 5 Cb -0.02 -0.80 -0.01 0.00 0.52 0.00 0.00 34.95 34.64 2fhm s ARG 5 CO 0.21 -0.05 -0.06 0.42 0.02 0.00 0.00 175.30 175.83 2fhm s ILE 6 N 0.77 0.46 -0.03 1.52 1.01 -0.14 -0.75 121.20 124.05 2fhm s ILE 6 Ca -0.10 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2fhm s ILE 6 Cb -0.13 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 41.91 2fhm s ILE 6 CO 0.00 -0.01 -0.09 -0.63 0.00 0.00 0.00 174.94 174.21 2fhm s ILE 7 N -0.46 0.82 -0.01 2.92 -1.09 -0.52 -0.91 121.20 121.95 2fhm s ILE 7 Ca -0.01 -0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 57.97 2fhm s ILE 7 Cb -0.04 -0.74 0.01 0.00 -1.58 0.00 0.00 42.46 40.10 2fhm s ILE 7 CO -0.00 0.26 0.15 0.68 -1.23 0.00 0.00 174.94 174.80 2fhm s VAL 8 N 0.29 0.07 0.05 2.92 -7.23 -0.01 -0.94 120.40 115.55 2fhm s VAL 8 Ca -0.05 -0.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 2fhm s VAL 8 Cb -0.10 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 2fhm s VAL 8 CO 0.01 -0.30 -0.05 -0.62 -0.31 0.00 0.00 175.10 173.83 2fhm s ASP 9 N -1.09 0.68 0.00 4.85 2.15 -0.44 -0.55 116.67 122.27 2fhm s ASP 9 Ca -0.12 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.07 2fhm s ASP 9 Cb -0.06 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.67 2fhm s ASP 9 CO 0.01 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 2fhm n GLY 10 N 0.70 0.32 3.56 2.66 0.00 -1.26 -0.41 105.19 110.76 2fhm n GLY 10 Ca -0.18 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 2fhm n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fhm s ARG 11 N -2.00 3.39 -0.00 1.61 3.52 -0.43 -4.60 118.95 120.43 2fhm s ARG 11 Ca 0.00 -0.95 0.00 0.00 -0.13 0.00 0.00 55.73 54.65 2fhm s ARG 11 Cb 0.00 -5.29 0.01 0.00 -1.56 0.00 0.00 34.95 28.10 2fhm s ARG 11 CO 0.00 -2.43 0.77 1.33 -0.81 0.00 0.00 175.30 174.16 2fhm n VAL 12 N 7.07 0.53 -3.81 7.11 0.24 -1.26 -1.10 118.33 127.11 2fhm n VAL 12 Ca 0.34 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 2fhm n VAL 12 Cb 0.50 0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 33.48 2fhm n VAL 12 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2fhm s GLN 13 N -0.55 0.32 0.00 7.34 2.00 -1.18 -3.62 119.66 123.97 2fhm s GLN 13 Ca 0.01 0.10 0.00 0.00 -2.00 0.00 0.00 55.36 53.47 2fhm s GLN 13 Cb 0.01 0.15 0.00 0.00 0.80 0.00 0.00 33.01 33.96 2fhm s GLN 13 CO 0.00 -0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.14 2fhm n GLY 14 N 2.51 2.77 3.70 2.59 0.00 -1.26 -4.60 105.19 110.91 2fhm n GLY 14 Ca -0.15 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2fhm n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fhm s VAL 15 N -1.93 2.44 0.00 1.61 1.01 -1.26 -1.06 120.40 121.21 2fhm s VAL 15 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2fhm s VAL 15 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2fhm s VAL 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2fhm n GLY 16 N 4.06 1.13 0.27 4.51 0.00 -1.26 -4.70 105.19 109.20 2fhm n GLY 16 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 2fhm n GLY 16 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2fhm h PHE 17 N 0.00 0.00 0.00 1.61 0.04 -1.69 0.10 116.94 117.00 2fhm h PHE 17 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2fhm h PHE 17 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2fhm h PHE 17 CO 0.00 0.09 -1.39 2.89 -0.60 0.00 0.00 178.31 179.31 2fhm n ARG 18 N -3.45 0.62 0.23 1.51 1.85 -0.23 -3.12 116.66 114.07 2fhm n ARG 18 Ca -0.01 0.13 0.10 0.00 -1.00 0.00 0.00 57.85 57.06 2fhm n ARG 18 Cb 0.24 -1.77 0.55 0.00 -1.05 0.00 0.00 32.46 30.44 2fhm n ARG 18 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2fhm h TYR 19 N 0.00 0.00 -0.83 2.89 5.03 -1.06 -3.31 116.97 119.69 2fhm h TYR 19 Ca -0.11 0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.39 2fhm h TYR 19 Cb 1.35 0.00 -0.12 0.00 1.55 0.00 0.00 36.73 39.51 2fhm h TYR 19 CO 0.00 0.22 0.31 0.27 -1.32 0.00 0.00 178.16 177.63 2fhm h PHE 20 N 0.00 0.51 -0.62 -3.82 -0.00 -1.45 0.18 116.94 111.74 2fhm h PHE 20 Ca -0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 57.97 57.95 2fhm h PHE 20 Cb 0.56 -0.09 -0.03 0.00 -0.00 0.00 0.00 35.95 36.39 2fhm h PHE 20 CO 0.00 -0.05 0.17 -0.39 -0.00 0.00 0.00 178.31 178.04 2fhm h VAL 21 N 0.36 1.24 0.00 0.88 -1.51 -1.89 -1.51 116.25 113.83 2fhm h VAL 21 Ca 0.50 -0.86 -0.05 0.00 -1.23 0.00 0.00 66.70 65.06 2fhm h VAL 21 Cb 0.90 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 2fhm h VAL 21 CO -0.51 0.33 -0.24 1.56 -1.23 0.00 0.00 177.57 177.47 2fhm h GLN 22 N 0.92 0.00 0.33 5.19 1.08 -0.91 0.23 115.11 121.95 2fhm h GLN 22 Ca 0.20 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2fhm h GLN 22 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2fhm h GLN 22 CO -0.00 0.24 -0.16 0.52 -0.95 0.00 0.00 178.83 178.48 2fhm h MET 23 N 0.00 -0.43 -0.70 1.46 2.86 -0.56 -1.30 114.93 116.26 2fhm h MET 23 Ca -0.00 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2fhm h MET 23 Cb 0.88 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 2fhm h MET 23 CO 0.03 -0.23 0.42 0.93 1.06 0.00 0.00 176.91 179.12 2fhm h GLU 24 N -0.53 0.94 0.35 1.72 4.39 -0.65 -0.36 114.58 120.45 2fhm h GLU 24 Ca -0.05 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2fhm h GLU 24 Cb 0.40 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2fhm h GLU 24 CO 0.08 0.66 -0.17 0.00 -1.16 0.00 0.00 179.01 178.41 2fhm h ALA 25 N 1.51 -0.47 -0.30 3.43 0.00 -0.53 -1.09 119.26 121.81 2fhm h ALA 25 Ca 0.25 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2fhm h ALA 25 Cb -0.04 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2fhm h ALA 25 CO -0.05 -0.75 0.18 0.22 0.00 0.00 0.00 179.25 178.85 2fhm h ASP 26 N -0.51 0.30 -0.23 0.00 3.58 -0.85 0.76 116.42 119.46 2fhm h ASP 26 Ca -0.05 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.45 2fhm h ASP 26 Cb 0.38 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2fhm h ASP 26 CO 0.08 0.22 0.16 0.50 -2.88 0.00 0.00 179.24 177.32 2fhm h LYS 27 N 0.37 0.08 -0.67 0.28 3.11 -0.99 -1.19 116.57 117.57 2fhm h LYS 27 Ca 0.11 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 2fhm h LYS 27 Cb -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 2fhm h LYS 27 CO -0.04 0.05 0.00 0.54 -2.81 0.00 0.00 179.45 177.19 2fhm n ARG 28 N -4.48 2.88 -2.83 1.90 1.74 -0.42 -4.96 116.66 110.49 2fhm n ARG 28 Ca 0.02 -2.61 -0.16 0.00 -0.77 0.00 0.00 57.85 54.33 2fhm n ARG 28 Cb 0.26 -1.57 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2fhm n ARG 28 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2fhm n LYS 29 N 1.40 -2.84 -1.73 5.56 4.01 -0.37 -4.86 118.16 119.33 2fhm n LYS 29 Ca 0.23 0.53 -0.30 0.00 -0.51 0.00 0.00 58.31 58.26 2fhm n LYS 29 Cb 0.63 -5.17 0.08 0.00 -0.51 0.00 0.00 35.03 30.06 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2fhm s LEU 30 N -5.97 2.64 -0.08 -0.35 1.43 0.12 -4.92 118.68 111.56 2fhm s LEU 30 Ca 0.17 1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 54.35 2fhm s LEU 30 Cb -0.09 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.40 2fhm s LEU 30 CO 0.21 -1.78 0.18 0.00 0.23 0.00 0.00 176.35 175.20 2fhm s ALA 31 N -3.31 -0.40 0.00 4.21 0.00 -1.04 -4.49 121.76 116.73 2fhm s ALA 31 Ca 0.60 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2fhm s ALA 31 Cb -0.13 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2fhm s ALA 31 CO 0.52 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.54 2fhm n GLY 32 N 3.92 0.42 3.95 0.00 0.00 -0.52 -0.91 105.19 112.05 2fhm n GLY 32 Ca -0.23 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.00 3.33 0.03 1.61 -2.14 0.36 -0.60 118.94 119.53 2fhm s TRP 33 Ca 0.00 -0.07 0.07 0.00 2.66 0.00 0.00 56.10 58.76 2fhm s TRP 33 Cb 0.00 -1.62 -0.02 0.00 -3.10 0.00 0.00 33.47 28.73 2fhm s TRP 33 CO 0.00 0.37 -0.21 0.54 -2.66 0.00 0.00 176.95 175.00 2fhm s VAL 34 N -2.04 1.66 0.10 -0.66 0.11 -0.27 -1.55 120.40 117.74 2fhm s VAL 34 Ca 0.36 -1.15 -0.11 0.00 -2.93 0.00 0.00 61.98 58.15 2fhm s VAL 34 Cb -0.09 -1.43 0.01 0.00 -1.53 0.00 0.00 36.38 33.34 2fhm s VAL 34 CO 0.29 0.25 0.26 -0.75 -3.33 0.00 0.00 175.10 171.82 2fhm s LYS 35 N -1.06 0.91 -0.21 1.54 2.20 -0.19 -0.94 119.74 121.99 2fhm s LYS 35 Ca 0.07 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.81 2fhm s LYS 35 Cb -0.09 0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2fhm s LYS 35 CO 0.01 -0.31 -0.05 1.21 -0.36 0.00 0.00 175.35 175.85 2fhm s ASN 36 N -2.78 4.24 0.40 1.43 3.84 0.09 -0.61 114.94 121.56 2fhm s ASN 36 Ca 0.03 -0.39 -0.24 0.00 0.21 0.00 0.00 52.86 52.47 2fhm s ASN 36 Cb 0.03 -1.72 -0.09 0.00 -0.55 0.00 0.00 41.25 38.92 2fhm s ASN 36 CO -0.11 -0.01 1.03 -0.13 -2.79 0.00 0.00 177.10 175.10 2fhm s ARG 37 N 1.39 4.18 0.54 0.43 0.52 -0.10 -4.85 118.95 121.06 2fhm s ARG 37 Ca 0.05 1.45 0.20 0.00 -0.52 0.00 0.00 55.73 56.91 2fhm s ARG 37 Cb -0.14 -2.49 1.44 0.00 0.52 0.00 0.00 34.95 34.28 2fhm s ARG 37 CO -0.03 -0.12 2.18 0.22 0.02 0.00 0.00 175.30 177.57 2fhm h ASP 38 N 2.42 0.00 0.19 0.23 3.58 -2.00 -1.04 116.42 119.81 2fhm h ASP 38 Ca -0.48 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.94 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 0.62 0.00 -0.12 -0.78 -2.88 0.00 0.00 179.24 176.08 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.05 -3.46 116.42 116.76 2fhm h ASP 39 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2fhm h ASP 39 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2fhm h ASP 39 CO -0.00 0.12 0.00 0.61 -2.88 0.00 0.00 179.24 177.09 2fhm n GLY 40 N -1.01 3.64 3.75 -0.78 0.00 -0.39 -5.13 105.19 105.28 2fhm n GLY 40 Ca -0.02 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 2fhm n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fhm s ARG 41 N 0.00 3.03 0.40 1.61 3.03 -1.26 -4.71 118.95 121.06 2fhm s ARG 41 Ca 0.00 1.84 -0.19 0.00 2.03 0.00 0.00 55.73 59.41 2fhm s ARG 41 Cb 0.00 -1.97 -0.10 0.00 -1.03 0.00 0.00 34.95 31.84 2fhm s ARG 41 CO 0.00 -1.16 0.89 0.08 -1.13 0.00 0.00 175.30 173.98 2fhm s VAL 42 N -1.58 4.47 0.04 4.99 1.01 0.29 -0.92 120.40 128.71 2fhm s VAL 42 Ca 0.76 1.33 0.08 0.00 0.00 0.00 0.00 61.98 64.15 2fhm s VAL 42 Cb -0.31 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2fhm s VAL 42 CO 0.34 -0.29 -0.21 -0.70 0.00 0.00 0.00 175.10 174.23 2fhm s GLU 43 N -3.14 1.43 -0.00 2.72 2.12 0.22 -0.83 118.70 121.22 2fhm s GLU 43 Ca 0.60 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.98 2fhm s GLU 43 Cb -0.09 -1.55 -0.01 0.00 0.26 0.00 0.00 34.13 32.74 2fhm s GLU 43 CO 0.14 0.40 -0.05 0.42 -0.54 0.00 0.00 175.26 175.63 2fhm s ILE 44 N -0.80 0.43 -0.16 -3.70 1.01 -0.09 -1.02 121.20 116.87 2fhm s ILE 44 Ca 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 2fhm s ILE 44 Cb -0.09 -0.37 0.08 0.00 0.01 0.00 0.00 42.46 42.09 2fhm s ILE 44 CO 0.02 0.08 0.31 -0.22 0.00 0.00 0.00 174.94 175.12 2fhm s LEU 45 N -0.23 -0.39 0.15 2.97 0.20 -0.60 -0.96 118.68 119.81 2fhm s LEU 45 Ca 0.01 0.62 -0.10 0.00 0.69 0.00 0.00 54.13 55.36 2fhm s LEU 45 Cb -0.03 0.87 -0.00 0.00 -0.43 0.00 0.00 46.19 46.60 2fhm s LEU 45 CO -0.00 -0.25 0.29 0.00 -0.29 0.00 0.00 176.35 176.10 2fhm s ALA 46 N 2.47 -0.13 0.23 5.97 0.00 -1.14 -0.49 121.76 128.67 2fhm s ALA 46 Ca 0.02 -0.77 0.11 0.00 0.00 0.00 0.00 51.96 51.32 2fhm s ALA 46 Cb -0.12 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.74 2fhm s ALA 46 CO -0.10 -0.63 -0.21 -1.83 0.00 0.00 0.00 175.76 172.99 2fhm s GLU 47 N -3.94 1.64 0.00 0.00 -1.05 -0.09 -0.97 118.70 114.29 2fhm s GLU 47 Ca 0.14 -1.61 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 2fhm s GLU 47 Cb 0.03 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.88 2fhm s GLU 47 CO -0.03 0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.97 2fhm n GLY 48 N -0.14 -1.76 3.78 -3.83 0.00 -0.57 -2.50 105.19 100.17 2fhm n GLY 48 Ca -0.09 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.75 3.29 0.16 1.61 0.04 -1.26 -0.89 135.00 136.19 2fhm s PRO 49 Ca 0.00 1.50 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 2fhm s PRO 49 Cb 0.00 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.60 2fhm s PRO 49 CO 0.00 -0.88 1.67 0.93 0.04 0.00 0.00 177.00 178.77 2fhm h GLU 50 N 0.94 -0.01 -0.57 4.56 3.07 -1.93 -1.26 114.58 119.38 2fhm h GLU 50 Ca -0.49 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.34 2fhm h GLU 50 Cb 1.25 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.13 2fhm h GLU 50 CO 0.57 -0.00 0.23 -0.97 -1.40 0.00 0.00 179.01 177.44 2fhm h ASN 51 N -0.01 0.75 -0.22 1.42 -0.73 -1.99 0.27 115.58 115.07 2fhm h ASN 51 Ca 0.17 -0.09 -0.05 0.00 1.87 0.00 0.00 56.30 58.20 2fhm h ASN 51 Cb 0.27 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 2fhm h ASN 51 CO -0.37 0.67 -0.05 0.00 -0.37 0.00 0.00 177.43 177.31 2fhm h ALA 52 N 1.45 0.31 -0.24 1.57 0.00 -1.64 -0.96 119.26 119.74 2fhm h ALA 52 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2fhm h ALA 52 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2fhm h ALA 52 CO -0.02 0.09 0.06 -0.07 0.00 0.00 0.00 179.25 179.31 2fhm h LEU 53 N 0.16 0.37 -0.40 0.00 3.38 -0.78 -0.50 115.31 117.54 2fhm h LEU 53 Ca 0.06 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2fhm h LEU 53 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2fhm h LEU 53 CO 0.02 0.50 -0.06 1.56 0.09 0.00 0.00 178.44 180.56 2fhm h GLN 54 N 0.21 0.75 -0.17 1.13 1.08 -0.97 -0.94 115.11 116.21 2fhm h GLN 54 Ca 0.08 -0.27 -0.10 0.00 -1.45 0.00 0.00 58.65 56.90 2fhm h GLN 54 Cb 0.28 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2fhm h GLN 54 CO 0.00 0.87 -0.33 0.77 -0.95 0.00 0.00 178.83 179.19 2fhm h SER 55 N 0.57 0.36 -0.00 1.46 0.02 -1.12 -0.78 113.55 114.06 2fhm h SER 55 Ca 0.11 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2fhm h SER 55 Cb 0.57 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2fhm h SER 55 CO 0.03 0.68 -0.04 0.15 -1.14 0.00 0.00 176.83 176.51 2fhm h PHE 56 N 0.30 -0.09 -0.69 3.45 3.04 -0.90 -0.63 116.94 121.42 2fhm h PHE 56 Ca 0.04 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.05 2fhm h PHE 56 Cb 0.74 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 39.23 2fhm h PHE 56 CO 0.02 -0.06 0.38 0.28 -2.02 0.00 0.00 178.31 176.91 2fhm h VAL 57 N -0.07 0.97 -0.91 1.41 2.07 -0.45 -0.33 116.25 118.94 2fhm h VAL 57 Ca 0.02 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2fhm h VAL 57 Cb 0.09 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 2fhm h VAL 57 CO -0.04 0.13 0.53 -0.33 0.02 0.00 0.00 177.57 177.88 2fhm h GLU 58 N 0.70 1.24 -0.52 1.57 4.39 -1.00 -0.12 114.58 120.85 2fhm h GLU 58 Ca 0.31 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 2fhm h GLU 58 Cb 0.20 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2fhm h GLU 58 CO -0.19 0.89 0.19 0.00 -1.16 0.00 0.00 179.01 178.74 2fhm h ALA 59 N 1.29 0.67 0.12 3.43 0.00 0.46 0.69 119.26 125.92 2fhm h ALA 59 Ca 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2fhm h ALA 59 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2fhm h ALA 59 CO -0.06 0.30 -0.06 0.28 0.00 0.00 0.00 179.25 179.72 2fhm h VAL 60 N 0.70 0.99 -0.88 0.00 2.07 -0.86 -2.25 116.25 116.02 2fhm h VAL 60 Ca 0.17 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2fhm h VAL 60 Cb 0.23 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 2fhm h VAL 60 CO -0.01 0.11 0.57 0.50 0.02 0.00 0.00 177.57 178.76 2fhm h LYS 61 N -0.38 1.05 0.00 1.57 3.64 -0.84 -0.17 116.57 121.44 2fhm h LYS 61 Ca -0.02 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2fhm h LYS 61 Cb 0.31 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2fhm h LYS 61 CO 0.03 0.70 -0.21 -0.97 -2.27 0.00 0.00 179.45 176.72 2fhm h ASN 62 N 1.08 0.00 -5.89 4.20 -1.24 -0.86 -3.44 115.58 109.43 2fhm h ASN 62 Ca 0.36 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.99 2fhm h ASN 62 Cb 0.04 0.00 0.11 0.00 0.73 0.00 0.00 38.32 39.20 2fhm h ASN 62 CO -0.13 0.21 -0.78 0.61 -1.29 0.00 0.00 177.43 176.05 2fhm n GLY 63 N -0.14 -0.36 0.20 1.57 0.00 -0.08 -4.94 105.19 101.44 2fhm n GLY 63 Ca -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.99 0.11 -0.92 1.61 0.02 -1.74 -3.43 113.55 107.21 2fhm h SER 64 Ca -0.60 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2fhm h SER 64 Cb 1.35 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2fhm h SER 64 CO 0.54 0.09 0.00 -0.81 -1.14 0.00 0.00 176.83 175.52 2fhm n PRO 65 N -5.04 0.82 0.14 3.45 -0.04 -1.26 -4.96 135.00 128.11 2fhm n PRO 65 Ca 0.05 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.59 2fhm n PRO 65 Cb 0.21 0.00 0.57 0.00 -0.04 0.00 0.00 33.50 34.24 2fhm n PRO 65 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2fhm h PHE 66 N -0.32 0.19 -3.76 0.54 -5.15 -1.98 -3.42 116.94 103.04 2fhm h PHE 66 Ca 0.00 0.00 -0.49 0.00 -0.20 0.00 0.00 57.97 57.29 2fhm h PHE 66 Cb 0.00 -0.06 -0.02 0.00 0.22 0.00 0.00 35.95 36.08 2fhm h PHE 66 CO 0.00 0.11 0.24 -1.12 -2.00 0.00 0.00 178.31 175.54 2fhm s SER 67 N -6.84 7.17 -0.03 -0.68 0.01 -1.26 -5.01 113.70 107.07 2fhm s SER 67 Ca -0.06 1.63 -0.13 0.00 1.31 0.00 0.00 55.95 58.70 2fhm s SER 67 Cb 0.17 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.92 2fhm s SER 67 CO 0.70 -0.05 0.28 -1.59 0.41 0.00 0.00 173.24 172.99 2fhm s LYS 68 N -2.14 0.59 0.44 12.44 0.00 -0.26 -4.39 119.74 126.44 2fhm s LYS 68 Ca 0.48 -0.14 -0.09 0.00 0.00 0.00 0.00 55.97 56.22 2fhm s LYS 68 Cb -0.17 0.26 -0.05 0.00 0.00 0.00 0.00 37.83 37.87 2fhm s LYS 68 CO 0.22 -0.15 0.79 0.14 0.00 0.00 0.00 175.35 176.34 2fhm s VAL 69 N -1.13 4.82 0.00 1.79 -7.23 -1.26 -1.32 120.40 116.07 2fhm s VAL 69 Ca -0.12 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 2fhm s VAL 69 Cb -0.05 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.10 2fhm s VAL 69 CO 0.03 -0.67 0.05 0.35 -0.31 0.00 0.00 175.10 174.56 2fhm n THR 70 N -1.70 0.00 -3.75 5.32 -2.24 0.45 -4.88 114.28 107.47 2fhm n THR 70 Ca 0.02 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 2fhm n THR 70 Cb 0.54 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.60 -0.34 -0.14 3.42 2.15 -0.73 -4.98 116.67 115.44 2fhm s ASP 71 Ca 0.00 0.63 -0.17 0.00 0.43 0.00 0.00 52.55 53.44 2fhm s ASP 71 Cb 0.00 0.67 0.04 0.00 -0.30 0.00 0.00 42.92 43.33 2fhm s ASP 71 CO 0.00 -0.16 0.45 -0.51 -0.17 0.00 0.00 175.17 174.79 2fhm s ILE 72 N 0.02 0.01 -0.01 4.11 2.07 -1.26 -1.33 121.20 124.80 2fhm s ILE 72 Ca -0.01 -0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.11 2fhm s ILE 72 Cb -0.03 -0.67 0.00 0.00 0.13 0.00 0.00 42.46 41.90 2fhm s ILE 72 CO 0.01 -0.04 0.08 -0.44 -1.91 0.00 0.00 174.94 172.63 2fhm s SER 73 N -0.13 0.00 -0.01 4.50 0.01 -0.12 -5.00 113.70 112.95 2fhm s SER 73 Ca -0.03 -0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.17 2fhm s SER 73 Cb -0.03 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2fhm s SER 73 CO 0.02 -0.17 0.03 -0.69 0.41 0.00 0.00 173.24 172.84 2fhm s VAL 74 N -0.61 0.01 0.08 3.43 1.01 -1.26 -1.43 120.40 121.61 2fhm s VAL 74 Ca -0.07 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2fhm s VAL 74 Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 2fhm s VAL 74 CO 0.00 -0.03 -0.06 -0.89 0.00 0.00 0.00 175.10 174.12 2fhm s THR 75 N -0.08 0.58 0.07 3.92 2.01 0.07 -5.01 115.64 117.20 2fhm s THR 75 Ca -0.01 -1.70 -0.05 0.00 0.31 0.00 0.00 61.69 60.24 2fhm s THR 75 Cb -0.01 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 2fhm s THR 75 CO 0.00 -0.77 0.09 -1.83 -0.69 0.00 0.00 174.62 171.42 2fhm s GLU 76 N -3.28 0.72 0.02 4.92 4.04 -1.26 -0.68 118.70 123.18 2fhm s GLU 76 Ca 0.06 -1.04 -0.06 0.00 0.04 0.00 0.00 54.97 53.96 2fhm s GLU 76 Cb 0.02 0.28 -0.01 0.00 0.02 0.00 0.00 34.13 34.44 2fhm s GLU 76 CO -0.04 -0.19 0.11 -1.12 -1.84 0.00 0.00 175.26 172.18 2fhm s SER 77 N -2.80 0.10 -0.22 0.83 0.01 -0.50 -4.99 113.70 106.14 2fhm s SER 77 Ca 0.05 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2fhm s SER 77 Cb 0.05 0.21 0.21 0.00 0.21 0.00 0.00 66.02 66.70 2fhm s SER 77 CO -0.10 -0.42 1.70 0.54 0.41 0.00 0.00 173.24 175.37 2fhm n ARG 78 N 1.18 1.57 -3.59 12.44 5.12 -1.26 -0.75 116.66 131.35 2fhm n ARG 78 Ca -0.21 -1.20 -0.27 0.00 -1.93 0.00 0.00 57.85 54.23 2fhm n ARG 78 Cb 0.57 -1.47 -0.16 0.00 -1.16 0.00 0.00 32.46 30.23 2fhm n ARG 78 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2fhm s SER 79 N 0.34 2.77 0.93 0.55 0.01 -1.26 -4.87 113.70 112.17 2fhm s SER 79 Ca 0.23 -0.85 -0.10 0.00 1.31 0.00 0.00 55.95 56.54 2fhm s SER 79 Cb 0.19 -0.30 0.15 0.00 0.21 0.00 0.00 66.02 66.28 2fhm s SER 79 CO 0.02 -0.38 1.13 -0.76 0.41 0.00 0.00 173.24 173.66 2fhm s LEU 80 N 2.11 2.68 0.00 2.44 1.02 -1.26 -4.40 118.68 121.27 2fhm s LEU 80 Ca 0.04 2.11 0.00 0.00 0.02 0.00 0.00 54.13 56.31 2fhm s LEU 80 Cb -0.16 -4.46 0.00 0.00 0.02 0.00 0.00 46.19 41.59 2fhm s LEU 80 CO -0.18 -3.15 0.00 -1.84 0.02 0.00 0.00 176.35 171.20 2fhm n GLU 81 N -4.26 2.32 0.00 1.70 -0.00 -1.26 -5.08 120.64 114.06 2fhm n GLU 81 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.27 2fhm n GLU 81 Cb 0.52 -0.19 0.00 0.00 -0.00 0.00 0.00 31.44 31.77 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2fhm n GLY 82 N 0.00 1.10 3.75 -1.84 0.00 -1.26 -5.11 105.19 101.83 2fhm n GLY 82 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 2.32 0.00 1.61 3.76 -1.26 -4.94 115.29 114.78 2fhm s HIS 83 Ca 0.00 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.29 2fhm s HIS 83 Cb 0.00 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 29.91 2fhm s HIS 83 CO 0.00 -2.84 0.73 0.72 -0.85 0.00 0.00 174.74 172.51 2fhm n HIS 84 N -0.98 0.00 -3.95 1.40 8.25 -1.26 -4.81 115.22 113.87 2fhm n HIS 84 Ca 0.10 -0.25 -0.10 0.00 -0.26 0.00 0.00 57.72 57.22 2fhm n HIS 84 Cb 0.45 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.49 1.28 0.40 -0.41 1.70 -1.26 -4.97 118.95 115.19 2fhm s ARG 85 Ca 0.00 -1.17 -0.23 0.00 -0.47 0.00 0.00 55.73 53.86 2fhm s ARG 85 Cb 0.00 0.41 -0.11 0.00 -0.57 0.00 0.00 34.95 34.69 2fhm s ARG 85 CO 0.00 -0.50 0.95 -0.59 -1.08 0.00 0.00 175.30 174.08 2fhm s PHE 86 N -3.98 3.43 0.04 5.89 -0.12 -1.26 -1.44 117.98 120.55 2fhm s PHE 86 Ca 0.18 1.66 -0.02 0.00 -0.05 0.00 0.00 56.93 58.70 2fhm s PHE 86 Cb 0.02 -2.87 -0.03 0.00 -0.63 0.00 0.00 43.02 39.51 2fhm s PHE 86 CO 0.02 -0.01 0.01 -1.12 -0.05 0.00 0.00 175.22 174.08 2fhm s SER 87 N -2.00 0.35 -0.14 1.98 0.01 0.23 -4.89 113.70 109.22 2fhm s SER 87 Ca 0.58 -0.77 -0.03 0.00 1.31 0.00 0.00 55.95 57.05 2fhm s SER 87 Cb -0.12 0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.35 2fhm s SER 87 CO 0.16 -0.52 0.03 -0.63 0.41 0.00 0.00 173.24 172.69 2fhm s ILE 88 N -3.11 0.36 0.43 1.44 1.01 -1.26 -1.12 121.20 118.96 2fhm s ILE 88 Ca -0.01 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 2fhm s ILE 88 Cb 0.02 -0.76 -0.09 0.00 0.01 0.00 0.00 42.46 41.63 2fhm s ILE 88 CO -0.07 -0.05 1.03 -0.69 0.00 0.00 0.00 174.94 175.15 2fhm s VAL 89 N 1.95 3.87 0.35 2.92 1.01 -0.11 -4.96 120.40 125.43 2fhm s VAL 89 Ca 0.02 1.29 0.06 0.00 0.00 0.00 0.00 61.98 63.35 2fhm s VAL 89 Cb -0.15 -3.59 0.16 0.00 0.00 0.00 0.00 36.38 32.80 2fhm s VAL 89 CO -0.07 -0.13 1.89 1.88 0.00 0.00 0.00 175.10 178.67 2fhm h TYR 90 N 2.07 0.44 0.00 5.22 0.05 -2.00 -3.46 116.97 119.29 2fhm h TYR 90 Ca -0.49 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.25 2fhm h TYR 90 Cb 1.21 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2fhm h TYR 90 CO 0.58 0.47 0.00 0.43 -1.05 0.00 0.00 178.16 178.60