#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 2.22 0.03 -0.89 1.02 -0.73 -4.73 118.68 115.60 2fhm s LEU 2 Ca 0.00 -1.62 -0.02 0.00 0.02 0.00 0.00 54.13 52.52 2fhm s LEU 2 Cb 0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 46.19 45.71 2fhm s LEU 2 CO 0.00 -0.83 0.00 -1.58 0.02 0.00 0.00 176.35 173.96 2fhm s GLN 3 N -3.80 0.43 0.30 1.70 0.74 -0.22 -1.44 119.66 117.37 2fhm s GLN 3 Ca 0.18 -0.75 0.09 0.00 0.05 0.00 0.00 55.36 54.93 2fhm s GLN 3 Cb 0.03 0.16 -0.04 0.00 1.10 0.00 0.00 33.01 34.26 2fhm s GLN 3 CO 0.10 -0.08 0.05 1.52 -0.55 0.00 0.00 175.29 176.33 2fhm s TYR 4 N -2.17 2.70 -0.04 1.67 -0.85 -0.36 -0.81 117.35 117.49 2fhm s TYR 4 Ca -0.09 -0.29 -0.00 0.00 -0.52 0.00 0.00 57.07 56.16 2fhm s TYR 4 Cb -0.05 -1.37 0.03 0.00 0.38 0.00 0.00 41.96 40.95 2fhm s TYR 4 CO -0.03 0.51 0.02 1.03 -1.52 0.00 0.00 175.55 175.55 2fhm s ARG 5 N -3.74 0.25 -0.00 -3.49 0.52 -0.06 -2.89 118.95 109.53 2fhm s ARG 5 Ca 0.34 0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.72 2fhm s ARG 5 Cb -0.05 -0.57 -0.00 0.00 0.52 0.00 0.00 34.95 34.85 2fhm s ARG 5 CO 0.21 -0.21 -0.06 0.42 0.02 0.00 0.00 175.30 175.68 2fhm s ILE 6 N 1.46 0.48 -0.04 1.52 1.01 0.08 -0.59 121.20 125.14 2fhm s ILE 6 Ca -0.04 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2fhm s ILE 6 Cb -0.13 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.93 2fhm s ILE 6 CO -0.03 0.14 -0.12 -0.63 0.00 0.00 0.00 174.94 174.30 2fhm s ILE 7 N -0.14 1.00 0.04 2.92 -1.09 -0.55 -0.88 121.20 122.51 2fhm s ILE 7 Ca 0.02 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 2fhm s ILE 7 Cb -0.02 -0.89 -0.03 0.00 -1.58 0.00 0.00 42.46 39.94 2fhm s ILE 7 CO -0.00 0.31 -0.04 0.68 -1.23 0.00 0.00 174.94 174.65 2fhm s VAL 8 N 0.22 0.31 0.01 2.92 -7.23 -0.08 -1.05 120.40 115.50 2fhm s VAL 8 Ca -0.05 -1.32 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 2fhm s VAL 8 Cb -0.10 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 2fhm s VAL 8 CO 0.01 -0.66 -0.00 -0.62 -0.31 0.00 0.00 175.10 173.52 2fhm s ASP 9 N -2.09 0.13 0.00 4.85 2.15 -0.46 -1.15 116.67 120.10 2fhm s ASP 9 Ca -0.05 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.65 2fhm s ASP 9 Cb -0.03 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.67 2fhm s ASP 9 CO -0.04 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 2fhm n GLY 10 N 2.15 0.28 3.55 2.66 0.00 -1.26 -0.42 105.19 112.15 2fhm n GLY 10 Ca -0.19 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 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 3.18 -0.01 1.61 6.06 -0.29 -4.68 118.95 122.81 2fhm s ARG 11 Ca 0.00 -0.28 0.02 0.00 -2.50 0.00 0.00 55.73 52.96 2fhm s ARG 11 Cb 0.00 -4.40 0.03 0.00 0.06 0.00 0.00 34.95 30.64 2fhm s ARG 11 CO 0.00 -2.25 0.78 1.33 -2.50 0.00 0.00 175.30 172.67 2fhm n VAL 12 N 6.57 0.44 -3.88 7.11 0.24 -1.26 -1.46 118.33 126.09 2fhm n VAL 12 Ca 0.10 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.83 2fhm n VAL 12 Cb 0.50 0.66 -0.08 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.54 0.72 0.00 7.34 -1.52 -1.26 -3.88 119.66 120.53 2fhm s GLN 13 Ca 0.03 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 2fhm s GLN 13 Cb 0.03 0.29 0.00 0.00 -0.22 0.00 0.00 33.01 33.11 2fhm s GLN 13 CO 0.00 -0.21 0.00 0.41 -0.25 0.00 0.00 175.29 175.24 2fhm n GLY 14 N 0.39 0.57 3.68 3.09 0.00 -1.26 -4.74 105.19 106.91 2fhm n GLY 14 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2fhm n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2fhm n VAL 15 N 0.00 2.25 0.00 1.61 0.31 -1.26 -1.13 118.33 120.11 2fhm n VAL 15 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2fhm n VAL 15 Cb 0.00 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 2fhm n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fhm n GLY 16 N 0.88 1.52 0.22 2.92 0.00 -1.26 -4.61 105.19 104.85 2fhm n GLY 16 Ca 0.06 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.03 1.61 -1.00 -1.69 0.65 116.94 116.47 2fhm h PHE 17 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2fhm h PHE 17 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2fhm h PHE 17 CO 0.00 0.00 0.00 2.89 -1.61 0.00 0.00 178.31 179.59 2fhm n ARG 18 N -2.67 0.36 0.08 1.51 1.85 -0.29 -4.23 116.66 113.27 2fhm n ARG 18 Ca 0.00 -1.05 -0.08 0.00 -1.00 0.00 0.00 57.85 55.73 2fhm n ARG 18 Cb 0.21 -1.15 0.05 0.00 -1.05 0.00 0.00 32.46 30.52 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 1.43 0.37 -0.96 2.89 3.20 -1.15 -3.33 116.97 119.43 2fhm h TYR 19 Ca 0.00 -0.17 0.08 0.00 3.14 0.00 0.00 58.73 61.78 2fhm h TYR 19 Cb 0.35 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.50 2fhm h TYR 19 CO 0.02 0.91 0.62 0.27 -1.64 0.00 0.00 178.16 178.33 2fhm h PHE 20 N 0.18 1.11 -0.65 -3.82 -0.00 -1.53 0.43 116.94 112.66 2fhm h PHE 20 Ca -0.03 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.96 2fhm h PHE 20 Cb 1.29 -0.36 -0.03 0.00 -0.00 0.00 0.00 35.95 36.85 2fhm h PHE 20 CO 0.03 0.55 0.34 -0.39 -0.00 0.00 0.00 178.31 178.84 2fhm h VAL 21 N 1.06 1.20 0.00 0.88 -1.51 -1.87 -0.15 116.25 115.86 2fhm h VAL 21 Ca 0.43 -0.53 -0.13 0.00 -1.23 0.00 0.00 66.70 65.24 2fhm h VAL 21 Cb 0.26 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 2fhm h VAL 21 CO -0.18 0.23 -0.60 1.56 -1.23 0.00 0.00 177.57 177.35 2fhm h GLN 22 N 0.91 0.00 -0.01 5.19 1.08 -1.12 0.20 115.11 121.36 2fhm h GLN 22 Ca 0.23 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2fhm h GLN 22 Cb 0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2fhm h GLN 22 CO -0.03 0.60 0.01 0.52 -0.95 0.00 0.00 178.83 178.97 2fhm h MET 23 N 0.00 0.02 -0.27 1.46 2.86 -0.55 -1.46 114.93 117.00 2fhm h MET 23 Ca -0.01 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2fhm h MET 23 Cb 1.20 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2fhm h MET 23 CO 0.08 0.12 -0.16 0.93 1.06 0.00 0.00 176.91 178.94 2fhm h GLU 24 N -0.09 0.46 0.09 1.72 4.39 -0.60 -0.33 114.58 120.22 2fhm h GLU 24 Ca 0.00 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 2fhm h GLU 24 Cb 0.11 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2fhm h GLU 24 CO -0.00 0.62 -0.04 0.00 -1.16 0.00 0.00 179.01 178.42 2fhm h ALA 25 N 1.41 -0.12 -0.83 3.43 0.00 -0.58 -2.37 119.26 120.21 2fhm h ALA 25 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2fhm h ALA 25 Cb 0.53 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2fhm h ALA 25 CO 0.03 -0.52 0.47 0.22 0.00 0.00 0.00 179.25 179.45 2fhm h ASP 26 N -0.21 1.02 0.16 0.00 3.58 -0.85 -0.01 116.42 120.11 2fhm h ASP 26 Ca -0.01 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2fhm h ASP 26 Cb 0.18 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2fhm h ASP 26 CO 0.02 0.81 0.00 1.17 -2.88 0.00 0.00 179.24 178.36 2fhm n LYS 27 N -4.41 0.16 -0.25 0.28 0.00 -0.17 -0.96 118.16 112.81 2fhm n LYS 27 Ca 0.08 0.60 0.09 0.00 0.00 0.00 0.00 58.31 59.08 2fhm n LYS 27 Cb 0.08 -1.96 0.19 0.00 0.00 0.00 0.00 35.03 33.34 2fhm n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2fhm n ARG 28 N -2.29 1.89 -2.74 1.64 5.12 -0.34 -4.99 116.66 114.95 2fhm n ARG 28 Ca -0.01 -2.73 -0.09 0.00 -1.93 0.00 0.00 57.85 53.10 2fhm n ARG 28 Cb 0.08 -1.64 -0.01 0.00 -1.16 0.00 0.00 32.46 29.73 2fhm n ARG 28 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2fhm n LYS 29 N -1.09 -2.66 -1.50 5.56 2.85 -0.13 -4.87 118.16 116.33 2fhm n LYS 29 Ca 0.19 0.19 -0.31 0.00 -1.05 0.00 0.00 58.31 57.34 2fhm n LYS 29 Cb 0.75 -4.74 0.08 0.00 -0.65 0.00 0.00 35.03 30.46 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2fhm s LEU 30 N -5.47 2.86 -0.00 -5.58 1.43 -0.16 -4.93 118.68 106.82 2fhm s LEU 30 Ca 0.11 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 2fhm s LEU 30 Cb -0.06 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.91 2fhm s LEU 30 CO 0.13 -1.80 -0.01 0.00 0.23 0.00 0.00 176.35 174.90 2fhm s ALA 31 N -3.06 0.11 0.00 4.21 0.00 -1.11 -4.50 121.76 117.41 2fhm s ALA 31 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2fhm s ALA 31 Cb -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2fhm s ALA 31 CO 0.55 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.73 2fhm n GLY 32 N 3.19 -1.43 3.30 0.00 0.00 -1.04 -0.65 105.19 108.55 2fhm n GLY 32 Ca -0.14 -1.10 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.91 1.48 -0.01 1.61 -2.14 0.37 -0.59 118.94 116.76 2fhm s TRP 33 Ca 0.00 -0.70 0.06 0.00 2.66 0.00 0.00 56.10 58.13 2fhm s TRP 33 Cb 0.00 -0.73 -0.02 0.00 -3.10 0.00 0.00 33.47 29.62 2fhm s TRP 33 CO 0.00 0.19 -0.21 0.54 -2.66 0.00 0.00 176.95 174.81 2fhm s VAL 34 N -3.19 1.63 -0.04 -0.66 0.11 -0.42 -1.52 120.40 116.31 2fhm s VAL 34 Ca 0.20 -0.93 -0.08 0.00 -2.93 0.00 0.00 61.98 58.24 2fhm s VAL 34 Cb 0.02 -1.36 0.01 0.00 -1.53 0.00 0.00 36.38 33.52 2fhm s VAL 34 CO 0.04 0.41 0.19 -0.75 -3.33 0.00 0.00 175.10 171.66 2fhm s LYS 35 N -0.60 0.36 0.40 1.54 2.20 0.01 -1.05 119.74 122.60 2fhm s LYS 35 Ca 0.08 0.01 -0.24 0.00 -0.36 0.00 0.00 55.97 55.46 2fhm s LYS 35 Cb -0.08 0.16 -0.09 0.00 -1.51 0.00 0.00 37.83 36.31 2fhm s LYS 35 CO -0.00 -0.07 1.03 1.21 -0.36 0.00 0.00 175.35 177.15 2fhm s ASN 36 N -0.52 6.80 -0.11 1.43 3.84 -1.24 -0.56 114.94 124.58 2fhm s ASN 36 Ca -0.06 1.98 0.01 0.00 0.21 0.00 0.00 52.86 54.99 2fhm s ASN 36 Cb -0.04 -2.58 -0.02 0.00 -0.55 0.00 0.00 41.25 38.06 2fhm s ASN 36 CO 0.01 -0.46 -0.13 -0.13 -2.79 0.00 0.00 177.10 173.60 2fhm s ARG 37 N -2.56 3.16 0.59 0.43 0.52 -0.16 -4.83 118.95 116.10 2fhm s ARG 37 Ca 0.58 -0.68 0.30 0.00 -0.52 0.00 0.00 55.73 55.41 2fhm s ARG 37 Cb -0.20 -2.57 1.85 0.00 0.52 0.00 0.00 34.95 34.54 2fhm s ARG 37 CO 0.25 0.32 2.26 0.22 0.02 0.00 0.00 175.30 178.38 2fhm h ASP 38 N 6.34 0.00 0.05 0.23 3.58 -1.98 -0.21 116.42 124.43 2fhm h ASP 38 Ca -0.31 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 2fhm h ASP 38 Cb 1.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 2fhm h ASP 38 CO 0.54 0.00 -0.02 -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 -2.05 -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 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 2fhm n GLY 40 N -1.29 1.38 3.72 -0.78 0.00 -0.09 -5.14 105.19 102.99 2fhm n GLY 40 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 0.34 0.08 1.61 3.00 -1.21 -4.85 118.95 117.92 2fhm s ARG 41 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 55.73 56.02 2fhm s ARG 41 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 34.95 33.16 2fhm s ARG 41 CO 0.00 -2.72 -0.22 0.08 0.00 0.00 0.00 175.30 172.44 2fhm s VAL 42 N -3.19 2.57 0.02 3.52 1.01 -0.30 -0.99 120.40 123.03 2fhm s VAL 42 Ca 0.67 -1.43 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2fhm s VAL 42 Cb -0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2fhm s VAL 42 CO 0.55 0.23 -0.16 -0.70 0.00 0.00 0.00 175.10 175.02 2fhm s GLU 43 N -1.71 2.21 -0.02 2.72 2.12 0.27 -0.90 118.70 123.39 2fhm s GLU 43 Ca 0.15 -0.90 0.01 0.00 0.36 0.00 0.00 54.97 54.59 2fhm s GLU 43 Cb -0.10 -2.25 0.01 0.00 0.26 0.00 0.00 34.13 32.05 2fhm s GLU 43 CO 0.06 0.56 -0.01 0.42 -0.54 0.00 0.00 175.26 175.75 2fhm s ILE 44 N -0.88 0.18 -0.14 -3.70 1.01 -0.06 -0.81 121.20 116.80 2fhm s ILE 44 Ca 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 2fhm s ILE 44 Cb -0.11 -0.22 0.06 0.00 0.01 0.00 0.00 42.46 42.21 2fhm s ILE 44 CO 0.04 0.10 0.31 -0.22 0.00 0.00 0.00 174.94 175.17 2fhm s LEU 45 N 0.56 -0.12 0.15 2.97 0.20 -0.57 -0.74 118.68 121.12 2fhm s LEU 45 Ca -0.05 0.69 -0.15 0.00 0.69 0.00 0.00 54.13 55.30 2fhm s LEU 45 Cb -0.08 0.92 0.02 0.00 -0.43 0.00 0.00 46.19 46.62 2fhm s LEU 45 CO -0.01 -0.21 0.40 0.00 -0.29 0.00 0.00 176.35 176.24 2fhm s ALA 46 N 1.96 -0.75 0.13 5.97 0.00 -1.14 -0.48 121.76 127.45 2fhm s ALA 46 Ca -0.04 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 51.73 2fhm s ALA 46 Cb -0.11 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 2fhm s ALA 46 CO -0.10 -0.68 -0.06 -1.83 0.00 0.00 0.00 175.76 173.09 2fhm s GLU 47 N -3.85 2.25 0.00 0.00 -1.05 0.18 -1.22 118.70 115.01 2fhm s GLU 47 Ca 0.07 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 2fhm s GLU 47 Cb 0.01 -2.34 0.00 0.00 -0.44 0.00 0.00 34.13 31.36 2fhm s GLU 47 CO -0.08 0.49 0.00 0.41 0.95 0.00 0.00 175.26 177.04 2fhm n GLY 48 N 0.41 -0.59 3.77 -3.83 0.00 -0.52 -2.73 105.19 101.70 2fhm n GLY 48 Ca -0.12 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 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 2.50 0.18 1.61 0.04 -1.26 -1.77 135.00 134.30 2fhm s PRO 49 Ca 0.00 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 2fhm s PRO 49 Cb 0.00 -1.92 0.15 0.00 0.04 0.00 0.00 34.50 32.76 2fhm s PRO 49 CO 0.00 -1.46 1.76 1.49 0.04 0.00 0.00 177.00 178.83 2fhm h GLU 50 N -0.70 0.38 -0.58 4.56 4.81 -1.98 -1.37 114.58 119.70 2fhm h GLU 50 Ca -0.45 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 2fhm h GLU 50 Cb 1.23 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2fhm h GLU 50 CO 0.53 0.25 0.12 -2.95 -0.73 0.00 0.00 179.01 176.23 2fhm h ASN 51 N 0.39 0.85 -0.13 1.04 -1.07 -1.98 -0.05 115.58 114.63 2fhm h ASN 51 Ca 0.22 -0.17 -0.02 0.00 0.07 0.00 0.00 56.30 56.40 2fhm h ASN 51 Cb 0.20 -0.22 -0.00 0.00 -2.07 0.00 0.00 38.32 36.22 2fhm h ASN 51 CO -0.20 0.84 0.00 0.00 0.07 0.00 0.00 177.43 178.14 2fhm h ALA 52 N 1.26 0.18 -0.29 4.14 0.00 -1.72 -0.81 119.26 122.02 2fhm h ALA 52 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fhm h ALA 52 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2fhm h ALA 52 CO 0.00 -0.13 0.17 -0.07 0.00 0.00 0.00 179.25 179.23 2fhm h LEU 53 N -0.02 0.35 -0.51 0.00 3.38 -1.00 -1.52 115.31 115.99 2fhm h LEU 53 Ca 0.04 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2fhm h LEU 53 Cb 0.35 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2fhm h LEU 53 CO 0.01 0.29 -0.40 1.56 0.09 0.00 0.00 178.44 179.99 2fhm h GLN 54 N 0.37 0.78 -0.72 1.13 1.08 -1.00 -1.27 115.11 115.48 2fhm h GLN 54 Ca 0.10 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2fhm h GLN 54 Cb 0.01 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 2fhm h GLN 54 CO -0.02 1.04 0.45 0.77 -0.95 0.00 0.00 178.83 180.12 2fhm h SER 55 N 0.64 0.85 -0.29 1.46 0.02 -0.99 -1.21 113.55 114.02 2fhm h SER 55 Ca 0.05 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2fhm h SER 55 Cb 0.96 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2fhm h SER 55 CO 0.09 0.65 0.18 0.15 -1.14 0.00 0.00 176.83 176.75 2fhm h PHE 56 N 0.98 0.33 -0.62 3.45 3.04 -1.05 -1.13 116.94 121.94 2fhm h PHE 56 Ca 0.26 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.30 2fhm h PHE 56 Cb -0.06 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.28 2fhm h PHE 56 CO -0.02 0.20 0.29 0.28 -2.02 0.00 0.00 178.31 177.05 2fhm h VAL 57 N 0.36 0.87 -0.82 1.41 2.07 -0.54 -0.71 116.25 118.89 2fhm h VAL 57 Ca 0.11 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2fhm h VAL 57 Cb -0.01 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 2fhm h VAL 57 CO -0.05 0.10 0.36 -0.33 0.02 0.00 0.00 177.57 177.67 2fhm h GLU 58 N 0.53 1.21 -0.68 1.57 5.08 -0.97 -0.72 114.58 120.60 2fhm h GLU 58 Ca 0.30 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2fhm h GLU 58 Cb 0.29 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2fhm h GLU 58 CO -0.24 0.95 0.42 0.00 -1.00 0.00 0.00 179.01 179.14 2fhm h ALA 59 N 1.20 0.87 0.03 3.43 0.00 0.05 0.14 119.26 124.98 2fhm h ALA 59 Ca 0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2fhm h ALA 59 Cb 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2fhm h ALA 59 CO -0.03 0.33 -0.01 0.28 0.00 0.00 0.00 179.25 179.82 2fhm h VAL 60 N 0.92 1.20 -0.89 0.00 2.07 -0.86 -2.98 116.25 115.71 2fhm h VAL 60 Ca 0.25 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.12 2fhm h VAL 60 Cb -0.04 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2fhm h VAL 60 CO -0.05 0.18 0.58 0.50 0.02 0.00 0.00 177.57 178.80 2fhm h LYS 61 N -0.34 1.04 0.00 1.57 3.64 -0.85 -0.45 116.57 121.19 2fhm h LYS 61 Ca -0.00 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2fhm h LYS 61 Cb 0.32 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2fhm h LYS 61 CO 0.01 0.69 -0.17 -0.97 -2.27 0.00 0.00 179.45 176.73 2fhm h ASN 62 N 1.07 0.00 -5.91 4.20 -1.24 -0.98 -3.44 115.58 109.28 2fhm h ASN 62 Ca 0.36 0.00 -0.40 0.00 0.71 0.00 0.00 56.30 56.98 2fhm h ASN 62 Cb 0.09 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.24 2fhm h ASN 62 CO -0.12 0.17 -0.75 0.61 -1.29 0.00 0.00 177.43 176.06 2fhm n GLY 63 N -0.13 -0.44 0.14 1.57 0.00 -0.18 -4.93 105.19 101.22 2fhm n GLY 63 Ca -0.00 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.23 -0.30 0.01 1.61 0.02 -1.74 -3.38 113.55 107.55 2fhm h SER 64 Ca -0.58 0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.27 2fhm h SER 64 Cb 1.36 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 2fhm h SER 64 CO 0.56 -0.13 -0.85 1.55 -1.14 0.00 0.00 176.83 176.83 2fhm h PRO 65 N -0.10 0.01 0.00 3.45 0.13 -1.91 -3.48 132.00 130.10 2fhm h PRO 65 Ca 0.08 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2fhm h PRO 65 Cb 0.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2fhm h PRO 65 CO -0.19 1.01 0.00 1.97 -0.23 0.00 0.00 178.00 180.56 2fhm n PHE 66 N -4.47 -1.02 -1.64 1.56 1.16 -1.26 -5.12 117.46 106.67 2fhm n PHE 66 Ca -0.24 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 54.98 2fhm n PHE 66 Cb 0.63 0.20 0.07 0.00 -1.61 0.00 0.00 39.48 38.77 2fhm n PHE 66 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2fhm s SER 67 N -1.60 4.49 -0.09 5.98 0.01 -1.26 -5.02 113.70 116.21 2fhm s SER 67 Ca 0.00 2.47 -0.21 0.00 1.31 0.00 0.00 55.95 59.53 2fhm s SER 67 Cb 0.00 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.67 2fhm s SER 67 CO 0.00 -2.07 0.49 -1.59 0.41 0.00 0.00 173.24 170.48 2fhm s LYS 68 N -3.61 0.75 0.44 12.44 0.00 -0.53 -4.25 119.74 124.98 2fhm s LYS 68 Ca 0.78 0.27 -0.12 0.00 0.00 0.00 0.00 55.97 56.90 2fhm s LYS 68 Cb -0.33 0.35 -0.07 0.00 0.00 0.00 0.00 37.83 37.79 2fhm s LYS 68 CO 0.41 -0.18 0.84 0.14 0.00 0.00 0.00 175.35 176.56 2fhm s VAL 69 N -0.70 4.71 0.00 1.79 -7.23 -1.26 -1.14 120.40 116.57 2fhm s VAL 69 Ca -0.08 0.80 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 2fhm s VAL 69 Cb -0.03 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.17 2fhm s VAL 69 CO 0.05 -0.59 0.00 0.35 -0.31 0.00 0.00 175.10 174.59 2fhm n THR 70 N -1.43 0.00 -3.74 5.32 -2.24 0.44 -4.90 114.28 107.73 2fhm n THR 70 Ca 0.04 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 2fhm n THR 70 Cb 0.54 0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.03 -0.31 -0.10 3.42 2.15 -0.88 -5.00 116.67 114.92 2fhm s ASP 71 Ca 0.00 0.43 -0.12 0.00 0.43 0.00 0.00 52.55 53.29 2fhm s ASP 71 Cb 0.00 0.54 0.03 0.00 -0.30 0.00 0.00 42.92 43.19 2fhm s ASP 71 CO 0.00 -0.31 0.32 -0.51 -0.17 0.00 0.00 175.17 174.50 2fhm s ILE 72 N -0.62 0.01 -0.00 4.11 2.07 -1.26 -1.36 121.20 124.15 2fhm s ILE 72 Ca -0.07 -0.09 0.02 0.00 -1.41 0.00 0.00 60.65 59.09 2fhm s ILE 72 Cb -0.04 -0.48 -0.01 0.00 0.13 0.00 0.00 42.46 42.06 2fhm s ILE 72 CO 0.03 -0.05 -0.05 -0.44 -1.91 0.00 0.00 174.94 172.51 2fhm s SER 73 N -0.11 0.63 -0.01 4.50 0.01 -0.22 -5.02 113.70 113.49 2fhm s SER 73 Ca -0.03 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.12 2fhm s SER 73 Cb -0.03 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 2fhm s SER 73 CO 0.01 0.04 -0.05 -0.69 0.41 0.00 0.00 173.24 172.96 2fhm s VAL 74 N -0.22 0.43 0.13 3.43 1.01 -1.26 -1.48 120.40 122.44 2fhm s VAL 74 Ca 0.01 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.83 2fhm s VAL 74 Cb -0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2fhm s VAL 74 CO -0.00 0.13 -0.13 -0.89 0.00 0.00 0.00 175.10 174.22 2fhm s THR 75 N 0.02 1.27 0.09 3.92 2.01 0.25 -5.01 115.64 118.19 2fhm s THR 75 Ca 0.00 -1.79 0.05 0.00 0.31 0.00 0.00 61.69 60.26 2fhm s THR 75 Cb -0.04 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2fhm s THR 75 CO -0.00 -0.50 -0.14 -1.83 -0.69 0.00 0.00 174.62 171.46 2fhm s GLU 76 N -2.92 0.90 0.34 4.92 -1.05 -1.26 -0.89 118.70 118.75 2fhm s GLU 76 Ca 0.10 -1.09 -0.02 0.00 -0.15 0.00 0.00 54.97 53.81 2fhm s GLU 76 Cb -0.03 -0.83 0.00 0.00 -0.44 0.00 0.00 34.13 32.83 2fhm s GLU 76 CO 0.02 0.17 0.47 -1.12 0.95 0.00 0.00 175.26 175.76 2fhm s SER 77 N -2.09 0.93 -0.03 0.83 0.01 0.01 -4.96 113.70 108.40 2fhm s SER 77 Ca 0.03 -1.49 0.05 0.00 1.31 0.00 0.00 55.95 55.85 2fhm s SER 77 Cb -0.07 0.66 0.07 0.00 0.21 0.00 0.00 66.02 66.89 2fhm s SER 77 CO 0.02 -1.30 0.92 0.54 0.41 0.00 0.00 173.24 173.83 2fhm n ARG 78 N -0.57 0.94 0.18 12.44 3.00 -1.26 -1.05 116.66 130.34 2fhm n ARG 78 Ca 0.01 -1.38 0.03 0.00 -0.01 0.00 0.00 57.85 56.50 2fhm n ARG 78 Cb 0.62 -0.86 0.34 0.00 0.00 0.00 0.00 32.46 32.56 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 -3.07 0.55 0.02 -1.90 -3.46 113.55 105.68 2fhm h SER 79 Ca 0.00 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 61.29 2fhm h SER 79 Cb 1.02 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.44 2fhm h SER 79 CO 0.00 0.41 -0.69 0.18 -1.14 0.00 0.00 176.83 175.59 2fhm n LEU 80 N -3.84 -0.74 0.00 5.07 4.32 -1.26 -4.97 117.00 115.58 2fhm n LEU 80 Ca -0.01 1.67 0.00 0.00 -0.02 0.00 0.00 56.01 57.65 2fhm n LEU 80 Cb 0.47 -4.26 0.00 0.00 -1.62 0.00 0.00 43.42 38.01 2fhm n LEU 80 CO 0.38 -3.04 0.00 -1.84 -1.22 0.00 0.00 177.39 171.67 2fhm n GLU 81 N -4.01 2.14 0.00 3.23 -0.00 -1.26 -5.02 120.64 115.72 2fhm n GLU 81 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 2fhm n GLU 81 Cb 0.66 -0.18 0.00 0.00 -0.00 0.00 0.00 31.44 31.92 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 0.23 3.93 -1.84 0.00 -1.26 -5.07 105.19 101.18 2fhm n GLY 82 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.07 2.37 -0.08 1.61 3.76 -1.26 -5.03 115.29 114.60 2fhm s HIS 83 Ca 0.00 0.45 0.11 0.00 -0.15 0.00 0.00 55.06 55.47 2fhm s HIS 83 Cb 0.00 -3.60 0.17 0.00 1.11 0.00 0.00 32.58 30.26 2fhm s HIS 83 CO 0.00 -1.98 1.08 0.72 -0.85 0.00 0.00 174.74 173.71 2fhm n HIS 84 N -3.34 0.00 -3.98 1.40 8.25 -1.26 -4.82 115.22 111.47 2fhm n HIS 84 Ca 0.11 -0.60 -0.10 0.00 -0.26 0.00 0.00 57.72 56.88 2fhm n HIS 84 Cb 0.60 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.71 1.38 0.44 -0.41 1.04 -1.26 -4.91 118.95 113.52 2fhm s ARG 85 Ca 0.19 -1.23 -0.06 0.00 -1.04 0.00 0.00 55.73 53.59 2fhm s ARG 85 Cb 0.16 0.43 -0.04 0.00 -2.04 0.00 0.00 34.95 33.46 2fhm s ARG 85 CO 0.02 -0.55 0.74 -0.59 -0.04 0.00 0.00 175.30 174.88 2fhm s PHE 86 N -4.00 3.53 0.05 5.89 -0.12 -1.26 -2.49 117.98 119.58 2fhm s PHE 86 Ca 0.21 0.82 -0.03 0.00 -0.05 0.00 0.00 56.93 57.88 2fhm s PHE 86 Cb 0.01 -2.28 -0.03 0.00 -0.63 0.00 0.00 43.02 40.09 2fhm s PHE 86 CO 0.06 -0.17 0.02 -1.12 -0.05 0.00 0.00 175.22 173.96 2fhm s SER 87 N -3.80 0.38 -0.06 1.98 0.01 0.25 -4.91 113.70 107.55 2fhm s SER 87 Ca 0.47 -0.86 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 2fhm s SER 87 Cb -0.10 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.37 2fhm s SER 87 CO 0.40 -0.59 -0.02 -0.63 0.41 0.00 0.00 173.24 172.80 2fhm s ILE 88 N -3.62 0.44 0.07 1.44 1.01 -1.26 -1.30 121.20 117.98 2fhm s ILE 88 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2fhm s ILE 88 Cb 0.05 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 2fhm s ILE 88 CO -0.09 0.23 -0.08 -0.69 0.00 0.00 0.00 174.94 174.32 2fhm s VAL 89 N 1.41 0.66 0.00 2.92 1.01 -0.21 -4.96 120.40 121.23 2fhm s VAL 89 Ca -0.03 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.42 2fhm s VAL 89 Cb -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2fhm s VAL 89 CO -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 175.10 174.46 2fhm n TYR 90 N 0.70 0.00 0.00 5.22 9.36 -1.26 -3.59 117.16 127.59 2fhm n TYR 90 Ca -0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.05 2fhm n TYR 90 Cb 0.58 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.29 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51