#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 1.88 0.04 -0.89 1.02 -0.79 -4.63 118.68 115.31 2fhm s LEU 2 Ca 0.00 -1.66 -0.09 0.00 0.02 0.00 0.00 54.13 52.39 2fhm s LEU 2 Cb 0.00 0.08 0.00 0.00 0.02 0.00 0.00 46.19 46.30 2fhm s LEU 2 CO 0.00 -0.95 0.20 -1.58 0.02 0.00 0.00 176.35 174.04 2fhm s GLN 3 N -3.68 0.71 0.35 1.70 -0.44 0.37 -1.10 119.66 117.56 2fhm s GLN 3 Ca 0.30 -0.65 0.09 0.00 -2.50 0.00 0.00 55.36 52.60 2fhm s GLN 3 Cb 0.03 0.29 -0.06 0.00 -1.64 0.00 0.00 33.01 31.63 2fhm s GLN 3 CO 0.18 -0.21 -0.08 1.52 0.50 0.00 0.00 175.29 177.21 2fhm s TYR 4 N -2.67 2.43 -0.04 1.67 -0.85 -0.16 -1.19 117.35 116.54 2fhm s TYR 4 Ca -0.04 -0.50 0.02 0.00 -0.52 0.00 0.00 57.07 56.03 2fhm s TYR 4 Cb -0.01 -1.42 0.01 0.00 0.38 0.00 0.00 41.96 40.93 2fhm s TYR 4 CO -0.04 0.56 -0.10 0.50 -1.52 0.00 0.00 175.55 174.95 2fhm s ARG 5 N -3.63 1.19 0.00 -3.49 3.52 -0.14 -2.91 118.95 113.50 2fhm s ARG 5 Ca 0.33 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 2fhm s ARG 5 Cb 0.02 -1.07 -0.01 0.00 -1.56 0.00 0.00 34.95 32.33 2fhm s ARG 5 CO 0.17 0.09 -0.09 0.42 -0.81 0.00 0.00 175.30 175.08 2fhm s ILE 6 N 0.36 0.69 -0.05 4.11 1.01 0.12 -0.73 121.20 126.72 2fhm s ILE 6 Ca -0.07 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2fhm s ILE 6 Cb -0.11 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.77 2fhm s ILE 6 CO 0.01 0.11 -0.05 0.27 0.00 0.00 0.00 174.94 175.28 2fhm s ILE 7 N -0.38 0.61 -0.01 2.92 -0.00 -0.35 -0.72 121.20 123.27 2fhm s ILE 7 Ca 0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 60.65 60.52 2fhm s ILE 7 Cb -0.04 -0.63 0.01 0.00 -0.00 0.00 0.00 42.46 41.80 2fhm s ILE 7 CO -0.00 0.25 -0.00 0.68 -0.00 0.00 0.00 174.94 175.86 2fhm s VAL 8 N 0.98 0.07 0.07 8.37 -7.23 0.07 -1.10 120.40 121.64 2fhm s VAL 8 Ca -0.10 0.01 0.05 0.00 -1.81 0.00 0.00 61.98 60.12 2fhm s VAL 8 Cb -0.14 -0.10 -0.03 0.00 0.56 0.00 0.00 36.38 36.67 2fhm s VAL 8 CO -0.00 0.04 -0.13 -0.62 -0.31 0.00 0.00 175.10 174.08 2fhm s ASP 9 N 0.23 1.58 0.00 4.85 2.15 -0.37 -0.89 116.67 124.22 2fhm s ASP 9 Ca -0.02 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.32 2fhm s ASP 9 Cb -0.03 -0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.55 2fhm s ASP 9 CO -0.01 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 2fhm n GLY 10 N 1.18 0.31 3.49 2.66 0.00 -1.26 -0.52 105.19 111.05 2fhm n GLY 10 Ca -0.20 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 3.09 -0.09 1.61 3.00 -0.49 -4.67 116.66 119.11 2fhm n ARG 11 Ca 0.00 -3.17 0.07 0.00 -0.00 0.00 0.00 57.85 54.75 2fhm n ARG 11 Cb 0.00 -3.48 0.11 0.00 0.00 0.00 0.00 32.46 29.09 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 6.31 0.42 -3.67 5.15 0.24 -1.26 -1.45 118.33 124.08 2fhm n VAL 12 Ca 0.49 -0.71 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 2fhm n VAL 12 Cb 0.45 0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.08 0.90 0.00 7.34 2.00 -1.26 -4.29 119.66 123.28 2fhm s GLN 13 Ca 0.21 -0.30 0.00 0.00 -2.00 0.00 0.00 55.36 53.27 2fhm s GLN 13 Cb 0.13 0.40 0.00 0.00 0.80 0.00 0.00 33.01 34.34 2fhm s GLN 13 CO 0.18 -0.30 0.00 0.41 -0.50 0.00 0.00 175.29 175.08 2fhm n GLY 14 N 0.62 0.96 0.00 2.59 0.00 -1.26 -4.85 105.19 103.24 2fhm n GLY 14 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 0.35 -1.02 1.61 0.24 -1.26 -5.00 118.33 111.25 2fhm n VAL 15 Ca 0.00 -0.36 -0.01 0.00 -2.04 0.00 0.00 64.34 61.93 2fhm n VAL 15 Cb 0.00 0.84 -0.00 0.00 -1.47 0.00 0.00 33.84 33.21 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 -0.18 0.47 0.22 7.63 0.00 -1.26 -4.96 105.19 107.12 2fhm n GLY 16 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 -0.01 0.00 1.61 3.57 -1.81 -0.62 116.94 119.68 2fhm h PHE 17 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2fhm h PHE 17 Cb 0.06 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2fhm h PHE 17 CO 0.03 -0.13 0.00 0.07 -2.23 0.00 0.00 178.31 176.05 2fhm h ARG 18 N 0.13 0.00 -0.10 1.11 0.11 -1.93 -0.80 114.38 112.90 2fhm h ARG 18 Ca 0.30 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.29 2fhm h ARG 18 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 2fhm h ARG 18 CO -0.48 0.00 -0.30 -0.92 0.10 0.00 0.00 179.97 178.37 2fhm h TYR 19 N 0.00 0.51 -0.48 4.08 3.20 -1.64 -3.22 116.97 119.41 2fhm h TYR 19 Ca 0.00 -0.20 0.09 0.00 3.14 0.00 0.00 58.73 61.76 2fhm h TYR 19 Cb 0.60 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.70 2fhm h TYR 19 CO 0.00 0.92 -0.01 0.35 -1.64 0.00 0.00 178.16 177.78 2fhm h PHE 20 N -0.05 -0.04 -0.62 -3.82 3.57 -0.08 -0.42 116.94 115.48 2fhm h PHE 20 Ca -0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2fhm h PHE 20 Cb 0.92 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 2fhm h PHE 20 CO 0.11 -0.11 0.28 -0.39 -2.23 0.00 0.00 178.31 175.97 2fhm h VAL 21 N 0.11 1.21 0.00 1.41 -1.51 -1.29 -1.15 116.25 115.02 2fhm h VAL 21 Ca 0.24 -0.61 -0.05 0.00 -1.23 0.00 0.00 66.70 65.06 2fhm h VAL 21 Cb 0.36 0.43 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 2fhm h VAL 21 CO -0.41 0.25 -0.22 1.56 -1.23 0.00 0.00 177.57 177.53 2fhm h GLN 22 N 0.88 0.00 -0.24 5.19 1.08 -1.22 0.21 115.11 121.01 2fhm h GLN 22 Ca 0.21 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2fhm h GLN 22 Cb 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2fhm h GLN 22 CO -0.03 0.22 0.10 0.52 -0.95 0.00 0.00 178.83 178.69 2fhm h MET 23 N 0.00 0.36 -0.15 1.46 2.86 0.01 -1.51 114.93 117.96 2fhm h MET 23 Ca -0.00 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 2fhm h MET 23 Cb 0.84 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 2fhm h MET 23 CO 0.03 0.39 -0.26 0.93 1.06 0.00 0.00 176.91 179.06 2fhm h GLU 24 N 0.25 0.28 0.05 1.72 4.39 -0.40 -0.28 114.58 120.59 2fhm h GLU 24 Ca 0.08 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2fhm h GLU 24 Cb 0.16 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2fhm h GLU 24 CO -0.01 0.52 -0.02 0.00 -1.16 0.00 0.00 179.01 178.34 2fhm h ALA 25 N 1.48 -0.07 -0.68 3.43 0.00 -0.52 -2.44 119.26 120.47 2fhm h ALA 25 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2fhm h ALA 25 Cb 0.60 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2fhm h ALA 25 CO 0.04 -0.51 0.33 0.22 0.00 0.00 0.00 179.25 179.33 2fhm h ASP 26 N -0.12 0.89 -0.03 0.00 3.58 -0.84 0.56 116.42 120.47 2fhm h ASP 26 Ca -0.01 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.32 2fhm h ASP 26 Cb 0.10 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 2fhm h ASP 26 CO 0.01 0.77 0.11 0.50 -2.88 0.00 0.00 179.24 177.75 2fhm h LYS 27 N 0.95 0.00 -0.01 0.28 3.11 -0.93 -1.38 116.57 118.59 2fhm h LYS 27 Ca 0.23 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.07 2fhm h LYS 27 Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 2fhm h LYS 27 CO -0.03 0.00 0.00 -2.13 -2.81 0.00 0.00 179.45 174.48 2fhm n ARG 28 N -3.24 1.95 -4.02 1.90 3.00 -0.63 -5.00 116.66 110.62 2fhm n ARG 28 Ca -0.02 -2.18 -0.33 0.00 -0.00 0.00 0.00 57.85 55.32 2fhm n ARG 28 Cb 0.18 -1.32 -0.03 0.00 0.00 0.00 0.00 32.46 31.29 2fhm n ARG 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2fhm n LYS 29 N -1.06 -2.76 -1.60 -0.14 4.01 0.02 -4.92 118.16 111.71 2fhm n LYS 29 Ca 0.10 0.33 -0.30 0.00 -0.51 0.00 0.00 58.31 57.93 2fhm n LYS 29 Cb 0.50 -5.02 0.08 0.00 -0.51 0.00 0.00 35.03 30.08 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 -6.99 2.70 -0.05 -0.35 1.43 -0.24 -4.91 118.68 110.26 2fhm s LEU 30 Ca 0.66 1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 55.05 2fhm s LEU 30 Cb -0.36 -3.98 0.03 0.00 0.03 0.00 0.00 46.19 41.91 2fhm s LEU 30 CO 0.81 -1.83 0.12 0.00 0.23 0.00 0.00 176.35 175.68 2fhm s ALA 31 N -3.17 -0.19 0.00 4.21 0.00 -1.02 -4.57 121.76 117.02 2fhm s ALA 31 Ca 0.60 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2fhm s ALA 31 Cb -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2fhm s ALA 31 CO 0.54 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2fhm n GLY 32 N 4.09 -0.69 3.20 0.00 0.00 0.02 -0.61 105.19 111.20 2fhm n GLY 32 Ca -0.25 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 1.04 0.01 1.61 -2.14 0.16 -0.91 118.94 115.72 2fhm s TRP 33 Ca 0.00 -1.05 0.03 0.00 2.66 0.00 0.00 56.10 57.74 2fhm s TRP 33 Cb 0.00 -0.60 -0.01 0.00 -3.10 0.00 0.00 33.47 29.76 2fhm s TRP 33 CO 0.00 -0.28 -0.09 0.54 -2.66 0.00 0.00 176.95 174.46 2fhm s VAL 34 N -3.75 0.71 0.01 -0.66 0.11 -0.44 -1.46 120.40 114.92 2fhm s VAL 34 Ca 0.21 -0.57 -0.14 0.00 -2.93 0.00 0.00 61.98 58.55 2fhm s VAL 34 Cb 0.06 -0.63 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 2fhm s VAL 34 CO 0.01 0.07 0.29 -0.75 -3.33 0.00 0.00 175.10 171.39 2fhm s LYS 35 N -0.57 0.70 -0.25 1.54 2.20 -0.18 -1.31 119.74 121.88 2fhm s LYS 35 Ca 0.01 -0.33 -0.22 0.00 -0.36 0.00 0.00 55.97 55.07 2fhm s LYS 35 Cb -0.05 0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2fhm s LYS 35 CO 0.00 -0.20 0.70 1.21 -0.36 0.00 0.00 175.35 176.69 2fhm s ASN 36 N -1.62 6.67 0.56 1.43 2.47 -1.26 -0.74 114.94 122.45 2fhm s ASN 36 Ca -0.10 0.82 -0.17 0.00 0.42 0.00 0.00 52.86 53.83 2fhm s ASN 36 Cb -0.04 -2.37 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 2fhm s ASN 36 CO 0.01 -0.42 1.06 -0.60 -3.72 0.00 0.00 177.10 173.43 2fhm s ARG 37 N 2.61 3.45 0.56 0.43 3.52 0.09 -4.87 118.95 124.72 2fhm s ARG 37 Ca 0.29 1.26 0.28 0.00 -0.13 0.00 0.00 55.73 57.43 2fhm s ARG 37 Cb -0.15 -2.05 1.63 0.00 -1.56 0.00 0.00 34.95 32.81 2fhm s ARG 37 CO 0.08 -0.71 2.17 0.22 -0.81 0.00 0.00 175.30 176.25 2fhm h ASP 38 N 0.77 0.00 0.03 -2.12 3.58 -1.94 -1.13 116.42 115.61 2fhm h ASP 38 Ca -0.48 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 2fhm h ASP 38 Cb 1.22 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 2fhm h ASP 38 CO 0.58 0.05 -0.02 -0.78 -2.88 0.00 0.00 179.24 176.19 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.03 -3.46 116.42 116.79 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 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2fhm h ASP 39 CO 0.01 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 2fhm n GLY 40 N -1.36 1.07 3.71 -0.78 0.00 -0.43 -5.10 105.19 102.30 2fhm n GLY 40 Ca -0.03 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 1.33 0.27 1.61 1.70 -1.26 -4.73 118.95 117.86 2fhm s ARG 41 Ca 0.00 0.97 -0.01 0.00 -0.47 0.00 0.00 55.73 56.22 2fhm s ARG 41 Cb 0.00 -1.80 -0.04 0.00 -0.57 0.00 0.00 34.95 32.53 2fhm s ARG 41 CO 0.00 -2.24 0.47 0.08 -1.08 0.00 0.00 175.30 172.53 2fhm s VAL 42 N -2.87 5.14 0.00 4.99 1.01 -0.07 -0.73 120.40 127.87 2fhm s VAL 42 Ca 0.64 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2fhm s VAL 42 Cb -0.19 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2fhm s VAL 42 CO 0.57 -0.33 -0.08 -0.70 0.00 0.00 0.00 175.10 174.56 2fhm s GLU 43 N -3.71 0.63 -0.00 2.72 2.12 0.08 -0.75 118.70 119.79 2fhm s GLU 43 Ca 0.40 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.39 2fhm s GLU 43 Cb -0.10 -0.59 -0.01 0.00 0.26 0.00 0.00 34.13 33.69 2fhm s GLU 43 CO 0.31 0.16 -0.08 0.42 -0.54 0.00 0.00 175.26 175.53 2fhm s ILE 44 N -0.36 0.63 -0.17 -3.70 1.01 0.10 -1.01 121.20 117.70 2fhm s ILE 44 Ca 0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 2fhm s ILE 44 Cb -0.04 -0.54 0.08 0.00 0.01 0.00 0.00 42.46 41.97 2fhm s ILE 44 CO -0.00 0.12 0.35 -0.22 0.00 0.00 0.00 174.94 175.19 2fhm s LEU 45 N -0.33 -0.50 0.13 2.97 0.20 -0.53 -0.70 118.68 119.91 2fhm s LEU 45 Ca 0.02 0.78 -0.15 0.00 0.69 0.00 0.00 54.13 55.47 2fhm s LEU 45 Cb -0.04 1.07 0.03 0.00 -0.43 0.00 0.00 46.19 46.82 2fhm s LEU 45 CO -0.00 -0.24 0.39 0.00 -0.29 0.00 0.00 176.35 176.21 2fhm s ALA 46 N 2.53 -0.87 0.17 5.97 0.00 -1.15 -0.67 121.76 127.75 2fhm s ALA 46 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 51.91 2fhm s ALA 46 Cb -0.12 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2fhm s ALA 46 CO -0.11 -0.64 0.11 -1.83 0.00 0.00 0.00 175.76 173.29 2fhm s GLU 47 N -3.81 2.79 0.00 0.00 -1.05 0.22 -0.99 118.70 115.85 2fhm s GLU 47 Ca 0.03 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.93 2fhm s GLU 47 Cb 0.02 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 2fhm s GLU 47 CO -0.12 0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.98 2fhm n GLY 48 N -0.31 0.05 3.77 -3.83 0.00 -0.26 -2.44 105.19 102.17 2fhm n GLY 48 Ca -0.09 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 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 2.99 0.23 1.61 0.04 -1.26 -1.89 135.00 134.72 2fhm s PRO 49 Ca 0.00 1.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.43 2fhm s PRO 49 Cb 0.00 -1.97 0.34 0.00 0.04 0.00 0.00 34.50 32.91 2fhm s PRO 49 CO 0.00 -1.11 1.80 1.49 0.04 0.00 0.00 177.00 179.22 2fhm h GLU 50 N 0.41 0.68 -0.80 4.56 4.81 -1.95 -0.53 114.58 121.76 2fhm h GLU 50 Ca -0.48 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 2fhm h GLU 50 Cb 1.25 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2fhm h GLU 50 CO 0.55 0.45 0.36 -0.97 -0.73 0.00 0.00 179.01 178.67 2fhm h ASN 51 N 0.70 1.07 -0.23 1.04 -1.24 -1.99 -0.16 115.58 114.77 2fhm h ASN 51 Ca 0.36 -0.15 -0.05 0.00 0.71 0.00 0.00 56.30 57.17 2fhm h ASN 51 Cb 0.33 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 2fhm h ASN 51 CO -0.24 0.92 -0.07 0.00 -1.29 0.00 0.00 177.43 176.75 2fhm h ALA 52 N 1.19 0.32 -0.54 1.57 0.00 -1.57 -0.49 119.26 119.74 2fhm h ALA 52 Ca 0.27 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2fhm h ALA 52 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2fhm h ALA 52 CO -0.03 0.12 0.34 -0.07 0.00 0.00 0.00 179.25 179.61 2fhm h LEU 53 N 0.18 0.56 -0.42 0.00 3.38 -0.91 -0.60 115.31 117.49 2fhm h LEU 53 Ca 0.06 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2fhm h LEU 53 Cb 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2fhm h LEU 53 CO 0.03 0.40 -0.27 1.56 0.09 0.00 0.00 178.44 180.24 2fhm h GLN 54 N 0.67 0.93 -0.71 1.13 1.08 -0.97 -0.76 115.11 116.48 2fhm h GLN 54 Ca 0.21 -0.44 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2fhm h GLN 54 Cb -0.01 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2fhm h GLN 54 CO -0.08 1.10 0.44 0.77 -0.95 0.00 0.00 178.83 180.11 2fhm h SER 55 N 0.76 0.84 -0.13 1.46 0.02 -0.78 -0.94 113.55 114.80 2fhm h SER 55 Ca 0.09 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2fhm h SER 55 Cb 0.86 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2fhm h SER 55 CO 0.08 0.65 0.06 0.15 -1.14 0.00 0.00 176.83 176.62 2fhm h PHE 56 N 0.96 0.12 -0.78 3.45 3.04 -0.97 -1.21 116.94 121.55 2fhm h PHE 56 Ca 0.26 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.29 2fhm h PHE 56 Cb -0.05 -0.04 -0.07 0.00 2.56 0.00 0.00 35.95 38.36 2fhm h PHE 56 CO -0.02 0.07 0.44 0.28 -2.02 0.00 0.00 178.31 177.06 2fhm h VAL 57 N 0.14 0.93 -0.66 1.41 2.07 -0.48 0.16 116.25 119.82 2fhm h VAL 57 Ca 0.05 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2fhm h VAL 57 Cb 0.00 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 2fhm h VAL 57 CO -0.03 0.14 0.27 -0.33 0.02 0.00 0.00 177.57 177.63 2fhm h GLU 58 N 0.76 0.98 -0.61 1.57 4.39 -0.93 0.13 114.58 120.88 2fhm h GLU 58 Ca 0.36 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2fhm h GLU 58 Cb 0.30 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2fhm h GLU 58 CO -0.23 0.82 0.38 0.00 -1.16 0.00 0.00 179.01 178.83 2fhm h ALA 59 N 1.11 0.77 0.16 3.43 0.00 0.04 -0.16 119.26 124.61 2fhm h ALA 59 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2fhm h ALA 59 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2fhm h ALA 59 CO -0.02 0.23 -0.08 0.28 0.00 0.00 0.00 179.25 179.66 2fhm h VAL 60 N 0.82 0.95 -0.87 0.00 2.07 -0.75 -2.71 116.25 115.76 2fhm h VAL 60 Ca 0.22 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.28 2fhm h VAL 60 Cb -0.06 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2fhm h VAL 60 CO -0.04 0.12 0.54 0.50 0.02 0.00 0.00 177.57 178.70 2fhm h LYS 61 N -0.47 0.93 0.00 1.57 3.64 -0.74 -0.28 116.57 121.22 2fhm h LYS 61 Ca -0.02 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2fhm h LYS 61 Cb 0.37 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2fhm h LYS 61 CO 0.04 0.62 -0.06 -0.97 -2.27 0.00 0.00 179.45 176.80 2fhm h ASN 62 N 0.96 0.00 -6.40 4.20 -1.24 -1.05 -3.44 115.58 108.60 2fhm h ASN 62 Ca 0.39 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.90 2fhm h ASN 62 Cb 0.21 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.19 2fhm h ASN 62 CO -0.19 0.06 -0.78 0.61 -1.29 0.00 0.00 177.43 175.84 2fhm n GLY 63 N 0.31 -0.48 0.34 1.57 0.00 -0.12 -4.86 105.19 101.95 2fhm n GLY 63 Ca 0.01 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.95 -1.15 -0.01 1.61 0.02 -1.84 -1.65 113.55 108.58 2fhm h SER 64 Ca -0.58 0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 2fhm h SER 64 Cb 1.38 0.58 0.00 0.00 0.14 0.00 0.00 62.40 64.49 2fhm h SER 64 CO 0.70 -0.30 -0.02 1.55 -1.14 0.00 0.00 176.83 177.61 2fhm h PRO 65 N -0.15 0.03 0.00 3.45 0.13 -1.93 -3.45 132.00 130.09 2fhm h PRO 65 Ca 0.24 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2fhm h PRO 65 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2fhm h PRO 65 CO -0.69 0.61 0.00 1.97 -0.23 0.00 0.00 178.00 179.66 2fhm n PHE 66 N -4.78 0.00 0.35 1.56 1.16 -1.03 -5.13 117.46 109.59 2fhm n PHE 66 Ca -0.09 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.33 2fhm n PHE 66 Cb 0.31 0.06 -0.08 0.00 -1.61 0.00 0.00 39.48 38.15 2fhm n PHE 66 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 2fhm h SER 67 N 0.00 -0.74 -5.19 5.98 0.02 -1.62 -3.48 113.55 108.52 2fhm h SER 67 Ca 0.00 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2fhm h SER 67 Cb 0.43 0.19 -0.13 0.00 0.14 0.00 0.00 62.40 63.02 2fhm h SER 67 CO 0.00 -0.44 -0.35 -1.59 -1.14 0.00 0.00 176.83 173.31 2fhm s LYS 68 N -5.48 0.95 0.21 3.45 0.00 -0.53 -4.55 119.74 113.80 2fhm s LYS 68 Ca -0.16 -1.02 0.07 0.00 0.00 0.00 0.00 55.97 54.85 2fhm s LYS 68 Cb 0.03 0.36 -0.04 0.00 0.00 0.00 0.00 37.83 38.17 2fhm s LYS 68 CO 0.56 -0.32 0.11 0.14 0.00 0.00 0.00 175.35 175.84 2fhm s VAL 69 N -3.89 4.21 0.00 1.79 -7.23 -1.26 -1.39 120.40 112.63 2fhm s VAL 69 Ca 0.09 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2fhm s VAL 69 Cb 0.04 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.78 2fhm s VAL 69 CO -0.08 -0.22 0.00 0.35 -0.31 0.00 0.00 175.10 174.84 2fhm n THR 70 N -0.65 0.00 -3.75 5.32 -2.24 0.33 -4.90 114.28 108.39 2fhm n THR 70 Ca -0.08 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2fhm n THR 70 Cb 0.56 0.87 -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 -0.76 -0.30 -0.07 3.42 2.15 -0.78 -5.00 116.67 115.32 2fhm s ASP 71 Ca 0.00 0.44 -0.11 0.00 0.43 0.00 0.00 52.55 53.31 2fhm s ASP 71 Cb 0.00 0.55 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 2fhm s ASP 71 CO 0.00 -0.29 0.28 -0.51 -0.17 0.00 0.00 175.17 174.49 2fhm s ILE 72 N -0.54 0.03 0.01 4.11 2.07 -1.26 -1.23 121.20 124.39 2fhm s ILE 72 Ca -0.06 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 58.96 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 0.02 -0.12 -0.02 -0.44 -1.91 0.00 0.00 174.94 172.47 2fhm s SER 73 N -0.45 0.21 -0.01 4.50 0.01 -0.26 -5.01 113.70 112.70 2fhm s SER 73 Ca -0.06 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 2fhm s SER 73 Cb -0.04 0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.24 2fhm s SER 73 CO 0.02 -0.15 0.03 -0.69 0.41 0.00 0.00 173.24 172.86 2fhm s VAL 74 N -0.77 0.03 0.06 3.43 1.01 -1.26 -1.21 120.40 121.69 2fhm s VAL 74 Ca -0.08 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2fhm s VAL 74 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2fhm s VAL 74 CO -0.00 -0.13 -0.12 -0.89 0.00 0.00 0.00 175.10 173.96 2fhm s THR 75 N -0.37 0.93 0.03 3.92 2.01 0.09 -5.01 115.64 117.23 2fhm s THR 75 Ca -0.04 -1.26 0.01 0.00 0.31 0.00 0.00 61.69 60.70 2fhm s THR 75 Cb -0.03 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 2fhm s THR 75 CO -0.00 -0.30 -0.05 -1.61 -0.69 0.00 0.00 174.62 171.97 2fhm s GLU 76 N -1.77 0.40 0.14 4.92 2.02 -1.26 -0.97 118.70 122.18 2fhm s GLU 76 Ca -0.04 -0.63 -0.10 0.00 0.02 0.00 0.00 54.97 54.22 2fhm s GLU 76 Cb -0.09 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.04 2fhm s GLU 76 CO 0.02 0.01 0.29 -1.12 0.02 0.00 0.00 175.26 174.47 2fhm s SER 77 N -1.38 0.01 0.13 -0.19 0.01 -0.33 -5.00 113.70 106.95 2fhm s SER 77 Ca -0.12 -0.70 0.26 0.00 1.31 0.00 0.00 55.95 56.71 2fhm s SER 77 Cb -0.09 0.42 0.82 0.00 0.21 0.00 0.00 66.02 67.38 2fhm s SER 77 CO -0.00 -0.85 1.71 0.54 0.41 0.00 0.00 173.24 175.05 2fhm n ARG 78 N -0.17 0.18 -1.73 12.44 3.00 -1.26 -0.48 116.66 128.64 2fhm n ARG 78 Ca -0.11 0.12 -0.18 0.00 -0.01 0.00 0.00 57.85 57.67 2fhm n ARG 78 Cb 0.63 -1.69 -0.07 0.00 0.00 0.00 0.00 32.46 31.33 2fhm n ARG 78 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2fhm s SER 79 N -3.98 4.24 0.54 0.55 0.01 -1.26 -4.61 113.70 109.18 2fhm s SER 79 Ca 0.11 -0.31 -0.21 0.00 1.31 0.00 0.00 55.95 56.85 2fhm s SER 79 Cb 0.15 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 2fhm s SER 79 CO 0.61 -3.62 1.25 -0.76 0.41 0.00 0.00 173.24 171.13 2fhm s LEU 80 N 13.55 3.84 0.14 2.44 1.43 -1.26 -4.64 118.68 134.18 2fhm s LEU 80 Ca 0.84 2.51 0.11 0.00 -1.03 0.00 0.00 54.13 56.56 2fhm s LEU 80 Cb -0.10 -4.37 -0.13 0.00 0.03 0.00 0.00 46.19 41.62 2fhm s LEU 80 CO 0.06 -1.39 1.22 -0.33 0.23 0.00 0.00 176.35 176.15 2fhm h GLU 81 N 1.44 0.00 -0.12 1.70 4.39 -1.93 -3.48 114.58 116.59 2fhm h GLU 81 Ca -0.50 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.16 2fhm h GLU 81 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2fhm h GLU 81 CO 0.57 0.74 -0.03 0.41 -1.16 0.00 0.00 179.01 179.54 2fhm n GLY 82 N 1.34 0.47 3.81 -3.84 0.00 -1.26 -5.06 105.19 100.65 2fhm n GLY 82 Ca -0.02 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.07 3.17 0.00 1.61 5.04 -1.26 -4.99 115.29 116.79 2fhm s HIS 83 Ca 0.00 1.59 0.00 0.00 -1.54 0.00 0.00 55.06 55.11 2fhm s HIS 83 Cb 0.00 -2.95 0.00 0.00 0.04 0.00 0.00 32.58 29.67 2fhm s HIS 83 CO 0.00 -0.45 0.60 0.72 -2.34 0.00 0.00 174.74 173.27 2fhm n HIS 84 N -0.83 0.00 -4.06 3.88 8.25 -1.26 -4.82 115.22 116.39 2fhm n HIS 84 Ca 0.08 -0.12 -0.14 0.00 -0.26 0.00 0.00 57.72 57.28 2fhm n HIS 84 Cb 0.53 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.25 1.89 -0.02 -0.41 1.70 -1.26 -5.02 118.95 115.59 2fhm s ARG 85 Ca 0.00 -1.68 -0.02 0.00 -0.47 0.00 0.00 55.73 53.55 2fhm s ARG 85 Cb 0.00 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2fhm s ARG 85 CO 0.00 -0.79 0.14 -0.59 -1.08 0.00 0.00 175.30 172.97 2fhm s PHE 86 N -3.10 3.45 0.09 5.89 -0.12 -1.26 -0.80 117.98 122.13 2fhm s PHE 86 Ca 0.29 0.32 -0.03 0.00 -0.05 0.00 0.00 56.93 57.46 2fhm s PHE 86 Cb -0.01 -1.81 -0.03 0.00 -0.63 0.00 0.00 43.02 40.54 2fhm s PHE 86 CO 0.18 0.62 0.05 -1.12 -0.05 0.00 0.00 175.22 174.90 2fhm s SER 87 N -1.73 0.35 -0.06 1.98 0.01 -0.09 -4.94 113.70 109.22 2fhm s SER 87 Ca 0.24 -0.99 0.01 0.00 1.31 0.00 0.00 55.95 56.52 2fhm s SER 87 Cb -0.12 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.40 2fhm s SER 87 CO 0.15 -0.68 -0.04 -0.63 0.41 0.00 0.00 173.24 172.45 2fhm s ILE 88 N -3.95 0.58 0.16 1.44 1.01 -1.26 -1.32 121.20 117.86 2fhm s ILE 88 Ca 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 2fhm s ILE 88 Cb 0.07 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 2fhm s ILE 88 CO -0.06 0.25 0.21 0.54 0.00 0.00 0.00 174.94 175.88 2fhm s VAL 89 N 1.18 0.07 -0.34 2.92 0.11 -0.43 -4.95 120.40 118.97 2fhm s VAL 89 Ca -0.07 -1.61 0.16 0.00 -2.93 0.00 0.00 61.98 57.54 2fhm s VAL 89 Cb -0.14 -1.98 0.44 0.00 -1.53 0.00 0.00 36.38 33.18 2fhm s VAL 89 CO -0.01 -0.31 0.99 0.00 -3.33 0.00 0.00 175.10 172.43 2fhm n TYR 90 N -0.19 0.56 0.00 1.54 9.36 -1.26 -4.18 117.16 123.00 2fhm n TYR 90 Ca -0.06 -2.74 0.00 0.00 3.32 0.00 0.00 57.90 58.42 2fhm n TYR 90 Cb 0.63 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51