#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fhm n LEU 2 N 0.00 0.00 -3.97 -0.89 4.32 -0.77 -4.67 117.00 111.02 2fhm n LEU 2 Ca 0.00 -2.24 -0.09 0.00 -0.02 0.00 0.00 56.01 53.67 2fhm n LEU 2 Cb 0.00 1.49 -0.10 0.00 -1.62 0.00 0.00 43.42 43.19 2fhm n LEU 2 CO 0.00 -0.42 -0.26 -1.58 -1.22 0.00 0.00 177.39 173.90 2fhm s GLN 3 N -2.83 0.58 0.34 3.23 0.74 0.45 -0.97 119.66 121.19 2fhm s GLN 3 Ca 0.26 -0.87 0.09 0.00 0.05 0.00 0.00 55.36 54.89 2fhm s GLN 3 Cb 0.01 0.22 -0.05 0.00 1.10 0.00 0.00 33.01 34.28 2fhm s GLN 3 CO 0.19 -0.13 0.05 1.52 -0.55 0.00 0.00 175.29 176.36 2fhm s TYR 4 N -2.90 2.60 -0.02 1.67 -0.85 -0.20 -0.99 117.35 116.66 2fhm s TYR 4 Ca -0.03 -0.41 0.02 0.00 -0.52 0.00 0.00 57.07 56.14 2fhm s TYR 4 Cb 0.01 -1.52 0.00 0.00 0.38 0.00 0.00 41.96 40.83 2fhm s TYR 4 CO -0.06 0.45 -0.08 0.50 -1.52 0.00 0.00 175.55 174.84 2fhm s ARG 5 N -3.75 0.80 0.00 -3.49 3.52 -0.00 -2.68 118.95 113.35 2fhm s ARG 5 Ca 0.35 -0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 2fhm s ARG 5 Cb -0.01 -0.76 -0.01 0.00 -1.56 0.00 0.00 34.95 32.61 2fhm s ARG 5 CO 0.20 0.12 -0.05 0.42 -0.81 0.00 0.00 175.30 175.18 2fhm s ILE 6 N 0.11 0.41 0.04 4.11 1.01 0.05 -0.79 121.20 126.14 2fhm s ILE 6 Ca -0.01 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.38 2fhm s ILE 6 Cb -0.07 -0.37 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 2fhm s ILE 6 CO 0.00 0.04 -0.21 0.27 0.00 0.00 0.00 174.94 175.04 2fhm s ILE 7 N -0.30 1.68 0.05 2.92 -0.00 -0.44 -1.01 121.20 124.11 2fhm s ILE 7 Ca 0.00 -1.18 0.01 0.00 -0.00 0.00 0.00 60.65 59.47 2fhm s ILE 7 Cb -0.03 -1.46 -0.03 0.00 -0.00 0.00 0.00 42.46 40.94 2fhm s ILE 7 CO -0.00 0.23 -0.05 0.68 -0.00 0.00 0.00 174.94 175.79 2fhm s VAL 8 N -0.78 0.41 0.05 8.37 -7.23 -0.02 -1.24 120.40 119.95 2fhm s VAL 8 Ca 0.08 -1.47 -0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2fhm s VAL 8 Cb -0.09 -1.07 -0.00 0.00 0.56 0.00 0.00 36.38 35.78 2fhm s VAL 8 CO 0.02 -0.70 0.15 -0.62 -0.31 0.00 0.00 175.10 173.64 2fhm s ASP 9 N -2.30 0.11 0.00 4.85 2.15 -0.53 -1.43 116.67 119.51 2fhm s ASP 9 Ca -0.01 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.48 2fhm s ASP 9 Cb -0.01 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 2fhm s ASP 9 CO -0.04 -0.57 0.00 0.61 -0.17 0.00 0.00 175.17 175.00 2fhm n GLY 10 N 0.57 0.59 3.56 2.66 0.00 -1.26 -0.32 105.19 110.98 2fhm n GLY 10 Ca -0.18 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.04 1.61 3.52 -0.19 -4.75 118.95 120.27 2fhm s ARG 11 Ca 0.00 0.04 0.06 0.00 -0.13 0.00 0.00 55.73 55.70 2fhm s ARG 11 Cb 0.00 -4.17 0.09 0.00 -1.56 0.00 0.00 34.95 29.31 2fhm s ARG 11 CO 0.00 -2.12 1.00 1.33 -0.81 0.00 0.00 175.30 174.70 2fhm n VAL 12 N 6.60 0.65 -3.98 7.11 0.24 -1.26 -1.58 118.33 126.12 2fhm n VAL 12 Ca 0.07 -0.77 -0.10 0.00 -2.04 0.00 0.00 64.34 61.51 2fhm n VAL 12 Cb 0.49 0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 33.11 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 -0.96 1.27 0.00 7.34 -1.52 -1.26 -4.59 119.66 119.94 2fhm s GLN 13 Ca 0.10 -1.21 0.00 0.00 -1.95 0.00 0.00 55.36 52.30 2fhm s GLN 13 Cb 0.09 0.40 0.00 0.00 -0.22 0.00 0.00 33.01 33.28 2fhm s GLN 13 CO 0.01 -0.49 0.00 0.41 -0.25 0.00 0.00 175.29 174.97 2fhm n GLY 14 N -0.27 -1.02 5.00 3.09 0.00 -1.26 -4.79 105.19 105.94 2fhm n GLY 14 Ca -0.05 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.45 0.00 0.00 1.61 0.31 -1.26 -3.18 118.33 115.37 2fhm n VAL 15 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2fhm n VAL 15 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.00 0.29 2.92 0.00 -1.26 -5.08 105.19 102.06 2fhm n GLY 16 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.70 0.00 1.61 3.57 -1.84 0.38 116.94 121.36 2fhm h PHE 17 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2fhm h PHE 17 Cb 0.00 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 2fhm h PHE 17 CO 0.00 0.22 -0.35 0.07 -2.23 0.00 0.00 178.31 176.02 2fhm h ARG 18 N 0.62 0.00 -0.17 1.11 0.11 -1.92 -0.90 114.38 113.24 2fhm h ARG 18 Ca 0.40 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.37 2fhm h ARG 18 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2fhm h ARG 18 CO -0.31 0.35 -0.32 -0.92 0.10 0.00 0.00 179.97 178.88 2fhm h TYR 19 N 0.00 0.64 -0.30 4.08 3.20 -1.59 -3.21 116.97 119.80 2fhm h TYR 19 Ca -0.00 -0.23 0.07 0.00 3.14 0.00 0.00 58.73 61.70 2fhm h TYR 19 Cb 0.72 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 2fhm h TYR 19 CO 0.00 0.95 -0.12 0.35 -1.64 0.00 0.00 178.16 177.70 2fhm h PHE 20 N 0.15 -0.29 -0.56 -3.82 3.57 -0.15 0.37 116.94 116.20 2fhm h PHE 20 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2fhm h PHE 20 Cb 0.91 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 2fhm h PHE 20 CO 0.09 -0.19 0.31 -0.39 -2.23 0.00 0.00 178.31 175.90 2fhm h VAL 21 N -0.07 1.17 0.00 1.41 -1.51 -1.30 -0.36 116.25 115.60 2fhm h VAL 21 Ca 0.15 -0.43 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 2fhm h VAL 21 Cb 0.30 0.42 -0.00 0.00 -2.13 0.00 0.00 31.29 29.88 2fhm h VAL 21 CO -0.35 0.19 -0.11 1.56 -1.23 0.00 0.00 177.57 177.63 2fhm h GLN 22 N 0.78 0.00 -0.28 5.19 1.08 -1.15 0.18 115.11 120.91 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 0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2fhm h GLN 22 CO -0.03 0.11 0.08 0.52 -0.95 0.00 0.00 178.83 178.56 2fhm h MET 23 N 0.00 0.43 0.00 1.46 2.86 0.65 -1.48 114.93 118.86 2fhm h MET 23 Ca -0.00 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2fhm h MET 23 Cb 0.76 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 2fhm h MET 23 CO 0.01 0.49 -0.17 0.93 1.06 0.00 0.00 176.91 179.24 2fhm h GLU 24 N 0.28 0.00 0.21 1.72 4.39 -0.42 0.19 114.58 120.95 2fhm h GLU 24 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2fhm h GLU 24 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2fhm h GLU 24 CO -0.00 0.17 -0.10 0.00 -1.16 0.00 0.00 179.01 177.91 2fhm h ALA 25 N 1.83 -0.28 -0.95 3.43 0.00 -0.51 -3.10 119.26 119.69 2fhm h ALA 25 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2fhm h ALA 25 Cb 0.54 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2fhm h ALA 25 CO 0.02 -0.49 0.59 0.22 0.00 0.00 0.00 179.25 179.59 2fhm h ASP 26 N -0.61 1.12 0.43 0.00 3.58 -0.73 -0.05 116.42 120.16 2fhm h ASP 26 Ca -0.03 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2fhm h ASP 26 Cb 0.44 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2fhm h ASP 26 CO 0.05 0.84 0.00 0.07 -2.88 0.00 0.00 179.24 177.32 2fhm h LYS 27 N 1.30 0.00 -0.16 0.28 5.09 -1.03 -0.51 116.57 121.53 2fhm h LYS 27 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.08 2fhm h LYS 27 Cb -0.09 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.24 2fhm h LYS 27 CO -0.07 0.00 0.00 0.54 -2.09 0.00 0.00 179.45 177.83 2fhm n ARG 28 N -2.34 2.55 -2.81 0.07 5.12 -0.59 -4.99 116.66 113.67 2fhm n ARG 28 Ca 0.00 -2.26 -0.14 0.00 -1.93 0.00 0.00 57.85 53.52 2fhm n ARG 28 Cb 0.15 -1.42 -0.01 0.00 -1.16 0.00 0.00 32.46 30.03 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 -0.45 -2.71 -1.46 5.56 5.02 -0.20 -4.91 118.16 119.00 2fhm n LYS 29 Ca 0.13 0.41 -0.30 0.00 -2.02 0.00 0.00 58.31 56.52 2fhm n LYS 29 Cb 0.56 -5.02 0.08 0.00 -0.02 0.00 0.00 35.03 30.64 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 -5.80 2.82 -0.06 -0.35 1.43 -0.15 -4.94 118.68 111.62 2fhm s LEU 30 Ca 0.15 1.53 -0.04 0.00 -1.03 0.00 0.00 54.13 54.75 2fhm s LEU 30 Cb -0.08 -4.23 0.03 0.00 0.03 0.00 0.00 46.19 41.93 2fhm s LEU 30 CO 0.19 -1.88 0.15 0.00 0.23 0.00 0.00 176.35 175.04 2fhm s ALA 31 N -3.04 -0.31 0.00 4.21 0.00 -1.12 -4.49 121.76 117.01 2fhm s ALA 31 Ca 0.60 0.55 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2fhm s ALA 31 Cb -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2fhm s ALA 31 CO 0.55 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2fhm n GLY 32 N 3.63 -0.96 3.28 0.00 0.00 -0.36 -0.70 105.19 110.07 2fhm n GLY 32 Ca -0.20 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 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 1.40 0.06 1.61 1.48 0.45 -0.73 118.94 120.20 2fhm s TRP 33 Ca 0.00 -1.21 0.04 0.00 -1.06 0.00 0.00 56.10 53.87 2fhm s TRP 33 Cb 0.00 -0.79 -0.03 0.00 -1.16 0.00 0.00 33.47 31.49 2fhm s TRP 33 CO 0.00 -0.39 -0.11 0.54 -4.06 0.00 0.00 176.95 172.93 2fhm s VAL 34 N -3.84 0.82 0.01 -0.66 0.11 -0.39 -1.58 120.40 114.87 2fhm s VAL 34 Ca 0.36 -1.18 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 2fhm s VAL 34 Cb 0.07 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 2fhm s VAL 34 CO 0.12 -0.30 0.05 -0.54 -3.33 0.00 0.00 175.10 171.10 2fhm s LYS 35 N -1.64 0.41 0.01 1.54 1.02 -0.16 -1.26 119.74 119.66 2fhm s LYS 35 Ca -0.06 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 2fhm s LYS 35 Cb -0.10 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 2fhm s LYS 35 CO 0.01 -0.08 0.92 1.21 -0.92 0.00 0.00 175.35 176.49 2fhm s ASN 36 N -1.50 7.32 0.19 2.83 3.84 -1.26 -1.07 114.94 125.29 2fhm s ASN 36 Ca -0.14 1.59 -0.30 0.00 0.21 0.00 0.00 52.86 54.22 2fhm s ASN 36 Cb -0.08 -2.54 -0.08 0.00 -0.55 0.00 0.00 41.25 38.00 2fhm s ASN 36 CO -0.00 -0.20 1.01 -0.13 -2.79 0.00 0.00 177.10 175.00 2fhm s ARG 37 N 0.78 4.71 0.60 0.43 0.52 0.23 -4.79 118.95 121.43 2fhm s ARG 37 Ca 0.48 1.59 0.31 0.00 -0.52 0.00 0.00 55.73 57.59 2fhm s ARG 37 Cb -0.21 -3.30 1.82 0.00 0.52 0.00 0.00 34.95 33.79 2fhm s ARG 37 CO 0.26 0.26 2.21 0.22 0.02 0.00 0.00 175.30 178.28 2fhm h ASP 38 N 4.81 0.00 -0.13 0.23 3.58 -1.97 0.12 116.42 123.07 2fhm h ASP 38 Ca -0.44 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.04 2fhm h ASP 38 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 2fhm h ASP 38 CO 0.70 0.00 0.10 -0.78 -2.88 0.00 0.00 179.24 176.39 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 1.82 -2.05 -3.46 116.42 115.01 2fhm h ASP 39 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2fhm h ASP 39 Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2fhm h ASP 39 CO -0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 2fhm n GLY 40 N -1.49 1.16 3.50 -0.78 0.00 0.03 -5.12 105.19 102.48 2fhm n GLY 40 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.12 -0.01 1.61 3.00 -1.25 -4.78 118.95 116.40 2fhm s ARG 41 Ca 0.00 0.53 0.07 0.00 0.00 0.00 0.00 55.73 56.34 2fhm s ARG 41 Cb 0.00 -1.56 -0.02 0.00 0.00 0.00 0.00 34.95 33.38 2fhm s ARG 41 CO 0.00 -3.78 -0.23 0.08 0.00 0.00 0.00 175.30 171.38 2fhm s VAL 42 N -2.58 1.80 0.02 3.52 1.01 -0.51 -0.60 120.40 123.05 2fhm s VAL 42 Ca 0.68 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2fhm s VAL 42 Cb -0.20 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2fhm s VAL 42 CO 0.61 0.48 -0.17 -0.70 0.00 0.00 0.00 175.10 175.32 2fhm s GLU 43 N -0.62 1.24 0.01 2.72 2.12 -0.24 -0.84 118.70 123.10 2fhm s GLU 43 Ca 0.09 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.66 2fhm s GLU 43 Cb -0.09 -1.27 -0.01 0.00 0.26 0.00 0.00 34.13 33.02 2fhm s GLU 43 CO -0.01 0.33 -0.05 0.42 -0.54 0.00 0.00 175.26 175.41 2fhm s ILE 44 N -0.68 0.37 -0.15 -3.70 1.01 -0.18 -0.99 121.20 116.89 2fhm s ILE 44 Ca 0.05 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 2fhm s ILE 44 Cb -0.08 -0.36 0.06 0.00 0.01 0.00 0.00 42.46 42.09 2fhm s ILE 44 CO 0.01 -0.06 0.35 -0.22 0.00 0.00 0.00 174.94 175.01 2fhm s LEU 45 N -0.55 -0.03 0.09 2.97 0.20 -0.62 -0.77 118.68 119.98 2fhm s LEU 45 Ca -0.02 0.76 -0.21 0.00 0.69 0.00 0.00 54.13 55.35 2fhm s LEU 45 Cb -0.04 1.09 0.05 0.00 -0.43 0.00 0.00 46.19 46.86 2fhm s LEU 45 CO -0.00 -0.19 0.51 0.00 -0.29 0.00 0.00 176.35 176.37 2fhm s ALA 46 N 1.61 -1.29 0.09 5.97 0.00 -1.09 -0.41 121.76 126.63 2fhm s ALA 46 Ca -0.07 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 2fhm s ALA 46 Cb -0.10 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2fhm s ALA 46 CO -0.11 -0.60 0.26 -1.83 0.00 0.00 0.00 175.76 173.48 2fhm s GLU 47 N -3.08 3.49 0.00 0.00 -1.05 0.12 -1.03 118.70 117.15 2fhm s GLU 47 Ca -0.02 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 2fhm s GLU 47 Cb -0.00 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 2fhm s GLU 47 CO -0.07 0.56 0.00 0.41 0.95 0.00 0.00 175.26 177.12 2fhm n GLY 48 N 0.17 0.25 3.79 -3.83 0.00 -0.14 -2.78 105.19 102.65 2fhm n GLY 48 Ca -0.04 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2fhm n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fhm s PRO 49 N -2.00 3.07 0.25 1.61 0.04 -1.26 -1.84 135.00 134.86 2fhm s PRO 49 Ca 0.00 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 2fhm s PRO 49 Cb 0.00 -1.99 0.39 0.00 0.04 0.00 0.00 34.50 32.94 2fhm s PRO 49 CO 0.00 -1.02 1.82 1.49 0.04 0.00 0.00 177.00 179.33 2fhm h GLU 50 N 0.16 0.82 -0.71 4.56 4.81 -1.95 -0.61 114.58 121.65 2fhm h GLU 50 Ca -0.46 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 2fhm h GLU 50 Cb 1.23 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2fhm h GLU 50 CO 0.56 0.54 0.32 -0.97 -0.73 0.00 0.00 179.01 178.73 2fhm h ASN 51 N 0.84 0.95 -0.27 1.04 -0.73 -1.99 -0.07 115.58 115.35 2fhm h ASN 51 Ca 0.40 -0.15 -0.04 0.00 1.87 0.00 0.00 56.30 58.38 2fhm h ASN 51 Cb 0.33 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 2fhm h ASN 51 CO -0.23 0.83 -0.01 0.00 -0.37 0.00 0.00 177.43 177.65 2fhm h ALA 52 N 1.15 0.36 -0.47 1.57 0.00 -1.58 -0.43 119.26 119.86 2fhm h ALA 52 Ca 0.24 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2fhm h ALA 52 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2fhm h ALA 52 CO -0.03 0.11 0.31 -0.07 0.00 0.00 0.00 179.25 179.57 2fhm h LEU 53 N 0.26 0.53 -0.29 0.00 3.38 -0.91 -0.67 115.31 117.61 2fhm h LEU 53 Ca 0.08 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 2fhm h LEU 53 Cb 0.43 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2fhm h LEU 53 CO 0.02 0.38 -0.47 1.56 0.09 0.00 0.00 178.44 180.02 2fhm h GLN 54 N 0.63 0.82 -0.97 1.13 1.08 -0.96 -1.39 115.11 115.46 2fhm h GLN 54 Ca 0.18 -0.50 0.01 0.00 -1.45 0.00 0.00 58.65 56.88 2fhm h GLN 54 Cb -0.06 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 2fhm h GLN 54 CO -0.04 1.14 0.63 0.77 -0.95 0.00 0.00 178.83 180.37 2fhm h SER 55 N 0.59 1.12 -0.08 1.46 0.02 -0.89 -1.24 113.55 114.54 2fhm h SER 55 Ca 0.02 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2fhm h SER 55 Cb 1.07 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 2fhm h SER 55 CO 0.11 0.82 0.05 0.15 -1.14 0.00 0.00 176.83 176.82 2fhm h PHE 56 N 1.31 0.10 -0.71 3.45 3.04 -0.99 -1.12 116.94 122.03 2fhm h PHE 56 Ca 0.35 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.41 2fhm h PHE 56 Cb -0.13 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 38.26 2fhm h PHE 56 CO -0.00 0.07 0.33 0.28 -2.02 0.00 0.00 178.31 176.97 2fhm h VAL 57 N 0.10 0.79 -0.73 1.41 2.07 -0.46 -0.34 116.25 119.09 2fhm h VAL 57 Ca 0.03 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2fhm h VAL 57 Cb -0.00 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2fhm h VAL 57 CO -0.01 0.10 0.34 -0.33 0.02 0.00 0.00 177.57 177.69 2fhm h GLU 58 N 0.54 1.06 -0.54 1.57 5.08 -0.99 -0.56 114.58 120.73 2fhm h GLU 58 Ca 0.36 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2fhm h GLU 58 Cb 0.43 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2fhm h GLU 58 CO -0.30 0.84 0.34 0.00 -1.00 0.00 0.00 179.01 178.88 2fhm h ALA 59 N 1.17 0.69 0.28 3.43 0.00 0.13 0.38 119.26 125.33 2fhm h ALA 59 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2fhm h ALA 59 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2fhm h ALA 59 CO -0.03 0.16 -0.13 0.28 0.00 0.00 0.00 179.25 179.52 2fhm h VAL 60 N 0.73 0.77 -0.82 0.00 2.07 -0.87 -2.74 116.25 115.38 2fhm h VAL 60 Ca 0.19 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2fhm h VAL 60 Cb -0.04 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2fhm h VAL 60 CO -0.04 0.08 0.50 0.50 0.02 0.00 0.00 177.57 178.64 2fhm h LYS 61 N -0.57 0.89 0.00 1.57 3.64 -0.88 -0.57 116.57 120.65 2fhm h LYS 61 Ca -0.04 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 2fhm h LYS 61 Cb 0.42 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2fhm h LYS 61 CO 0.06 0.59 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.72 2fhm h ASN 62 N 0.91 0.00 -6.32 4.20 -1.24 -0.94 -3.38 115.58 108.81 2fhm h ASN 62 Ca 0.36 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.90 2fhm h ASN 62 Cb 0.18 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 2fhm h ASN 62 CO -0.18 0.14 -0.82 0.61 -1.29 0.00 0.00 177.43 175.89 2fhm n GLY 63 N 0.04 -0.35 0.24 1.57 0.00 -0.22 -4.89 105.19 101.59 2fhm n GLY 63 Ca 0.00 0.15 -0.06 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 -1.89 -0.63 0.23 1.61 0.02 -1.84 -3.03 113.55 108.02 2fhm h SER 64 Ca -0.60 0.15 -0.33 0.00 -0.84 0.00 0.00 61.79 60.16 2fhm h SER 64 Cb 1.37 0.34 0.03 0.00 0.14 0.00 0.00 62.40 64.28 2fhm h SER 64 CO 0.63 -0.22 -1.52 1.55 -1.14 0.00 0.00 176.83 176.14 2fhm h PRO 65 N -0.12 0.48 -2.57 3.45 0.13 -1.93 -3.49 132.00 127.96 2fhm h PRO 65 Ca 0.19 -0.83 0.13 0.00 -0.87 0.00 0.00 66.00 64.62 2fhm h PRO 65 Cb 0.41 0.31 -0.06 0.00 0.13 0.00 0.00 31.00 31.79 2fhm h PRO 65 CO -0.45 1.40 0.44 -0.59 -0.23 0.00 0.00 178.00 178.56 2fhm s PHE 66 N -2.58 -0.06 0.43 1.56 -0.12 -1.15 -5.17 117.98 110.89 2fhm s PHE 66 Ca -0.12 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.43 2fhm s PHE 66 Cb 0.04 0.69 0.00 0.00 -0.63 0.00 0.00 43.02 43.12 2fhm s PHE 66 CO 0.91 -1.01 0.00 0.43 -0.05 0.00 0.00 175.22 175.50 2fhm n SER 67 N -0.74 -7.69 -3.61 1.98 7.64 -1.26 -4.71 113.62 105.22 2fhm n SER 67 Ca -0.05 0.90 -0.14 0.00 1.01 0.00 0.00 58.87 60.59 2fhm n SER 67 Cb 0.60 -4.13 -0.07 0.00 -1.01 0.00 0.00 64.21 59.60 2fhm n SER 67 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2fhm s LYS 68 N -3.09 0.82 0.54 1.43 0.00 -0.61 -4.46 119.74 114.36 2fhm s LYS 68 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 55.97 56.63 2fhm s LYS 68 Cb 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 37.83 38.16 2fhm s LYS 68 CO 0.00 -0.13 1.00 0.14 0.00 0.00 0.00 175.35 176.36 2fhm s VAL 69 N 0.09 4.40 -0.02 1.79 -7.23 -1.26 -1.02 120.40 117.14 2fhm s VAL 69 Ca -0.01 1.12 0.01 0.00 -1.81 0.00 0.00 61.98 61.29 2fhm s VAL 69 Cb -0.04 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.23 2fhm s VAL 69 CO 0.01 -0.68 0.02 0.35 -0.31 0.00 0.00 175.10 174.50 2fhm n THR 70 N -1.75 0.00 -3.76 5.32 -2.24 0.56 -4.88 114.28 107.53 2fhm n THR 70 Ca 0.07 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2fhm n THR 70 Cb 0.54 0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.33 -0.30 -0.08 3.42 2.15 -0.93 -4.98 116.67 114.61 2fhm s ASP 71 Ca 0.00 0.49 -0.09 0.00 0.43 0.00 0.00 52.55 53.38 2fhm s ASP 71 Cb 0.00 0.57 0.02 0.00 -0.30 0.00 0.00 42.92 43.22 2fhm s ASP 71 CO 0.03 -0.21 0.25 -0.51 -0.17 0.00 0.00 175.17 174.55 2fhm s ILE 72 N -0.27 0.01 0.01 4.11 2.07 -1.26 -1.46 121.20 124.41 2fhm s ILE 72 Ca -0.04 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 2fhm s ILE 72 Cb -0.03 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 2fhm s ILE 72 CO 0.02 -0.04 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.54 2fhm s SER 73 N -0.03 0.37 0.01 4.50 0.01 -0.38 -5.02 113.70 113.17 2fhm s SER 73 Ca -0.02 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2fhm s SER 73 Cb -0.02 0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2fhm s SER 73 CO 0.01 -0.06 -0.01 -0.69 0.41 0.00 0.00 173.24 172.89 2fhm s VAL 74 N -0.51 0.06 0.09 3.43 1.01 -1.26 -1.33 120.40 121.89 2fhm s VAL 74 Ca -0.04 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2fhm s VAL 74 Cb -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 2fhm s VAL 74 CO -0.00 -0.14 -0.14 -0.89 0.00 0.00 0.00 175.10 173.93 2fhm s THR 75 N -0.43 1.19 0.02 3.92 2.01 0.03 -5.01 115.64 117.39 2fhm s THR 75 Ca -0.04 -1.44 0.02 0.00 0.31 0.00 0.00 61.69 60.54 2fhm s THR 75 Cb -0.03 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2fhm s THR 75 CO -0.00 -0.28 -0.06 -1.61 -0.69 0.00 0.00 174.62 171.97 2fhm s GLU 76 N -2.04 0.47 0.07 4.92 2.02 -1.26 -0.82 118.70 122.05 2fhm s GLU 76 Ca 0.02 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.49 2fhm s GLU 76 Cb -0.08 -0.31 -0.04 0.00 0.10 0.00 0.00 34.13 33.80 2fhm s GLU 76 CO 0.02 0.07 -0.05 -1.12 0.02 0.00 0.00 175.26 174.20 2fhm s SER 77 N -1.00 0.76 0.16 -0.19 0.01 -0.16 -4.99 113.70 108.28 2fhm s SER 77 Ca -0.06 -0.91 0.22 0.00 1.31 0.00 0.00 55.95 56.52 2fhm s SER 77 Cb -0.07 0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.23 2fhm s SER 77 CO 0.00 -0.48 0.93 0.54 0.41 0.00 0.00 173.24 174.64 2fhm n ARG 78 N 0.32 0.62 -1.90 12.44 3.00 -1.26 -0.41 116.66 129.46 2fhm n ARG 78 Ca -0.15 0.06 -0.42 0.00 -0.01 0.00 0.00 57.85 57.33 2fhm n ARG 78 Cb 0.60 -1.77 -0.03 0.00 0.00 0.00 0.00 32.46 31.26 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 -5.21 6.58 1.13 0.55 0.01 -1.26 -4.26 113.70 111.24 2fhm s SER 79 Ca -0.02 2.56 -0.16 0.00 1.31 0.00 0.00 55.95 59.64 2fhm s SER 79 Cb 0.10 -2.57 0.25 0.00 0.21 0.00 0.00 66.02 64.01 2fhm s SER 79 CO 0.81 -0.88 1.08 -0.76 0.41 0.00 0.00 173.24 173.90 2fhm s LEU 80 N 2.19 0.93 0.00 2.44 1.02 -1.26 -4.07 118.68 119.93 2fhm s LEU 80 Ca 0.74 0.98 0.00 0.00 0.02 0.00 0.00 54.13 55.86 2fhm s LEU 80 Cb -0.42 -2.89 0.00 0.00 0.02 0.00 0.00 46.19 42.90 2fhm s LEU 80 CO 0.32 -3.82 0.68 -0.62 0.02 0.00 0.00 176.35 172.93 2fhm n GLU 81 N -4.61 1.11 -1.81 1.70 -0.58 -1.26 -5.00 120.64 110.20 2fhm n GLU 81 Ca 0.08 -0.92 -0.20 0.00 -0.42 0.00 0.00 57.16 55.71 2fhm n GLU 81 Cb 0.58 -0.87 -0.06 0.00 -0.57 0.00 0.00 31.44 30.52 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fhm n GLY 82 N -0.23 1.21 3.81 0.62 0.00 -1.26 -4.98 105.19 104.35 2fhm n GLY 82 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.81 3.80 -0.01 1.61 3.76 -1.26 -4.97 115.29 115.41 2fhm s HIS 83 Ca 0.00 1.33 0.01 0.00 -0.15 0.00 0.00 55.06 56.25 2fhm s HIS 83 Cb 0.00 -2.55 0.02 0.00 1.11 0.00 0.00 32.58 31.16 2fhm s HIS 83 CO 0.00 0.55 0.74 0.72 -0.85 0.00 0.00 174.74 175.90 2fhm n HIS 84 N 1.56 0.00 -3.92 1.40 8.25 -1.26 -4.78 115.22 116.48 2fhm n HIS 84 Ca -0.09 -0.21 -0.10 0.00 -0.26 0.00 0.00 57.72 57.07 2fhm n HIS 84 Cb 0.50 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.47 1.23 0.23 -0.41 1.04 -1.26 -4.99 118.95 114.32 2fhm s ARG 85 Ca 0.02 -1.12 -0.05 0.00 -1.04 0.00 0.00 55.73 53.54 2fhm s ARG 85 Cb 0.02 0.41 -0.06 0.00 -2.04 0.00 0.00 34.95 33.28 2fhm s ARG 85 CO 0.00 -0.47 0.49 -0.59 -0.04 0.00 0.00 175.30 174.69 2fhm s PHE 86 N -3.95 3.47 0.02 5.89 -0.12 -1.26 -1.23 117.98 120.80 2fhm s PHE 86 Ca 0.16 0.63 -0.02 0.00 -0.05 0.00 0.00 56.93 57.65 2fhm s PHE 86 Cb 0.02 -2.08 -0.02 0.00 -0.63 0.00 0.00 43.02 40.32 2fhm s PHE 86 CO 0.00 0.28 0.01 -1.12 -0.05 0.00 0.00 175.22 174.34 2fhm s SER 87 N -2.82 0.21 -0.22 1.98 0.01 0.09 -4.91 113.70 108.04 2fhm s SER 87 Ca 0.43 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 57.20 2fhm s SER 87 Cb -0.11 0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.31 2fhm s SER 87 CO 0.27 -0.35 -0.02 -0.63 0.41 0.00 0.00 173.24 172.92 2fhm s ILE 88 N -1.69 1.15 0.11 1.44 1.01 -1.26 -1.26 121.20 120.69 2fhm s ILE 88 Ca -0.13 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 2fhm s ILE 88 Cb -0.08 -1.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 2fhm s ILE 88 CO -0.01 -0.13 1.13 -0.69 0.00 0.00 0.00 174.94 175.24 2fhm s VAL 89 N 1.57 4.04 -0.46 2.92 1.01 -0.39 -4.95 120.40 124.15 2fhm s VAL 89 Ca -0.04 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2fhm s VAL 89 Cb -0.18 -4.02 0.41 0.00 0.00 0.00 0.00 36.38 32.60 2fhm s VAL 89 CO -0.07 0.19 1.91 -1.22 0.00 0.00 0.00 175.10 175.91 2fhm n TYR 90 N 3.22 2.47 0.00 5.22 4.01 -1.26 -4.53 117.16 126.29 2fhm n TYR 90 Ca 0.06 -2.19 0.00 0.00 -0.16 0.00 0.00 57.90 55.61 2fhm n TYR 90 Cb 0.47 -1.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.42 2fhm n TYR 90 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27