#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 1.72 0.07 4.03 1.02 -0.58 -4.33 118.68 120.61 2fhm s LEU 2 Ca 0.00 -1.62 -0.10 0.00 0.02 0.00 0.00 54.13 52.43 2fhm s LEU 2 Cb 0.00 0.25 0.01 0.00 0.02 0.00 0.00 46.19 46.46 2fhm s LEU 2 CO 0.00 -0.94 0.22 -1.58 0.02 0.00 0.00 176.35 174.07 2fhm s GLN 3 N -3.72 0.81 0.37 1.70 0.74 -0.75 -1.34 119.66 117.46 2fhm s GLN 3 Ca 0.35 -0.79 0.07 0.00 0.05 0.00 0.00 55.36 55.05 2fhm s GLN 3 Cb 0.04 0.34 -0.07 0.00 1.10 0.00 0.00 33.01 34.41 2fhm s GLN 3 CO 0.19 -0.26 -0.02 1.52 -0.55 0.00 0.00 175.29 176.17 2fhm s TYR 4 N -3.31 2.39 -0.02 1.67 -0.85 -0.41 -0.76 117.35 116.07 2fhm s TYR 4 Ca 0.01 -0.65 0.02 0.00 -0.52 0.00 0.00 57.07 55.93 2fhm s TYR 4 Cb 0.02 -1.57 0.01 0.00 0.38 0.00 0.00 41.96 40.80 2fhm s TYR 4 CO -0.08 0.44 -0.06 0.50 -1.52 0.00 0.00 175.55 174.83 2fhm s ARG 5 N -3.70 0.67 0.01 -3.49 3.52 -0.16 -3.12 118.95 112.70 2fhm s ARG 5 Ca 0.34 -0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 2fhm s ARG 5 Cb 0.07 -0.67 -0.01 0.00 -1.56 0.00 0.00 34.95 32.78 2fhm s ARG 5 CO 0.17 0.05 -0.05 0.42 -0.81 0.00 0.00 175.30 175.08 2fhm s ILE 6 N 0.31 0.33 -0.02 4.11 1.01 -0.13 -0.61 121.20 126.20 2fhm s ILE 6 Ca -0.04 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2fhm s ILE 6 Cb -0.08 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2fhm s ILE 6 CO -0.00 -0.15 -0.07 0.27 0.00 0.00 0.00 174.94 174.99 2fhm s ILE 7 N -0.69 0.62 0.04 2.92 -0.00 -0.53 -0.86 121.20 122.70 2fhm s ILE 7 Ca -0.05 -0.28 -0.05 0.00 -0.00 0.00 0.00 60.65 60.28 2fhm s ILE 7 Cb -0.05 -0.56 -0.02 0.00 -0.00 0.00 0.00 42.46 41.83 2fhm s ILE 7 CO -0.00 0.20 0.07 0.68 -0.00 0.00 0.00 174.94 175.89 2fhm s VAL 8 N 0.18 0.14 0.06 8.37 -7.23 -0.19 -0.96 120.40 120.77 2fhm s VAL 8 Ca -0.02 -1.18 -0.08 0.00 -1.81 0.00 0.00 61.98 58.88 2fhm s VAL 8 Cb -0.07 -0.96 -0.00 0.00 0.56 0.00 0.00 36.38 35.91 2fhm s VAL 8 CO 0.00 -0.65 0.16 -0.62 -0.31 0.00 0.00 175.10 173.68 2fhm s ASP 9 N -2.23 0.12 0.00 4.85 2.15 -0.67 -0.84 116.67 120.06 2fhm s ASP 9 Ca -0.04 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.39 2fhm s ASP 9 Cb -0.00 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 2fhm s ASP 9 CO -0.05 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 174.93 2fhm n GLY 10 N 0.34 0.24 2.23 2.66 0.00 -1.26 -0.60 105.19 108.79 2fhm n GLY 10 Ca -0.17 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 2fhm n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2fhm n ARG 11 N 0.00 2.35 0.09 1.61 0.63 0.15 -4.48 116.66 117.03 2fhm n ARG 11 Ca 0.00 -1.34 0.13 0.00 -0.92 0.00 0.00 57.85 55.71 2fhm n ARG 11 Cb 0.00 -2.26 0.45 0.00 0.45 0.00 0.00 32.46 31.10 2fhm n ARG 11 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2fhm n VAL 12 N 3.12 0.61 -4.20 5.15 0.24 -1.17 -1.20 118.33 120.87 2fhm n VAL 12 Ca 0.50 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.34 62.56 2fhm n VAL 12 Cb 0.52 -0.75 -0.11 0.00 -1.47 0.00 0.00 33.84 32.03 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 -3.14 0.92 0.00 7.34 2.00 -1.26 -4.41 119.66 121.11 2fhm s GLN 13 Ca 0.09 -1.21 0.00 0.00 -2.00 0.00 0.00 55.36 52.24 2fhm s GLN 13 Cb 0.12 -0.67 0.00 0.00 0.80 0.00 0.00 33.01 33.26 2fhm s GLN 13 CO 0.52 0.11 0.00 0.41 -0.50 0.00 0.00 175.29 175.83 2fhm n GLY 14 N 0.50 -0.31 0.33 2.59 0.00 -1.26 -4.91 105.19 102.12 2fhm n GLY 14 Ca -0.15 -1.00 0.17 0.00 0.00 0.00 0.00 46.02 45.04 2fhm n GLY 14 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2fhm h VAL 15 N 0.00 0.40 -0.01 1.61 -1.51 -1.96 -0.15 116.25 114.62 2fhm h VAL 15 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2fhm h VAL 15 Cb 0.00 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.05 2fhm h VAL 15 CO 0.00 0.00 -0.02 0.61 -1.23 0.00 0.00 177.57 176.93 2fhm n GLY 16 N -1.33 -0.39 7.00 5.19 0.00 -1.26 -5.04 105.19 109.37 2fhm n GLY 16 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2fhm n GLY 16 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2fhm n PHE 17 N -0.29 0.00 1.61 1.61 7.35 -0.07 -1.03 117.46 126.64 2fhm n PHE 17 Ca 0.20 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 57.03 2fhm n PHE 17 Cb 0.28 0.02 0.64 0.00 0.35 0.00 0.00 39.48 40.77 2fhm n PHE 17 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2fhm n ARG 18 N 3.82 1.33 -0.03 -4.13 1.85 -1.26 -4.28 116.66 113.96 2fhm n ARG 18 Ca 0.00 -0.59 0.04 0.00 -1.00 0.00 0.00 57.85 56.30 2fhm n ARG 18 Cb 0.00 -1.49 0.40 0.00 -1.05 0.00 0.00 32.46 30.33 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 1.45 0.57 -0.90 2.89 3.20 -1.71 -2.18 116.97 120.28 2fhm h TYR 19 Ca 0.00 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.02 2fhm h TYR 19 Cb 0.35 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 2fhm h TYR 19 CO 0.00 0.35 0.58 0.27 -1.64 0.00 0.00 178.16 177.72 2fhm h PHE 20 N 0.61 0.87 -0.49 -3.82 -5.15 -1.27 -0.12 116.94 107.57 2fhm h PHE 20 Ca 0.17 0.02 0.01 0.00 -0.20 0.00 0.00 57.97 57.97 2fhm h PHE 20 Cb -0.06 -0.28 -0.03 0.00 0.22 0.00 0.00 35.95 35.81 2fhm h PHE 20 CO -0.00 0.34 0.32 0.28 -2.00 0.00 0.00 178.31 177.24 2fhm h VAL 21 N 0.75 1.12 0.00 0.88 2.07 -1.68 -1.29 116.25 118.10 2fhm h VAL 21 Ca 0.45 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.74 2fhm h VAL 21 Cb 0.65 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2fhm h VAL 21 CO -0.21 0.12 0.00 1.56 0.02 0.00 0.00 177.57 179.06 2fhm h GLN 22 N 0.65 0.00 -0.08 1.57 1.08 -1.16 0.03 115.11 117.19 2fhm h GLN 22 Ca 0.18 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2fhm h GLN 22 Cb -0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2fhm h GLN 22 CO -0.05 0.00 0.03 0.52 -0.95 0.00 0.00 178.83 178.39 2fhm h MET 23 N 0.00 0.13 0.00 1.46 2.86 -0.42 -1.04 114.93 117.92 2fhm h MET 23 Ca 0.00 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 2fhm h MET 23 Cb 0.90 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2fhm h MET 23 CO 0.00 0.25 -0.48 0.93 1.06 0.00 0.00 176.91 178.67 2fhm h GLU 24 N -0.02 0.00 -0.10 1.72 4.39 -0.85 -0.86 114.58 118.86 2fhm h GLU 24 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2fhm h GLU 24 Cb 0.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2fhm h GLU 24 CO -0.00 0.48 0.02 0.00 -1.16 0.00 0.00 179.01 178.35 2fhm h ALA 25 N 1.52 0.13 -0.91 3.43 0.00 -0.94 -2.86 119.26 119.64 2fhm h ALA 25 Ca -0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2fhm h ALA 25 Cb 0.85 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2fhm h ALA 25 CO 0.06 -0.24 0.60 0.22 0.00 0.00 0.00 179.25 179.89 2fhm h ASP 26 N -0.04 1.04 0.00 0.00 3.58 -0.82 -0.36 116.42 119.81 2fhm h ASP 26 Ca 0.03 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2fhm h ASP 26 Cb 0.25 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2fhm h ASP 26 CO 0.00 0.75 0.03 0.50 -2.88 0.00 0.00 179.24 177.64 2fhm h LYS 27 N 1.23 0.00 -0.09 0.28 3.11 -1.06 -0.15 116.57 119.89 2fhm h LYS 27 Ca 0.33 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.17 2fhm h LYS 27 Cb -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.10 2fhm h LYS 27 CO -0.07 0.00 0.00 0.54 -2.81 0.00 0.00 179.45 177.11 2fhm n ARG 28 N -2.76 2.28 -3.17 1.90 5.12 -0.41 -5.00 116.66 114.62 2fhm n ARG 28 Ca -0.02 -2.24 -0.19 0.00 -1.93 0.00 0.00 57.85 53.47 2fhm n ARG 28 Cb 0.08 -1.38 -0.01 0.00 -1.16 0.00 0.00 32.46 29.99 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 -0.76 -2.83 -1.52 5.56 4.76 -0.07 -4.80 118.16 118.50 2fhm n LYS 29 Ca 0.12 0.37 -0.30 0.00 -2.87 0.00 0.00 58.31 55.62 2fhm n LYS 29 Cb 0.54 -5.00 0.08 0.00 -1.84 0.00 0.00 35.03 28.81 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fhm s LEU 30 N -6.13 2.71 -0.04 -0.35 1.43 -0.28 -4.97 118.68 111.04 2fhm s LEU 30 Ca 0.30 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.80 2fhm s LEU 30 Cb -0.16 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 42.02 2fhm s LEU 30 CO 0.37 -1.90 0.09 0.00 0.23 0.00 0.00 176.35 175.14 2fhm s ALA 31 N -3.10 -0.09 0.00 4.21 0.00 -1.12 -4.59 121.76 117.06 2fhm s ALA 31 Ca 0.60 0.49 0.00 0.00 0.00 0.00 0.00 51.96 53.05 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 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.58 2fhm n GLY 32 N 4.19 -0.56 3.19 0.00 0.00 -0.20 -0.81 105.19 111.00 2fhm n GLY 32 Ca -0.27 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.17 1.00 0.07 1.61 -2.14 0.12 -1.30 118.94 115.13 2fhm s TRP 33 Ca 0.00 -1.05 0.05 0.00 2.66 0.00 0.00 56.10 57.76 2fhm s TRP 33 Cb 0.00 -0.58 -0.03 0.00 -3.10 0.00 0.00 33.47 29.76 2fhm s TRP 33 CO 0.00 -0.29 -0.15 0.54 -2.66 0.00 0.00 176.95 174.40 2fhm s VAL 34 N -3.77 1.16 0.14 -0.66 0.11 -0.42 -1.54 120.40 115.43 2fhm s VAL 34 Ca 0.20 -1.29 -0.11 0.00 -2.93 0.00 0.00 61.98 57.85 2fhm s VAL 34 Cb 0.06 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2fhm s VAL 34 CO 0.00 -0.18 0.31 -0.75 -3.33 0.00 0.00 175.10 171.14 2fhm s LYS 35 N -1.68 1.10 -0.09 1.54 2.20 0.06 -0.81 119.74 122.04 2fhm s LYS 35 Ca -0.01 -1.02 0.04 0.00 -0.36 0.00 0.00 55.97 54.62 2fhm s LYS 35 Cb -0.10 0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2fhm s LYS 35 CO 0.02 -0.41 -0.23 1.21 -0.36 0.00 0.00 175.35 175.58 2fhm s ASN 36 N -2.91 3.15 0.12 1.43 3.84 -1.26 -0.95 114.94 118.36 2fhm s ASN 36 Ca 0.11 -0.53 0.10 0.00 0.21 0.00 0.00 52.86 52.76 2fhm s ASN 36 Cb 0.03 -1.30 -0.04 0.00 -0.55 0.00 0.00 41.25 39.39 2fhm s ASN 36 CO -0.05 0.18 -0.26 0.00 -2.79 0.00 0.00 177.10 174.18 2fhm s ARG 37 N 0.23 1.38 0.61 0.43 1.70 0.18 -4.96 118.95 118.52 2fhm s ARG 37 Ca -0.15 -1.31 0.41 0.00 -0.47 0.00 0.00 55.73 54.20 2fhm s ARG 37 Cb -0.17 -1.83 2.12 0.00 -0.57 0.00 0.00 34.95 34.50 2fhm s ARG 37 CO 0.08 0.43 2.23 0.22 -1.08 0.00 0.00 175.30 177.19 2fhm h ASP 38 N 3.96 0.00 0.06 -2.89 3.58 -2.01 -1.11 116.42 118.01 2fhm h ASP 38 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2fhm h ASP 38 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2fhm h ASP 38 CO 0.39 0.00 0.00 -0.78 -2.88 0.00 0.00 179.24 175.97 2fhm h ASP 39 N 0.00 0.00 -0.63 2.28 3.58 -2.04 -3.45 116.42 116.16 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 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2fhm h ASP 39 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2fhm n GLY 40 N -1.18 0.69 3.10 -0.78 0.00 -0.43 -5.11 105.19 101.48 2fhm n GLY 40 Ca -0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.41 0.54 0.12 1.61 3.00 -1.12 -4.81 118.95 116.88 2fhm s ARG 41 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 55.73 55.00 2fhm s ARG 41 Cb 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 34.95 35.11 2fhm s ARG 41 CO 0.00 -0.13 0.38 0.08 0.00 0.00 0.00 175.30 175.63 2fhm s VAL 42 N -2.23 5.15 0.01 3.52 1.01 -0.02 -0.64 120.40 127.19 2fhm s VAL 42 Ca -0.08 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2fhm s VAL 42 Cb -0.03 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2fhm s VAL 42 CO -0.03 0.12 -0.10 -0.70 0.00 0.00 0.00 175.10 174.40 2fhm s GLU 43 N -2.41 0.73 0.00 2.72 2.12 -0.12 -1.03 118.70 120.71 2fhm s GLU 43 Ca 0.38 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.26 2fhm s GLU 43 Cb -0.13 -0.69 -0.00 0.00 0.26 0.00 0.00 34.13 33.57 2fhm s GLU 43 CO 0.22 0.18 -0.02 0.42 -0.54 0.00 0.00 175.26 175.52 2fhm s ILE 44 N -0.49 0.16 -0.16 -3.70 1.01 -0.04 -0.77 121.20 117.21 2fhm s ILE 44 Ca 0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 2fhm s ILE 44 Cb -0.05 -0.16 0.06 0.00 0.01 0.00 0.00 42.46 42.32 2fhm s ILE 44 CO 0.00 -0.03 0.36 -0.22 0.00 0.00 0.00 174.94 175.04 2fhm s LEU 45 N -0.26 -0.14 0.08 2.97 0.20 -0.59 -0.96 118.68 119.98 2fhm s LEU 45 Ca -0.01 0.80 -0.19 0.00 0.69 0.00 0.00 54.13 55.41 2fhm s LEU 45 Cb -0.02 1.13 0.04 0.00 -0.43 0.00 0.00 46.19 46.91 2fhm s LEU 45 CO -0.00 -0.20 0.46 0.00 -0.29 0.00 0.00 176.35 176.32 2fhm s ALA 46 N 1.79 -1.15 0.19 5.97 0.00 -1.18 -0.70 121.76 126.67 2fhm s ALA 46 Ca -0.06 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.25 2fhm s ALA 46 Cb -0.10 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 2fhm s ALA 46 CO -0.11 -0.57 0.23 -1.83 0.00 0.00 0.00 175.76 173.48 2fhm s GLU 47 N -3.04 3.16 0.00 0.00 -1.05 0.01 -1.29 118.70 116.50 2fhm s GLU 47 Ca -0.02 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 2fhm s GLU 47 Cb 0.00 -2.77 0.00 0.00 -0.44 0.00 0.00 34.13 30.92 2fhm s GLU 47 CO -0.06 0.47 0.00 0.41 0.95 0.00 0.00 175.26 177.02 2fhm n GLY 48 N -0.77 -2.05 3.82 -3.83 0.00 -0.45 -2.79 105.19 99.12 2fhm n GLY 48 Ca -0.08 -1.17 -0.31 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 -1.95 2.68 0.17 1.61 0.04 -1.26 -1.53 135.00 134.76 2fhm s PRO 49 Ca 0.00 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 2fhm s PRO 49 Cb 0.00 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2fhm s PRO 49 CO 0.00 -1.24 1.75 1.49 0.04 0.00 0.00 177.00 179.04 2fhm h GLU 50 N -0.82 0.30 -0.67 4.56 4.81 -1.98 -1.38 114.58 119.40 2fhm h GLU 50 Ca -0.45 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2fhm h GLU 50 Cb 1.23 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2fhm h GLU 50 CO 0.58 0.20 0.41 -0.97 -0.73 0.00 0.00 179.01 178.50 2fhm h ASN 51 N 0.31 0.80 -0.16 1.04 -0.73 -1.98 -0.11 115.58 114.74 2fhm h ASN 51 Ca 0.19 -0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 2fhm h ASN 51 Cb 0.17 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2fhm h ASN 51 CO -0.19 0.62 0.06 0.00 -0.37 0.00 0.00 177.43 177.54 2fhm h ALA 52 N 1.21 0.21 -0.24 1.57 0.00 -1.70 -0.06 119.26 120.26 2fhm h ALA 52 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2fhm h ALA 52 Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2fhm h ALA 52 CO -0.05 -0.19 0.09 -0.07 0.00 0.00 0.00 179.25 179.04 2fhm h LEU 53 N 0.09 0.32 -0.30 0.00 3.38 -1.02 -1.04 115.31 116.74 2fhm h LEU 53 Ca 0.05 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2fhm h LEU 53 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2fhm h LEU 53 CO -0.00 0.40 -0.16 1.56 0.09 0.00 0.00 178.44 180.33 2fhm h GLN 54 N 0.23 0.65 -0.75 1.13 1.08 -0.98 -0.86 115.11 115.60 2fhm h GLN 54 Ca 0.08 -0.29 -0.04 0.00 -1.45 0.00 0.00 58.65 56.95 2fhm h GLN 54 Cb 0.18 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2fhm h GLN 54 CO -0.01 0.88 0.31 0.77 -0.95 0.00 0.00 178.83 179.83 2fhm h SER 55 N 0.40 1.02 -0.08 1.46 0.02 -0.95 -1.17 113.55 114.25 2fhm h SER 55 Ca 0.07 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2fhm h SER 55 Cb 0.69 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 2fhm h SER 55 CO 0.05 0.89 0.05 0.15 -1.14 0.00 0.00 176.83 176.83 2fhm h PHE 56 N 1.09 0.10 -0.56 3.45 3.04 -1.04 -0.67 116.94 122.33 2fhm h PHE 56 Ca 0.25 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.27 2fhm h PHE 56 Cb 0.19 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.60 2fhm h PHE 56 CO 0.02 0.08 0.25 0.28 -2.02 0.00 0.00 178.31 176.91 2fhm h VAL 57 N 0.09 0.87 -0.67 1.41 2.07 -0.55 0.03 116.25 119.49 2fhm h VAL 57 Ca 0.03 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2fhm h VAL 57 Cb 0.00 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2fhm h VAL 57 CO -0.01 0.08 0.29 -0.33 0.02 0.00 0.00 177.57 177.63 2fhm h GLU 58 N 0.46 0.96 -0.35 1.57 4.39 -1.04 -0.37 114.58 120.20 2fhm h GLU 58 Ca 0.27 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 2fhm h GLU 58 Cb 0.25 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2fhm h GLU 58 CO -0.23 0.77 0.05 0.00 -1.16 0.00 0.00 179.01 178.44 2fhm h ALA 59 N 1.37 0.46 0.10 3.43 0.00 0.36 0.95 119.26 125.93 2fhm h ALA 59 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2fhm h ALA 59 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2fhm h ALA 59 CO -0.03 0.17 -0.05 0.28 0.00 0.00 0.00 179.25 179.63 2fhm h VAL 60 N 0.41 0.94 -0.85 0.00 2.07 -0.81 -2.49 116.25 115.52 2fhm h VAL 60 Ca 0.11 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.57 2fhm h VAL 60 Cb 0.36 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 2fhm h VAL 60 CO 0.01 0.03 0.51 0.50 0.02 0.00 0.00 177.57 178.64 2fhm h LYS 61 N -0.19 0.87 0.00 1.57 3.64 -0.90 -0.28 116.57 121.27 2fhm h LYS 61 Ca -0.01 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2fhm h LYS 61 Cb 0.16 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2fhm h LYS 61 CO 0.02 0.58 -0.23 -0.97 -2.27 0.00 0.00 179.45 176.58 2fhm h ASN 62 N 0.90 0.00 -5.82 4.20 -1.24 -0.72 -3.43 115.58 109.47 2fhm h ASN 62 Ca 0.39 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 57.03 2fhm h ASN 62 Cb 0.25 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.43 2fhm h ASN 62 CO -0.20 0.23 -0.78 0.61 -1.29 0.00 0.00 177.43 176.00 2fhm n GLY 63 N -0.28 -0.36 0.19 1.57 0.00 -0.12 -4.92 105.19 101.27 2fhm n GLY 63 Ca -0.01 0.13 -0.03 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 -1.98 0.07 -1.30 1.61 0.02 -1.76 -3.44 113.55 106.78 2fhm h SER 64 Ca -0.59 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2fhm h SER 64 Cb 1.35 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2fhm h SER 64 CO 0.53 0.07 0.00 -0.81 -1.14 0.00 0.00 176.83 175.48 2fhm n PRO 65 N -5.07 0.34 -0.34 3.45 -0.04 -1.26 -4.96 135.00 127.12 2fhm n PRO 65 Ca 0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2fhm n PRO 65 Cb 0.21 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.66 1.04 -3.87 0.54 -5.15 -1.98 -3.42 116.94 103.45 2fhm h PHE 66 Ca 0.00 0.03 -0.47 0.00 -0.20 0.00 0.00 57.97 57.33 2fhm h PHE 66 Cb 0.00 -0.32 -0.02 0.00 0.22 0.00 0.00 35.95 35.83 2fhm h PHE 66 CO 0.00 0.38 0.35 -1.12 -2.00 0.00 0.00 178.31 175.92 2fhm s SER 67 N -5.62 7.35 0.17 -0.68 0.01 -1.26 -5.00 113.70 108.67 2fhm s SER 67 Ca -0.12 1.87 -0.18 0.00 1.31 0.00 0.00 55.95 58.84 2fhm s SER 67 Cb 0.22 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.90 2fhm s SER 67 CO 0.80 -0.06 0.50 -1.59 0.41 0.00 0.00 173.24 173.30 2fhm s LYS 68 N -1.94 1.27 0.23 12.44 0.00 -0.34 -4.38 119.74 127.01 2fhm s LYS 68 Ca 0.49 -0.75 0.07 0.00 0.00 0.00 0.00 55.97 55.78 2fhm s LYS 68 Cb -0.20 0.52 -0.04 0.00 0.00 0.00 0.00 37.83 38.11 2fhm s LYS 68 CO 0.26 -0.53 0.12 0.14 0.00 0.00 0.00 175.35 175.33 2fhm s VAL 69 N -3.83 4.16 0.00 1.79 -7.23 -1.26 -0.67 120.40 113.36 2fhm s VAL 69 Ca 0.06 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2fhm s VAL 69 Cb -0.00 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.74 2fhm s VAL 69 CO -0.07 -0.28 0.18 0.35 -0.31 0.00 0.00 175.10 174.97 2fhm n THR 70 N -0.82 0.00 -3.74 5.32 -2.24 0.23 -4.86 114.28 108.17 2fhm n THR 70 Ca -0.08 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 2fhm n THR 70 Cb 0.57 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.34 -0.41 -0.16 3.42 2.15 -0.66 -4.98 116.67 115.70 2fhm s ASP 71 Ca 0.00 0.78 -0.16 0.00 0.43 0.00 0.00 52.55 53.60 2fhm s ASP 71 Cb 0.00 0.77 0.04 0.00 -0.30 0.00 0.00 42.92 43.44 2fhm s ASP 71 CO 0.00 -0.14 0.45 -0.51 -0.17 0.00 0.00 175.17 174.80 2fhm s ILE 72 N 0.35 0.00 -0.00 4.11 2.07 -1.26 -1.66 121.20 124.81 2fhm s ILE 72 Ca -0.01 -0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.18 2fhm s ILE 72 Cb -0.03 -0.64 -0.00 0.00 0.13 0.00 0.00 42.46 41.91 2fhm s ILE 72 CO -0.01 -0.02 0.02 -0.44 -1.91 0.00 0.00 174.94 172.58 2fhm s SER 73 N 0.09 0.04 0.01 4.50 0.01 -0.13 -5.00 113.70 113.21 2fhm s SER 73 Ca -0.01 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.17 2fhm s SER 73 Cb -0.03 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 2fhm s SER 73 CO 0.01 -0.10 -0.03 -0.69 0.41 0.00 0.00 173.24 172.84 2fhm s VAL 74 N -0.41 0.23 0.08 3.43 1.01 -1.26 -1.46 120.40 122.02 2fhm s VAL 74 Ca -0.05 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.57 2fhm s VAL 74 Cb -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2fhm s VAL 74 CO -0.00 -0.13 -0.15 -0.89 0.00 0.00 0.00 175.10 173.94 2fhm s THR 75 N -0.55 1.20 0.02 3.92 2.01 0.22 -5.01 115.64 117.45 2fhm s THR 75 Ca -0.04 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 60.55 2fhm s THR 75 Cb -0.04 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 2fhm s THR 75 CO -0.00 -0.26 -0.05 -0.70 -0.69 0.00 0.00 174.62 172.92 2fhm s GLU 76 N -1.97 0.40 0.28 4.92 2.12 -1.26 -0.99 118.70 122.20 2fhm s GLU 76 Ca 0.01 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.89 2fhm s GLU 76 Cb -0.09 -0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.04 2fhm s GLU 76 CO 0.03 0.05 0.30 -1.12 -0.54 0.00 0.00 175.26 173.97 2fhm s SER 77 N -0.87 0.80 -0.18 -1.70 0.01 0.06 -4.99 113.70 106.84 2fhm s SER 77 Ca -0.06 -1.48 0.16 0.00 1.31 0.00 0.00 55.95 55.88 2fhm s SER 77 Cb -0.06 0.53 0.44 0.00 0.21 0.00 0.00 66.02 67.14 2fhm s SER 77 CO -0.00 -1.05 1.18 0.54 0.41 0.00 0.00 173.24 174.32 2fhm n ARG 78 N -0.47 1.60 -3.71 12.44 5.12 -1.26 -1.82 116.66 128.56 2fhm n ARG 78 Ca 0.03 -3.16 -0.29 0.00 -1.93 0.00 0.00 57.85 52.50 2fhm n ARG 78 Cb 0.63 -1.32 -0.16 0.00 -1.16 0.00 0.00 32.46 30.46 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 -3.06 3.41 1.05 0.55 0.01 -1.26 -4.81 113.70 109.59 2fhm s SER 79 Ca 0.38 -1.18 -0.12 0.00 1.31 0.00 0.00 55.95 56.33 2fhm s SER 79 Cb 0.38 -0.67 0.22 0.00 0.21 0.00 0.00 66.02 66.16 2fhm s SER 79 CO -0.07 -0.36 1.07 -0.76 0.41 0.00 0.00 173.24 173.53 2fhm s LEU 80 N 1.80 1.40 -0.02 2.44 1.43 -1.26 -4.55 118.68 119.91 2fhm s LEU 80 Ca 0.04 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 54.58 2fhm s LEU 80 Cb -0.17 -3.49 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 2fhm s LEU 80 CO -0.18 -3.52 0.09 -0.62 0.23 0.00 0.00 176.35 172.35 2fhm n GLU 81 N -4.45 1.20 -1.06 1.70 1.02 -1.26 -5.00 120.64 112.79 2fhm n GLU 81 Ca 0.05 -0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 2fhm n GLU 81 Cb 0.56 -1.14 -0.01 0.00 -0.02 0.00 0.00 31.44 30.83 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fhm n GLY 82 N 2.35 0.56 3.77 0.62 0.00 -1.26 -5.05 105.19 106.18 2fhm n GLY 82 Ca -0.04 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 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 3.92 -0.04 1.61 5.04 -1.26 -4.96 115.29 117.52 2fhm s HIS 83 Ca 0.00 1.69 0.14 0.00 -1.54 0.00 0.00 55.06 55.34 2fhm s HIS 83 Cb 0.00 -2.81 0.25 0.00 0.04 0.00 0.00 32.58 30.06 2fhm s HIS 83 CO 0.00 0.50 1.11 0.72 -2.34 0.00 0.00 174.74 174.73 2fhm n HIS 84 N 1.62 0.00 -4.00 3.88 8.25 -1.26 -4.81 115.22 118.90 2fhm n HIS 84 Ca -0.05 -0.51 -0.10 0.00 -0.26 0.00 0.00 57.72 56.80 2fhm n HIS 84 Cb 0.48 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.40 2fhm n HIS 84 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2fhm s ARG 85 N -0.79 1.30 -0.07 -0.41 1.81 -1.26 -5.05 118.95 114.47 2fhm s ARG 85 Ca 0.22 -1.25 0.05 0.00 -1.72 0.00 0.00 55.73 53.03 2fhm s ARG 85 Cb 0.23 0.40 -0.00 0.00 -0.45 0.00 0.00 34.95 35.13 2fhm s ARG 85 CO -0.07 -0.50 -0.23 -0.59 -0.68 0.00 0.00 175.30 173.23 2fhm s PHE 86 N -4.01 2.39 0.12 -0.53 -0.12 -1.26 -1.03 117.98 113.54 2fhm s PHE 86 Ca 0.22 -0.83 0.02 0.00 -0.05 0.00 0.00 56.93 56.29 2fhm s PHE 86 Cb 0.02 -1.59 -0.04 0.00 -0.63 0.00 0.00 43.02 40.78 2fhm s PHE 86 CO 0.04 -0.30 -0.06 -1.12 -0.05 0.00 0.00 175.22 173.74 2fhm s SER 87 N 0.09 1.30 -0.15 1.98 0.01 -0.42 -4.96 113.70 111.55 2fhm s SER 87 Ca -0.10 -1.04 -0.01 0.00 1.31 0.00 0.00 55.95 56.10 2fhm s SER 87 Cb -0.15 0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.20 2fhm s SER 87 CO 0.06 -0.46 -0.01 -0.63 0.41 0.00 0.00 173.24 172.61 2fhm s ILE 88 N -3.57 0.76 0.36 1.44 1.01 -1.26 -1.31 121.20 118.63 2fhm s ILE 88 Ca 0.15 -0.43 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 2fhm s ILE 88 Cb 0.05 -1.03 -0.09 0.00 0.01 0.00 0.00 42.46 41.40 2fhm s ILE 88 CO -0.02 0.06 1.18 -0.69 0.00 0.00 0.00 174.94 175.47 2fhm s VAL 89 N 1.78 3.14 0.00 2.92 1.01 0.00 -4.94 120.40 124.31 2fhm s VAL 89 Ca 0.01 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2fhm s VAL 89 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2fhm s VAL 89 CO -0.07 0.17 0.26 0.00 0.00 0.00 0.00 175.10 175.46 2fhm n TYR 90 N 0.48 0.00 0.00 5.22 4.11 -1.26 -4.74 117.16 120.97 2fhm n TYR 90 Ca 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 2fhm n TYR 90 Cb 0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.79 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29