#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fhm s LEU 2 N 0.00 0.26 0.04 4.03 2.96 -0.32 -4.68 118.68 120.96 2fhm s LEU 2 Ca 0.00 -1.16 -0.12 0.00 -0.22 0.00 0.00 54.13 52.64 2fhm s LEU 2 Cb 0.00 2.40 0.01 0.00 0.50 0.00 0.00 46.19 49.10 2fhm s LEU 2 CO 0.00 -1.51 0.26 -1.58 -1.32 0.00 0.00 176.35 172.20 2fhm s GLN 3 N -2.82 0.74 0.30 1.98 0.74 0.20 -1.50 119.66 119.31 2fhm s GLN 3 Ca 0.19 -0.53 0.07 0.00 0.05 0.00 0.00 55.36 55.14 2fhm s GLN 3 Cb -0.04 0.32 -0.06 0.00 1.10 0.00 0.00 33.01 34.33 2fhm s GLN 3 CO 0.13 -0.23 -0.04 1.52 -0.55 0.00 0.00 175.29 176.12 2fhm s TYR 4 N -2.44 2.04 0.00 1.67 -0.85 -0.41 -1.69 117.35 115.68 2fhm s TYR 4 Ca -0.06 -0.71 0.03 0.00 -0.52 0.00 0.00 57.07 55.81 2fhm s TYR 4 Cb -0.01 -1.21 -0.01 0.00 0.38 0.00 0.00 41.96 41.11 2fhm s TYR 4 CO -0.03 0.28 -0.09 0.50 -1.52 0.00 0.00 175.55 174.70 2fhm s ARG 5 N -3.74 0.67 0.01 -3.49 3.52 -0.27 -2.56 118.95 113.09 2fhm s ARG 5 Ca 0.31 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.54 2fhm s ARG 5 Cb 0.05 -0.63 -0.01 0.00 -1.56 0.00 0.00 34.95 32.80 2fhm s ARG 5 CO 0.13 0.17 -0.04 0.42 -0.81 0.00 0.00 175.30 175.17 2fhm s ILE 6 N -0.38 0.30 -0.01 4.11 1.01 0.47 -0.71 121.20 125.99 2fhm s ILE 6 Ca 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.32 2fhm s ILE 6 Cb -0.04 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 2fhm s ILE 6 CO -0.00 -0.08 -0.19 -0.63 0.00 0.00 0.00 174.94 174.04 2fhm s ILE 7 N -0.48 1.50 -0.04 2.92 -1.09 0.00 -0.84 121.20 123.16 2fhm s ILE 7 Ca -0.03 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.49 2fhm s ILE 7 Cb -0.04 -1.25 0.01 0.00 -1.58 0.00 0.00 42.46 39.60 2fhm s ILE 7 CO -0.00 0.41 0.18 0.68 -1.23 0.00 0.00 174.94 174.98 2fhm s VAL 8 N -0.46 0.03 0.03 2.92 -7.23 -0.27 -1.17 120.40 114.25 2fhm s VAL 8 Ca 0.07 -0.24 -0.06 0.00 -1.81 0.00 0.00 61.98 59.94 2fhm s VAL 8 Cb -0.07 -0.34 -0.01 0.00 0.56 0.00 0.00 36.38 36.52 2fhm s VAL 8 CO -0.01 -0.13 0.11 -0.62 -0.31 0.00 0.00 175.10 174.14 2fhm s ASP 9 N -0.44 0.13 0.00 4.85 2.15 -0.47 -0.79 116.67 122.10 2fhm s ASP 9 Ca -0.05 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 52.49 2fhm s ASP 9 Cb -0.04 0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.81 2fhm s ASP 9 CO 0.01 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 2fhm n GLY 10 N 0.96 0.37 3.26 2.66 0.00 -1.26 -0.42 105.19 110.76 2fhm n GLY 10 Ca -0.20 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 2.79 -1.04 1.61 3.00 -0.26 -4.73 116.66 118.02 2fhm n ARG 11 Ca 0.00 -2.86 -0.08 0.00 -0.00 0.00 0.00 57.85 54.91 2fhm n ARG 11 Cb 0.00 -3.41 0.28 0.00 0.00 0.00 0.00 32.46 29.34 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 6.07 2.96 0.00 5.15 0.24 -1.25 -1.01 118.33 130.49 2fhm n VAL 12 Ca 0.50 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.06 2fhm n VAL 12 Cb 0.43 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 2fhm n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2fhm n GLN 13 N -0.36 0.00 0.00 7.34 1.13 -1.26 -4.59 117.38 119.64 2fhm n GLN 13 Ca 0.43 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 2fhm n GLN 13 Cb 1.42 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.77 2fhm n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fhm n GLY 14 N 2.36 3.05 0.21 1.08 0.00 -1.26 -0.67 105.19 109.96 2fhm n GLY 14 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 2fhm n GLY 14 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2fhm h VAL 15 N 0.00 1.30 0.00 1.61 2.07 -1.95 -3.44 116.25 115.84 2fhm h VAL 15 Ca 0.00 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2fhm h VAL 15 Cb 0.00 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2fhm h VAL 15 CO 0.00 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.65 2fhm n GLY 16 N -0.20 0.00 0.35 2.17 0.00 -0.88 -5.04 105.19 101.58 2fhm n GLY 16 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 1.05 -0.39 1.61 3.57 -1.16 0.14 116.94 121.76 2fhm h PHE 17 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2fhm h PHE 17 Cb 0.00 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 2fhm h PHE 17 CO 0.00 0.37 0.20 0.00 -2.23 0.00 0.00 178.31 176.65 2fhm h ARG 18 N 0.88 0.40 -0.34 1.11 3.08 -1.82 -0.73 114.38 116.97 2fhm h ARG 18 Ca 0.50 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.49 2fhm h ARG 18 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2fhm h ARG 18 CO -0.30 0.27 0.09 -0.92 -1.07 0.00 0.00 179.97 178.04 2fhm h TYR 19 N 0.41 0.57 -0.21 3.04 3.20 -1.69 -2.93 116.97 119.36 2fhm h TYR 19 Ca 0.16 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.01 2fhm h TYR 19 Cb 0.06 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 2fhm h TYR 19 CO -0.09 0.57 -0.06 0.35 -1.64 0.00 0.00 178.16 177.30 2fhm h PHE 20 N 0.40 -0.12 -0.49 -3.82 3.57 -0.53 0.60 116.94 116.54 2fhm h PHE 20 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2fhm h PHE 20 Cb 0.29 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2fhm h PHE 20 CO 0.01 -0.09 0.13 -0.39 -2.23 0.00 0.00 178.31 175.74 2fhm h VAL 21 N -0.00 1.21 0.00 1.41 -1.51 -1.14 -1.08 116.25 115.14 2fhm h VAL 21 Ca 0.10 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2fhm h VAL 21 Cb 0.16 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 2fhm h VAL 21 CO -0.22 0.27 0.00 1.56 -1.23 0.00 0.00 177.57 177.95 2fhm h GLN 22 N 0.72 0.00 -0.07 5.19 1.08 -1.14 0.10 115.11 120.99 2fhm h GLN 22 Ca 0.16 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 2fhm h GLN 22 Cb 0.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2fhm h GLN 22 CO -0.01 0.00 0.01 0.52 -0.95 0.00 0.00 178.83 178.41 2fhm h MET 23 N 0.00 0.12 0.00 1.46 2.86 0.27 -1.16 114.93 118.48 2fhm h MET 23 Ca 0.00 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2fhm h MET 23 Cb 0.73 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 2fhm h MET 23 CO 0.00 0.34 -0.08 0.93 1.06 0.00 0.00 176.91 179.16 2fhm h GLU 24 N -0.12 0.00 0.25 1.72 4.39 -0.48 0.33 114.58 120.67 2fhm h GLU 24 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2fhm h GLU 24 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2fhm h GLU 24 CO 0.00 0.08 -0.12 0.00 -1.16 0.00 0.00 179.01 177.81 2fhm h ALA 25 N 1.92 -0.34 -0.86 3.43 0.00 -0.72 -3.34 119.26 119.35 2fhm h ALA 25 Ca -0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2fhm h ALA 25 Cb 0.35 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2fhm h ALA 25 CO 0.01 -0.39 0.56 0.22 0.00 0.00 0.00 179.25 179.65 2fhm h ASP 26 N -0.94 0.79 -1.01 0.00 3.58 -0.67 0.01 116.42 118.18 2fhm h ASP 26 Ca -0.03 0.01 0.24 0.00 0.42 0.00 0.00 57.03 57.67 2fhm h ASP 26 Cb 0.49 -0.15 -0.11 0.00 1.72 0.00 0.00 39.33 41.28 2fhm h ASP 26 CO 0.06 0.48 0.63 0.50 -2.88 0.00 0.00 179.24 178.03 2fhm h LYS 27 N 0.88 0.53 -0.23 0.28 3.64 -1.07 -0.73 116.57 119.88 2fhm h LYS 27 Ca 0.39 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2fhm h LYS 27 Cb 0.33 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2fhm h LYS 27 CO -0.15 0.35 0.00 0.54 -2.27 0.00 0.00 179.45 177.92 2fhm n ARG 28 N -4.74 2.71 -2.74 1.90 1.74 -0.52 -4.97 116.66 110.04 2fhm n ARG 28 Ca 0.25 -2.52 -0.15 0.00 -0.77 0.00 0.00 57.85 54.66 2fhm n ARG 28 Cb 0.75 -1.60 -0.00 0.00 -1.02 0.00 0.00 32.46 30.58 2fhm n ARG 28 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2fhm n LYS 29 N -0.37 -2.70 -1.73 5.56 4.76 -0.28 -4.97 118.16 118.44 2fhm n LYS 29 Ca 0.17 0.50 -0.33 0.00 -2.87 0.00 0.00 58.31 55.78 2fhm n LYS 29 Cb 0.70 -5.13 0.05 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 -5.83 3.35 -0.02 -0.35 1.43 -0.13 -4.96 118.68 112.17 2fhm s LEU 30 Ca 0.13 1.94 -0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2fhm s LEU 30 Cb -0.07 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.63 2fhm s LEU 30 CO 0.16 -1.61 0.03 0.00 0.23 0.00 0.00 176.35 175.16 2fhm s ALA 31 N -2.44 0.01 0.00 4.21 0.00 -1.15 -4.39 121.76 117.99 2fhm s ALA 31 Ca 0.66 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2fhm s ALA 31 Cb -0.19 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2fhm s ALA 31 CO 0.43 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.53 2fhm n GLY 32 N 3.75 -1.43 3.56 0.00 0.00 -0.52 -0.98 105.19 109.57 2fhm n GLY 32 Ca -0.22 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 2fhm n GLY 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2fhm s TRP 33 N -2.87 2.48 0.01 1.61 -2.14 0.54 -0.70 118.94 117.88 2fhm s TRP 33 Ca 0.00 -0.33 0.05 0.00 2.66 0.00 0.00 56.10 58.48 2fhm s TRP 33 Cb 0.00 -1.19 -0.02 0.00 -3.10 0.00 0.00 33.47 29.16 2fhm s TRP 33 CO 0.00 0.63 -0.16 0.54 -2.66 0.00 0.00 176.95 175.29 2fhm s VAL 34 N -2.46 1.31 0.06 -0.66 0.11 -0.22 -1.56 120.40 116.98 2fhm s VAL 34 Ca 0.32 -0.89 -0.06 0.00 -2.93 0.00 0.00 61.98 58.42 2fhm s VAL 34 Cb -0.04 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 2fhm s VAL 34 CO 0.18 0.22 0.11 -0.75 -3.33 0.00 0.00 175.10 171.53 2fhm s LYS 35 N -0.77 0.69 -0.18 1.54 2.20 0.10 -1.23 119.74 122.10 2fhm s LYS 35 Ca 0.05 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 2fhm s LYS 35 Cb -0.07 0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.53 2fhm s LYS 35 CO 0.00 -0.19 -0.17 1.21 -0.36 0.00 0.00 175.35 175.85 2fhm s ASN 36 N -2.54 3.41 0.57 1.43 3.84 -1.21 -0.83 114.94 119.60 2fhm s ASN 36 Ca 0.01 -0.58 -0.16 0.00 0.21 0.00 0.00 52.86 52.34 2fhm s ASN 36 Cb 0.03 -1.53 -0.05 0.00 -0.55 0.00 0.00 41.25 39.14 2fhm s ASN 36 CO -0.08 0.02 1.04 -0.13 -2.79 0.00 0.00 177.10 175.16 2fhm s ARG 37 N 1.21 3.50 0.55 0.43 0.52 0.03 -4.86 118.95 120.32 2fhm s ARG 37 Ca 0.03 1.16 0.21 0.00 -0.52 0.00 0.00 55.73 56.61 2fhm s ARG 37 Cb -0.14 -2.06 1.48 0.00 0.52 0.00 0.00 34.95 34.75 2fhm s ARG 37 CO -0.08 -0.66 2.19 0.22 0.02 0.00 0.00 175.30 176.98 2fhm h ASP 38 N 0.63 0.00 0.06 0.23 3.58 -1.95 -0.49 116.42 118.49 2fhm h ASP 38 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2fhm h ASP 38 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2fhm h ASP 38 CO 0.58 0.01 0.00 -0.78 -2.88 0.00 0.00 179.24 176.17 2fhm h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.04 -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 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2fhm n GLY 40 N -1.14 2.89 3.62 -0.78 0.00 -0.19 -5.05 105.19 104.53 2fhm n GLY 40 Ca -0.02 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 2fhm n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fhm n ARG 41 N 0.00 0.77 -2.30 1.61 3.00 -1.26 -4.64 116.66 113.84 2fhm n ARG 41 Ca 0.00 0.31 -0.30 0.00 -0.01 0.00 0.00 57.85 57.85 2fhm n ARG 41 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 32.46 30.26 2fhm n ARG 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2fhm s VAL 42 N -1.60 4.72 0.01 1.55 1.01 0.03 -0.79 120.40 125.33 2fhm s VAL 42 Ca 0.76 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2fhm s VAL 42 Cb -0.39 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2fhm s VAL 42 CO 0.47 -0.88 -0.02 -0.70 0.00 0.00 0.00 175.10 173.97 2fhm s GLU 43 N -4.62 0.23 -0.00 2.72 2.12 -0.01 -1.11 118.70 118.03 2fhm s GLU 43 Ca 0.54 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.42 2fhm s GLU 43 Cb -0.10 0.08 -0.00 0.00 0.26 0.00 0.00 34.13 34.37 2fhm s GLU 43 CO 0.43 -0.04 -0.02 0.42 -0.54 0.00 0.00 175.26 175.51 2fhm s ILE 44 N -1.09 0.16 -0.17 -3.70 1.01 -0.02 -0.72 121.20 116.67 2fhm s ILE 44 Ca -0.12 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 2fhm s ILE 44 Cb -0.07 -0.15 0.07 0.00 0.01 0.00 0.00 42.46 42.32 2fhm s ILE 44 CO -0.01 0.05 0.37 -0.22 0.00 0.00 0.00 174.94 175.13 2fhm s LEU 45 N -0.02 -0.30 0.13 2.97 0.20 -0.60 -0.39 118.68 120.67 2fhm s LEU 45 Ca 0.00 0.83 -0.11 0.00 0.69 0.00 0.00 54.13 55.55 2fhm s LEU 45 Cb -0.01 1.15 0.00 0.00 -0.43 0.00 0.00 46.19 46.90 2fhm s LEU 45 CO -0.00 -0.22 0.28 0.00 -0.29 0.00 0.00 176.35 176.12 2fhm s ALA 46 N 2.07 -0.30 0.22 5.97 0.00 -1.06 -0.34 121.76 128.32 2fhm s ALA 46 Ca -0.04 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.42 2fhm s ALA 46 Cb -0.11 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2fhm s ALA 46 CO -0.11 -0.60 -0.09 -1.83 0.00 0.00 0.00 175.76 173.13 2fhm s GLU 47 N -3.89 2.06 0.00 0.00 -1.05 -0.15 -1.28 118.70 114.38 2fhm s GLU 47 Ca 0.09 -1.39 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 2fhm s GLU 47 Cb 0.03 -2.10 0.00 0.00 -0.44 0.00 0.00 34.13 31.63 2fhm s GLU 47 CO -0.07 0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.95 2fhm n GLY 48 N -0.33 -2.10 3.79 -3.83 0.00 -0.56 -2.96 105.19 99.21 2fhm n GLY 48 Ca -0.09 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.83 3.48 0.14 1.61 0.04 -1.26 -1.18 135.00 135.99 2fhm s PRO 49 Ca 0.00 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 2fhm s PRO 49 Cb 0.00 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2fhm s PRO 49 CO 0.00 -0.70 1.74 1.49 0.04 0.00 0.00 177.00 179.57 2fhm h GLU 50 N 1.02 0.17 -0.70 4.56 4.81 -1.92 -1.20 114.58 121.32 2fhm h GLU 50 Ca -0.49 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.67 2fhm h GLU 50 Cb 1.23 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2fhm h GLU 50 CO 0.58 0.11 0.17 -0.97 -0.73 0.00 0.00 179.01 178.17 2fhm h ASN 51 N 0.17 1.06 -0.11 1.04 -1.24 -1.99 -0.58 115.58 113.93 2fhm h ASN 51 Ca 0.11 -0.23 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 2fhm h ASN 51 Cb 0.10 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.86 2fhm h ASN 51 CO -0.13 1.01 0.03 0.00 -1.29 0.00 0.00 177.43 177.05 2fhm h ALA 52 N 1.08 0.14 -0.56 1.57 0.00 -1.85 -0.90 119.26 118.74 2fhm h ALA 52 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2fhm h ALA 52 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2fhm h ALA 52 CO 0.00 -0.24 0.30 -0.07 0.00 0.00 0.00 179.25 179.24 2fhm h LEU 53 N -0.01 0.71 -0.75 0.00 3.38 -1.04 -1.18 115.31 116.41 2fhm h LEU 53 Ca 0.03 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2fhm h LEU 53 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2fhm h LEU 53 CO -0.00 0.61 -0.36 1.56 0.09 0.00 0.00 178.44 180.34 2fhm h GLN 54 N 0.75 0.54 -0.73 1.13 4.20 -1.03 -0.62 115.11 119.35 2fhm h GLN 54 Ca 0.20 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2fhm h GLN 54 Cb 0.06 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2fhm h GLN 54 CO -0.03 0.82 0.32 0.77 -0.67 0.00 0.00 178.83 180.04 2fhm h SER 55 N 0.45 0.99 -0.35 1.46 0.02 -0.84 -1.17 113.55 114.11 2fhm h SER 55 Ca 0.05 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2fhm h SER 55 Cb 0.83 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2fhm h SER 55 CO 0.07 0.87 0.19 0.15 -1.14 0.00 0.00 176.83 176.97 2fhm h PHE 56 N 1.04 0.36 -0.84 3.45 3.04 -0.86 -1.19 116.94 121.94 2fhm h PHE 56 Ca 0.25 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.27 2fhm h PHE 56 Cb 0.17 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.51 2fhm h PHE 56 CO 0.01 0.21 0.52 0.28 -2.02 0.00 0.00 178.31 177.31 2fhm h VAL 57 N 0.40 1.05 -0.76 1.41 2.07 -0.47 -0.48 116.25 119.46 2fhm h VAL 57 Ca 0.14 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2fhm h VAL 57 Cb 0.03 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 2fhm h VAL 57 CO -0.08 0.17 0.36 -0.33 0.02 0.00 0.00 177.57 177.72 2fhm h GLU 58 N 0.96 1.09 -0.98 1.57 5.08 -0.88 0.48 114.58 121.89 2fhm h GLU 58 Ca 0.36 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2fhm h GLU 58 Cb 0.15 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2fhm h GLU 58 CO -0.17 0.85 0.64 0.00 -1.00 0.00 0.00 179.01 179.34 2fhm h ALA 59 N 1.18 1.25 0.18 3.43 0.00 0.06 0.33 119.26 125.70 2fhm h ALA 59 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2fhm h ALA 59 Cb 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2fhm h ALA 59 CO -0.03 0.65 -0.09 0.28 0.00 0.00 0.00 179.25 180.06 2fhm h VAL 60 N 1.34 0.92 -0.83 0.00 2.07 -0.80 -3.31 116.25 115.64 2fhm h VAL 60 Ca 0.36 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 67.05 2fhm h VAL 60 Cb -0.14 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2fhm h VAL 60 CO -0.08 0.19 0.55 0.50 0.02 0.00 0.00 177.57 178.75 2fhm h LYS 61 N -0.70 0.98 0.00 1.57 3.64 -0.63 -0.99 116.57 120.45 2fhm h LYS 61 Ca -0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2fhm h LYS 61 Cb 0.49 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2fhm h LYS 61 CO 0.04 0.65 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.81 2fhm h ASN 62 N 1.01 0.00 -5.46 4.20 -1.24 -1.04 -3.46 115.58 109.58 2fhm h ASN 62 Ca 0.33 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 56.98 2fhm h ASN 62 Cb 0.06 0.00 0.13 0.00 0.73 0.00 0.00 38.32 39.24 2fhm h ASN 62 CO -0.10 0.09 -0.63 0.61 -1.29 0.00 0.00 177.43 176.11 2fhm n GLY 63 N -0.74 -0.43 0.26 1.57 0.00 -0.38 -4.94 105.19 100.53 2fhm n GLY 63 Ca -0.02 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.49 0.30 -1.76 1.61 0.02 -1.80 -3.44 113.55 105.98 2fhm h SER 64 Ca -0.53 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2fhm h SER 64 Cb 1.34 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2fhm h SER 64 CO 0.51 0.14 0.00 -0.81 -1.14 0.00 0.00 176.83 175.54 2fhm n PRO 65 N -4.97 1.23 0.00 3.45 -0.04 -1.26 -4.92 135.00 128.49 2fhm n PRO 65 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2fhm n PRO 65 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 2fhm n PRO 65 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2fhm n PHE 66 N -0.70 0.00 -3.92 0.54 1.16 -1.26 -4.63 117.46 108.65 2fhm n PHE 66 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.48 2fhm n PHE 66 Cb 0.00 -0.07 -0.11 0.00 -1.61 0.00 0.00 39.48 37.69 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 -2.04 0.11 0.04 5.98 0.01 -1.26 -4.53 113.70 112.01 2fhm s SER 67 Ca 0.00 -0.29 -0.17 0.00 1.31 0.00 0.00 55.95 56.80 2fhm s SER 67 Cb 0.00 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.40 2fhm s SER 67 CO 0.00 -0.27 0.39 -1.59 0.41 0.00 0.00 173.24 172.18 2fhm s LYS 68 N -1.15 0.89 0.47 12.44 0.00 -0.18 -4.55 119.74 127.65 2fhm s LYS 68 Ca -0.13 -0.38 -0.12 0.00 0.00 0.00 0.00 55.97 55.35 2fhm s LYS 68 Cb -0.07 0.39 -0.06 0.00 0.00 0.00 0.00 37.83 38.09 2fhm s LYS 68 CO 0.00 -0.30 0.87 0.14 0.00 0.00 0.00 175.35 176.06 2fhm s VAL 69 N -2.43 4.71 0.00 1.79 -7.23 -1.26 -1.11 120.40 114.87 2fhm s VAL 69 Ca -0.06 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 2fhm s VAL 69 Cb -0.01 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.18 2fhm s VAL 69 CO -0.02 -0.67 0.00 0.35 -0.31 0.00 0.00 175.10 174.45 2fhm n THR 70 N -1.62 0.00 -3.76 5.32 -2.24 0.44 -4.87 114.28 107.56 2fhm n THR 70 Ca 0.04 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2fhm n THR 70 Cb 0.54 0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.09 -0.29 -0.11 3.42 2.15 -0.73 -4.98 116.67 115.03 2fhm s ASP 71 Ca 0.00 0.48 -0.11 0.00 0.43 0.00 0.00 52.55 53.35 2fhm s ASP 71 Cb 0.00 0.56 0.03 0.00 -0.30 0.00 0.00 42.92 43.21 2fhm s ASP 71 CO 0.00 -0.21 0.31 -0.51 -0.17 0.00 0.00 175.17 174.59 2fhm s ILE 72 N -0.28 0.00 -0.01 4.11 2.07 -1.26 -1.36 121.20 124.46 2fhm s ILE 72 Ca -0.04 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2fhm s ILE 72 Cb -0.03 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 42.12 2fhm s ILE 72 CO 0.02 -0.01 -0.01 -0.44 -1.91 0.00 0.00 174.94 172.59 2fhm s SER 73 N 0.10 0.29 0.02 4.50 0.01 -0.31 -5.02 113.70 113.29 2fhm s SER 73 Ca -0.01 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.25 2fhm s SER 73 Cb -0.02 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 2fhm s SER 73 CO 0.01 -0.04 -0.08 0.54 0.41 0.00 0.00 173.24 174.08 2fhm s VAL 74 N 0.50 0.57 0.05 3.43 0.11 -1.26 -0.82 120.40 122.97 2fhm s VAL 74 Ca -0.05 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.35 2fhm s VAL 74 Cb -0.07 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 2fhm s VAL 74 CO -0.01 -0.10 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.67 2fhm s THR 75 N -0.74 0.71 0.08 5.04 2.01 0.11 -5.01 115.64 117.84 2fhm s THR 75 Ca -0.03 -1.14 0.03 0.00 0.31 0.00 0.00 61.69 60.86 2fhm s THR 75 Cb -0.06 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 2fhm s THR 75 CO 0.00 -0.33 -0.09 -1.61 -0.69 0.00 0.00 174.62 171.90 2fhm s GLU 76 N -1.62 0.76 -0.10 4.92 2.02 -1.26 -1.12 118.70 122.31 2fhm s GLU 76 Ca -0.08 -1.07 -0.23 0.00 0.02 0.00 0.00 54.97 53.61 2fhm s GLU 76 Cb -0.10 -0.43 0.05 0.00 0.10 0.00 0.00 34.13 33.75 2fhm s GLU 76 CO 0.01 0.06 0.55 -1.12 0.02 0.00 0.00 175.26 174.78 2fhm s SER 77 N -2.28 -0.52 0.31 -0.19 0.01 -0.68 -4.98 113.70 105.36 2fhm s SER 77 Ca 0.02 0.71 0.13 0.00 1.31 0.00 0.00 55.95 58.12 2fhm s SER 77 Cb -0.04 0.70 0.49 0.00 0.21 0.00 0.00 66.02 67.39 2fhm s SER 77 CO -0.01 -0.43 1.68 0.03 0.41 0.00 0.00 173.24 174.93 2fhm h ARG 78 N 4.00 0.00 -6.38 12.44 2.47 -1.84 0.60 114.38 125.68 2fhm h ARG 78 Ca -0.28 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.91 2fhm h ARG 78 Cb 1.16 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.50 2fhm h ARG 78 CO 0.31 0.52 1.17 -1.12 0.56 0.00 0.00 179.97 181.41 2fhm s SER 79 N -6.78 6.49 0.95 7.04 0.01 -1.26 -3.45 113.70 116.71 2fhm s SER 79 Ca -0.01 2.60 -0.11 0.00 1.31 0.00 0.00 55.95 59.74 2fhm s SER 79 Cb 0.13 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.98 2fhm s SER 79 CO 0.74 -1.01 1.09 -0.76 0.41 0.00 0.00 173.24 173.71 2fhm s LEU 80 N 3.90 2.15 0.00 2.44 1.02 -1.26 -4.37 118.68 122.57 2fhm s LEU 80 Ca 0.83 1.72 0.00 0.00 0.02 0.00 0.00 54.13 56.71 2fhm s LEU 80 Cb -0.42 -4.03 0.00 0.00 0.02 0.00 0.00 46.19 41.76 2fhm s LEU 80 CO 0.38 -3.09 0.00 -1.84 0.02 0.00 0.00 176.35 171.82 2fhm n GLU 81 N -4.20 2.14 0.00 1.70 -0.00 -1.26 -5.08 120.64 113.93 2fhm n GLU 81 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.24 2fhm n GLU 81 Cb 0.54 -0.18 0.00 0.00 -0.00 0.00 0.00 31.44 31.80 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2fhm n GLY 82 N 0.00 1.28 3.70 -1.84 0.00 -1.26 -5.12 105.19 101.94 2fhm n GLY 82 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2fhm n GLY 82 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2fhm n HIS 83 N 0.00 1.86 -0.62 1.61 8.25 -1.26 -4.94 115.22 120.12 2fhm n HIS 83 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 2fhm n HIS 83 Cb 0.00 -2.31 0.00 0.00 1.12 0.00 0.00 29.99 28.80 2fhm n HIS 83 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2fhm n HIS 84 N -0.96 0.00 -3.89 4.41 -0.00 -1.26 -4.84 115.22 108.68 2fhm n HIS 84 Ca 0.10 -0.15 -0.09 0.00 0.46 0.00 0.00 57.72 58.04 2fhm n HIS 84 Cb 0.44 -0.01 -0.06 0.00 -0.12 0.00 0.00 29.99 30.23 2fhm n HIS 84 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2fhm s ARG 85 N -0.29 1.14 0.25 1.57 1.70 -1.26 -4.99 118.95 117.06 2fhm s ARG 85 Ca 0.00 -1.07 -0.22 0.00 -0.47 0.00 0.00 55.73 53.98 2fhm s ARG 85 Cb 0.00 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.69 2fhm s ARG 85 CO 0.00 -0.43 0.78 -0.59 -1.08 0.00 0.00 175.30 173.99 2fhm s PHE 86 N -3.93 3.67 0.05 5.89 -0.12 -1.26 -1.44 117.98 120.85 2fhm s PHE 86 Ca 0.13 1.50 -0.05 0.00 -0.05 0.00 0.00 56.93 58.47 2fhm s PHE 86 Cb 0.03 -2.70 -0.02 0.00 -0.63 0.00 0.00 43.02 39.69 2fhm s PHE 86 CO -0.03 0.31 0.07 -1.12 -0.05 0.00 0.00 175.22 174.41 2fhm s SER 87 N -1.62 0.27 -0.02 1.98 0.01 0.13 -4.91 113.70 109.54 2fhm s SER 87 Ca 0.45 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 57.00 2fhm s SER 87 Cb -0.17 0.24 0.01 0.00 0.21 0.00 0.00 66.02 66.31 2fhm s SER 87 CO 0.22 -0.59 -0.05 -0.63 0.41 0.00 0.00 173.24 172.60 2fhm s ILE 88 N -3.34 0.44 -0.03 1.44 1.01 -1.26 -1.05 121.20 118.41 2fhm s ILE 88 Ca 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 2fhm s ILE 88 Cb 0.03 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.08 2fhm s ILE 88 CO -0.08 0.16 0.09 0.54 0.00 0.00 0.00 174.94 175.65 2fhm s VAL 89 N 0.34 0.02 0.00 2.92 0.11 -0.36 -4.96 120.40 118.47 2fhm s VAL 89 Ca -0.04 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 2fhm s VAL 89 Cb -0.08 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 2fhm s VAL 89 CO -0.00 -0.10 0.20 0.00 -3.33 0.00 0.00 175.10 171.87 2fhm n TYR 90 N 2.68 0.00 0.00 1.54 4.11 -1.26 -3.33 117.16 120.90 2fhm n TYR 90 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 2fhm n TYR 90 Cb 0.58 0.09 0.00 0.00 -0.00 0.00 0.00 39.34 40.02 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29