#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 1.29 0.08 -0.89 1.43 -0.92 -4.86 118.68 114.81 2fhm s LEU 2 Ca 0.00 -1.52 -0.15 0.00 -1.03 0.00 0.00 54.13 51.43 2fhm s LEU 2 Cb 0.00 0.82 0.03 0.00 0.03 0.00 0.00 46.19 47.07 2fhm s LEU 2 CO 0.00 -1.06 0.36 -1.58 0.23 0.00 0.00 176.35 174.29 2fhm s GLN 3 N -3.60 0.94 0.25 1.70 0.74 -0.37 -1.51 119.66 117.81 2fhm s GLN 3 Ca 0.36 -0.60 0.07 0.00 0.05 0.00 0.00 55.36 55.25 2fhm s GLN 3 Cb 0.03 0.41 -0.05 0.00 1.10 0.00 0.00 33.01 34.50 2fhm s GLN 3 CO 0.20 -0.34 -0.10 1.52 -0.55 0.00 0.00 175.29 176.02 2fhm s TYR 4 N -3.17 1.87 -0.01 1.67 -0.85 -0.09 -0.94 117.35 115.83 2fhm s TYR 4 Ca -0.01 -0.62 0.02 0.00 -0.52 0.00 0.00 57.07 55.93 2fhm s TYR 4 Cb 0.01 -0.97 -0.00 0.00 0.38 0.00 0.00 41.96 41.38 2fhm s TYR 4 CO -0.07 0.34 -0.05 0.50 -1.52 0.00 0.00 175.55 174.74 2fhm s ARG 5 N -3.68 0.48 0.01 -3.49 3.52 -0.20 -2.50 118.95 113.10 2fhm s ARG 5 Ca 0.27 -0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.70 2fhm s ARG 5 Cb 0.01 -0.48 -0.01 0.00 -1.56 0.00 0.00 34.95 32.92 2fhm s ARG 5 CO 0.10 0.09 -0.04 0.42 -0.81 0.00 0.00 175.30 175.06 2fhm s ILE 6 N 0.02 0.26 -0.02 4.11 1.01 0.08 -0.79 121.20 125.87 2fhm s ILE 6 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.26 2fhm s ILE 6 Cb -0.04 -0.28 -0.00 0.00 0.01 0.00 0.00 42.46 42.15 2fhm s ILE 6 CO -0.00 -0.11 -0.11 0.27 0.00 0.00 0.00 174.94 174.98 2fhm s ILE 7 N -0.53 0.93 -0.01 2.92 -0.00 -0.46 -1.08 121.20 122.97 2fhm s ILE 7 Ca -0.04 -0.47 -0.05 0.00 -0.00 0.00 0.00 60.65 60.09 2fhm s ILE 7 Cb -0.04 -0.80 0.00 0.00 -0.00 0.00 0.00 42.46 41.62 2fhm s ILE 7 CO -0.00 0.27 0.12 0.68 -0.00 0.00 0.00 174.94 176.01 2fhm s VAL 8 N -0.05 0.06 0.02 8.37 -7.23 -0.25 -1.11 120.40 120.21 2fhm s VAL 8 Ca 0.01 -0.49 -0.02 0.00 -1.81 0.00 0.00 61.98 59.66 2fhm s VAL 8 Cb -0.07 -0.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.52 2fhm s VAL 8 CO 0.00 -0.27 0.02 -0.62 -0.31 0.00 0.00 175.10 173.92 2fhm s ASP 9 N -0.91 0.23 0.00 4.85 2.15 -0.55 -1.11 116.67 121.33 2fhm s ASP 9 Ca -0.10 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.35 2fhm s ASP 9 Cb -0.06 0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 2fhm s ASP 9 CO 0.01 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 2fhm n GLY 10 N 1.21 0.15 3.14 2.66 0.00 -1.26 -0.42 105.19 110.68 2fhm n GLY 10 Ca -0.21 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 2.45 -0.12 1.61 3.00 -0.03 -4.57 116.66 119.00 2fhm n ARG 11 Ca 0.00 -2.58 0.06 0.00 -0.00 0.00 0.00 57.85 55.34 2fhm n ARG 11 Cb 0.00 -3.32 0.13 0.00 0.00 0.00 0.00 32.46 29.27 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 6.00 0.62 -3.86 5.15 0.24 -1.25 -1.27 118.33 123.96 2fhm n VAL 12 Ca 0.50 -0.81 -0.10 0.00 -2.04 0.00 0.00 64.34 61.89 2fhm n VAL 12 Cb 0.42 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 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 -1.02 1.17 0.00 7.34 -1.52 -1.26 -4.48 119.66 119.89 2fhm s GLN 13 Ca 0.22 -1.03 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 2fhm s GLN 13 Cb 0.13 0.42 0.00 0.00 -0.22 0.00 0.00 33.01 33.33 2fhm s GLN 13 CO 0.17 -0.45 0.00 0.41 -0.25 0.00 0.00 175.29 175.17 2fhm n GLY 14 N -0.23 1.02 0.06 3.09 0.00 -1.26 -4.83 105.19 103.04 2fhm n GLY 14 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.23 -0.20 1.61 0.24 -1.26 -5.01 118.33 111.93 2fhm n VAL 15 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2fhm n VAL 15 Cb 0.00 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 -0.13 0.84 0.36 7.63 0.00 -1.26 -4.86 105.19 107.78 2fhm n GLY 16 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 1.13 -0.75 1.61 3.57 -1.91 -0.31 116.94 120.28 2fhm h PHE 17 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2fhm h PHE 17 Cb 0.00 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.35 2fhm h PHE 17 CO 0.00 0.44 0.47 -0.09 -2.23 0.00 0.00 178.31 176.90 2fhm h ARG 18 N 0.98 1.00 -0.05 1.11 2.43 -1.94 0.48 114.38 118.38 2fhm h ARG 18 Ca 0.49 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.54 2fhm h ARG 18 Cb 0.50 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2fhm h ARG 18 CO -0.26 0.69 -0.17 -0.92 -1.51 0.00 0.00 179.97 177.80 2fhm h TYR 19 N 1.02 0.25 -0.76 2.20 3.20 -1.72 -3.28 116.97 117.89 2fhm h TYR 19 Ca 0.27 -0.11 0.12 0.00 3.14 0.00 0.00 58.73 62.15 2fhm h TYR 19 Cb -0.07 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.07 2fhm h TYR 19 CO 0.00 0.79 0.36 0.35 -1.64 0.00 0.00 178.16 178.03 2fhm h PHE 20 N -0.36 0.64 -0.42 -3.82 3.04 -0.41 0.54 116.94 116.16 2fhm h PHE 20 Ca -0.01 0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.05 2fhm h PHE 20 Cb 0.80 -0.17 -0.07 0.00 2.56 0.00 0.00 35.95 39.07 2fhm h PHE 20 CO 0.13 0.18 -0.01 0.28 -2.02 0.00 0.00 178.31 176.88 2fhm h VAL 21 N 0.57 0.68 0.00 1.41 2.07 -1.03 0.29 116.25 120.24 2fhm h VAL 21 Ca 0.39 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.87 2fhm h VAL 21 Cb 0.50 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2fhm h VAL 21 CO -0.32 0.02 -0.06 1.56 0.02 0.00 0.00 177.57 178.78 2fhm h GLN 22 N 0.10 0.00 -0.41 1.57 1.08 -1.19 -0.61 115.11 115.65 2fhm h GLN 22 Ca 0.21 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.33 2fhm h GLN 22 Cb 0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2fhm h GLN 22 CO -0.35 0.06 -0.04 1.98 -0.95 0.00 0.00 178.83 179.53 2fhm h MET 23 N 0.00 0.75 -0.16 1.46 1.85 0.05 -0.19 114.93 118.69 2fhm h MET 23 Ca -0.00 -0.26 -0.16 0.00 -0.61 0.00 0.00 59.70 58.67 2fhm h MET 23 Cb 0.97 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.93 2fhm h MET 23 CO 0.01 0.86 -0.56 0.93 -0.40 0.00 0.00 176.91 177.75 2fhm h GLU 24 N 0.57 0.48 -0.27 0.39 4.39 -0.74 -0.41 114.58 118.99 2fhm h GLU 24 Ca 0.11 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2fhm h GLU 24 Cb 0.54 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2fhm h GLU 24 CO 0.03 0.91 0.18 0.00 -1.16 0.00 0.00 179.01 178.96 2fhm h ALA 25 N 1.03 0.35 -0.72 3.43 0.00 -1.04 -1.53 119.26 120.78 2fhm h ALA 25 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2fhm h ALA 25 Cb 1.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2fhm h ALA 25 CO 0.10 -0.17 0.34 0.22 0.00 0.00 0.00 179.25 179.74 2fhm h ASP 26 N 0.37 0.95 -0.06 0.00 3.58 -0.84 0.46 116.42 120.88 2fhm h ASP 26 Ca 0.10 -0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.43 2fhm h ASP 26 Cb -0.03 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.78 2fhm h ASP 26 CO -0.02 0.82 0.04 0.50 -2.88 0.00 0.00 179.24 177.70 2fhm h LYS 27 N 1.01 0.00 -0.47 0.28 3.11 -0.79 -0.04 116.57 119.66 2fhm h LYS 27 Ca 0.25 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.09 2fhm h LYS 27 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2fhm h LYS 27 CO -0.03 0.00 0.00 0.54 -2.81 0.00 0.00 179.45 177.15 2fhm n ARG 28 N -4.52 2.47 -4.40 1.90 5.12 -0.60 -4.97 116.66 111.66 2fhm n ARG 28 Ca -0.02 -2.25 -0.39 0.00 -1.93 0.00 0.00 57.85 53.26 2fhm n ARG 28 Cb 0.14 -1.51 -0.06 0.00 -1.16 0.00 0.00 32.46 29.87 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 1.41 -1.74 -1.62 5.56 4.76 -0.03 -4.88 118.16 121.62 2fhm n LYS 29 Ca 0.20 0.23 -0.30 0.00 -2.87 0.00 0.00 58.31 55.58 2fhm n LYS 29 Cb 0.58 -4.80 0.08 0.00 -1.84 0.00 0.00 35.03 29.05 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 -7.26 2.70 -0.02 -0.35 1.43 -0.05 -4.98 118.68 110.15 2fhm s LEU 30 Ca 0.73 1.29 -0.03 0.00 -1.03 0.00 0.00 54.13 55.09 2fhm s LEU 30 Cb -0.42 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 41.85 2fhm s LEU 30 CO 0.99 -1.80 0.08 0.00 0.23 0.00 0.00 176.35 175.84 2fhm s ALA 31 N -3.19 -0.18 0.00 4.21 0.00 -1.16 -4.29 121.76 117.14 2fhm s ALA 31 Ca 0.60 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2fhm s ALA 31 Cb -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2fhm s ALA 31 CO 0.54 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2fhm n GLY 32 N 2.66 -0.50 3.26 0.00 0.00 -0.24 -1.15 105.19 109.22 2fhm n GLY 32 Ca -0.15 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.51 1.30 0.02 1.61 -2.14 0.05 -0.32 118.94 115.96 2fhm s TRP 33 Ca 0.00 -0.88 0.03 0.00 2.66 0.00 0.00 56.10 57.92 2fhm s TRP 33 Cb 0.00 -0.71 -0.02 0.00 -3.10 0.00 0.00 33.47 29.64 2fhm s TRP 33 CO 0.00 -0.04 -0.11 0.54 -2.66 0.00 0.00 176.95 174.69 2fhm s VAL 34 N -3.45 0.83 0.18 -0.66 0.11 -0.15 -1.46 120.40 115.80 2fhm s VAL 34 Ca 0.21 -0.78 -0.11 0.00 -2.93 0.00 0.00 61.98 58.37 2fhm s VAL 34 Cb 0.04 -0.76 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2fhm s VAL 34 CO 0.03 -0.00 0.36 -1.59 -3.33 0.00 0.00 175.10 170.57 2fhm s LYS 35 N -0.87 1.27 -0.21 1.54 -2.85 -0.49 -1.20 119.74 116.93 2fhm s LYS 35 Ca -0.00 -1.12 -0.03 0.00 -1.00 0.00 0.00 55.97 53.81 2fhm s LYS 35 Cb -0.07 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.12 2fhm s LYS 35 CO 0.01 -0.49 -0.05 1.21 0.10 0.00 0.00 175.35 176.12 2fhm s ASN 36 N -2.96 4.31 0.58 0.03 3.84 -1.26 -1.10 114.94 118.38 2fhm s ASN 36 Ca 0.17 -0.36 -0.16 0.00 0.21 0.00 0.00 52.86 52.71 2fhm s ASN 36 Cb 0.02 -1.73 -0.04 0.00 -0.55 0.00 0.00 41.25 38.95 2fhm s ASN 36 CO 0.01 0.01 1.06 -0.13 -2.79 0.00 0.00 177.10 175.27 2fhm s ARG 37 N 1.28 3.33 0.47 0.43 0.52 0.37 -4.85 118.95 120.51 2fhm s ARG 37 Ca 0.03 1.26 0.13 0.00 -0.52 0.00 0.00 55.73 56.63 2fhm s ARG 37 Cb -0.14 -2.03 1.10 0.00 0.52 0.00 0.00 34.95 34.40 2fhm s ARG 37 CO -0.02 -0.81 2.10 0.22 0.02 0.00 0.00 175.30 176.81 2fhm h ASP 38 N 0.57 0.15 0.62 0.23 3.58 -2.00 -0.94 116.42 118.63 2fhm h ASP 38 Ca -0.47 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2fhm h ASP 38 Cb 1.22 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2fhm h ASP 38 CO 0.57 0.14 0.00 -0.90 -2.88 0.00 0.00 179.24 176.17 2fhm n ASP 39 N -4.49 0.22 0.00 2.28 5.68 -1.26 -4.91 116.55 114.07 2fhm n ASP 39 Ca -0.01 0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 2fhm n ASP 39 Cb 0.10 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 2fhm n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fhm n GLY 40 N 0.11 1.39 3.76 6.12 0.00 -0.36 -5.10 105.19 111.12 2fhm n GLY 40 Ca 0.03 0.00 -0.36 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 -0.06 3.12 0.45 1.61 3.00 -1.26 -4.66 118.95 121.15 2fhm s ARG 41 Ca 0.00 1.78 -0.21 0.00 0.00 0.00 0.00 55.73 57.30 2fhm s ARG 41 Cb 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 34.95 32.88 2fhm s ARG 41 CO 0.00 -1.08 1.00 0.08 0.00 0.00 0.00 175.30 175.30 2fhm s VAL 42 N -1.63 4.04 0.02 3.52 1.01 -0.27 -0.48 120.40 126.62 2fhm s VAL 42 Ca 0.75 1.30 0.04 0.00 0.00 0.00 0.00 61.98 64.07 2fhm s VAL 42 Cb -0.29 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2fhm s VAL 42 CO 0.32 -0.25 -0.13 -0.70 0.00 0.00 0.00 175.10 174.33 2fhm s GLU 43 N -3.15 0.96 0.01 2.72 2.12 -0.26 -1.09 118.70 120.01 2fhm s GLU 43 Ca 0.64 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 55.37 2fhm s GLU 43 Cb -0.14 -0.95 -0.01 0.00 0.26 0.00 0.00 34.13 33.30 2fhm s GLU 43 CO 0.17 0.24 -0.09 0.42 -0.54 0.00 0.00 175.26 175.47 2fhm s ILE 44 N -0.63 0.69 -0.03 -3.70 1.01 -0.24 -1.39 121.20 116.91 2fhm s ILE 44 Ca 0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 2fhm s ILE 44 Cb -0.07 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.79 2fhm s ILE 44 CO 0.01 0.03 0.06 -0.22 0.00 0.00 0.00 174.94 174.82 2fhm s LEU 45 N -0.63 1.44 0.16 2.97 2.96 -0.53 -0.74 118.68 124.30 2fhm s LEU 45 Ca 0.00 0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.81 2fhm s LEU 45 Cb -0.05 0.15 0.06 0.00 0.50 0.00 0.00 46.19 46.85 2fhm s LEU 45 CO 0.00 -0.07 0.58 0.00 -1.32 0.00 0.00 176.35 175.55 2fhm s ALA 46 N 0.48 -1.52 0.13 5.97 0.00 -1.04 -0.77 121.76 125.02 2fhm s ALA 46 Ca -0.04 0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.41 2fhm s ALA 46 Cb -0.05 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2fhm s ALA 46 CO -0.02 -0.77 -0.08 -1.83 0.00 0.00 0.00 175.76 173.06 2fhm s GLU 47 N -3.76 2.14 0.00 0.00 -1.05 -0.30 -0.92 118.70 114.82 2fhm s GLU 47 Ca 0.02 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 53.73 2fhm s GLU 47 Cb -0.01 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 31.41 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 0.41 -0.93 3.78 -3.83 0.00 -0.57 -3.00 105.19 101.05 2fhm n GLY 48 Ca -0.12 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 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 2.36 0.12 1.61 0.04 -1.26 -2.17 135.00 133.71 2fhm s PRO 49 Ca 0.00 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 61.92 2fhm s PRO 49 Cb 0.00 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2fhm s PRO 49 CO 0.00 -1.56 1.64 1.49 0.04 0.00 0.00 177.00 178.62 2fhm h GLU 50 N -1.06 -0.36 -0.47 4.56 4.81 -1.95 -1.42 114.58 118.69 2fhm h GLU 50 Ca -0.44 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2fhm h GLU 50 Cb 1.23 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 2fhm h GLU 50 CO 0.52 -0.24 0.13 -0.97 -0.73 0.00 0.00 179.01 177.72 2fhm h ASN 51 N -0.38 0.64 -0.05 1.04 -1.24 -1.99 0.30 115.58 113.91 2fhm h ASN 51 Ca 0.06 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 2fhm h ASN 51 Cb 0.45 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.33 2fhm h ASN 51 CO -0.20 0.62 0.01 0.00 -1.29 0.00 0.00 177.43 176.57 2fhm h ALA 52 N 1.47 0.06 -0.08 1.57 0.00 -1.78 -1.07 119.26 119.42 2fhm h ALA 52 Ca 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2fhm h ALA 52 Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2fhm h ALA 52 CO -0.01 -0.31 0.05 -0.07 0.00 0.00 0.00 179.25 178.90 2fhm h LEU 53 N -0.14 0.10 -0.55 0.00 3.38 -0.64 -1.54 115.31 115.91 2fhm h LEU 53 Ca 0.01 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2fhm h LEU 53 Cb 0.24 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2fhm h LEU 53 CO 0.00 0.16 -0.00 1.56 0.09 0.00 0.00 178.44 180.25 2fhm h GLN 54 N 0.04 0.98 -0.80 1.13 1.08 -0.98 -0.95 115.11 115.61 2fhm h GLN 54 Ca 0.03 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 56.88 2fhm h GLN 54 Cb 0.08 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2fhm h GLN 54 CO -0.00 0.98 0.35 0.77 -0.95 0.00 0.00 178.83 179.97 2fhm h SER 55 N 0.86 1.08 -0.24 1.46 0.02 -1.09 -0.71 113.55 114.92 2fhm h SER 55 Ca 0.16 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fhm h SER 55 Cb 0.54 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2fhm h SER 55 CO 0.03 0.94 0.16 0.15 -1.14 0.00 0.00 176.83 176.96 2fhm h PHE 56 N 1.15 0.31 -0.84 3.45 3.04 -0.99 -0.96 116.94 122.09 2fhm h PHE 56 Ca 0.27 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.28 2fhm h PHE 56 Cb 0.18 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.52 2fhm h PHE 56 CO 0.02 0.22 0.52 0.28 -2.02 0.00 0.00 178.31 177.33 2fhm h VAL 57 N 0.32 1.06 -0.77 1.41 2.07 -0.52 -0.77 116.25 119.06 2fhm h VAL 57 Ca 0.09 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2fhm h VAL 57 Cb -0.01 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 2fhm h VAL 57 CO -0.02 0.18 0.34 -0.33 0.02 0.00 0.00 177.57 177.76 2fhm h GLU 58 N 0.97 1.14 -0.91 1.57 4.39 -0.91 -0.15 114.58 120.68 2fhm h GLU 58 Ca 0.36 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2fhm h GLU 58 Cb 0.13 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 2fhm h GLU 58 CO -0.16 0.91 0.57 0.00 -1.16 0.00 0.00 179.01 179.17 2fhm h ALA 59 N 1.17 1.15 0.39 3.43 0.00 0.17 0.56 119.26 126.14 2fhm h ALA 59 Ca 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2fhm h ALA 59 Cb 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2fhm h ALA 59 CO -0.03 0.59 -0.19 0.28 0.00 0.00 0.00 179.25 179.90 2fhm h VAL 60 N 1.24 0.54 -0.52 0.00 2.07 -0.90 -3.33 116.25 115.35 2fhm h VAL 60 Ca 0.33 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2fhm h VAL 60 Cb -0.09 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2fhm h VAL 60 CO -0.07 0.08 0.32 0.50 0.02 0.00 0.00 177.57 178.43 2fhm h LYS 61 N -0.85 0.70 0.00 1.57 3.64 -0.70 -1.14 116.57 119.78 2fhm h LYS 61 Ca -0.05 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2fhm h LYS 61 Cb 0.54 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2fhm h LYS 61 CO 0.09 0.48 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.70 2fhm h ASN 62 N 0.71 0.00 -5.53 4.20 -1.24 -1.00 -3.46 115.58 109.26 2fhm h ASN 62 Ca 0.19 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.85 2fhm h ASN 62 Cb -0.04 0.00 0.14 0.00 0.73 0.00 0.00 38.32 39.15 2fhm h ASN 62 CO -0.04 0.08 -0.68 0.61 -1.29 0.00 0.00 177.43 176.11 2fhm n GLY 63 N -0.93 -0.41 0.27 1.57 0.00 -0.43 -4.95 105.19 100.31 2fhm n GLY 63 Ca -0.02 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.25 0.39 -1.96 1.61 0.02 -1.80 -3.45 113.55 106.12 2fhm h SER 64 Ca -0.55 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 2fhm h SER 64 Cb 1.34 0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.91 2fhm h SER 64 CO 0.51 0.21 0.02 -0.81 -1.14 0.00 0.00 176.83 175.61 2fhm n PRO 65 N -4.91 -0.37 -0.25 3.45 -0.04 -1.26 -4.96 135.00 126.65 2fhm n PRO 65 Ca 0.12 -0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.42 2fhm n PRO 65 Cb 0.32 -0.08 0.05 0.00 -0.04 0.00 0.00 33.50 33.75 2fhm n PRO 65 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2fhm h PHE 66 N -1.19 0.89 -4.12 0.54 3.04 -1.94 -3.43 116.94 110.73 2fhm h PHE 66 Ca -0.02 0.01 -0.55 0.00 3.98 0.00 0.00 57.97 61.39 2fhm h PHE 66 Cb 0.07 -0.30 0.15 0.00 2.56 0.00 0.00 35.95 38.43 2fhm h PHE 66 CO 0.00 0.57 0.49 -1.54 -2.02 0.00 0.00 178.31 175.81 2fhm s SER 67 N -5.86 4.57 0.09 0.41 1.04 -1.26 -5.02 113.70 107.67 2fhm s SER 67 Ca -0.13 2.55 -0.22 0.00 0.48 0.00 0.00 55.95 58.63 2fhm s SER 67 Cb 0.14 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.71 2fhm s SER 67 CO 0.77 -2.02 0.54 -1.59 0.98 0.00 0.00 173.24 171.92 2fhm s LYS 68 N -3.48 1.13 0.35 4.02 0.00 -0.39 -4.54 119.74 116.83 2fhm s LYS 68 Ca 0.80 -0.37 -0.08 0.00 0.00 0.00 0.00 55.97 56.33 2fhm s LYS 68 Cb -0.35 0.52 -0.06 0.00 0.00 0.00 0.00 37.83 37.94 2fhm s LYS 68 CO 0.40 -0.45 0.67 0.14 0.00 0.00 0.00 175.35 176.11 2fhm s VAL 69 N -3.07 4.90 0.00 1.79 -7.23 -1.26 -0.85 120.40 114.67 2fhm s VAL 69 Ca -0.02 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2fhm s VAL 69 Cb -0.00 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.21 2fhm s VAL 69 CO -0.07 -0.42 0.00 0.35 -0.31 0.00 0.00 175.10 174.65 2fhm n THR 70 N -1.11 0.00 -3.78 5.32 -2.24 0.44 -4.87 114.28 108.03 2fhm n THR 70 Ca 0.00 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2fhm n THR 70 Cb 0.54 0.88 -0.11 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 -1.22 -0.26 -0.10 3.42 2.15 -0.77 -4.99 116.67 114.91 2fhm s ASP 71 Ca 0.00 0.47 -0.07 0.00 0.43 0.00 0.00 52.55 53.38 2fhm s ASP 71 Cb 0.00 0.51 0.03 0.00 -0.30 0.00 0.00 42.92 43.16 2fhm s ASP 71 CO 0.00 -0.13 0.24 -0.51 -0.17 0.00 0.00 175.17 174.61 2fhm s ILE 72 N -0.03 -0.01 -0.00 4.11 2.07 -1.26 -1.48 121.20 124.60 2fhm s ILE 72 Ca -0.02 0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.30 2fhm s ILE 72 Cb -0.02 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 2fhm s ILE 72 CO 0.01 0.02 -0.07 -0.44 -1.91 0.00 0.00 174.94 172.55 2fhm s SER 73 N 0.53 0.78 0.00 4.50 0.01 -0.27 -5.02 113.70 114.23 2fhm s SER 73 Ca -0.03 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.09 2fhm s SER 73 Cb -0.05 -0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 2fhm s SER 73 CO -0.03 0.06 -0.04 -0.69 0.41 0.00 0.00 173.24 172.95 2fhm s VAL 74 N -0.25 0.28 0.06 3.43 1.01 -1.26 -1.35 120.40 122.32 2fhm s VAL 74 Ca 0.02 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2fhm s VAL 74 Cb -0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2fhm s VAL 74 CO -0.00 0.02 -0.15 -0.89 0.00 0.00 0.00 175.10 174.07 2fhm s THR 75 N -0.24 1.18 0.02 3.92 2.01 0.03 -5.01 115.64 117.56 2fhm s THR 75 Ca -0.00 -1.19 0.03 0.00 0.31 0.00 0.00 61.69 60.83 2fhm s THR 75 Cb -0.02 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 2fhm s THR 75 CO -0.00 -0.10 -0.09 -1.83 -0.69 0.00 0.00 174.62 171.91 2fhm s GLU 76 N -1.49 0.60 0.23 4.92 -1.05 -1.26 -1.03 118.70 119.62 2fhm s GLU 76 Ca 0.00 -0.55 -0.13 0.00 -0.15 0.00 0.00 54.97 54.14 2fhm s GLU 76 Cb -0.09 -0.51 0.00 0.00 -0.44 0.00 0.00 34.13 33.09 2fhm s GLU 76 CO 0.02 0.12 0.46 -1.12 0.95 0.00 0.00 175.26 175.69 2fhm s SER 77 N -0.94 -0.10 0.00 0.83 0.01 -0.11 -4.98 113.70 108.40 2fhm s SER 77 Ca -0.03 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2fhm s SER 77 Cb -0.07 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2fhm s SER 77 CO 0.00 -1.09 0.43 0.54 0.41 0.00 0.00 173.24 173.54 2fhm n ARG 78 N -0.35 -0.33 0.12 12.44 5.12 -1.26 -1.24 116.66 131.17 2fhm n ARG 78 Ca -0.04 -0.48 0.02 0.00 -1.93 0.00 0.00 57.85 55.42 2fhm n ARG 78 Cb 0.62 -0.86 0.39 0.00 -1.16 0.00 0.00 32.46 31.45 2fhm n ARG 78 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2fhm h SER 79 N 0.00 0.23 -2.56 0.55 0.02 -1.96 -3.49 113.55 106.35 2fhm h SER 79 Ca 0.00 -0.05 0.28 0.00 -0.84 0.00 0.00 61.79 61.18 2fhm h SER 79 Cb 0.21 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 2fhm h SER 79 CO 0.00 0.39 -0.37 0.18 -1.14 0.00 0.00 176.83 175.88 2fhm n LEU 80 N -4.27 0.00 0.00 5.07 4.77 -1.26 -4.95 117.00 116.35 2fhm n LEU 80 Ca -0.01 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 2fhm n LEU 80 Cb 0.27 -3.12 0.00 0.00 -2.33 0.00 0.00 43.42 38.24 2fhm n LEU 80 CO 0.38 -2.43 0.00 -1.84 -1.33 0.00 0.00 177.39 172.17 2fhm n GLU 81 N -3.55 1.08 -1.14 3.23 0.28 -1.26 -5.05 120.64 114.23 2fhm n GLU 81 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.96 2fhm n GLU 81 Cb 0.47 -0.09 -0.02 0.00 1.43 0.00 0.00 31.44 33.23 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2fhm n GLY 82 N 0.00 0.73 3.74 -1.84 0.00 -1.26 -5.01 105.19 101.54 2fhm n GLY 82 Ca 0.00 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.09 2.20 0.00 1.61 3.76 -1.26 -4.97 115.29 114.54 2fhm s HIS 83 Ca 0.00 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 2fhm s HIS 83 Cb 0.00 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.22 2fhm s HIS 83 CO 0.00 -2.45 0.55 0.72 -0.85 0.00 0.00 174.74 172.71 2fhm n HIS 84 N -2.27 0.00 -3.79 1.40 8.25 -1.26 -4.88 115.22 112.66 2fhm n HIS 84 Ca 0.13 -0.15 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 2fhm n HIS 84 Cb 0.50 -0.01 -0.07 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 -0.30 0.84 0.37 -0.41 1.70 -1.26 -5.02 118.95 114.87 2fhm s ARG 85 Ca 0.00 -0.73 -0.26 0.00 -0.47 0.00 0.00 55.73 54.27 2fhm s ARG 85 Cb 0.00 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 2fhm s ARG 85 CO 0.00 -0.27 1.16 -0.59 -1.08 0.00 0.00 175.30 174.52 2fhm s PHE 86 N -3.22 3.16 0.03 5.89 -0.12 -1.26 -1.08 117.98 121.38 2fhm s PHE 86 Ca -0.00 1.57 0.00 0.00 -0.05 0.00 0.00 56.93 58.45 2fhm s PHE 86 Cb 0.02 -3.38 -0.02 0.00 -0.63 0.00 0.00 43.02 39.00 2fhm s PHE 86 CO -0.08 -1.18 -0.04 -1.12 -0.05 0.00 0.00 175.22 172.75 2fhm s SER 87 N -1.07 0.37 -0.22 1.98 0.01 0.57 -4.86 113.70 110.47 2fhm s SER 87 Ca 0.54 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 57.24 2fhm s SER 87 Cb -0.31 0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.08 2fhm s SER 87 CO 0.39 -0.31 -0.02 -0.63 0.41 0.00 0.00 173.24 173.08 2fhm s ILE 88 N -1.68 1.20 0.37 1.44 1.01 -1.26 -0.98 121.20 121.29 2fhm s ILE 88 Ca -0.13 -1.01 -0.27 0.00 0.00 0.00 0.00 60.65 59.24 2fhm s ILE 88 Cb -0.08 -1.55 -0.09 0.00 0.01 0.00 0.00 42.46 40.74 2fhm s ILE 88 CO -0.02 -0.14 1.23 -0.69 0.00 0.00 0.00 174.94 175.32 2fhm s VAL 89 N 1.54 2.96 -0.09 2.92 1.01 -0.34 -4.92 120.40 123.48 2fhm s VAL 89 Ca -0.04 0.88 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 2fhm s VAL 89 Cb -0.18 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 32.74 2fhm s VAL 89 CO -0.07 0.15 1.74 -1.22 0.00 0.00 0.00 175.10 175.70 2fhm n TYR 90 N 0.44 0.48 0.00 5.22 4.01 -1.26 -4.78 117.16 121.26 2fhm n TYR 90 Ca 0.02 -1.12 0.00 0.00 -0.16 0.00 0.00 57.90 56.64 2fhm n TYR 90 Cb 0.44 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83