#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 1.46 0.05 -0.89 2.96 -0.93 -4.87 118.68 116.46 2fhm s LEU 2 Ca 0.00 -1.65 -0.17 0.00 -0.22 0.00 0.00 54.13 52.09 2fhm s LEU 2 Cb 0.00 0.88 0.03 0.00 0.50 0.00 0.00 46.19 47.60 2fhm s LEU 2 CO 0.00 -1.14 0.38 -1.58 -1.32 0.00 0.00 176.35 172.69 2fhm s GLN 3 N -3.33 0.90 0.32 1.98 0.74 -0.37 -1.42 119.66 118.47 2fhm s GLN 3 Ca 0.37 -0.42 0.10 0.00 0.05 0.00 0.00 55.36 55.46 2fhm s GLN 3 Cb 0.02 0.40 -0.05 0.00 1.10 0.00 0.00 33.01 34.47 2fhm s GLN 3 CO 0.24 -0.31 -0.05 1.52 -0.55 0.00 0.00 175.29 176.15 2fhm s TYR 4 N -2.57 2.49 -0.02 1.67 -0.85 -0.35 -0.87 117.35 116.85 2fhm s TYR 4 Ca -0.05 -0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.13 2fhm s TYR 4 Cb -0.01 -1.32 0.01 0.00 0.38 0.00 0.00 41.96 41.02 2fhm s TYR 4 CO -0.03 0.57 -0.05 1.03 -1.52 0.00 0.00 175.55 175.55 2fhm s ARG 5 N -3.65 0.63 0.00 -3.49 0.52 -0.19 -3.20 118.95 109.58 2fhm s ARG 5 Ca 0.33 -0.17 -0.01 0.00 -0.52 0.00 0.00 55.73 55.37 2fhm s ARG 5 Cb -0.02 -0.63 -0.00 0.00 0.52 0.00 0.00 34.95 34.81 2fhm s ARG 5 CO 0.18 0.04 0.00 0.42 0.02 0.00 0.00 175.30 175.97 2fhm s ILE 6 N 0.32 0.03 -0.03 1.52 1.01 -0.22 -0.73 121.20 123.11 2fhm s ILE 6 Ca -0.04 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.39 2fhm s ILE 6 Cb -0.08 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 2fhm s ILE 6 CO -0.00 -0.16 -0.21 -0.63 0.00 0.00 0.00 174.94 173.95 2fhm s ILE 7 N -0.46 1.64 0.04 2.92 -1.09 -0.53 -1.01 121.20 122.72 2fhm s ILE 7 Ca -0.05 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 2fhm s ILE 7 Cb -0.03 -1.37 -0.03 0.00 -1.58 0.00 0.00 42.46 39.44 2fhm s ILE 7 CO -0.00 0.46 -0.04 0.68 -1.23 0.00 0.00 174.94 174.81 2fhm s VAL 8 N -0.36 0.28 0.04 2.92 -7.23 0.02 -1.43 120.40 114.65 2fhm s VAL 8 Ca 0.05 -1.40 -0.09 0.00 -1.81 0.00 0.00 61.98 58.73 2fhm s VAL 8 Cb -0.09 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.89 2fhm s VAL 8 CO 0.00 -0.72 0.18 -0.62 -0.31 0.00 0.00 175.10 173.63 2fhm s ASP 9 N -2.22 0.06 0.00 4.85 2.15 -0.19 -0.87 116.67 120.45 2fhm s ASP 9 Ca -0.03 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.56 2fhm s ASP 9 Cb -0.01 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 2fhm s ASP 9 CO -0.05 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.02 2fhm n GLY 10 N 0.73 0.12 3.57 2.66 0.00 -1.26 -0.52 105.19 110.49 2fhm n GLY 10 Ca -0.19 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 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 3.34 0.00 1.61 3.52 0.03 -4.57 118.95 120.88 2fhm s ARG 11 Ca 0.00 -1.36 0.00 0.00 -0.13 0.00 0.00 55.73 54.24 2fhm s ARG 11 Cb 0.00 -5.36 0.00 0.00 -1.56 0.00 0.00 34.95 28.03 2fhm s ARG 11 CO 0.00 -2.81 0.63 1.33 -0.81 0.00 0.00 175.30 173.63 2fhm n VAL 12 N 7.05 0.39 -4.04 7.11 0.24 -1.26 -1.32 118.33 126.49 2fhm n VAL 12 Ca 0.43 -0.54 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 2fhm n VAL 12 Cb 0.47 0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 33.71 2fhm n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2fhm s GLN 13 N -0.39 1.31 0.00 7.34 -1.52 -1.26 -4.32 119.66 120.82 2fhm s GLN 13 Ca 0.00 -1.33 0.00 0.00 -1.95 0.00 0.00 55.36 52.08 2fhm s GLN 13 Cb 0.00 0.38 0.00 0.00 -0.22 0.00 0.00 33.01 33.17 2fhm s GLN 13 CO 0.00 -0.49 0.00 0.41 -0.25 0.00 0.00 175.29 174.96 2fhm n GLY 14 N -0.29 2.03 0.02 3.09 0.00 -1.26 -4.77 105.19 104.02 2fhm n GLY 14 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.34 -0.79 1.61 0.24 -1.26 -5.02 118.33 111.46 2fhm n VAL 15 Ca 0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2fhm n VAL 15 Cb 0.00 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 2fhm n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fhm n GLY 16 N -0.18 0.55 0.34 7.63 0.00 -1.26 -4.96 105.19 107.30 2fhm n GLY 16 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 0.97 0.00 1.61 3.57 -1.90 -0.32 116.94 120.86 2fhm h PHE 17 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2fhm h PHE 17 Cb 0.00 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 2fhm h PHE 17 CO 0.00 0.29 -0.12 0.07 -2.23 0.00 0.00 178.31 176.32 2fhm h ARG 18 N 0.79 0.00 0.02 1.11 0.11 -1.94 -0.50 114.38 113.98 2fhm h ARG 18 Ca 0.50 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.41 2fhm h ARG 18 Cb 0.64 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.73 2fhm h ARG 18 CO -0.33 0.12 -0.66 -0.92 0.10 0.00 0.00 179.97 178.28 2fhm h TYR 19 N 0.00 0.62 -0.49 4.08 3.20 -1.52 -3.29 116.97 119.57 2fhm h TYR 19 Ca -0.00 -0.35 0.09 0.00 3.14 0.00 0.00 58.73 61.61 2fhm h TYR 19 Cb 0.45 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.58 2fhm h TYR 19 CO 0.00 1.19 -0.01 0.35 -1.64 0.00 0.00 178.16 178.05 2fhm h PHE 20 N -0.12 -0.04 -0.51 -3.82 3.57 -0.24 -0.31 116.94 115.47 2fhm h PHE 20 Ca -0.09 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2fhm h PHE 20 Cb 1.39 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.19 2fhm h PHE 20 CO 0.15 -0.11 0.27 -0.39 -2.23 0.00 0.00 178.31 175.99 2fhm h VAL 21 N 0.11 1.16 0.00 1.41 -1.51 -1.26 -1.01 116.25 115.15 2fhm h VAL 21 Ca 0.25 -0.43 -0.07 0.00 -1.23 0.00 0.00 66.70 65.22 2fhm h VAL 21 Cb 0.37 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.01 2fhm h VAL 21 CO -0.41 0.18 -0.32 1.56 -1.23 0.00 0.00 177.57 177.36 2fhm h GLN 22 N 0.71 0.00 -0.09 5.19 1.08 -1.19 0.22 115.11 121.03 2fhm h GLN 22 Ca 0.18 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 2fhm h GLN 22 Cb 0.04 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2fhm h GLN 22 CO -0.03 0.32 0.03 0.52 -0.95 0.00 0.00 178.83 178.72 2fhm h MET 23 N 0.00 0.14 0.00 1.46 2.86 0.07 -1.46 114.93 118.00 2fhm h MET 23 Ca -0.00 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2fhm h MET 23 Cb 0.99 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2fhm h MET 23 CO 0.04 0.27 -0.17 0.93 1.06 0.00 0.00 176.91 179.04 2fhm h GLU 24 N -0.02 0.00 0.11 1.72 4.39 -0.81 0.21 114.58 120.17 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 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2fhm h GLU 24 CO -0.00 0.17 -0.05 0.00 -1.16 0.00 0.00 179.01 177.97 2fhm h ALA 25 N 1.83 -0.14 -0.81 3.43 0.00 -0.50 -3.17 119.26 119.90 2fhm h ALA 25 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2fhm h ALA 25 Cb 0.62 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2fhm h ALA 25 CO 0.02 -0.38 0.42 0.22 0.00 0.00 0.00 179.25 179.53 2fhm h ASP 26 N -0.56 1.02 0.38 0.00 3.58 -0.72 0.04 116.42 120.17 2fhm h ASP 26 Ca -0.01 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2fhm h ASP 26 Cb 0.45 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2fhm h ASP 26 CO 0.02 0.84 0.00 2.29 -2.88 0.00 0.00 179.24 179.51 2fhm n LYS 27 N -4.33 0.17 -0.23 0.28 -0.00 0.01 -0.97 118.16 113.08 2fhm n LYS 27 Ca 0.08 0.53 0.09 0.00 -0.00 0.00 0.00 58.31 59.01 2fhm n LYS 27 Cb 0.12 -1.91 0.19 0.00 -0.00 0.00 0.00 35.03 33.42 2fhm n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2fhm n ARG 28 N -2.24 1.98 -2.77 -1.58 5.12 -0.54 -4.99 116.66 111.63 2fhm n ARG 28 Ca 0.00 -2.70 -0.09 0.00 -1.93 0.00 0.00 57.85 53.14 2fhm n ARG 28 Cb 0.13 -1.65 -0.01 0.00 -1.16 0.00 0.00 32.46 29.77 2fhm n ARG 28 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2fhm n LYS 29 N -1.04 -2.65 -1.49 5.56 2.85 -0.15 -4.88 118.16 116.36 2fhm n LYS 29 Ca 0.18 0.18 -0.31 0.00 -1.05 0.00 0.00 58.31 57.32 2fhm n LYS 29 Cb 0.75 -4.73 0.07 0.00 -0.65 0.00 0.00 35.03 30.48 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2fhm s LEU 30 N -5.48 2.91 -0.06 -5.58 1.43 -0.11 -4.96 118.68 106.83 2fhm s LEU 30 Ca 0.12 1.56 -0.06 0.00 -1.03 0.00 0.00 54.13 54.72 2fhm s LEU 30 Cb -0.07 -4.31 0.02 0.00 0.03 0.00 0.00 46.19 41.86 2fhm s LEU 30 CO 0.15 -1.76 0.17 0.00 0.23 0.00 0.00 176.35 175.14 2fhm s ALA 31 N -3.04 -0.42 0.00 4.21 0.00 -1.18 -4.40 121.76 116.93 2fhm s ALA 31 Ca 0.60 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2fhm s ALA 31 Cb -0.15 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2fhm s ALA 31 CO 0.55 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2fhm n GLY 32 N 2.81 -0.42 3.30 0.00 0.00 -0.45 -1.31 105.19 109.11 2fhm n GLY 32 Ca -0.14 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.53 1.43 -0.00 1.61 -2.14 0.02 -0.85 118.94 115.48 2fhm s TRP 33 Ca 0.00 -0.92 0.04 0.00 2.66 0.00 0.00 56.10 57.89 2fhm s TRP 33 Cb 0.00 -0.81 -0.01 0.00 -3.10 0.00 0.00 33.47 29.55 2fhm s TRP 33 CO 0.00 -0.06 -0.13 0.54 -2.66 0.00 0.00 176.95 174.64 2fhm s VAL 34 N -3.46 1.04 -0.00 -0.66 0.11 -0.27 -1.45 120.40 115.71 2fhm s VAL 34 Ca 0.25 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 2fhm s VAL 34 Cb 0.05 -0.88 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 2fhm s VAL 34 CO 0.06 0.23 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.43 2fhm s LYS 35 N -0.46 0.76 0.53 1.54 1.02 -0.07 -0.92 119.74 122.14 2fhm s LYS 35 Ca 0.04 -0.37 -0.21 0.00 0.02 0.00 0.00 55.97 55.46 2fhm s LYS 35 Cb -0.06 -0.73 -0.06 0.00 -0.52 0.00 0.00 37.83 36.47 2fhm s LYS 35 CO -0.00 0.20 1.20 1.21 -0.92 0.00 0.00 175.35 177.04 2fhm s ASN 36 N -0.31 5.64 0.05 2.83 3.84 -0.72 -0.88 114.94 125.39 2fhm s ASN 36 Ca 0.03 2.38 0.07 0.00 0.21 0.00 0.00 52.86 55.55 2fhm s ASN 36 Cb -0.04 -2.60 -0.02 0.00 -0.55 0.00 0.00 41.25 38.03 2fhm s ASN 36 CO -0.00 -1.29 -0.19 -0.13 -2.79 0.00 0.00 177.10 172.70 2fhm s ARG 37 N -3.04 1.27 0.10 0.43 0.52 -0.03 -4.83 118.95 113.37 2fhm s ARG 37 Ca 0.71 -0.91 -0.32 0.00 -0.52 0.00 0.00 55.73 54.68 2fhm s ARG 37 Cb -0.30 -1.37 -0.12 0.00 0.52 0.00 0.00 34.95 33.68 2fhm s ARG 37 CO 0.35 0.34 1.77 -3.47 0.02 0.00 0.00 175.30 174.32 2fhm n ASP 38 N 1.81 3.70 -0.92 0.23 2.03 -1.26 -1.09 116.55 121.05 2fhm n ASP 38 Ca -0.17 1.01 0.01 0.00 0.52 0.00 0.00 54.79 56.16 2fhm n ASP 38 Cb 0.54 -1.49 0.16 0.00 -0.72 0.00 0.00 41.12 39.61 2fhm n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2fhm n ASP 39 N 5.14 2.19 0.00 1.67 2.03 -1.26 -4.62 116.55 121.70 2fhm n ASP 39 Ca 0.18 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.76 2fhm n ASP 39 Cb 0.34 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 2fhm n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2fhm n GLY 40 N -0.94 0.00 3.61 0.27 0.00 -0.25 -5.15 105.19 102.73 2fhm n GLY 40 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.76 -4.48 1.61 3.00 -1.20 -4.83 116.66 110.00 2fhm n ARG 41 Ca 0.00 -0.16 -0.25 0.00 -0.01 0.00 0.00 57.85 57.42 2fhm n ARG 41 Cb 0.00 -2.28 -0.13 0.00 0.00 0.00 0.00 32.46 30.04 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 -2.57 1.76 0.01 1.55 1.01 -0.05 -0.85 120.40 121.25 2fhm s VAL 42 Ca 0.66 -1.41 0.07 0.00 0.00 0.00 0.00 61.98 61.30 2fhm s VAL 42 Cb -0.23 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2fhm s VAL 42 CO 0.60 0.09 -0.21 -0.70 0.00 0.00 0.00 175.10 174.88 2fhm s GLU 43 N -1.58 2.10 -0.02 2.72 2.12 -0.06 -0.80 118.70 123.19 2fhm s GLU 43 Ca 0.08 -0.95 0.01 0.00 0.36 0.00 0.00 54.97 54.47 2fhm s GLU 43 Cb -0.09 -2.15 0.01 0.00 0.26 0.00 0.00 34.13 32.16 2fhm s GLU 43 CO 0.03 0.55 -0.03 0.42 -0.54 0.00 0.00 175.26 175.70 2fhm s ILE 44 N -0.80 0.33 -0.02 -3.70 1.01 -0.18 -0.89 121.20 116.96 2fhm s ILE 44 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2fhm s ILE 44 Cb -0.10 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 42.04 2fhm s ILE 44 CO 0.02 0.14 0.02 -0.22 0.00 0.00 0.00 174.94 174.90 2fhm s LEU 45 N 0.48 1.29 0.11 2.97 2.96 -0.53 -1.05 118.68 124.90 2fhm s LEU 45 Ca -0.05 0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.65 2fhm s LEU 45 Cb -0.08 -0.08 0.06 0.00 0.50 0.00 0.00 46.19 46.59 2fhm s LEU 45 CO -0.01 -0.10 0.57 0.00 -1.32 0.00 0.00 176.35 175.49 2fhm s ALA 46 N 0.83 -1.47 0.11 5.97 0.00 -1.19 -0.80 121.76 125.21 2fhm s ALA 46 Ca -0.07 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.47 2fhm s ALA 46 Cb -0.10 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 2fhm s ALA 46 CO -0.02 -0.65 0.04 -1.83 0.00 0.00 0.00 175.76 173.30 2fhm s GLU 47 N -3.18 2.67 0.00 0.00 -1.05 -0.42 -1.21 118.70 115.50 2fhm s GLU 47 Ca -0.01 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 2fhm s GLU 47 Cb -0.00 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.10 2fhm s GLU 47 CO -0.08 0.53 0.00 0.41 0.95 0.00 0.00 175.26 177.07 2fhm n GLY 48 N 0.31 -0.66 3.77 -3.83 0.00 -0.51 -3.09 105.19 101.18 2fhm n GLY 48 Ca -0.10 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 2.75 0.23 1.61 0.04 -1.26 -2.19 135.00 134.17 2fhm s PRO 49 Ca 0.00 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 2fhm s PRO 49 Cb 0.00 -1.94 0.31 0.00 0.04 0.00 0.00 34.50 32.91 2fhm s PRO 49 CO 0.00 -1.30 1.82 1.49 0.04 0.00 0.00 177.00 179.05 2fhm h GLU 50 N 0.01 0.77 -0.65 4.56 4.81 -1.96 -1.25 114.58 120.87 2fhm h GLU 50 Ca -0.47 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 2fhm h GLU 50 Cb 1.25 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 2fhm h GLU 50 CO 0.54 0.51 0.18 -0.97 -0.73 0.00 0.00 179.01 178.53 2fhm h ASN 51 N 0.79 0.97 -0.19 1.04 -0.73 -1.98 0.09 115.58 115.57 2fhm h ASN 51 Ca 0.35 -0.22 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 2fhm h ASN 51 Cb 0.23 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 2fhm h ASN 51 CO -0.20 0.94 0.06 0.00 -0.37 0.00 0.00 177.43 177.86 2fhm h ALA 52 N 1.07 0.25 -0.06 1.57 0.00 -1.70 -0.43 119.26 119.97 2fhm h ALA 52 Ca 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2fhm h ALA 52 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2fhm h ALA 52 CO -0.00 -0.12 0.02 -0.07 0.00 0.00 0.00 179.25 179.08 2fhm h LEU 53 N 0.13 0.02 -0.80 0.00 3.38 -1.07 -1.55 115.31 115.43 2fhm h LEU 53 Ca 0.06 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2fhm h LEU 53 Cb 0.24 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2fhm h LEU 53 CO -0.00 0.02 -0.26 1.56 0.09 0.00 0.00 178.44 179.85 2fhm h GLN 54 N 0.05 0.60 -0.67 1.13 1.08 -0.93 -0.62 115.11 115.75 2fhm h GLN 54 Ca 0.02 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 2fhm h GLN 54 Cb 0.01 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 2fhm h GLN 54 CO -0.03 0.81 0.38 0.77 -0.95 0.00 0.00 178.83 179.81 2fhm h SER 55 N 0.53 0.83 -0.34 1.46 0.02 -0.85 -0.25 113.55 114.95 2fhm h SER 55 Ca 0.07 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2fhm h SER 55 Cb 0.73 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2fhm h SER 55 CO 0.06 0.67 0.20 0.15 -1.14 0.00 0.00 176.83 176.77 2fhm h PHE 56 N 0.92 0.45 -0.83 3.45 3.57 -0.89 -1.24 116.94 122.36 2fhm h PHE 56 Ca 0.24 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2fhm h PHE 56 Cb 0.02 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 2fhm h PHE 56 CO -0.01 0.33 0.52 0.28 -2.23 0.00 0.00 178.31 177.20 2fhm h VAL 57 N 0.43 1.07 -0.75 1.41 2.07 -0.50 -0.81 116.25 119.19 2fhm h VAL 57 Ca 0.12 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2fhm h VAL 57 Cb 0.01 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 2fhm h VAL 57 CO -0.02 0.18 0.33 -0.33 0.02 0.00 0.00 177.57 177.75 2fhm h GLU 58 N 0.98 1.09 -0.79 1.57 4.39 -0.84 -0.03 114.58 120.94 2fhm h GLU 58 Ca 0.35 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.88 2fhm h GLU 58 Cb 0.11 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 2fhm h GLU 58 CO -0.15 0.87 0.52 0.00 -1.16 0.00 0.00 179.01 179.09 2fhm h ALA 59 N 1.17 1.44 0.45 3.43 0.00 0.04 0.56 119.26 126.35 2fhm h ALA 59 Ca 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2fhm h ALA 59 Cb 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2fhm h ALA 59 CO -0.03 0.52 -0.22 0.28 0.00 0.00 0.00 179.25 179.80 2fhm h VAL 60 N 1.06 0.34 -0.53 0.00 2.07 -0.80 -3.33 116.25 115.06 2fhm h VAL 60 Ca 0.29 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2fhm h VAL 60 Cb -0.12 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2fhm h VAL 60 CO -0.06 0.06 0.30 0.50 0.02 0.00 0.00 177.57 178.39 2fhm h LYS 61 N -1.01 0.71 0.00 1.57 3.11 -0.64 -0.97 116.57 119.35 2fhm h LYS 61 Ca -0.06 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.69 2fhm h LYS 61 Cb 0.57 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 2fhm h LYS 61 CO 0.10 0.52 -0.11 -0.97 -2.81 0.00 0.00 179.45 176.18 2fhm h ASN 62 N 0.73 0.00 -5.76 4.20 -1.24 -1.03 -3.46 115.58 109.02 2fhm h ASN 62 Ca 0.19 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.84 2fhm h ASN 62 Cb 0.00 0.00 0.15 0.00 0.73 0.00 0.00 38.32 39.20 2fhm h ASN 62 CO -0.03 0.11 -0.76 0.61 -1.29 0.00 0.00 177.43 176.06 2fhm n GLY 63 N -0.90 -0.39 0.18 1.57 0.00 -0.37 -4.95 105.19 100.33 2fhm n GLY 63 Ca -0.02 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.06 -0.00 -2.27 1.61 0.02 -1.78 -3.44 113.55 105.63 2fhm h SER 64 Ca -0.59 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.34 2fhm h SER 64 Cb 1.35 0.10 0.04 0.00 0.14 0.00 0.00 62.40 64.03 2fhm h SER 64 CO 0.52 0.03 0.07 -0.81 -1.14 0.00 0.00 176.83 175.51 2fhm n PRO 65 N -5.11 -0.65 0.17 3.45 -0.04 -1.26 -4.95 135.00 126.62 2fhm n PRO 65 Ca 0.03 -0.44 0.06 0.00 -0.04 0.00 0.00 63.50 63.12 2fhm n PRO 65 Cb 0.20 -0.32 0.56 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.35 0.17 -3.92 0.54 -5.15 -1.99 -3.42 116.94 101.81 2fhm h PHE 66 Ca -0.10 0.00 -0.52 0.00 -0.20 0.00 0.00 57.97 57.16 2fhm h PHE 66 Cb 0.27 -0.06 0.06 0.00 0.22 0.00 0.00 35.95 36.44 2fhm h PHE 66 CO 0.00 0.12 0.56 -1.12 -2.00 0.00 0.00 178.31 175.87 2fhm s SER 67 N -6.94 6.54 -0.00 -0.68 0.01 -1.26 -4.99 113.70 106.38 2fhm s SER 67 Ca -0.06 2.49 -0.25 0.00 1.31 0.00 0.00 55.95 59.44 2fhm s SER 67 Cb 0.17 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.83 2fhm s SER 67 CO 0.69 -0.68 0.57 -1.59 0.41 0.00 0.00 173.24 172.65 2fhm s LYS 68 N -2.14 1.01 0.48 12.44 0.00 -0.44 -4.46 119.74 126.63 2fhm s LYS 68 Ca 0.55 -0.01 -0.17 0.00 0.00 0.00 0.00 55.97 56.34 2fhm s LYS 68 Cb -0.35 0.47 -0.09 0.00 0.00 0.00 0.00 37.83 37.87 2fhm s LYS 68 CO 0.44 -0.34 0.94 0.14 0.00 0.00 0.00 175.35 176.54 2fhm s VAL 69 N -1.78 4.53 0.00 1.79 -7.23 -1.26 -0.79 120.40 115.66 2fhm s VAL 69 Ca -0.09 1.21 0.00 0.00 -1.81 0.00 0.00 61.98 61.29 2fhm s VAL 69 Cb -0.01 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.24 2fhm s VAL 69 CO 0.04 -0.56 0.02 0.35 -0.31 0.00 0.00 175.10 174.64 2fhm n THR 70 N -1.28 0.00 -3.76 5.32 -2.24 0.33 -4.88 114.28 107.77 2fhm n THR 70 Ca 0.06 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 2fhm n THR 70 Cb 0.54 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.87 -0.27 -0.15 3.42 2.15 -0.66 -4.99 116.67 115.30 2fhm s ASP 71 Ca 0.00 0.53 -0.10 0.00 0.43 0.00 0.00 52.55 53.41 2fhm s ASP 71 Cb 0.00 0.48 0.05 0.00 -0.30 0.00 0.00 42.92 43.15 2fhm s ASP 71 CO 0.00 -0.13 0.37 -0.51 -0.17 0.00 0.00 175.17 174.73 2fhm s ILE 72 N 0.69 -0.02 -0.04 4.11 2.07 -1.26 -1.02 121.20 125.73 2fhm s ILE 72 Ca -0.05 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 2fhm s ILE 72 Cb -0.06 -0.54 0.03 0.00 0.13 0.00 0.00 42.46 42.02 2fhm s ILE 72 CO -0.04 0.03 -0.01 -0.44 -1.91 0.00 0.00 174.94 172.57 2fhm s SER 73 N 0.94 0.82 0.05 4.50 0.01 -0.51 -5.02 113.70 114.49 2fhm s SER 73 Ca -0.06 -0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.20 2fhm s SER 73 Cb -0.07 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 2fhm s SER 73 CO -0.07 -0.11 -0.18 0.54 0.41 0.00 0.00 173.24 173.83 2fhm s VAL 74 N 1.23 1.42 0.07 3.43 0.11 -1.26 -1.45 120.40 123.96 2fhm s VAL 74 Ca -0.07 -1.13 0.01 0.00 -2.93 0.00 0.00 61.98 57.87 2fhm s VAL 74 Cb -0.13 -1.26 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 2fhm s VAL 74 CO -0.02 0.10 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.90 2fhm s THR 75 N -0.85 0.58 0.10 5.04 2.01 0.09 -5.01 115.64 117.60 2fhm s THR 75 Ca 0.05 -1.65 0.08 0.00 0.31 0.00 0.00 61.69 60.47 2fhm s THR 75 Cb -0.08 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 2fhm s THR 75 CO 0.02 -0.74 -0.20 -1.61 -0.69 0.00 0.00 174.62 171.40 2fhm s GLU 76 N -3.15 1.07 0.14 4.92 2.02 -1.26 -1.03 118.70 121.42 2fhm s GLU 76 Ca 0.04 -1.13 -0.07 0.00 0.02 0.00 0.00 54.97 53.84 2fhm s GLU 76 Cb 0.01 -1.28 -0.02 0.00 0.10 0.00 0.00 34.13 32.94 2fhm s GLU 76 CO -0.04 0.30 0.21 -1.12 0.02 0.00 0.00 175.26 174.63 2fhm s SER 77 N -1.89 0.12 0.00 -0.19 0.01 -0.05 -4.96 113.70 106.74 2fhm s SER 77 Ca 0.05 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.40 2fhm s SER 77 Cb -0.10 0.39 0.01 0.00 0.21 0.00 0.00 66.02 66.53 2fhm s SER 77 CO 0.04 -0.83 0.75 0.54 0.41 0.00 0.00 173.24 174.15 2fhm n ARG 78 N -0.16 0.87 0.18 12.44 3.00 -1.26 -1.24 116.66 130.49 2fhm n ARG 78 Ca -0.08 -1.00 0.04 0.00 -0.01 0.00 0.00 57.85 56.80 2fhm n ARG 78 Cb 0.63 -1.02 0.44 0.00 0.00 0.00 0.00 32.46 32.51 2fhm n ARG 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2fhm h SER 79 N 0.14 0.08 -3.06 0.55 0.02 -1.95 -3.48 113.55 105.85 2fhm h SER 79 Ca 0.00 -0.02 0.37 0.00 -0.84 0.00 0.00 61.79 61.31 2fhm h SER 79 Cb 0.25 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.68 2fhm h SER 79 CO 0.00 0.29 -0.51 0.18 -1.14 0.00 0.00 176.83 175.65 2fhm n LEU 80 N -4.27 -0.68 0.00 5.07 4.77 -1.26 -4.96 117.00 115.67 2fhm n LEU 80 Ca -0.02 1.49 0.00 0.00 -0.03 0.00 0.00 56.01 57.45 2fhm n LEU 80 Cb 0.28 -4.19 0.00 0.00 -2.33 0.00 0.00 43.42 37.18 2fhm n LEU 80 CO 0.37 -3.70 0.00 -1.84 -1.33 0.00 0.00 177.39 170.89 2fhm n GLU 81 N -4.05 0.00 -0.91 3.23 0.28 -1.26 -5.05 120.64 112.88 2fhm n GLU 81 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2fhm n GLU 81 Cb 0.66 -0.09 0.00 0.00 1.43 0.00 0.00 31.44 33.44 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 0.31 3.77 -1.84 0.00 -1.26 -4.97 105.19 101.20 2fhm n GLY 82 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.79 2.82 -0.05 1.61 3.76 -1.26 -4.95 115.29 115.43 2fhm s HIS 83 Ca 0.00 1.52 0.07 0.00 -0.15 0.00 0.00 55.06 56.50 2fhm s HIS 83 Cb 0.00 -3.42 0.11 0.00 1.11 0.00 0.00 32.58 30.38 2fhm s HIS 83 CO 0.00 -1.64 1.00 0.72 -0.85 0.00 0.00 174.74 173.97 2fhm n HIS 84 N -0.53 0.00 -4.04 1.40 8.25 -1.26 -4.77 115.22 114.26 2fhm n HIS 84 Ca 0.08 -0.43 -0.11 0.00 -0.26 0.00 0.00 57.72 56.99 2fhm n HIS 84 Cb 0.48 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.20 1.67 0.09 -0.41 1.70 -1.26 -5.03 118.95 114.51 2fhm s ARG 85 Ca 0.12 -1.48 -0.02 0.00 -0.47 0.00 0.00 55.73 53.88 2fhm s ARG 85 Cb 0.11 0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 34.89 2fhm s ARG 85 CO 0.01 -0.69 0.27 -0.59 -1.08 0.00 0.00 175.30 173.23 2fhm s PHE 86 N -3.61 3.50 0.04 5.89 -0.12 -1.26 -1.34 117.98 121.08 2fhm s PHE 86 Ca 0.27 0.36 -0.00 0.00 -0.05 0.00 0.00 56.93 57.51 2fhm s PHE 86 Cb 0.00 -1.85 -0.03 0.00 -0.63 0.00 0.00 43.02 40.51 2fhm s PHE 86 CO 0.13 0.53 -0.04 -1.12 -0.05 0.00 0.00 175.22 174.68 2fhm s SER 87 N -2.50 0.49 -0.02 1.98 0.01 -0.03 -4.94 113.70 108.70 2fhm s SER 87 Ca 0.37 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.83 2fhm s SER 87 Cb -0.13 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.27 2fhm s SER 87 CO 0.27 -0.47 -0.01 -0.63 0.41 0.00 0.00 173.24 172.81 2fhm s ILE 88 N -2.94 0.18 -0.01 1.44 1.01 -1.26 -1.11 121.20 118.51 2fhm s ILE 88 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.64 2fhm s ILE 88 Cb 0.01 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 42.26 2fhm s ILE 88 CO -0.06 0.10 -0.03 -0.69 0.00 0.00 0.00 174.94 174.26 2fhm s VAL 89 N 0.50 0.32 0.00 2.92 1.01 -0.10 -4.95 120.40 120.10 2fhm s VAL 89 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2fhm s VAL 89 Cb -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2fhm s VAL 89 CO -0.01 0.12 0.33 0.00 0.00 0.00 0.00 175.10 175.53 2fhm n TYR 90 N 3.28 0.00 0.00 5.22 4.11 -1.26 -1.75 117.16 126.75 2fhm n TYR 90 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 2fhm n TYR 90 Cb 0.56 0.09 0.00 0.00 -0.00 0.00 0.00 39.34 39.99 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29