#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 1.49 0.10 -0.89 2.96 -0.93 -4.87 118.68 116.55 2fhm s LEU 2 Ca 0.00 -1.66 -0.16 0.00 -0.22 0.00 0.00 54.13 52.09 2fhm s LEU 2 Cb 0.00 0.83 0.03 0.00 0.50 0.00 0.00 46.19 47.55 2fhm s LEU 2 CO 0.00 -1.12 0.38 -1.58 -1.32 0.00 0.00 176.35 172.71 2fhm s GLN 3 N -3.36 1.00 0.32 1.98 0.74 -0.44 -1.47 119.66 118.43 2fhm s GLN 3 Ca 0.38 -0.63 0.07 0.00 0.05 0.00 0.00 55.36 55.23 2fhm s GLN 3 Cb 0.02 0.44 -0.06 0.00 1.10 0.00 0.00 33.01 34.51 2fhm s GLN 3 CO 0.25 -0.37 -0.05 1.52 -0.55 0.00 0.00 175.29 176.08 2fhm s TYR 4 N -3.43 2.17 -0.03 1.67 -0.85 -0.14 -0.90 117.35 115.85 2fhm s TYR 4 Ca 0.01 -0.66 0.03 0.00 -0.52 0.00 0.00 57.07 55.93 2fhm s TYR 4 Cb 0.01 -1.30 0.00 0.00 0.38 0.00 0.00 41.96 41.06 2fhm s TYR 4 CO -0.09 0.37 -0.11 0.50 -1.52 0.00 0.00 175.55 174.71 2fhm s ARG 5 N -3.70 1.11 0.03 -3.49 3.52 -0.16 -2.90 118.95 113.35 2fhm s ARG 5 Ca 0.32 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.59 2fhm s ARG 5 Cb 0.05 -1.02 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 2fhm s ARG 5 CO 0.14 0.14 -0.10 0.42 -0.81 0.00 0.00 175.30 175.10 2fhm s ILE 6 N 0.15 0.77 -0.02 4.11 1.01 0.16 -0.77 121.20 126.61 2fhm s ILE 6 Ca -0.03 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.84 2fhm s ILE 6 Cb -0.09 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 2fhm s ILE 6 CO 0.01 -0.07 -0.13 0.27 0.00 0.00 0.00 174.94 175.02 2fhm s ILE 7 N -0.81 1.03 0.00 2.92 -0.00 -0.40 -0.86 121.20 123.08 2fhm s ILE 7 Ca -0.02 -0.54 -0.02 0.00 -0.00 0.00 0.00 60.65 60.07 2fhm s ILE 7 Cb -0.07 -0.87 -0.01 0.00 -0.00 0.00 0.00 42.46 41.51 2fhm s ILE 7 CO 0.01 0.30 0.04 0.68 -0.00 0.00 0.00 174.94 175.96 2fhm s VAL 8 N -0.19 0.06 0.10 8.37 -7.23 -0.29 -1.38 120.40 119.85 2fhm s VAL 8 Ca 0.03 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.70 2fhm s VAL 8 Cb -0.06 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.61 2fhm s VAL 8 CO -0.00 -0.29 -0.09 -0.62 -0.31 0.00 0.00 175.10 173.79 2fhm s ASP 9 N -0.89 1.37 0.00 4.85 2.15 -0.50 -1.07 116.67 122.57 2fhm s ASP 9 Ca -0.10 -0.89 0.00 0.00 0.43 0.00 0.00 52.55 52.00 2fhm s ASP 9 Cb -0.06 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.59 2fhm s ASP 9 CO -0.00 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.28 2fhm n GLY 10 N 0.31 0.36 3.54 2.66 0.00 -1.26 -0.65 105.19 110.16 2fhm n GLY 10 Ca -0.14 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 3.48 -0.00 1.61 6.06 -0.25 -4.68 118.95 123.17 2fhm s ARG 11 Ca 0.00 -0.99 0.01 0.00 -2.50 0.00 0.00 55.73 52.25 2fhm s ARG 11 Cb 0.00 -5.01 0.01 0.00 0.06 0.00 0.00 34.95 30.01 2fhm s ARG 11 CO 0.00 -2.13 0.84 1.33 -2.50 0.00 0.00 175.30 172.84 2fhm n VAL 12 N 6.58 0.69 -3.97 7.11 0.24 -1.26 -1.62 118.33 126.10 2fhm n VAL 12 Ca 0.24 -0.70 -0.09 0.00 -2.04 0.00 0.00 64.34 61.75 2fhm n VAL 12 Cb 0.50 0.64 -0.11 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.71 0.30 0.00 7.34 -1.52 -1.26 -4.21 119.66 119.59 2fhm s GLN 13 Ca 0.01 -0.57 0.00 0.00 -1.95 0.00 0.00 55.36 52.85 2fhm s GLN 13 Cb 0.01 0.11 0.00 0.00 -0.22 0.00 0.00 33.01 32.90 2fhm s GLN 13 CO 0.00 -0.05 0.00 0.41 -0.25 0.00 0.00 175.29 175.40 2fhm n GLY 14 N 1.68 -1.06 0.32 3.09 0.00 -1.26 -4.85 105.19 103.11 2fhm n GLY 14 Ca -0.23 -1.34 0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 0.49 0.00 1.61 -1.51 -2.06 -3.23 116.25 111.56 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 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 2fhm h VAL 15 CO 0.00 0.00 -0.22 0.61 -1.23 0.00 0.00 177.57 176.73 2fhm n GLY 16 N -1.36 0.07 0.20 5.19 0.00 -1.26 -4.91 105.19 103.12 2fhm n GLY 16 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2fhm n GLY 16 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2fhm h PHE 17 N 0.00 0.79 0.00 1.61 -1.00 -1.86 -0.44 116.94 116.04 2fhm h PHE 17 Ca 0.00 -0.23 -0.04 0.00 2.81 0.00 0.00 57.97 60.52 2fhm h PHE 17 Cb 1.17 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 2fhm h PHE 17 CO -0.04 0.95 -0.17 0.07 -1.61 0.00 0.00 178.31 177.51 2fhm h ARG 18 N 0.40 0.00 -0.32 1.51 0.11 -1.81 -1.59 114.38 112.68 2fhm h ARG 18 Ca 0.05 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.04 2fhm h ARG 18 Cb 0.79 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.86 2fhm h ARG 18 CO 0.06 0.17 -0.17 -0.92 0.10 0.00 0.00 179.97 179.21 2fhm h TYR 19 N 0.00 0.64 -0.30 4.08 3.20 -1.77 -3.23 116.97 119.59 2fhm h TYR 19 Ca -0.00 -0.12 0.06 0.00 3.14 0.00 0.00 58.73 61.81 2fhm h TYR 19 Cb 0.60 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 2fhm h TYR 19 CO 0.00 0.72 -0.09 0.27 -1.64 0.00 0.00 178.16 177.42 2fhm h PHE 20 N 0.53 -0.20 -0.28 -3.82 -5.15 -0.05 0.01 116.94 107.98 2fhm h PHE 20 Ca 0.09 0.03 -0.03 0.00 -0.20 0.00 0.00 57.97 57.85 2fhm h PHE 20 Cb 0.59 0.13 -0.02 0.00 0.22 0.00 0.00 35.95 36.88 2fhm h PHE 20 CO 0.02 -0.15 0.03 -0.39 -2.00 0.00 0.00 178.31 175.82 2fhm h VAL 21 N -0.02 1.15 0.00 0.88 -1.51 -1.58 -1.23 116.25 113.95 2fhm h VAL 21 Ca 0.15 -0.58 -0.08 0.00 -1.23 0.00 0.00 66.70 64.96 2fhm h VAL 21 Cb 0.25 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 2fhm h VAL 21 CO -0.32 0.20 -0.37 1.56 -1.23 0.00 0.00 177.57 177.40 2fhm h GLN 22 N 0.40 0.00 -0.20 5.19 1.08 -1.15 0.19 115.11 120.62 2fhm h GLN 22 Ca 0.09 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2fhm h GLN 22 Cb 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2fhm h GLN 22 CO 0.00 0.37 0.09 0.52 -0.95 0.00 0.00 178.83 178.87 2fhm h MET 23 N 0.00 0.30 0.00 1.46 2.86 0.04 -1.47 114.93 118.11 2fhm h MET 23 Ca -0.00 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 2fhm h MET 23 Cb 0.99 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 2fhm h MET 23 CO 0.05 0.34 -0.32 0.93 1.06 0.00 0.00 176.91 178.97 2fhm h GLU 24 N 0.18 0.00 -0.02 1.72 4.39 -0.54 -0.41 114.58 119.90 2fhm h GLU 24 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2fhm h GLU 24 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2fhm h GLU 24 CO -0.01 0.32 0.00 0.00 -1.16 0.00 0.00 179.01 178.17 2fhm h ALA 25 N 1.68 0.03 -0.91 3.43 0.00 -0.52 -2.70 119.26 120.27 2fhm h ALA 25 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2fhm h ALA 25 Cb 0.58 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2fhm h ALA 25 CO 0.04 -0.33 0.52 0.22 0.00 0.00 0.00 179.25 179.70 2fhm h ASP 26 N -0.22 1.11 0.03 0.00 3.58 -0.82 -0.45 116.42 119.65 2fhm h ASP 26 Ca 0.01 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2fhm h ASP 26 Cb 0.27 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2fhm h ASP 26 CO 0.00 0.88 0.00 0.50 -2.88 0.00 0.00 179.24 177.74 2fhm h LYS 27 N 1.26 0.00 -0.18 0.28 3.11 -1.00 -0.23 116.57 119.81 2fhm h LYS 27 Ca 0.32 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 2fhm h LYS 27 Cb -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 2fhm h LYS 27 CO -0.06 0.00 0.00 0.54 -2.81 0.00 0.00 179.45 177.12 2fhm n ARG 28 N -2.89 2.59 -3.02 1.90 5.12 -0.40 -4.99 116.66 114.97 2fhm n ARG 28 Ca -0.03 -2.30 -0.16 0.00 -1.93 0.00 0.00 57.85 53.43 2fhm n ARG 28 Cb 0.07 -1.44 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 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 -0.41 -2.76 -1.50 5.56 5.02 -0.10 -4.93 118.16 119.05 2fhm n LYS 29 Ca 0.13 0.36 -0.31 0.00 -2.02 0.00 0.00 58.31 56.48 2fhm n LYS 29 Cb 0.58 -4.98 0.08 0.00 -0.02 0.00 0.00 35.03 30.69 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2fhm s LEU 30 N -5.97 2.88 -0.03 -0.35 1.43 -0.32 -4.96 118.68 111.37 2fhm s LEU 30 Ca 0.24 1.53 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 2fhm s LEU 30 Cb -0.13 -4.26 0.01 0.00 0.03 0.00 0.00 46.19 41.83 2fhm s LEU 30 CO 0.29 -1.78 -0.06 0.00 0.23 0.00 0.00 176.35 175.03 2fhm s ALA 31 N -3.06 0.66 0.00 4.21 0.00 -1.12 -4.46 121.76 117.99 2fhm s ALA 31 Ca 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2fhm s ALA 31 Cb -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2fhm s ALA 31 CO 0.55 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.80 2fhm n GLY 32 N 3.46 -1.58 3.21 0.00 0.00 -0.69 -0.66 105.19 108.93 2fhm n GLY 32 Ca -0.19 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.71 1.08 0.11 1.61 -2.14 0.33 -0.70 118.94 116.52 2fhm s TRP 33 Ca 0.00 -0.96 0.09 0.00 2.66 0.00 0.00 56.10 57.88 2fhm s TRP 33 Cb 0.00 -0.61 -0.04 0.00 -3.10 0.00 0.00 33.47 29.72 2fhm s TRP 33 CO 0.00 -0.17 -0.22 0.54 -2.66 0.00 0.00 176.95 174.43 2fhm s VAL 34 N -3.63 1.84 0.05 -0.66 0.11 -0.52 -1.46 120.40 116.13 2fhm s VAL 34 Ca 0.19 -1.58 -0.10 0.00 -2.93 0.00 0.00 61.98 57.56 2fhm s VAL 34 Cb 0.06 -1.66 0.01 0.00 -1.53 0.00 0.00 36.38 33.25 2fhm s VAL 34 CO 0.00 -0.01 0.22 -0.75 -3.33 0.00 0.00 175.10 171.23 2fhm s LYS 35 N -1.91 0.75 -0.18 1.54 2.20 -0.05 -0.94 119.74 121.15 2fhm s LYS 35 Ca 0.08 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 2fhm s LYS 35 Cb -0.10 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2fhm s LYS 35 CO 0.05 -0.23 -0.14 1.21 -0.36 0.00 0.00 175.35 175.88 2fhm s ASN 36 N -2.26 3.66 0.66 1.43 3.84 -1.19 -1.04 114.94 120.04 2fhm s ASN 36 Ca -0.03 -0.50 -0.11 0.00 0.21 0.00 0.00 52.86 52.43 2fhm s ASN 36 Cb 0.00 -1.58 -0.01 0.00 -0.55 0.00 0.00 41.25 39.11 2fhm s ASN 36 CO -0.05 0.04 1.05 -0.13 -2.79 0.00 0.00 177.10 175.21 2fhm s ARG 37 N 1.11 3.21 0.49 0.43 0.52 0.00 -4.92 118.95 119.79 2fhm s ARG 37 Ca 0.00 0.89 0.15 0.00 -0.52 0.00 0.00 55.73 56.25 2fhm s ARG 37 Cb -0.14 -2.03 1.17 0.00 0.52 0.00 0.00 34.95 34.47 2fhm s ARG 37 CO -0.05 -0.88 2.09 0.22 0.02 0.00 0.00 175.30 176.71 2fhm h ASP 38 N -0.51 0.02 0.52 0.23 3.58 -2.00 -0.96 116.42 117.30 2fhm h ASP 38 Ca -0.44 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2fhm h ASP 38 Cb 1.20 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2fhm h ASP 38 CO 0.59 0.07 0.00 -0.90 -2.88 0.00 0.00 179.24 176.12 2fhm n ASP 39 N -4.47 0.03 0.00 2.28 5.75 -1.26 -4.89 116.55 113.98 2fhm n ASP 39 Ca -0.03 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 2fhm n ASP 39 Cb 0.14 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 2fhm n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fhm n GLY 40 N 0.02 2.60 3.93 6.12 0.00 -0.36 -5.08 105.19 112.41 2fhm n GLY 40 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2fhm n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fhm s ARG 41 N -0.37 2.78 0.19 1.61 1.70 -1.26 -4.66 118.95 118.95 2fhm s ARG 41 Ca 0.00 -0.19 -0.07 0.00 -0.47 0.00 0.00 55.73 55.00 2fhm s ARG 41 Cb 0.00 -2.32 -0.06 0.00 -0.57 0.00 0.00 34.95 32.00 2fhm s ARG 41 CO 0.00 -0.73 0.47 0.08 -1.08 0.00 0.00 175.30 174.05 2fhm s VAL 42 N -2.95 5.04 0.01 4.99 1.01 -0.23 -0.82 120.40 127.45 2fhm s VAL 42 Ca 0.54 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.82 2fhm s VAL 42 Cb -0.10 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2fhm s VAL 42 CO 0.43 -0.03 -0.09 -0.70 0.00 0.00 0.00 175.10 174.71 2fhm s GLU 43 N -2.77 0.68 0.01 2.72 2.12 -0.21 -1.14 118.70 120.11 2fhm s GLU 43 Ca 0.45 -0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.30 2fhm s GLU 43 Cb -0.12 -0.62 -0.01 0.00 0.26 0.00 0.00 34.13 33.65 2fhm s GLU 43 CO 0.23 0.16 -0.03 0.42 -0.54 0.00 0.00 175.26 175.49 2fhm s ILE 44 N -0.58 0.23 -0.13 -3.70 1.01 -0.04 -0.87 121.20 117.11 2fhm s ILE 44 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 2fhm s ILE 44 Cb -0.06 -0.24 0.06 0.00 0.01 0.00 0.00 42.46 42.23 2fhm s ILE 44 CO 0.00 -0.08 0.28 -0.22 0.00 0.00 0.00 174.94 174.93 2fhm s LEU 45 N -0.45 -0.12 0.17 2.97 0.20 -0.54 -0.66 118.68 120.24 2fhm s LEU 45 Ca -0.03 0.64 -0.16 0.00 0.69 0.00 0.00 54.13 55.27 2fhm s LEU 45 Cb -0.03 0.82 0.03 0.00 -0.43 0.00 0.00 46.19 46.58 2fhm s LEU 45 CO -0.00 -0.21 0.46 0.00 -0.29 0.00 0.00 176.35 176.30 2fhm s ALA 46 N 2.04 -0.86 0.14 5.97 0.00 -1.14 -0.51 121.76 127.39 2fhm s ALA 46 Ca -0.03 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.81 2fhm s ALA 46 Cb -0.11 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 2fhm s ALA 46 CO -0.09 -0.73 -0.12 -1.83 0.00 0.00 0.00 175.76 172.98 2fhm s GLU 47 N -3.86 1.99 0.00 0.00 -1.05 0.16 -0.97 118.70 114.98 2fhm s GLU 47 Ca 0.08 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 53.72 2fhm s GLU 47 Cb 0.00 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 2fhm s GLU 47 CO -0.06 0.47 0.00 0.41 0.95 0.00 0.00 175.26 177.03 2fhm n GLY 48 N 0.47 -0.58 3.77 -3.83 0.00 -0.54 -2.78 105.19 101.70 2fhm n GLY 48 Ca -0.13 -1.12 -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 2.86 0.24 1.61 0.04 -1.26 -2.18 135.00 134.31 2fhm s PRO 49 Ca 0.00 1.42 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 2fhm s PRO 49 Cb 0.00 -1.96 0.36 0.00 0.04 0.00 0.00 34.50 32.94 2fhm s PRO 49 CO 0.00 -1.20 1.82 1.49 0.04 0.00 0.00 177.00 179.15 2fhm h GLU 50 N 0.16 0.81 -0.72 4.56 4.81 -1.96 -1.19 114.58 121.05 2fhm h GLU 50 Ca -0.47 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 2fhm h GLU 50 Cb 1.25 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2fhm h GLU 50 CO 0.54 0.53 0.30 -0.97 -0.73 0.00 0.00 179.01 178.69 2fhm h ASN 51 N 0.83 0.98 -0.30 1.04 -1.24 -1.99 -0.03 115.58 114.87 2fhm h ASN 51 Ca 0.38 -0.16 -0.04 0.00 0.71 0.00 0.00 56.30 57.19 2fhm h ASN 51 Cb 0.28 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 2fhm h ASN 51 CO -0.22 0.88 0.04 0.00 -1.29 0.00 0.00 177.43 176.84 2fhm h ALA 52 N 1.15 0.40 -0.55 1.57 0.00 -1.67 -0.62 119.26 119.54 2fhm h ALA 52 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2fhm h ALA 52 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2fhm h ALA 52 CO -0.02 0.10 0.24 -0.07 0.00 0.00 0.00 179.25 179.50 2fhm h LEU 53 N 0.33 0.74 -0.31 0.00 3.38 -0.97 -0.40 115.31 118.08 2fhm h LEU 53 Ca 0.09 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 2fhm h LEU 53 Cb 0.35 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2fhm h LEU 53 CO 0.01 0.69 -0.42 1.56 0.09 0.00 0.00 178.44 180.37 2fhm h GLN 54 N 0.75 0.84 -1.00 1.13 1.08 -0.95 -0.93 115.11 116.02 2fhm h GLN 54 Ca 0.19 -0.48 0.01 0.00 -1.45 0.00 0.00 58.65 56.92 2fhm h GLN 54 Cb 0.17 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.59 2fhm h GLN 54 CO -0.02 1.12 0.66 0.77 -0.95 0.00 0.00 178.83 180.41 2fhm h SER 55 N 0.62 1.14 -0.23 1.46 0.02 -0.96 -1.40 113.55 114.20 2fhm h SER 55 Ca 0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2fhm h SER 55 Cb 1.02 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 2fhm h SER 55 CO 0.10 0.82 0.12 0.15 -1.14 0.00 0.00 176.83 176.88 2fhm h PHE 56 N 1.34 0.32 -0.53 3.45 3.04 -0.86 -0.88 116.94 122.83 2fhm h PHE 56 Ca 0.37 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.39 2fhm h PHE 56 Cb -0.13 -0.10 -0.07 0.00 2.56 0.00 0.00 35.95 38.21 2fhm h PHE 56 CO -0.00 0.29 0.15 0.28 -2.02 0.00 0.00 178.31 177.02 2fhm h VAL 57 N 0.25 0.76 -0.90 1.41 2.07 -0.49 0.09 116.25 119.44 2fhm h VAL 57 Ca 0.08 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2fhm h VAL 57 Cb 0.08 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 2fhm h VAL 57 CO -0.01 0.06 0.48 -0.33 0.02 0.00 0.00 177.57 177.78 2fhm h GLU 58 N 0.31 1.26 -0.64 1.57 4.39 -1.08 -1.06 114.58 119.32 2fhm h GLU 58 Ca 0.26 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2fhm h GLU 58 Cb 0.33 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2fhm h GLU 58 CO -0.30 0.93 0.23 0.00 -1.16 0.00 0.00 179.01 178.71 2fhm h ALA 59 N 1.26 0.84 -0.04 3.43 0.00 0.27 0.55 119.26 125.57 2fhm h ALA 59 Ca 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2fhm h ALA 59 Cb 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2fhm h ALA 59 CO -0.05 0.48 0.01 0.28 0.00 0.00 0.00 179.25 179.98 2fhm h VAL 60 N 0.92 1.19 -0.86 0.00 2.07 -0.76 -1.59 116.25 117.22 2fhm h VAL 60 Ca 0.21 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.20 2fhm h VAL 60 Cb 0.25 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 2fhm h VAL 60 CO -0.01 0.16 0.54 0.50 0.02 0.00 0.00 177.57 178.78 2fhm h LYS 61 N -0.16 0.99 0.00 1.57 3.64 -0.93 0.16 116.57 121.84 2fhm h LYS 61 Ca 0.01 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2fhm h LYS 61 Cb 0.25 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2fhm h LYS 61 CO 0.00 0.66 -0.05 -0.97 -2.27 0.00 0.00 179.45 176.82 2fhm h ASN 62 N 1.02 0.00 -6.01 4.20 -1.24 -0.86 -3.41 115.58 109.28 2fhm h ASN 62 Ca 0.36 0.00 -0.42 0.00 0.71 0.00 0.00 56.30 56.95 2fhm h ASN 62 Cb 0.09 0.00 0.08 0.00 0.73 0.00 0.00 38.32 39.22 2fhm h ASN 62 CO -0.15 0.05 -0.72 0.61 -1.29 0.00 0.00 177.43 175.93 2fhm n GLY 63 N 0.24 -0.51 0.34 1.57 0.00 0.04 -4.91 105.19 101.97 2fhm n GLY 63 Ca 0.01 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.43 -1.16 0.08 1.61 0.02 -1.79 -2.75 113.55 107.13 2fhm h SER 64 Ca -0.58 0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2fhm h SER 64 Cb 1.37 0.56 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2fhm h SER 64 CO 0.60 -0.31 -0.04 1.55 -1.14 0.00 0.00 176.83 177.49 2fhm h PRO 65 N -0.19 -0.10 -2.12 3.45 0.13 -1.90 -3.48 132.00 127.78 2fhm h PRO 65 Ca 0.21 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.46 2fhm h PRO 65 Cb 0.55 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 31.53 2fhm h PRO 65 CO -0.64 0.45 0.52 -0.59 -0.23 0.00 0.00 178.00 177.51 2fhm s PHE 66 N -3.42 -0.34 0.00 1.56 -0.71 -1.04 -5.18 117.98 108.85 2fhm s PHE 66 Ca -0.15 0.28 0.00 0.00 -1.04 0.00 0.00 56.93 56.02 2fhm s PHE 66 Cb 0.00 0.52 0.00 0.00 -1.21 0.00 0.00 43.02 42.33 2fhm s PHE 66 CO 0.57 -0.49 0.00 -1.13 -1.34 0.00 0.00 175.22 172.83 2fhm n SER 67 N -0.08 0.00 -3.85 1.98 3.41 -1.26 -4.86 113.62 108.97 2fhm n SER 67 Ca -0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.43 2fhm n SER 67 Cb 0.61 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 2fhm n SER 67 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2fhm s LYS 68 N -1.34 0.77 -0.03 4.33 0.00 -0.64 -4.83 119.74 118.00 2fhm s LYS 68 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 55.97 55.20 2fhm s LYS 68 Cb 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 37.83 38.14 2fhm s LYS 68 CO 0.00 -0.24 -0.19 0.08 0.00 0.00 0.00 175.35 175.01 2fhm s VAL 69 N -3.30 1.51 0.00 1.79 1.01 -1.26 -1.09 120.40 119.06 2fhm s VAL 69 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2fhm s VAL 69 Cb 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2fhm s VAL 69 CO -0.08 0.43 0.15 0.35 0.00 0.00 0.00 175.10 175.95 2fhm n THR 70 N 2.86 0.00 -3.70 3.92 -2.24 0.18 -4.94 114.28 110.36 2fhm n THR 70 Ca -0.16 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 2fhm n THR 70 Cb 0.53 1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.39 -0.56 -0.08 3.42 2.15 -1.07 -4.99 116.67 115.16 2fhm s ASP 71 Ca 0.00 0.99 -0.06 0.00 0.43 0.00 0.00 52.55 53.91 2fhm s ASP 71 Cb 0.00 0.92 0.02 0.00 -0.30 0.00 0.00 42.92 43.57 2fhm s ASP 71 CO 0.00 -0.19 0.20 -0.51 -0.17 0.00 0.00 175.17 174.50 2fhm s ILE 72 N 0.96 -0.01 0.01 4.11 2.07 -1.26 -1.41 121.20 125.66 2fhm s ILE 72 Ca -0.06 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.20 2fhm s ILE 72 Cb -0.06 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.23 2fhm s ILE 72 CO -0.08 0.01 -0.00 -0.44 -1.91 0.00 0.00 174.94 172.52 2fhm s SER 73 N 0.28 0.16 -0.00 4.50 0.01 -0.48 -5.02 113.70 113.16 2fhm s SER 73 Ca -0.01 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 2fhm s SER 73 Cb -0.03 0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.30 2fhm s SER 73 CO -0.01 -0.24 0.02 -0.69 0.41 0.00 0.00 173.24 172.73 2fhm s VAL 74 N -1.13 0.04 0.10 3.43 1.01 -1.26 -1.27 120.40 121.31 2fhm s VAL 74 Ca -0.12 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2fhm s VAL 74 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 2fhm s VAL 74 CO -0.01 -0.17 -0.14 -0.89 0.00 0.00 0.00 175.10 173.89 2fhm s THR 75 N -0.51 1.20 0.03 3.92 2.01 0.05 -5.01 115.64 117.33 2fhm s THR 75 Ca -0.06 -1.52 0.05 0.00 0.31 0.00 0.00 61.69 60.48 2fhm s THR 75 Cb -0.04 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 2fhm s THR 75 CO -0.00 -0.33 -0.15 -1.61 -0.69 0.00 0.00 174.62 171.84 2fhm s GLU 76 N -2.23 1.02 0.18 4.92 2.02 -1.26 -0.99 118.70 122.35 2fhm s GLU 76 Ca 0.03 -0.76 -0.05 0.00 0.02 0.00 0.00 54.97 54.22 2fhm s GLU 76 Cb -0.07 -1.04 -0.03 0.00 0.10 0.00 0.00 34.13 33.09 2fhm s GLU 76 CO 0.02 0.26 0.20 -1.12 0.02 0.00 0.00 175.26 174.65 2fhm s SER 77 N -1.07 0.13 0.00 -0.19 0.01 -0.07 -4.97 113.70 107.54 2fhm s SER 77 Ca 0.03 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2fhm s SER 77 Cb -0.08 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2fhm s SER 77 CO 0.01 -0.87 0.55 0.54 0.41 0.00 0.00 173.24 173.88 2fhm n ARG 78 N -0.23 -0.22 0.24 12.44 3.00 -1.26 -1.33 116.66 129.30 2fhm n ARG 78 Ca -0.03 -0.64 0.10 0.00 -0.01 0.00 0.00 57.85 57.27 2fhm n ARG 78 Cb 0.64 -0.96 0.61 0.00 0.00 0.00 0.00 32.46 32.75 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 0.00 0.00 -3.37 0.55 0.02 -1.95 -3.48 113.55 105.31 2fhm h SER 79 Ca 0.00 0.00 0.38 0.00 -0.84 0.00 0.00 61.79 61.33 2fhm h SER 79 Cb 0.14 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.56 2fhm h SER 79 CO 0.00 0.18 -0.67 0.18 -1.14 0.00 0.00 176.83 175.38 2fhm n LEU 80 N -3.77 -0.76 0.00 5.07 4.77 -1.26 -4.97 117.00 116.08 2fhm n LEU 80 Ca -0.02 1.71 0.00 0.00 -0.03 0.00 0.00 56.01 57.67 2fhm n LEU 80 Cb 0.29 -4.40 0.00 0.00 -2.33 0.00 0.00 43.42 36.98 2fhm n LEU 80 CO 0.33 -3.46 0.00 -1.84 -1.33 0.00 0.00 177.39 171.09 2fhm n GLU 81 N -4.21 3.56 -0.85 3.23 -0.00 -1.26 -5.05 120.64 116.06 2fhm n GLU 81 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 2fhm n GLU 81 Cb 0.65 -0.30 0.00 0.00 -0.00 0.00 0.00 31.44 31.79 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 0.79 3.94 -1.84 0.00 -1.26 -5.04 105.19 101.79 2fhm n GLY 82 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.06 1.52 -0.05 1.61 3.76 -1.26 -5.04 115.29 112.78 2fhm s HIS 83 Ca 0.00 0.20 0.07 0.00 -0.15 0.00 0.00 55.06 55.18 2fhm s HIS 83 Cb 0.00 -3.98 0.10 0.00 1.11 0.00 0.00 32.58 29.82 2fhm s HIS 83 CO 0.00 -2.55 0.98 -2.39 -0.85 0.00 0.00 174.74 169.93 2fhm n HIS 84 N -3.65 0.00 -3.98 1.40 1.44 -1.26 -4.87 115.22 104.30 2fhm n HIS 84 Ca 0.16 -0.42 -0.10 0.00 -2.01 0.00 0.00 57.72 55.35 2fhm n HIS 84 Cb 0.60 -0.08 -0.06 0.00 0.12 0.00 0.00 29.99 30.56 2fhm n HIS 84 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2fhm s ARG 85 N -1.16 1.34 0.35 -1.40 1.70 -1.26 -4.95 118.95 113.57 2fhm s ARG 85 Ca 0.11 -1.22 -0.13 0.00 -0.47 0.00 0.00 55.73 54.02 2fhm s ARG 85 Cb 0.10 0.42 -0.08 0.00 -0.57 0.00 0.00 34.95 34.82 2fhm s ARG 85 CO 0.01 -0.53 0.74 -0.59 -1.08 0.00 0.00 175.30 173.86 2fhm s PHE 86 N -4.00 3.41 0.10 5.89 -0.12 -1.26 -1.71 117.98 120.29 2fhm s PHE 86 Ca 0.21 1.15 -0.04 0.00 -0.05 0.00 0.00 56.93 58.19 2fhm s PHE 86 Cb 0.02 -2.50 -0.03 0.00 -0.63 0.00 0.00 43.02 39.88 2fhm s PHE 86 CO 0.04 0.03 0.10 -1.12 -0.05 0.00 0.00 175.22 174.22 2fhm s SER 87 N -2.58 0.28 -0.14 1.98 0.01 0.12 -4.92 113.70 108.44 2fhm s SER 87 Ca 0.53 -0.95 -0.02 0.00 1.31 0.00 0.00 55.95 56.82 2fhm s SER 87 Cb -0.10 0.30 0.04 0.00 0.21 0.00 0.00 66.02 66.47 2fhm s SER 87 CO 0.22 -0.72 0.01 -0.63 0.41 0.00 0.00 173.24 172.54 2fhm s ILE 88 N -3.95 0.50 0.36 1.44 1.01 -1.26 -1.44 121.20 117.87 2fhm s ILE 88 Ca 0.13 -0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.24 2fhm s ILE 88 Cb 0.06 -0.83 -0.10 0.00 0.01 0.00 0.00 42.46 41.61 2fhm s ILE 88 CO -0.05 0.02 1.29 -0.69 0.00 0.00 0.00 174.94 175.51 2fhm s VAL 89 N 1.89 2.71 0.12 2.92 1.01 -0.12 -4.95 120.40 123.99 2fhm s VAL 89 Ca 0.02 0.68 -0.18 0.00 0.00 0.00 0.00 61.98 62.49 2fhm s VAL 89 Cb -0.15 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2fhm s VAL 89 CO -0.07 0.13 1.72 0.22 0.00 0.00 0.00 175.10 177.10 2fhm h TYR 90 N 3.06 0.39 0.00 5.22 3.20 -2.00 -3.46 116.97 123.38 2fhm h TYR 90 Ca -0.49 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2fhm h TYR 90 Cb 1.23 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2fhm h TYR 90 CO 0.55 0.33 0.00 0.43 -1.64 0.00 0.00 178.16 177.82