#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1usm s ASP 2 N 0.00 5.74 0.49 3.17 2.15 -1.26 -4.95 116.67 122.01 1usm s ASP 2 Ca 0.00 -0.35 -0.24 0.00 0.43 0.00 0.00 52.55 52.39 1usm s ASP 2 Cb 0.00 -0.89 -0.07 0.00 -0.30 0.00 0.00 42.92 41.66 1usm s ASP 2 CO 0.00 -0.61 1.42 0.79 -0.17 0.00 0.00 175.17 176.60 1usm n TRP 3 N -1.74 2.60 -4.14 -5.34 7.02 -1.26 -4.88 117.44 109.71 1usm n TRP 3 Ca 0.04 0.43 -0.15 0.00 -1.02 0.00 0.00 57.50 56.80 1usm n TRP 3 Cb 0.59 -2.43 -0.13 0.00 -2.42 0.00 0.00 31.31 26.92 1usm n TRP 3 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1usm s GLU 4 N -2.62 0.55 -0.52 -0.99 0.41 -0.71 -4.95 118.70 109.87 1usm s GLU 4 Ca 0.65 -0.55 -0.23 0.00 -0.41 0.00 0.00 54.97 54.43 1usm s GLU 4 Cb -0.43 -0.44 0.04 0.00 -1.78 0.00 0.00 34.13 31.52 1usm s GLU 4 CO 0.54 0.10 0.85 -1.21 -0.49 0.00 0.00 175.26 175.06 1usm s GLU 5 N -0.98 3.30 -0.22 1.61 2.02 -1.26 -0.80 118.70 122.37 1usm s GLU 5 Ca -0.04 -0.36 0.09 0.00 0.02 0.00 0.00 54.97 54.68 1usm s GLU 5 Cb -0.07 -4.04 -0.21 0.00 0.10 0.00 0.00 34.13 29.91 1usm s GLU 5 CO 0.00 -1.36 -0.03 0.54 0.02 0.00 0.00 175.26 174.43 1usm n ARG 6 N 7.07 0.67 -3.34 1.61 1.74 -1.26 -4.89 116.66 118.25 1usm n ARG 6 Ca 0.00 0.10 -0.45 0.00 -0.77 0.00 0.00 57.85 56.73 1usm n ARG 6 Cb 0.47 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 1usm n ARG 6 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1usm s LYS 10 N -2.51 3.00 0.05 5.56 2.47 -1.26 -4.78 119.74 122.26 1usm s LYS 10 Ca -0.23 -1.38 -0.03 0.00 -1.56 0.00 0.00 55.97 52.77 1usm s LYS 10 Cb 0.08 -4.17 -0.02 0.00 -1.46 0.00 0.00 37.83 32.26 1usm s LYS 10 CO 0.71 -1.12 0.04 -0.98 0.16 0.00 0.00 175.35 174.17 1usm s ARG 11 N 1.76 0.60 -0.33 4.03 1.70 -1.26 -3.82 118.95 121.62 1usm s ARG 11 Ca 0.05 -0.95 -0.15 0.00 -0.47 0.00 0.00 55.73 54.20 1usm s ARG 11 Cb -0.25 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.34 1usm s ARG 11 CO 0.06 -0.14 0.37 -1.17 -1.08 0.00 0.00 175.30 173.34 1usm s LEU 12 N -2.47 4.38 0.05 -1.89 2.96 0.20 -4.19 118.68 117.72 1usm s LEU 12 Ca -0.00 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 1usm s LEU 12 Cb 0.02 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 1usm s LEU 12 CO -0.07 -0.32 -0.17 0.54 -1.32 0.00 0.00 176.35 175.00 1usm s VAL 13 N 2.03 1.38 -0.20 1.68 0.11 0.02 -0.56 120.40 124.86 1usm s VAL 13 Ca 0.12 -1.15 -0.21 0.00 -2.93 0.00 0.00 61.98 57.82 1usm s VAL 13 Cb -0.16 -1.23 0.06 0.00 -1.53 0.00 0.00 36.38 33.51 1usm s VAL 13 CO 0.12 0.06 0.58 -0.75 -3.33 0.00 0.00 175.10 171.78 1usm s LYS 14 N -1.27 0.72 -0.03 1.54 2.20 -0.86 -1.74 119.74 120.31 1usm s LYS 14 Ca 0.04 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1usm s LYS 14 Cb -0.09 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 1usm s LYS 14 CO 0.02 -0.11 -0.00 0.95 -0.36 0.00 0.00 175.35 175.85 1usm s THR 15 N 0.10 4.18 -0.10 3.43 -4.23 -1.26 -1.11 115.64 116.64 1usm s THR 15 Ca -0.02 -0.49 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 1usm s THR 15 Cb -0.04 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1usm s THR 15 CO 0.02 0.46 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.96 1usm s PHE 16 N -1.01 2.53 0.10 3.99 0.40 0.52 -4.89 117.98 119.61 1usm s PHE 16 Ca 0.17 -1.04 -0.11 0.00 -0.60 0.00 0.00 56.93 55.36 1usm s PHE 16 Cb -0.11 -1.69 -0.06 0.00 0.51 0.00 0.00 43.02 41.66 1usm s PHE 16 CO 0.07 -0.42 0.44 0.00 0.70 0.00 0.00 175.22 176.02 1usm s ALA 17 N 0.35 3.69 0.09 5.36 0.00 -1.26 -1.23 121.76 128.76 1usm s ALA 17 Ca -0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 1usm s ALA 17 Cb -0.18 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1usm s ALA 17 CO 0.09 0.53 0.04 -0.06 0.00 0.00 0.00 175.76 176.36 1usm s PHE 18 N -1.41 0.62 -0.60 0.00 0.40 -0.17 -4.94 117.98 111.89 1usm s PHE 18 Ca 0.34 -1.08 0.25 0.00 -0.60 0.00 0.00 56.93 55.84 1usm s PHE 18 Cb -0.14 -0.38 0.85 0.00 0.51 0.00 0.00 43.02 43.86 1usm s PHE 18 CO 0.18 -0.47 1.76 -1.00 0.70 0.00 0.00 175.22 176.39 1usm h PRO 19 N 2.97 0.00 0.00 0.24 0.13 -1.98 -3.39 132.00 129.98 1usm h PRO 19 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1usm h PRO 19 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1usm h PRO 19 CO 0.61 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.65 1usm n ASN 20 N -2.36 0.00 0.02 1.44 0.23 -1.26 -4.79 115.26 108.54 1usm n ASN 20 Ca 0.04 -0.41 -0.22 0.00 -0.53 0.00 0.00 54.58 53.47 1usm n ASN 20 Cb 0.37 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.93 1usm n ASN 20 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1usm h PHE 21 N 0.41 0.48 -0.41 -2.53 3.57 -1.90 -0.75 116.94 115.81 1usm h PHE 21 Ca 0.00 -0.35 0.08 0.00 3.53 0.00 0.00 57.97 61.23 1usm h PHE 21 Cb 0.00 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.64 1usm h PHE 21 CO 0.00 1.56 -0.15 -0.09 -2.23 0.00 0.00 178.31 177.40 1usm h ARG 22 N -0.26 -0.06 -0.13 1.11 9.65 -1.97 0.12 114.38 122.83 1usm h ARG 22 Ca -0.30 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.50 1usm h ARG 22 Cb 1.80 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.38 1usm h ARG 22 CO 0.08 -0.04 -0.28 0.93 2.80 0.00 0.00 179.97 183.45 1usm h GLU 23 N -0.07 0.24 -0.29 0.20 5.08 -1.99 -0.50 114.58 117.25 1usm h GLU 23 Ca 0.20 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1usm h GLU 23 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1usm h GLU 23 CO -0.46 0.51 0.02 0.00 -1.00 0.00 0.00 179.01 178.08 1usm h ALA 24 N 1.50 0.39 -0.71 3.43 0.00 -1.38 -1.76 119.26 120.72 1usm h ALA 24 Ca 0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1usm h ALA 24 Cb 0.62 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1usm h ALA 24 CO 0.04 0.11 0.20 1.25 0.00 0.00 0.00 179.25 180.85 1usm h LEU 25 N 0.30 1.05 -0.56 0.00 5.85 -0.71 -1.16 115.31 120.08 1usm h LEU 25 Ca 0.08 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1usm h LEU 25 Cb 0.39 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1usm h LEU 25 CO 0.01 0.99 0.34 0.44 -0.34 0.00 0.00 178.44 179.88 1usm h ASP 26 N 1.06 0.54 -0.55 1.25 3.32 -0.87 -1.34 116.42 119.83 1usm h ASP 26 Ca 0.23 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 1usm h ASP 26 Cb 0.34 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1usm h ASP 26 CO -0.00 0.38 0.07 0.15 -1.72 0.00 0.00 179.24 178.12 1usm h PHE 27 N 0.66 0.99 -0.90 4.55 3.57 -0.98 -2.63 116.94 122.20 1usm h PHE 27 Ca 0.23 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1usm h PHE 27 Cb 0.03 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 1usm h PHE 27 CO -0.06 0.88 0.59 0.00 -2.23 0.00 0.00 178.31 177.48 1usm h ALA 28 N 0.99 1.47 -0.27 2.41 0.00 -0.70 -1.17 119.26 121.99 1usm h ALA 28 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1usm h ALA 28 Cb 0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1usm h ALA 28 CO 0.01 0.42 -0.17 -0.91 0.00 0.00 0.00 179.25 178.60 1usm h ASN 29 N 1.07 0.46 -0.24 0.00 2.35 -0.92 -0.04 115.58 118.27 1usm h ASN 29 Ca 0.37 -0.13 -0.15 0.00 -0.55 0.00 0.00 56.30 55.84 1usm h ASN 29 Cb 0.10 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1usm h ASN 29 CO -0.12 0.65 -0.38 0.03 -1.65 0.00 0.00 177.43 175.96 1usm h ARG 30 N 0.43 0.78 -0.40 0.81 3.08 -0.94 -1.41 114.38 116.74 1usm h ARG 30 Ca 0.08 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 1usm h ARG 30 Cb 0.55 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1usm h ARG 30 CO 0.04 1.02 -0.10 0.28 -1.07 0.00 0.00 179.97 180.13 1usm h VAL 31 N 0.64 1.25 -0.73 2.04 2.07 -0.86 -1.93 116.25 118.72 1usm h VAL 31 Ca 0.06 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1usm h VAL 31 Cb 0.93 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1usm h VAL 31 CO 0.09 0.38 0.26 1.23 0.02 0.00 0.00 177.57 179.55 1usm h GLY 32 N 0.97 1.20 1.08 2.17 0.00 -0.64 -0.49 103.07 107.36 1usm h GLY 32 Ca 0.11 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1usm h GLY 32 CO 0.03 0.64 0.13 0.00 0.00 0.00 0.00 176.54 177.35 1usm h ALA 33 N 1.13 0.92 -0.40 3.60 0.00 -0.95 -1.53 119.26 122.03 1usm h ALA 33 Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1usm h ALA 33 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1usm h ALA 33 CO -0.01 0.67 0.23 1.25 0.00 0.00 0.00 179.25 181.39 1usm h LEU 34 N 1.06 0.49 -0.87 0.00 5.85 -1.02 -2.03 115.31 118.80 1usm h LEU 34 Ca 0.21 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1usm h LEU 34 Cb 0.42 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1usm h LEU 34 CO 0.01 0.42 0.56 0.00 -0.34 0.00 0.00 178.44 179.10 1usm h ALA 35 N 1.09 1.15 -0.76 1.25 0.00 -0.73 -1.58 119.26 119.67 1usm h ALA 35 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1usm h ALA 35 Cb 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1usm h ALA 35 CO -0.02 0.41 0.25 0.93 0.00 0.00 0.00 179.25 180.82 1usm h GLU 36 N 1.10 1.18 -0.43 0.00 4.39 -0.94 -0.52 114.58 119.36 1usm h GLU 36 Ca 0.35 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 1usm h GLU 36 Cb -0.00 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1usm h GLU 36 CO -0.11 0.99 -0.23 0.00 -1.16 0.00 0.00 179.01 178.49 1usm h ARG 37 N 1.13 0.88 -0.02 2.33 3.08 -0.77 -3.18 114.38 117.83 1usm h ARG 37 Ca 0.25 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1usm h ARG 37 Cb 0.29 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1usm h ARG 37 CO -0.01 1.02 -0.02 0.39 -1.07 0.00 0.00 179.97 180.28 1usm n GLU 38 N -4.10 1.81 -3.13 0.04 -0.58 -0.65 -4.96 120.64 109.07 1usm n GLU 38 Ca -0.00 -1.22 -0.23 0.00 -0.42 0.00 0.00 57.16 55.30 1usm n GLU 38 Cb 0.45 -1.47 0.03 0.00 -0.57 0.00 0.00 31.44 29.88 1usm n GLU 38 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1usm n ASN 39 N 0.47 -5.58 -3.68 1.62 3.02 -0.24 -4.97 115.26 105.89 1usm n ASN 39 Ca 0.17 -0.32 -0.14 0.00 -0.03 0.00 0.00 54.58 54.25 1usm n ASN 39 Cb 0.42 -4.52 -0.14 0.00 -0.61 0.00 0.00 39.78 34.93 1usm n ASN 39 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1usm s HIS 40 N -3.13 -0.29 -0.03 3.10 2.46 -0.98 -5.06 115.29 111.36 1usm s HIS 40 Ca 0.34 0.76 0.02 0.00 0.47 0.00 0.00 55.06 56.66 1usm s HIS 40 Cb -0.16 -0.11 -0.03 0.00 -0.13 0.00 0.00 32.58 32.15 1usm s HIS 40 CO 0.42 -0.29 -0.06 -1.01 -2.47 0.00 0.00 174.74 171.33 1usm s HIS 41 N 2.06 2.92 0.72 3.88 3.76 -1.26 -4.40 115.29 122.97 1usm s HIS 41 Ca -0.01 -0.00 0.01 0.00 -0.15 0.00 0.00 55.06 54.91 1usm s HIS 41 Cb -0.12 -1.65 0.14 0.00 1.11 0.00 0.00 32.58 32.05 1usm s HIS 41 CO -0.07 0.36 0.99 -1.25 -0.85 0.00 0.00 174.74 173.92 1usm s PRO 42 N -1.18 1.66 -0.23 8.40 0.04 -1.26 -4.79 135.00 137.64 1usm s PRO 42 Ca 0.15 -1.32 -0.05 0.00 0.04 0.00 0.00 61.00 59.83 1usm s PRO 42 Cb -0.11 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 1usm s PRO 42 CO 0.05 -1.45 -0.01 0.50 0.04 0.00 0.00 177.00 176.14 1usm s ARG 43 N -5.10 3.48 -0.12 4.56 3.52 -0.44 -4.96 118.95 119.90 1usm s ARG 43 Ca 0.67 -0.57 -0.02 0.00 -0.13 0.00 0.00 55.73 55.68 1usm s ARG 43 Cb -0.04 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1usm s ARG 43 CO 0.44 -0.17 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.20 1usm s LEU 44 N 1.46 3.22 -0.21 -0.88 1.43 -1.26 -1.57 118.68 120.87 1usm s LEU 44 Ca 0.05 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1usm s LEU 44 Cb -0.15 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1usm s LEU 44 CO -0.01 0.26 -0.16 -0.89 0.23 0.00 0.00 176.35 175.78 1usm s THR 45 N -0.16 2.12 -0.15 5.49 2.01 -0.30 -4.97 115.64 119.69 1usm s THR 45 Ca 0.03 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 60.80 1usm s THR 45 Cb -0.13 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1usm s THR 45 CO 0.03 0.31 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.49 1usm s VAL 46 N 1.22 3.44 0.29 3.82 1.01 -1.26 -0.72 120.40 128.19 1usm s VAL 46 Ca -0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 1usm s VAL 46 Cb -0.16 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1usm s VAL 46 CO -0.10 0.50 0.46 -1.83 0.00 0.00 0.00 175.10 174.14 1usm s GLU 47 N 0.43 1.68 -0.05 2.72 -1.05 -0.63 -5.04 118.70 116.76 1usm s GLU 47 Ca -0.07 -1.49 -0.35 0.00 -0.15 0.00 0.00 54.97 52.92 1usm s GLU 47 Cb -0.15 0.45 -0.13 0.00 -0.44 0.00 0.00 34.13 33.86 1usm s GLU 47 CO 0.04 -0.69 1.78 1.87 0.95 0.00 0.00 175.26 179.21 1usm n TRP 48 N -0.45 2.25 -0.97 4.83 -0.00 -1.26 -1.94 117.44 119.90 1usm n TRP 48 Ca -0.01 0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 1usm n TRP 48 Cb 0.62 -2.60 0.00 0.00 -0.00 0.00 0.00 31.31 29.33 1usm n TRP 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1usm n GLY 49 N 4.11 0.33 3.58 5.87 0.00 -0.29 -4.89 105.19 113.89 1usm n GLY 49 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 1usm n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1usm s ARG 50 N -0.79 0.92 -0.09 1.61 3.52 -0.82 -1.00 118.95 122.30 1usm s ARG 50 Ca 0.00 0.68 0.01 0.00 -0.13 0.00 0.00 55.73 56.29 1usm s ARG 50 Cb 0.00 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.85 1usm s ARG 50 CO 0.00 -0.19 -0.13 0.08 -0.81 0.00 0.00 175.30 174.25 1usm s VAL 51 N -0.28 1.28 -0.17 7.11 1.01 -0.36 -1.61 120.40 127.37 1usm s VAL 51 Ca -0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1usm s VAL 51 Cb -0.03 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1usm s VAL 51 CO 0.05 0.40 0.03 -0.89 0.00 0.00 0.00 175.10 174.69 1usm s THR 52 N 1.01 4.55 -0.14 3.92 2.01 0.10 -0.36 115.64 126.73 1usm s THR 52 Ca -0.07 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1usm s THR 52 Cb -0.15 -3.03 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 1usm s THR 52 CO -0.01 0.47 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.54 1usm s VAL 53 N 0.32 2.61 -0.09 3.82 1.01 -0.27 -1.15 120.40 126.65 1usm s VAL 53 Ca 0.01 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1usm s VAL 53 Cb -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1usm s VAL 53 CO 0.01 0.52 -0.18 -1.61 0.00 0.00 0.00 175.10 173.84 1usm s GLU 54 N 0.67 2.42 -0.09 2.72 2.02 -0.61 -2.03 118.70 123.80 1usm s GLU 54 Ca -0.08 -0.66 0.04 0.00 0.02 0.00 0.00 54.97 54.29 1usm s GLU 54 Cb -0.16 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1usm s GLU 54 CO 0.02 0.08 -0.22 -1.58 0.02 0.00 0.00 175.26 173.58 1usm s TRP 55 N 0.57 2.40 0.20 1.61 0.52 0.27 -1.32 118.94 123.19 1usm s TRP 55 Ca -0.15 -0.97 -0.22 0.00 0.02 0.00 0.00 56.10 54.77 1usm s TRP 55 Cb -0.17 -1.62 0.05 0.00 -1.15 0.00 0.00 33.47 30.59 1usm s TRP 55 CO 0.05 -0.40 0.68 1.67 0.02 0.00 0.00 176.95 178.97 1usm s TRP 56 N 0.38 -0.37 -0.31 -1.98 -2.14 -1.26 -0.63 118.94 112.64 1usm s TRP 56 Ca -0.18 0.05 -0.03 0.00 2.66 0.00 0.00 56.10 58.60 1usm s TRP 56 Cb -0.18 0.63 0.04 0.00 -3.10 0.00 0.00 33.47 30.86 1usm s TRP 56 CO 0.08 -1.00 0.02 0.99 -2.66 0.00 0.00 176.95 174.39 1usm s THR 57 N -3.78 3.22 0.16 0.66 2.01 -0.11 -4.97 115.64 112.83 1usm s THR 57 Ca 0.06 -1.26 -0.22 0.00 0.31 0.00 0.00 61.69 60.57 1usm s THR 57 Cb -0.03 -2.82 0.05 0.00 0.01 0.00 0.00 72.50 69.70 1usm s THR 57 CO -0.04 -0.09 1.62 -0.74 -0.69 0.00 0.00 174.62 174.68 1usm h HIS 58 N 8.07 -0.66 -0.66 4.92 2.76 -1.97 -1.27 115.15 126.33 1usm h HIS 58 Ca -0.23 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.08 1usm h HIS 58 Cb 1.07 0.33 -0.04 0.00 1.55 0.00 0.00 27.41 30.33 1usm h HIS 58 CO 0.61 -0.32 0.44 0.66 -1.30 0.00 0.00 177.93 178.01 1usm h SER 59 N -0.23 0.49 0.93 3.26 4.64 -1.95 -0.91 113.55 119.77 1usm h SER 59 Ca 0.15 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1usm h SER 59 Cb 0.47 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1usm h SER 59 CO -0.43 0.30 -0.42 0.00 -0.87 0.00 0.00 176.83 175.41 1usm n ALA 60 N -2.49 2.86 -2.48 5.18 0.00 -0.89 -4.95 120.51 117.75 1usm n ALA 60 Ca 0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 1usm n ALA 60 Cb 0.33 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1usm n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1usm n GLY 61 N 1.38 -0.24 0.00 0.00 0.00 -0.35 -4.89 105.19 101.09 1usm n GLY 61 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1usm n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1usm n GLY 62 N -1.12 -0.55 3.72 -0.02 0.00 -1.13 -4.53 105.19 101.55 1usm n GLY 62 Ca -0.15 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 1usm n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1usm s VAL 63 N -3.03 5.14 0.48 1.61 1.01 -1.25 -0.93 120.40 123.44 1usm s VAL 63 Ca 0.00 1.11 0.02 0.00 0.00 0.00 0.00 61.98 63.11 1usm s VAL 63 Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1usm s VAL 63 CO 0.00 0.30 0.02 0.42 0.00 0.00 0.00 175.10 175.84 1usm s THR 64 N 0.68 1.15 0.35 3.92 -4.23 -1.26 -4.99 115.64 111.26 1usm s THR 64 Ca 0.30 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.84 1usm s THR 64 Cb -0.16 -2.27 0.28 0.00 1.34 0.00 0.00 72.50 71.69 1usm s THR 64 CO 0.13 0.00 1.98 -0.08 -0.54 0.00 0.00 174.62 176.11 1usm h GLU 65 N 1.46 0.83 -0.81 3.99 4.57 -2.00 -1.42 114.58 121.20 1usm h GLU 65 Ca -0.43 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 1usm h GLU 65 Cb 1.30 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 1usm h GLU 65 CO 0.72 0.55 0.42 -0.22 -1.18 0.00 0.00 179.01 179.30 1usm h LYS 66 N 0.85 1.15 -0.68 1.92 1.63 -1.99 -0.82 116.57 118.63 1usm h LYS 66 Ca 0.28 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1usm h LYS 66 Cb 0.07 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 1usm h LYS 66 CO -0.08 0.86 0.23 -0.44 -3.45 0.00 0.00 179.45 176.56 1usm h ASP 67 N 1.15 0.98 -0.19 4.20 3.32 -1.65 -0.55 116.42 123.67 1usm h ASP 67 Ca 0.28 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1usm h ASP 67 Cb 0.07 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1usm h ASP 67 CO -0.04 0.92 -0.15 0.03 -1.72 0.00 0.00 179.24 178.28 1usm h ARG 68 N 0.99 0.59 -0.36 3.56 3.08 -0.99 -0.75 114.38 120.50 1usm h ARG 68 Ca 0.22 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1usm h ARG 68 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1usm h ARG 68 CO -0.01 0.73 0.09 1.49 -1.07 0.00 0.00 179.97 181.19 1usm h GLU 69 N 0.54 0.57 -0.57 0.04 4.81 -0.73 -1.79 114.58 117.45 1usm h GLU 69 Ca 0.09 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1usm h GLU 69 Cb 0.57 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1usm h GLU 69 CO 0.04 0.62 0.22 0.52 -0.73 0.00 0.00 179.01 179.68 1usm h MET 70 N 0.43 0.83 -0.43 1.92 2.86 -0.74 -0.76 114.93 119.04 1usm h MET 70 Ca 0.11 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1usm h MET 70 Cb 0.31 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1usm h MET 70 CO 0.00 0.68 0.17 0.00 1.06 0.00 0.00 176.91 178.83 1usm h ALA 71 N 1.43 0.56 -0.59 6.32 0.00 -0.86 0.21 119.26 126.32 1usm h ALA 71 Ca 0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1usm h ALA 71 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1usm h ALA 71 CO -0.02 0.16 0.01 0.00 0.00 0.00 0.00 179.25 179.41 1usm h ARG 72 N 0.55 1.02 -0.02 0.00 3.08 -0.88 -1.78 114.38 116.35 1usm h ARG 72 Ca 0.14 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 1usm h ARG 72 Cb 0.19 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1usm h ARG 72 CO -0.01 0.99 -0.43 -0.07 -1.07 0.00 0.00 179.97 179.38 1usm h LEU 73 N 0.94 0.04 -0.18 3.04 3.38 -0.93 -1.55 115.31 120.05 1usm h LEU 73 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1usm h LEU 73 Cb 0.53 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1usm h LEU 73 CO 0.03 0.47 -0.02 0.74 0.09 0.00 0.00 178.44 179.74 1usm h THR 74 N 0.03 1.27 -0.53 0.22 2.02 -0.50 -2.91 112.91 112.51 1usm h THR 74 Ca -0.00 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1usm h THR 74 Cb 0.77 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1usm h THR 74 CO 0.06 0.28 0.20 0.44 0.37 0.00 0.00 175.52 176.86 1usm h ASP 75 N 0.05 0.70 -0.08 4.18 3.32 -1.11 -2.19 116.42 121.29 1usm h ASP 75 Ca 0.05 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.03 1usm h ASP 75 Cb 0.43 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1usm h ASP 75 CO 0.01 0.64 0.06 0.00 -1.72 0.00 0.00 179.24 178.24 1usm h ALA 76 N 1.46 1.96 -0.02 3.45 0.00 -1.10 -1.22 119.26 123.78 1usm h ALA 76 Ca 0.18 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1usm h ALA 76 Cb 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1usm h ALA 76 CO -0.01 -0.10 0.02 -0.07 0.00 0.00 0.00 179.25 179.09 1usm h LEU 77 N 0.00 0.00 -0.43 0.00 3.38 -1.24 -1.06 115.31 115.96 1usm h LEU 77 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1usm h LEU 77 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1usm h LEU 77 CO -0.00 0.00 -0.23 -0.07 0.09 0.00 0.00 178.44 178.23 1usm h LEU 78 N 0.00 0.00 -3.78 1.67 3.38 -1.36 -3.48 115.31 111.75 1usm h LEU 78 Ca 0.01 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.43 1usm h LEU 78 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1usm h LEU 78 CO -0.00 0.23 -1.00 0.00 0.09 0.00 0.00 178.44 177.76 1usm n GLN 79 N -3.22 -0.61 0.00 1.13 3.00 -0.40 -5.19 117.38 112.09 1usm n GLN 79 Ca 0.02 0.26 0.11 0.00 -0.01 0.00 0.00 57.00 57.38 1usm n GLN 79 Cb 0.55 -2.76 0.66 0.00 0.00 0.00 0.00 30.24 28.69 1usm n GLN 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60