#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7m s ALA 2 N 0.00 3.91 -0.39 3.04 0.00 -1.26 -2.84 121.76 124.22 1c7m s ALA 2 Ca 0.00 -3.73 -0.01 0.00 0.00 0.00 0.00 51.96 48.22 1c7m s ALA 2 Cb 0.00 -2.47 0.11 0.00 0.00 0.00 0.00 23.12 20.75 1c7m s ALA 2 CO 0.00 -2.11 0.16 -0.51 0.00 0.00 0.00 175.76 173.30 1c7m s ASP 3 N -0.61 5.13 0.27 0.00 1.11 -1.26 -4.99 116.67 116.32 1c7m s ASP 3 Ca 0.24 -2.05 0.11 0.00 0.18 0.00 0.00 52.55 51.03 1c7m s ASP 3 Cb -0.09 -1.78 0.35 0.00 1.07 0.00 0.00 42.92 42.47 1c7m s ASP 3 CO -0.12 -0.50 1.61 1.55 1.18 0.00 0.00 175.17 178.89 1c7m h PRO 4 N 7.94 0.00 -0.51 8.23 0.13 -1.85 -1.97 132.00 143.97 1c7m h PRO 4 Ca -0.11 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 1c7m h PRO 4 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1c7m h PRO 4 CO 0.65 0.62 0.09 0.00 -0.23 0.00 0.00 178.00 179.14 1c7m h ALA 5 N 1.38 0.68 -0.77 -0.56 0.00 -1.95 -2.39 119.26 115.65 1c7m h ALA 5 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1c7m h ALA 5 Cb 1.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1c7m h ALA 5 CO 0.08 0.40 0.36 0.00 0.00 0.00 0.00 179.25 180.09 1c7m h ALA 6 N 0.98 1.18 0.00 0.00 0.00 -1.91 -3.07 119.26 116.44 1c7m h ALA 6 Ca 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c7m h ALA 6 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1c7m h ALA 6 CO 0.01 0.62 -0.01 0.78 0.00 0.00 0.00 179.25 180.65 1c7m h GLY 7 N 1.14 0.00 1.04 0.00 0.00 -1.27 -2.43 103.07 101.55 1c7m h GLY 7 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 1c7m h GLY 7 CO -0.03 0.00 -0.05 -2.09 0.00 0.00 0.00 176.54 174.37 1c7m h GLU 8 N 0.00 0.94 -0.10 4.80 4.22 -1.32 0.00 114.58 123.12 1c7m h GLU 8 Ca -0.00 -0.32 -0.14 0.00 0.08 0.00 0.00 59.36 58.97 1c7m h GLU 8 Cb 0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1c7m h GLU 8 CO 0.00 0.98 -0.57 1.57 -2.18 0.00 0.00 179.01 178.82 1c7m h LYS 9 N 0.80 0.30 -0.52 1.92 2.10 -1.59 -2.81 116.57 116.77 1c7m h LYS 9 Ca 0.14 -0.19 -0.07 0.00 -2.00 0.00 0.00 60.65 58.53 1c7m h LYS 9 Cb 0.59 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 1c7m h LYS 9 CO 0.04 0.79 0.07 0.28 -2.00 0.00 0.00 179.45 178.62 1c7m h VAL 10 N 0.23 1.25 -0.13 0.07 2.07 -1.47 -2.94 116.25 115.33 1c7m h VAL 10 Ca 0.00 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.59 1c7m h VAL 10 Cb 1.06 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1c7m h VAL 10 CO 0.09 0.35 0.19 0.15 0.02 0.00 0.00 177.57 178.37 1c7m h PHE 11 N 0.76 0.00 -0.73 1.57 3.57 -1.03 -3.03 116.94 118.05 1c7m h PHE 11 Ca 0.16 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.83 1c7m h PHE 11 Cb 0.42 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1c7m h PHE 11 CO 0.03 0.00 0.50 0.78 -2.23 0.00 0.00 178.31 177.39 1c7m h GLY 12 N 0.00 0.42 1.41 2.40 0.00 -1.30 0.15 103.07 106.16 1c7m h GLY 12 Ca 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1c7m h GLY 12 CO -0.00 0.02 0.07 0.50 0.00 0.00 0.00 176.54 177.14 1c7m h LYS 13 N 0.23 0.73 -0.11 4.80 6.56 -1.70 -3.24 116.57 123.85 1c7m h LYS 13 Ca 0.36 -0.16 -0.17 0.00 -1.06 0.00 0.00 60.65 59.63 1c7m h LYS 13 Cb 1.07 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.62 1c7m h LYS 13 CO -0.08 0.70 -0.64 0.00 -2.06 0.00 0.00 179.45 177.37 1c7m h LYS 15 N 0.30 0.00 -0.23 0.00 1.57 -1.05 0.18 116.57 117.34 1c7m h LYS 15 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1c7m h LYS 15 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1c7m h LYS 15 CO 0.11 0.00 0.15 0.00 -0.57 0.00 0.00 179.45 179.14 1c7m h ALA 16 N 1.67 1.84 0.00 3.86 0.00 -1.78 -3.34 119.26 121.51 1c7m h ALA 16 Ca 0.30 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.83 1c7m h ALA 16 Cb 1.22 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1c7m h ALA 16 CO -0.00 0.15 -2.39 0.00 0.00 0.00 0.00 179.25 177.01 1c7m s HIS 18 N -2.49 2.82 -0.24 0.00 3.76 -0.07 -0.77 115.29 118.31 1c7m s HIS 18 Ca -0.32 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.03 1c7m s HIS 18 Cb 0.08 -1.78 -0.14 0.00 1.11 0.00 0.00 32.58 31.86 1c7m s HIS 18 CO 0.57 -0.01 -0.16 1.63 -0.85 0.00 0.00 174.74 175.92 1c7m n LYS 19 N 3.03 0.57 0.00 1.40 4.76 -1.17 -4.13 118.16 122.62 1c7m n LYS 19 Ca -0.18 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 1c7m n LYS 19 Cb 0.53 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1c7m n LYS 19 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c7m n LEU 20 N -4.35 0.00 -3.51 -0.35 4.77 -1.26 -4.94 117.00 107.36 1c7m n LEU 20 Ca -0.42 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.16 1c7m n LEU 20 Cb 0.76 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 1c7m n LEU 20 CO 0.10 0.00 2.62 0.47 -1.33 0.00 0.00 177.39 179.25 1c7m n ASP 21 N 2.25 7.51 0.00 -1.43 8.00 -1.26 -4.51 116.55 127.11 1c7m n ASP 21 Ca 0.00 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.53 1c7m n ASP 21 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c7m n GLY 22 N 2.52 1.23 3.90 0.44 0.00 -1.26 -4.94 105.19 107.09 1c7m n GLY 22 Ca 0.63 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.37 1c7m n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c7m s ASN 23 N 0.00 6.21 0.00 1.61 2.20 -1.26 -4.96 114.94 118.75 1c7m s ASN 23 Ca 0.00 0.99 0.00 0.00 -0.94 0.00 0.00 52.86 52.91 1c7m s ASN 23 Cb 0.00 -2.24 0.00 0.00 -2.00 0.00 0.00 41.25 37.01 1c7m s ASN 23 CO 0.00 -0.66 0.00 0.47 -2.94 0.00 0.00 177.10 173.97 1c7m n ASP 24 N -2.36 0.00 0.00 3.54 9.92 -1.26 -4.25 116.55 122.14 1c7m n ASP 24 Ca 0.02 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1c7m n ASP 24 Cb 0.55 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1c7m n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c7m n GLY 25 N 2.13 0.13 0.09 0.44 0.00 -1.26 -3.05 105.19 103.67 1c7m n GLY 25 Ca 0.00 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 1c7m n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1c7m h VAL 26 N 0.00 0.68 -4.12 1.61 2.07 -1.21 -3.48 116.25 111.79 1c7m h VAL 26 Ca 0.00 -1.76 -0.41 0.00 0.82 0.00 0.00 66.70 65.36 1c7m h VAL 26 Cb 0.00 1.53 0.14 0.00 -1.52 0.00 0.00 31.29 31.44 1c7m h VAL 26 CO 0.00 0.23 0.32 0.61 0.02 0.00 0.00 177.57 178.75 1c7m n GLY 27 N 1.53 -0.95 3.65 2.17 0.00 -0.83 -5.04 105.19 105.73 1c7m n GLY 27 Ca -0.20 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 1c7m n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c7m s PRO 28 N -5.50 0.28 0.01 1.61 0.04 -1.26 -4.70 135.00 125.49 1c7m s PRO 28 Ca 0.68 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 1c7m s PRO 28 Cb -0.02 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.75 1c7m s PRO 28 CO 0.47 -2.85 1.45 -3.38 0.04 0.00 0.00 177.00 172.72 1c7m s HIS 29 N -2.88 2.77 -0.37 0.56 -3.43 -1.26 -4.24 115.29 106.44 1c7m s HIS 29 Ca 0.66 0.72 0.05 0.00 -0.80 0.00 0.00 55.06 55.69 1c7m s HIS 29 Cb -0.20 -3.72 0.46 0.00 -1.43 0.00 0.00 32.58 27.69 1c7m s HIS 29 CO 0.59 -2.71 1.47 1.28 -2.00 0.00 0.00 174.74 173.36 1c7m n LEU 30 N 5.43 4.85 -4.55 5.38 4.77 -1.26 -4.86 117.00 126.75 1c7m n LEU 30 Ca 0.14 -2.53 -0.31 0.00 -0.03 0.00 0.00 56.01 53.28 1c7m n LEU 30 Cb 0.43 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1c7m n LEU 30 CO 0.59 0.71 1.55 0.54 -1.33 0.00 0.00 177.39 179.46 1c7m s ASN 31 N -0.46 4.87 -0.37 -1.43 2.20 -1.26 -2.13 114.94 116.36 1c7m s ASN 31 Ca 0.35 0.14 -0.02 0.00 -0.94 0.00 0.00 52.86 52.40 1c7m s ASN 31 Cb 0.29 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 37.00 1c7m s ASN 31 CO 0.08 -2.80 0.32 0.61 -2.94 0.00 0.00 177.10 172.37 1c7m n GLY 32 N 6.25 0.46 0.22 0.45 0.00 -1.26 -5.00 105.19 106.32 1c7m n GLY 32 Ca 0.33 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1c7m n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c7m h VAL 33 N -0.70 0.67 -2.81 1.61 3.04 -1.67 -3.40 116.25 113.00 1c7m h VAL 33 Ca -0.16 -1.09 -0.56 0.00 -1.01 0.00 0.00 66.70 63.88 1c7m h VAL 33 Cb 1.10 1.70 -0.04 0.00 -2.01 0.00 0.00 31.29 32.04 1c7m h VAL 33 CO 0.15 0.24 1.18 -0.69 -1.01 0.00 0.00 177.57 177.45 1c7m s VAL 34 N -3.79 3.66 0.00 1.51 1.01 -1.26 -2.05 120.40 119.48 1c7m s VAL 34 Ca -0.01 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1c7m s VAL 34 Cb 0.11 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1c7m s VAL 34 CO 0.64 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1c7m n GLY 35 N 5.31 0.74 3.14 4.51 0.00 0.37 -4.97 105.19 114.29 1c7m n GLY 35 Ca 0.18 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 1c7m n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c7m s ARG 36 N -3.43 0.74 0.66 1.61 3.52 -0.87 -4.85 118.95 116.34 1c7m s ARG 36 Ca 0.00 -0.92 -0.17 0.00 -0.13 0.00 0.00 55.73 54.51 1c7m s ARG 36 Cb 0.00 -0.67 0.00 0.00 -1.56 0.00 0.00 34.95 32.72 1c7m s ARG 36 CO 0.00 0.14 1.26 -0.08 -0.81 0.00 0.00 175.30 175.81 1c7m s THR 37 N -1.37 2.17 -0.54 4.11 -1.32 -1.26 -0.55 115.64 116.88 1c7m s THR 37 Ca -0.04 0.10 -0.24 0.00 -1.21 0.00 0.00 61.69 60.31 1c7m s THR 37 Cb -0.10 -2.94 0.04 0.00 -1.51 0.00 0.00 72.50 68.00 1c7m s THR 37 CO 0.02 -0.03 0.92 -0.69 -2.21 0.00 0.00 174.62 172.62 1c7m s VAL 38 N -1.58 4.43 -0.02 5.08 1.01 -1.26 -4.51 120.40 123.55 1c7m s VAL 38 Ca 0.80 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 1c7m s VAL 38 Cb -0.34 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.53 1c7m s VAL 38 CO 0.40 -1.07 0.02 0.00 0.00 0.00 0.00 175.10 174.46 1c7m n ALA 39 N 7.34 -3.08 0.00 5.51 0.00 -1.26 -3.40 120.51 125.62 1c7m n ALA 39 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1c7m n ALA 39 Cb 0.47 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1c7m n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c7m n GLY 40 N 0.18 -1.14 3.53 0.00 0.00 -1.26 -4.94 105.19 101.55 1c7m n GLY 40 Ca -0.04 0.64 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 1c7m n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c7m s VAL 41 N 0.00 0.00 0.00 1.61 0.11 -1.26 -4.91 120.40 115.95 1c7m s VAL 41 Ca 0.00 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1c7m s VAL 41 Cb 0.00 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 1c7m s VAL 41 CO 0.00 -0.01 0.00 -0.67 -3.33 0.00 0.00 175.10 171.09 1c7m n ASP 42 N 2.56 -0.24 -2.17 3.54 2.03 -1.26 -2.09 116.55 118.92 1c7m n ASP 42 Ca -0.14 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.91 1c7m n ASP 42 Cb 0.56 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.00 1c7m n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c7m n GLY 43 N 0.00 4.89 3.65 0.27 0.00 -1.26 -5.02 105.19 107.72 1c7m n GLY 43 Ca 0.00 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1c7m n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c7m s PHE 44 N -2.71 3.34 -0.39 1.61 5.36 -0.89 -5.04 117.98 119.26 1c7m s PHE 44 Ca 0.48 1.05 -0.29 0.00 -0.96 0.00 0.00 56.93 57.21 1c7m s PHE 44 Cb 0.37 -2.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.12 1c7m s PHE 44 CO -0.05 -0.30 1.30 1.21 -1.46 0.00 0.00 175.22 175.92 1c7m s ASN 45 N 1.30 6.54 0.40 6.13 3.84 -1.26 -4.75 114.94 127.14 1c7m s ASN 45 Ca 0.32 0.87 -0.00 0.00 0.21 0.00 0.00 52.86 54.26 1c7m s ASN 45 Cb -0.16 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 37.98 1c7m s ASN 45 CO 0.09 -1.26 0.63 -0.31 -2.79 0.00 0.00 177.10 173.46 1c7m s TYR 46 N 4.80 3.41 0.70 0.43 2.02 -1.26 -5.11 117.35 122.34 1c7m s TYR 46 Ca 0.56 0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 57.49 1c7m s TYR 46 Cb -0.13 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.35 1c7m s TYR 46 CO 0.29 -0.11 1.11 -1.54 -1.57 0.00 0.00 175.55 173.72 1c7m s SER 47 N -4.11 4.83 0.17 2.29 1.04 -1.26 -4.86 113.70 111.80 1c7m s SER 47 Ca 0.44 1.96 -0.15 0.00 0.48 0.00 0.00 55.95 58.68 1c7m s SER 47 Cb -0.10 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.61 1c7m s SER 47 CO 0.38 -1.82 1.73 0.44 0.98 0.00 0.00 173.24 174.95 1c7m h ASP 48 N -0.39 0.04 0.42 7.02 3.32 -1.99 -1.59 116.42 123.25 1c7m h ASP 48 Ca -0.46 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 1c7m h ASP 48 Cb 1.24 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 1c7m h ASP 48 CO 0.53 0.05 -0.26 1.55 -1.72 0.00 0.00 179.24 179.39 1c7m h PRO 49 N 0.24 0.00 -0.00 3.56 0.13 -1.86 -0.06 132.00 134.01 1c7m h PRO 49 Ca 0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1c7m h PRO 49 Cb 0.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.38 1c7m h PRO 49 CO -0.26 0.26 0.00 1.98 -0.23 0.00 0.00 178.00 179.75 1c7m h MET 50 N 0.00 0.00 -0.68 0.86 4.05 -1.85 -1.91 114.93 115.40 1c7m h MET 50 Ca -0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1c7m h MET 50 Cb 0.54 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 1c7m h MET 50 CO 0.03 0.21 0.43 0.87 0.23 0.00 0.00 176.91 178.68 1c7m h LYS 51 N -0.20 0.91 0.00 0.39 1.57 -1.22 -2.82 116.57 115.19 1c7m h LYS 51 Ca 0.00 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1c7m h LYS 51 Cb 0.21 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1c7m h LYS 51 CO -0.00 0.63 -0.14 0.00 -0.57 0.00 0.00 179.45 179.36 1c7m h ALA 52 N 1.23 1.36 0.07 3.86 0.00 -1.08 -3.29 119.26 121.42 1c7m h ALA 52 Ca 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1c7m h ALA 52 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1c7m h ALA 52 CO -0.05 0.18 -0.03 1.25 0.00 0.00 0.00 179.25 180.60 1c7m h HIS 53 N 0.00 -0.09 -0.63 0.00 -0.00 -1.21 -3.50 115.15 109.71 1c7m h HIS 53 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1c7m h HIS 53 Cb 0.35 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 1c7m h HIS 53 CO 0.00 -0.06 0.00 0.41 -0.00 0.00 0.00 177.93 178.28 1c7m n GLY 54 N -0.11 0.27 7.00 5.26 0.00 -1.08 -4.98 105.19 111.56 1c7m n GLY 54 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1c7m n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c7m n GLY 55 N 0.00 2.09 3.37 -0.02 0.00 -1.26 -3.98 105.19 105.39 1c7m n GLY 55 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 1c7m n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c7m s ASP 56 N -4.00 -0.42 -1.03 1.61 1.01 -1.26 -4.04 116.67 108.54 1c7m s ASP 56 Ca 0.00 0.39 -0.21 0.00 0.71 0.00 0.00 52.55 53.44 1c7m s ASP 56 Cb 0.00 0.42 0.08 0.00 1.01 0.00 0.00 42.92 44.44 1c7m s ASP 56 CO 0.00 -0.52 1.38 0.26 0.21 0.00 0.00 175.17 176.50 1c7m s TRP 57 N -1.26 2.77 0.62 4.23 0.23 0.29 -4.83 118.94 120.99 1c7m s TRP 57 Ca -0.12 -1.14 -0.14 0.00 -2.03 0.00 0.00 56.10 52.67 1c7m s TRP 57 Cb -0.03 -4.57 -0.03 0.00 0.03 0.00 0.00 33.47 28.88 1c7m s TRP 57 CO 0.07 -1.77 1.05 -0.08 0.96 0.00 0.00 176.95 177.18 1c7m s THR 58 N 4.08 3.99 -1.61 2.01 -1.32 -1.26 -0.48 115.64 121.05 1c7m s THR 58 Ca 0.43 0.84 0.00 0.00 -1.21 0.00 0.00 61.69 61.75 1c7m s THR 58 Cb -0.01 -3.44 0.00 0.00 -1.51 0.00 0.00 72.50 67.53 1c7m s THR 58 CO -0.08 -0.66 0.25 -0.81 -2.21 0.00 0.00 174.62 171.11 1c7m n PRO 59 N -2.35 0.31 0.00 7.08 -0.04 -1.26 -1.52 135.00 137.22 1c7m n PRO 59 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1c7m n PRO 59 Cb 0.53 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1c7m n PRO 59 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1c7m n GLU 60 N -0.17 0.00 -0.25 0.54 2.13 -1.26 -4.40 120.64 117.23 1c7m n GLU 60 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1c7m n GLU 60 Cb 0.03 -0.78 0.15 0.00 0.27 0.00 0.00 31.44 31.11 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1c7m h ALA 61 N 0.00 1.00 -0.37 4.31 0.00 -1.90 -1.91 119.26 120.38 1c7m h ALA 61 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1c7m h ALA 61 Cb 0.86 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1c7m h ALA 61 CO 0.00 -0.07 0.25 -0.07 0.00 0.00 0.00 179.25 179.36 1c7m h LEU 62 N 0.58 0.36 -0.32 0.00 3.38 -1.57 -0.64 115.31 117.10 1c7m h LEU 62 Ca 0.36 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 1c7m h LEU 62 Cb 0.41 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1c7m h LEU 62 CO -0.29 0.26 -0.00 1.56 0.09 0.00 0.00 178.44 180.05 1c7m h GLN 63 N 0.42 0.57 -0.34 1.13 4.20 -1.58 0.24 115.11 119.75 1c7m h GLN 63 Ca 0.15 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1c7m h GLN 63 Cb 0.07 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1c7m h GLN 63 CO -0.03 0.70 0.02 0.93 -0.67 0.00 0.00 178.83 179.78 1c7m h GLU 64 N 0.37 0.59 -0.05 1.46 4.39 -1.40 -2.14 114.58 117.80 1c7m h GLU 64 Ca 0.09 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1c7m h GLU 64 Cb 0.45 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1c7m h GLU 64 CO 0.02 0.70 0.02 0.35 -1.16 0.00 0.00 179.01 178.94 1c7m h PHE 65 N 0.41 0.08 0.00 4.33 3.57 -1.16 -1.51 116.94 122.65 1c7m h PHE 65 Ca 0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1c7m h PHE 65 Cb 0.42 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1c7m h PHE 65 CO 0.03 0.18 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.11 1c7m h LEU 66 N -0.05 0.00 -0.26 0.59 3.38 -0.63 -1.43 115.31 116.92 1c7m h LEU 66 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1c7m h LEU 66 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1c7m h LEU 66 CO -0.00 0.11 -0.17 0.74 0.09 0.00 0.00 178.44 179.21 1c7m h THR 67 N 0.00 1.31 -1.89 0.22 2.02 -1.28 0.33 112.91 113.62 1c7m h THR 67 Ca -0.00 -1.29 -0.39 0.00 0.77 0.00 0.00 66.41 65.50 1c7m h THR 67 Cb 0.26 1.59 -0.30 0.00 -1.74 0.00 0.00 68.15 67.96 1c7m h THR 67 CO 0.01 0.40 -0.73 0.20 0.37 0.00 0.00 175.52 175.78 1c7m s ASN 68 N -6.30 0.74 0.23 4.18 0.01 -0.58 -4.08 114.94 109.14 1c7m s ASN 68 Ca -0.13 -2.04 -0.06 0.00 -0.71 0.00 0.00 52.86 49.92 1c7m s ASN 68 Cb 0.08 0.53 0.32 0.00 0.41 0.00 0.00 41.25 42.59 1c7m s ASN 68 CO 0.79 -0.19 1.83 -0.65 -1.51 0.00 0.00 177.10 177.36 1c7m h PRO 69 N 6.27 0.81 0.00 -0.60 0.11 -1.49 -1.74 132.00 135.35 1c7m h PRO 69 Ca 0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1c7m h PRO 69 Cb 1.03 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1c7m h PRO 69 CO 0.21 0.53 0.00 0.36 -0.21 0.00 0.00 178.00 178.89 1c7m n LYS 70 N -4.71 0.44 -0.00 1.05 2.85 -1.26 -1.33 118.16 115.21 1c7m n LYS 70 Ca 0.11 0.02 -0.18 0.00 -1.05 0.00 0.00 58.31 57.21 1c7m n LYS 70 Cb 0.20 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 32.99 1c7m n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c7m h ALA 71 N 3.37 0.23 0.00 0.58 0.00 -1.68 -3.24 119.26 118.51 1c7m h ALA 71 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1c7m h ALA 71 Cb 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1c7m h ALA 71 CO 0.00 0.63 -0.16 0.28 0.00 0.00 0.00 179.25 180.00 1c7m h VAL 72 N 0.42 0.67 -3.66 0.00 2.07 -1.58 -3.42 116.25 110.75 1c7m h VAL 72 Ca -0.08 -1.54 -0.76 0.00 0.82 0.00 0.00 66.70 65.14 1c7m h VAL 72 Cb 1.47 1.30 -0.29 0.00 -1.52 0.00 0.00 31.29 32.25 1c7m h VAL 72 CO 0.17 0.23 0.04 -0.69 0.02 0.00 0.00 177.57 177.34 1c7m s VAL 73 N -1.92 5.13 -0.39 2.57 1.01 -0.44 -5.05 120.40 121.32 1c7m s VAL 73 Ca -0.10 -2.92 -0.28 0.00 0.00 0.00 0.00 61.98 58.67 1c7m s VAL 73 Cb -0.00 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1c7m s VAL 73 CO 0.30 -1.03 1.77 -0.75 0.00 0.00 0.00 175.10 175.39 1c7m s LYS 74 N -0.33 3.24 0.00 2.72 2.47 -1.22 -2.29 119.74 124.33 1c7m s LYS 74 Ca 0.21 1.24 0.00 0.00 -1.56 0.00 0.00 55.97 55.86 1c7m s LYS 74 Cb -0.12 -4.21 0.00 0.00 -1.46 0.00 0.00 37.83 32.04 1c7m s LYS 74 CO -0.08 -1.97 0.00 0.41 0.16 0.00 0.00 175.35 173.87 1c7m n GLY 75 N 5.43 1.07 3.77 5.54 0.00 -1.26 -4.76 105.19 114.97 1c7m n GLY 75 Ca 0.22 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1c7m n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1c7m s THR 76 N -2.32 3.37 -2.00 2.61 -1.32 -0.97 -4.69 115.64 110.33 1c7m s THR 76 Ca 0.00 1.15 0.11 0.00 -1.21 0.00 0.00 61.69 61.74 1c7m s THR 76 Cb 0.00 -3.64 0.31 0.00 -1.51 0.00 0.00 72.50 67.66 1c7m s THR 76 CO 0.00 0.10 1.07 0.29 -2.21 0.00 0.00 174.62 173.87 1c7m n LYS 77 N 0.17 0.45 -2.57 7.08 5.02 -1.26 -4.70 118.16 122.34 1c7m n LYS 77 Ca 0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 1c7m n LYS 77 Cb 0.47 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1c7m s MET 78 N -2.00 3.28 -1.30 1.97 1.75 -1.26 -4.95 119.30 116.78 1c7m s MET 78 Ca 0.16 -0.13 -0.16 0.00 -1.25 0.00 0.00 55.69 54.31 1c7m s MET 78 Cb 0.07 -4.14 0.01 0.00 2.84 0.00 0.00 34.83 33.62 1c7m s MET 78 CO 0.12 -2.01 2.07 0.00 -0.65 0.00 0.00 175.02 174.56 1c7m n ALA 79 N 9.06 4.63 -3.48 4.11 0.00 -1.26 -4.88 120.51 128.68 1c7m n ALA 79 Ca 0.04 -3.74 -0.16 0.00 0.00 0.00 0.00 53.44 49.58 1c7m n ALA 79 Cb 0.49 -3.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.22 1c7m n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1c7m s PHE 80 N 4.06 0.27 0.01 0.00 5.36 -1.26 -5.09 117.98 121.34 1c7m s PHE 80 Ca 0.51 -0.00 -0.17 0.00 -0.96 0.00 0.00 56.93 56.30 1c7m s PHE 80 Cb 0.11 -0.33 -0.34 0.00 -0.34 0.00 0.00 43.02 42.13 1c7m s PHE 80 CO -0.01 -0.09 0.98 0.00 -1.46 0.00 0.00 175.22 174.64 1c7m h ALA 81 N 6.94 -0.13 0.00 11.12 0.00 -1.95 -3.41 119.26 131.83 1c7m h ALA 81 Ca -0.39 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1c7m h ALA 81 Cb 1.15 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1c7m h ALA 81 CO 0.49 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.75 1c7m n GLY 82 N 1.67 4.52 3.67 0.00 0.00 -1.26 -4.51 105.19 109.29 1c7m n GLY 82 Ca -0.16 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1c7m n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c7m s LEU 83 N 0.00 4.17 -0.04 0.99 1.43 0.12 -4.95 118.68 120.40 1c7m s LEU 83 Ca 0.00 1.11 -0.15 0.00 -1.03 0.00 0.00 54.13 54.06 1c7m s LEU 83 Cb 0.00 -3.16 -0.32 0.00 0.03 0.00 0.00 46.19 42.75 1c7m s LEU 83 CO 0.00 -0.36 0.77 1.55 0.23 0.00 0.00 176.35 178.54 1c7m h PRO 84 N 7.34 0.39 -6.51 1.29 0.13 -1.91 -3.39 132.00 129.34 1c7m h PRO 84 Ca -0.30 -0.67 -0.53 0.00 -0.87 0.00 0.00 66.00 63.63 1c7m h PRO 84 Cb 1.14 0.25 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 1c7m h PRO 84 CO 0.82 1.32 -0.02 0.15 -0.23 0.00 0.00 178.00 180.05 1c7m s LYS 85 N -2.54 3.96 0.28 0.86 -0.14 -1.26 -5.01 119.74 115.88 1c7m s LYS 85 Ca -0.15 0.52 0.01 0.00 -1.36 0.00 0.00 55.97 54.99 1c7m s LYS 85 Cb 0.04 -2.68 0.57 0.00 -1.68 0.00 0.00 37.83 34.08 1c7m s LYS 85 CO 0.86 0.31 1.80 0.97 -0.76 0.00 0.00 175.35 178.54 1c7m h ILE 86 N 2.26 0.83 -0.77 2.17 -0.00 -2.00 -2.03 117.51 117.97 1c7m h ILE 86 Ca -0.48 -0.29 0.08 0.00 -0.00 0.00 0.00 64.86 64.17 1c7m h ILE 86 Cb 1.18 -0.08 -0.05 0.00 -0.00 0.00 0.00 36.82 37.87 1c7m h ILE 86 CO 0.67 0.15 0.50 -0.33 -0.00 0.00 0.00 178.15 179.14 1c7m h GLU 87 N 0.84 0.75 0.56 2.19 5.08 -1.95 -1.87 114.58 120.19 1c7m h GLU 87 Ca 0.49 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.78 1c7m h GLU 87 Cb 0.59 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1c7m h GLU 87 CO -0.31 0.50 -0.27 -0.44 -1.00 0.00 0.00 179.01 177.49 1c7m h ASP 88 N 0.78 -0.64 -0.26 1.42 3.32 -1.76 -1.10 116.42 118.18 1c7m h ASP 88 Ca 0.34 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 1c7m h ASP 88 Cb 0.32 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1c7m h ASP 88 CO -0.12 -0.38 -0.03 0.08 -1.72 0.00 0.00 179.24 177.07 1c7m h ARG 89 N -0.87 0.49 -0.77 3.56 -0.00 -1.64 -2.63 114.38 112.52 1c7m h ARG 89 Ca -0.08 -0.17 0.03 0.00 -0.00 0.00 0.00 59.98 59.76 1c7m h ARG 89 Cb 0.62 -0.03 -0.05 0.00 -0.00 0.00 0.00 29.97 30.51 1c7m h ARG 89 CO 0.13 0.68 0.49 0.00 -0.00 0.00 0.00 179.97 181.26 1c7m h ALA 90 N 0.79 1.01 -0.34 0.08 0.00 -1.42 0.04 119.26 119.41 1c7m h ALA 90 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1c7m h ALA 90 Cb 0.48 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1c7m h ALA 90 CO 0.02 0.29 0.17 -0.91 0.00 0.00 0.00 179.25 178.81 1c7m h ASN 91 N 0.94 0.44 -0.68 0.00 2.35 -1.04 -1.49 115.58 116.12 1c7m h ASN 91 Ca 0.31 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1c7m h ASN 91 Cb 0.02 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1c7m h ASN 91 CO -0.11 0.44 0.44 0.25 -1.65 0.00 0.00 177.43 176.79 1c7m h LEU 92 N 0.42 0.73 -0.49 1.61 6.46 -1.38 -1.48 115.31 121.19 1c7m h LEU 92 Ca 0.12 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1c7m h LEU 92 Cb 0.11 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 1c7m h LEU 92 CO -0.02 0.52 0.29 0.40 -0.62 0.00 0.00 178.44 179.02 1c7m h ILE 93 N 0.87 1.05 -0.67 4.05 2.04 -0.97 -0.40 117.51 123.48 1c7m h ILE 93 Ca 0.26 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1c7m h ILE 93 Cb -0.04 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1c7m h ILE 93 CO -0.08 0.11 0.38 0.00 0.00 0.00 0.00 178.15 178.56 1c7m h ALA 94 N 1.22 0.89 -0.24 1.87 0.00 -1.17 -0.70 119.26 121.13 1c7m h ALA 94 Ca 0.20 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1c7m h ALA 94 Cb 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 1c7m h ALA 94 CO -0.09 0.08 -0.27 -0.92 0.00 0.00 0.00 179.25 178.05 1c7m h TYR 95 N 0.72 -0.74 0.00 0.00 3.20 -1.13 -2.43 116.97 116.59 1c7m h TYR 95 Ca 0.29 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 1c7m h TYR 95 Cb 0.15 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1c7m h TYR 95 CO -0.07 -0.35 -0.18 -0.07 -1.64 0.00 0.00 178.16 175.85 1c7m h LEU 96 N -0.29 0.00 0.11 2.82 3.38 -0.78 0.28 115.31 120.84 1c7m h LEU 96 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1c7m h LEU 96 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1c7m h LEU 96 CO -0.40 0.18 -0.05 -0.33 0.09 0.00 0.00 178.44 177.93 1c7m h GLU 97 N 0.00 -0.14 0.17 1.13 5.08 -1.12 -3.38 114.58 116.32 1c7m h GLU 97 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1c7m h GLU 97 Cb 0.39 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1c7m h GLU 97 CO 0.02 0.14 -0.08 0.78 -1.00 0.00 0.00 179.01 178.87 1c7m h GLY 98 N -0.43 -0.24 -6.41 -3.84 0.00 -1.25 -3.44 103.07 87.46 1c7m h GLY 98 Ca -0.02 0.09 -0.60 0.00 0.00 0.00 0.00 47.33 46.80 1c7m h GLY 98 CO 0.03 -0.09 0.42 1.62 0.00 0.00 0.00 176.54 178.52 1c7m s GLN 99 N -2.51 3.87 0.00 4.80 0.74 0.97 -5.10 119.66 122.42 1c7m s GLN 99 Ca -0.06 0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.84 1c7m s GLN 99 Cb 0.00 -3.77 0.00 0.00 1.10 0.00 0.00 33.01 30.34 1c7m s GLN 99 CO 0.20 -0.78 0.44 1.04 -0.55 0.00 0.00 175.29 175.64