#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7m n ALA 2 N 0.00 4.43 -3.73 3.04 0.00 -1.26 -2.53 120.51 120.46 1c7m n ALA 2 Ca 0.00 -4.74 -0.36 0.00 0.00 0.00 0.00 53.44 48.33 1c7m n ALA 2 Cb 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 19.45 17.67 1c7m n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1c7m s ASP 3 N -1.60 5.26 0.35 0.00 1.01 -1.26 -4.99 116.67 115.43 1c7m s ASP 3 Ca 0.33 -1.92 0.15 0.00 0.71 0.00 0.00 52.55 51.83 1c7m s ASP 3 Cb 0.05 -1.83 0.63 0.00 1.01 0.00 0.00 42.92 42.78 1c7m s ASP 3 CO 0.00 -0.52 1.73 1.55 0.21 0.00 0.00 175.17 178.15 1c7m h PRO 4 N 8.08 0.00 -0.25 8.23 0.13 -1.85 -2.23 132.00 144.11 1c7m h PRO 4 Ca -0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.94 1c7m h PRO 4 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1c7m h PRO 4 CO 0.69 0.44 -0.05 0.00 -0.23 0.00 0.00 178.00 178.85 1c7m h ALA 5 N 1.56 1.45 -0.27 -0.56 0.00 -1.95 -2.26 119.26 117.23 1c7m h ALA 5 Ca -0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1c7m h ALA 5 Cb 0.88 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1c7m h ALA 5 CO 0.06 0.39 -0.44 0.00 0.00 0.00 0.00 179.25 179.26 1c7m h ALA 6 N 1.58 0.72 0.00 0.00 0.00 -1.89 -3.36 119.26 116.31 1c7m h ALA 6 Ca 0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1c7m h ALA 6 Cb 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1c7m h ALA 6 CO 0.01 0.67 -0.05 0.78 0.00 0.00 0.00 179.25 180.65 1c7m h GLY 7 N 0.97 0.00 1.64 0.00 0.00 -1.12 -2.76 103.07 101.80 1c7m h GLY 7 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1c7m h GLY 7 CO 0.09 0.00 -0.02 1.05 0.00 0.00 0.00 176.54 177.66 1c7m h GLU 8 N 0.00 0.45 -0.18 4.80 -0.00 -1.56 0.78 114.58 118.86 1c7m h GLU 8 Ca -0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 59.36 59.25 1c7m h GLU 8 Cb 0.42 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.10 1c7m h GLU 8 CO 0.01 0.49 0.03 0.87 -0.00 0.00 0.00 179.01 180.42 1c7m h LYS 9 N 0.43 0.30 -0.66 1.06 1.57 -1.68 -2.37 116.57 115.22 1c7m h LYS 9 Ca 0.09 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1c7m h LYS 9 Cb 0.32 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1c7m h LYS 9 CO 0.01 0.45 0.17 0.28 -0.57 0.00 0.00 179.45 179.79 1c7m h VAL 10 N 0.10 1.25 -0.04 0.50 2.07 -1.52 -2.30 116.25 116.31 1c7m h VAL 10 Ca 0.06 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1c7m h VAL 10 Cb 0.29 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1c7m h VAL 10 CO 0.00 0.35 0.05 0.15 0.02 0.00 0.00 177.57 178.14 1c7m h PHE 11 N 0.99 0.00 -0.74 1.57 3.57 -0.88 -2.45 116.94 118.99 1c7m h PHE 11 Ca 0.21 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.93 1c7m h PHE 11 Cb 0.33 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1c7m h PHE 11 CO 0.02 0.00 0.60 0.78 -2.23 0.00 0.00 178.31 177.48 1c7m h GLY 12 N 0.00 0.00 1.39 2.40 0.00 -0.85 -0.06 103.07 105.95 1c7m h GLY 12 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1c7m h GLY 12 CO -0.00 0.00 -0.25 0.50 0.00 0.00 0.00 176.54 176.79 1c7m h LYS 13 N 0.00 0.70 0.16 4.80 1.79 -1.54 -3.36 116.57 119.12 1c7m h LYS 13 Ca 0.35 -0.29 -0.29 0.00 -2.18 0.00 0.00 60.65 58.24 1c7m h LYS 13 Cb 1.55 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 32.18 1c7m h LYS 13 CO -0.00 0.88 -1.33 0.00 -1.08 0.00 0.00 179.45 177.91 1c7m h LYS 15 N 0.09 0.00 -0.48 0.00 2.10 -1.21 -1.09 116.57 115.97 1c7m h LYS 15 Ca -0.18 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.45 1c7m h LYS 15 Cb 2.03 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.34 1c7m h LYS 15 CO 0.22 0.01 0.19 0.00 -2.00 0.00 0.00 179.45 177.87 1c7m h ALA 16 N 1.99 1.43 0.05 0.07 0.00 -1.81 -3.35 119.26 117.64 1c7m h ALA 16 Ca -0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 1c7m h ALA 16 Cb 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1c7m h ALA 16 CO 0.00 0.44 -1.94 0.00 0.00 0.00 0.00 179.25 177.75 1c7m s HIS 18 N -2.49 2.97 -0.23 0.00 3.76 -0.49 -0.97 115.29 117.84 1c7m s HIS 18 Ca -0.29 -0.14 0.08 0.00 -0.15 0.00 0.00 55.06 54.57 1c7m s HIS 18 Cb 0.08 -1.82 -0.20 0.00 1.11 0.00 0.00 32.58 31.75 1c7m s HIS 18 CO 0.65 0.16 -0.11 1.63 -0.85 0.00 0.00 174.74 176.23 1c7m n LYS 19 N 2.80 0.67 -0.38 1.40 5.02 -1.10 -4.19 118.16 122.38 1c7m n LYS 19 Ca -0.18 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1c7m n LYS 19 Cb 0.53 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1c7m n LYS 19 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1c7m n LEU 20 N -3.05 0.66 -3.34 -0.35 -0.00 -1.26 -4.88 117.00 104.78 1c7m n LEU 20 Ca -0.41 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.26 1c7m n LEU 20 Cb 1.05 -1.12 -0.01 0.00 -0.00 0.00 0.00 43.42 43.35 1c7m n LEU 20 CO 0.33 -0.38 0.85 0.47 -0.00 0.00 0.00 177.39 178.65 1c7m n ASP 21 N 0.06 6.04 0.00 1.45 9.92 -1.26 -4.40 116.55 128.36 1c7m n ASP 21 Ca 0.00 -3.68 0.00 0.00 -0.53 0.00 0.00 54.79 50.58 1c7m n ASP 21 Cb 0.05 -0.90 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c7m n GLY 22 N -0.10 1.27 3.87 0.44 0.00 -1.26 -4.93 105.19 104.47 1c7m n GLY 22 Ca 0.39 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 1c7m n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c7m s ASN 23 N 0.00 4.87 0.00 1.61 0.01 -1.26 -4.86 114.94 115.30 1c7m s ASN 23 Ca 0.00 1.05 0.00 0.00 -0.71 0.00 0.00 52.86 53.20 1c7m s ASN 23 Cb 0.00 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 39.93 1c7m s ASN 23 CO 0.00 -1.70 0.00 0.47 -1.51 0.00 0.00 177.10 174.36 1c7m n ASP 24 N -3.23 0.00 0.00 -1.22 8.00 -1.26 -4.25 116.55 114.59 1c7m n ASP 24 Ca 0.07 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1c7m n ASP 24 Cb 0.58 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1c7m n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c7m n GLY 25 N 2.27 0.24 0.09 0.44 0.00 -1.26 -2.69 105.19 104.28 1c7m n GLY 25 Ca 0.00 -1.31 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 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 0.92 -2.83 1.61 2.07 -1.32 -3.49 116.25 113.22 1c7m h VAL 26 Ca 0.00 -1.98 -0.44 0.00 0.82 0.00 0.00 66.70 65.10 1c7m h VAL 26 Cb 0.00 2.03 0.06 0.00 -1.52 0.00 0.00 31.29 31.86 1c7m h VAL 26 CO 0.00 0.31 0.05 -0.83 0.02 0.00 0.00 177.57 177.13 1c7m s GLY 27 N -4.55 1.78 0.92 2.17 0.00 -0.70 -5.02 107.32 101.93 1c7m s GLY 27 Ca -0.23 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 1c7m s GLY 27 CO 0.52 -0.91 1.09 2.56 0.00 0.00 0.00 173.10 176.37 1c7m s PRO 28 N -4.94 1.05 0.10 2.90 0.04 -1.26 -4.64 135.00 128.25 1c7m s PRO 28 Ca 0.59 0.91 -0.31 0.00 0.04 0.00 0.00 61.00 62.23 1c7m s PRO 28 Cb -0.10 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1c7m s PRO 28 CO 0.41 -2.41 1.68 -3.38 0.04 0.00 0.00 177.00 173.34 1c7m s HIS 29 N -2.86 2.45 -0.99 0.56 -3.43 -1.26 -4.46 115.29 105.31 1c7m s HIS 29 Ca 0.64 0.28 0.11 0.00 -0.80 0.00 0.00 55.06 55.29 1c7m s HIS 29 Cb -0.19 -4.01 0.48 0.00 -1.43 0.00 0.00 32.58 27.43 1c7m s HIS 29 CO 0.58 -4.04 1.30 1.28 -2.00 0.00 0.00 174.74 171.86 1c7m n LEU 30 N 5.38 3.52 -4.63 5.38 4.77 -1.26 -4.82 117.00 125.34 1c7m n LEU 30 Ca 0.16 -1.78 -0.43 0.00 -0.03 0.00 0.00 56.01 53.93 1c7m n LEU 30 Cb 0.40 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1c7m n LEU 30 CO 0.63 0.53 1.53 0.54 -1.33 0.00 0.00 177.39 179.29 1c7m s ASN 31 N -0.65 6.14 -0.70 -1.43 2.20 -1.26 -2.48 114.94 116.76 1c7m s ASN 31 Ca 0.33 1.83 0.00 0.00 -0.94 0.00 0.00 52.86 54.09 1c7m s ASN 31 Cb 0.23 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.95 1c7m s ASN 31 CO 0.14 -1.42 0.00 0.61 -2.94 0.00 0.00 177.10 173.48 1c7m n GLY 32 N 4.96 0.30 0.17 0.45 0.00 -1.26 -5.00 105.19 104.81 1c7m n GLY 32 Ca 0.22 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 1.29 -2.63 1.61 3.04 -1.74 -3.36 116.25 114.46 1c7m h VAL 33 Ca -0.18 -1.53 -0.54 0.00 -1.01 0.00 0.00 66.70 63.44 1c7m h VAL 33 Cb 0.97 1.83 -0.05 0.00 -2.01 0.00 0.00 31.29 32.03 1c7m h VAL 33 CO 0.22 0.43 1.18 -0.69 -1.01 0.00 0.00 177.57 177.71 1c7m s VAL 34 N -3.99 3.65 0.00 1.51 1.01 -1.26 -1.84 120.40 119.47 1c7m s VAL 34 Ca -0.02 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1c7m s VAL 34 Cb 0.14 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1c7m s VAL 34 CO 0.73 -0.97 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1c7m n GLY 35 N 5.38 0.74 3.65 4.51 0.00 0.33 -5.00 105.19 114.80 1c7m n GLY 35 Ca 0.16 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.76 2.42 0.64 1.61 3.52 -0.77 -4.83 118.95 120.79 1c7m s ARG 36 Ca 0.00 -0.89 -0.18 0.00 -0.13 0.00 0.00 55.73 54.53 1c7m s ARG 36 Cb 0.00 -2.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 1c7m s ARG 36 CO 0.00 0.53 1.30 -0.08 -0.81 0.00 0.00 175.30 176.24 1c7m s THR 37 N -1.28 2.04 -0.19 4.11 -1.32 -1.26 -0.61 115.64 117.14 1c7m s THR 37 Ca 0.24 0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.46 1c7m s THR 37 Cb -0.11 -3.01 0.00 0.00 -1.51 0.00 0.00 72.50 67.87 1c7m s THR 37 CO 0.17 -0.01 1.08 -0.69 -2.21 0.00 0.00 174.62 172.96 1c7m s VAL 38 N -1.39 4.61 -0.46 5.08 1.01 -0.52 -2.55 120.40 126.19 1c7m s VAL 38 Ca 0.82 1.93 -0.02 0.00 0.00 0.00 0.00 61.98 64.72 1c7m s VAL 38 Cb -0.38 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 1c7m s VAL 38 CO 0.40 -0.14 0.41 0.00 0.00 0.00 0.00 175.10 175.77 1c7m n ALA 39 N 6.11 -1.57 0.00 5.51 0.00 -1.26 -3.22 120.51 126.08 1c7m n ALA 39 Ca 0.12 0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.39 1c7m n ALA 39 Cb 0.46 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.37 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 -1.37 -0.56 3.54 0.00 0.00 -1.06 -4.82 105.19 100.92 1c7m n GLY 40 Ca -0.02 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1c7m n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c7m s VAL 41 N -2.55 3.88 -0.52 1.61 1.01 -1.26 -4.98 120.40 117.58 1c7m s VAL 41 Ca -0.22 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 1c7m s VAL 41 Cb 0.07 -4.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.49 1c7m s VAL 41 CO 0.77 -1.83 1.76 -1.81 0.00 0.00 0.00 175.10 173.99 1c7m s ASP 42 N 4.12 5.59 0.00 3.32 1.01 -1.26 -1.63 116.67 127.82 1c7m s ASP 42 Ca 0.37 0.60 0.00 0.00 0.71 0.00 0.00 52.55 54.23 1c7m s ASP 42 Cb -0.06 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1c7m s ASP 42 CO 0.06 -2.08 0.00 0.61 0.21 0.00 0.00 175.17 173.97 1c7m n GLY 43 N 5.54 3.77 3.74 0.21 0.00 -1.26 -5.13 105.19 112.07 1c7m n GLY 43 Ca 0.20 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 3.65 -0.96 1.61 2.19 -0.64 -5.01 117.98 118.81 1c7m s PHE 44 Ca 0.00 1.65 -0.23 0.00 0.33 0.00 0.00 56.93 58.68 1c7m s PHE 44 Cb 0.00 -3.22 0.06 0.00 -1.31 0.00 0.00 43.02 38.54 1c7m s PHE 44 CO 0.00 -0.42 1.38 1.21 1.83 0.00 0.00 175.22 179.22 1c7m s ASN 45 N -0.14 6.45 0.70 6.13 2.47 -1.26 -4.94 114.94 124.35 1c7m s ASN 45 Ca 0.49 -1.34 -0.11 0.00 0.42 0.00 0.00 52.86 52.31 1c7m s ASN 45 Cb -0.28 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 36.98 1c7m s ASN 45 CO 0.34 -1.52 1.07 -0.31 -3.72 0.00 0.00 177.10 172.97 1c7m s TYR 46 N 4.86 3.23 0.75 0.43 2.02 -1.26 -5.07 117.35 122.32 1c7m s TYR 46 Ca 0.43 1.21 -0.11 0.00 -0.37 0.00 0.00 57.07 58.23 1c7m s TYR 46 Cb -0.02 -2.96 0.04 0.00 -0.40 0.00 0.00 41.96 38.63 1c7m s TYR 46 CO -0.06 -1.21 1.08 -1.54 -1.57 0.00 0.00 175.55 172.25 1c7m s SER 47 N -4.08 4.89 0.10 2.29 1.04 -1.26 -4.87 113.70 111.81 1c7m s SER 47 Ca 0.58 1.47 -0.25 0.00 0.48 0.00 0.00 55.95 58.23 1c7m s SER 47 Cb -0.12 -2.27 -0.11 0.00 0.10 0.00 0.00 66.02 63.61 1c7m s SER 47 CO 0.54 -1.74 1.68 -0.78 0.98 0.00 0.00 173.24 173.92 1c7m h ASP 48 N -0.92 -0.39 0.87 7.02 1.82 -1.99 -1.28 116.42 121.54 1c7m h ASP 48 Ca -0.45 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 1c7m h ASP 48 Cb 1.24 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.39 1c7m h ASP 48 CO 0.58 -0.21 0.00 1.55 -1.61 0.00 0.00 179.24 179.54 1c7m h PRO 49 N -0.30 0.00 0.14 0.28 0.13 -1.87 -0.53 132.00 129.85 1c7m h PRO 49 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1c7m h PRO 49 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 1c7m h PRO 49 CO -0.06 0.00 -0.07 1.98 -0.23 0.00 0.00 178.00 179.62 1c7m h MET 50 N 0.00 -0.18 -0.59 0.86 -1.53 -1.77 -2.61 114.93 109.11 1c7m h MET 50 Ca 0.00 0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 1c7m h MET 50 Cb 0.43 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.50 1c7m h MET 50 CO 0.00 0.13 0.29 0.87 0.14 0.00 0.00 176.91 178.34 1c7m h LYS 51 N -0.49 0.85 0.00 0.39 1.57 -1.14 -3.03 116.57 114.72 1c7m h LYS 51 Ca -0.02 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1c7m h LYS 51 Cb 0.39 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1c7m h LYS 51 CO 0.03 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.59 1c7m n ALA 52 N -2.33 1.52 0.14 3.86 0.00 -0.22 -3.46 120.51 120.02 1c7m n ALA 52 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1c7m n ALA 52 Cb 0.12 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1c7m n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c7m h HIS 53 N 0.00 -0.35 0.00 0.00 -0.00 -1.33 -3.50 115.15 109.97 1c7m h HIS 53 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1c7m h HIS 53 Cb 0.23 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1c7m h HIS 53 CO 0.00 -0.22 0.00 0.41 -0.00 0.00 0.00 177.93 178.12 1c7m n GLY 54 N 0.19 2.51 7.00 5.26 0.00 -1.20 -4.95 105.19 114.00 1c7m n GLY 54 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 3.93 3.27 -0.02 0.00 -1.26 -1.44 105.19 109.67 1c7m n GLY 55 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.20 -1.09 1.61 1.01 -1.26 -4.01 116.67 108.73 1c7m s ASP 56 Ca 0.00 -0.02 -0.22 0.00 0.71 0.00 0.00 52.55 53.02 1c7m s ASP 56 Cb 0.00 0.36 0.03 0.00 1.01 0.00 0.00 42.92 44.31 1c7m s ASP 56 CO 0.00 -0.56 1.66 0.26 0.21 0.00 0.00 175.17 176.74 1c7m s TRP 57 N -2.03 2.42 0.63 4.23 0.23 0.23 -4.82 118.94 119.82 1c7m s TRP 57 Ca -0.08 -0.67 -0.15 0.00 -2.03 0.00 0.00 56.10 53.17 1c7m s TRP 57 Cb -0.02 -4.54 -0.02 0.00 0.03 0.00 0.00 33.47 28.92 1c7m s TRP 57 CO 0.00 -1.80 1.08 0.95 0.96 0.00 0.00 176.95 178.14 1c7m s THR 58 N 6.24 3.60 -1.39 2.01 -4.23 -1.26 -0.51 115.64 120.09 1c7m s THR 58 Ca 0.54 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1c7m s THR 58 Cb -0.00 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1c7m s THR 58 CO -0.02 -0.48 0.22 -0.81 -0.54 0.00 0.00 174.62 172.99 1c7m n PRO 59 N -2.30 0.31 0.00 3.99 -0.04 -1.26 -1.84 135.00 133.86 1c7m n PRO 59 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1c7m n PRO 59 Cb 0.53 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.01 0.06 -0.34 0.54 0.00 -1.26 -4.49 120.64 115.17 1c7m n GLU 60 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.21 1c7m n GLU 60 Cb 0.05 -0.80 0.21 0.00 0.00 0.00 0.00 31.44 30.89 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1c7m h ALA 61 N 0.00 1.38 -0.51 4.31 0.00 -1.93 -1.62 119.26 120.89 1c7m h ALA 61 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1c7m h ALA 61 Cb 0.60 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1c7m h ALA 61 CO 0.00 0.21 0.34 -0.07 0.00 0.00 0.00 179.25 179.73 1c7m h LEU 62 N 0.95 0.46 -1.09 0.00 3.38 -1.67 -0.33 115.31 117.01 1c7m h LEU 62 Ca 0.46 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 1c7m h LEU 62 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1c7m h LEU 62 CO -0.25 0.31 -0.32 1.56 0.09 0.00 0.00 178.44 179.83 1c7m h GLN 63 N 0.53 0.23 0.01 1.13 4.20 -1.54 0.21 115.11 119.89 1c7m h GLN 63 Ca 0.21 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1c7m h GLN 63 Cb 0.18 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1c7m h GLN 63 CO -0.06 0.54 -0.00 0.93 -0.67 0.00 0.00 178.83 179.56 1c7m h GLU 64 N 0.20 -0.01 -0.58 1.46 5.08 -1.38 -3.35 114.58 116.00 1c7m h GLU 64 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1c7m h GLU 64 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1c7m h GLU 64 CO 0.05 0.70 0.34 0.35 -1.00 0.00 0.00 179.01 179.45 1c7m h PHE 65 N -0.75 0.77 0.00 4.33 3.57 -1.06 -0.86 116.94 122.94 1c7m h PHE 65 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1c7m h PHE 65 Cb 0.72 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1c7m h PHE 65 CO 0.18 0.54 0.00 1.28 -2.23 0.00 0.00 178.31 178.08 1c7m n LEU 66 N -4.62 0.00 -0.07 0.59 4.77 0.72 -1.63 117.00 116.76 1c7m n LEU 66 Ca 0.04 0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 1c7m n LEU 66 Cb 0.06 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.79 1c7m n LEU 66 CO 0.36 -0.17 -0.94 0.41 -1.33 0.00 0.00 177.39 175.72 1c7m n THR 67 N -1.28 0.85 -3.57 -5.08 -1.04 -1.07 -0.27 114.28 102.83 1c7m n THR 67 Ca 0.05 -0.43 -0.28 0.00 -2.04 0.00 0.00 64.05 61.36 1c7m n THR 67 Cb 0.09 -0.85 -0.11 0.00 -1.82 0.00 0.00 70.33 67.64 1c7m n THR 67 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1c7m s ASN 68 N -4.94 2.63 0.19 8.00 0.02 -0.35 -4.16 114.94 116.33 1c7m s ASN 68 Ca -0.13 -3.27 -0.12 0.00 -1.02 0.00 0.00 52.86 48.32 1c7m s ASN 68 Cb 0.04 -0.84 0.19 0.00 0.02 0.00 0.00 41.25 40.67 1c7m s ASN 68 CO 0.43 -0.15 1.76 -0.65 0.02 0.00 0.00 177.10 178.50 1c7m h PRO 69 N 5.65 0.40 -0.10 -0.60 0.11 -1.54 -2.28 132.00 133.64 1c7m h PRO 69 Ca 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1c7m h PRO 69 Cb 0.86 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1c7m h PRO 69 CO 0.48 0.27 0.00 0.36 -0.21 0.00 0.00 178.00 178.90 1c7m n LYS 70 N -4.96 1.18 -0.07 1.05 2.85 -1.26 -1.66 118.16 115.29 1c7m n LYS 70 Ca 0.06 -0.27 -0.22 0.00 -1.05 0.00 0.00 58.31 56.82 1c7m n LYS 70 Cb 0.20 -1.08 -0.12 0.00 -0.65 0.00 0.00 35.03 33.38 1c7m n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c7m n ALA 71 N -0.27 0.88 -0.03 0.58 0.00 -0.87 -3.80 120.51 117.00 1c7m n ALA 71 Ca 0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 1c7m n ALA 71 Cb 0.07 -0.52 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 1c7m n ALA 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1c7m h VAL 72 N -0.63 1.49 -3.50 0.00 2.07 -1.59 -3.37 116.25 110.73 1c7m h VAL 72 Ca -0.42 -1.45 -0.71 0.00 0.82 0.00 0.00 66.70 64.94 1c7m h VAL 72 Cb 1.59 2.47 -0.34 0.00 -1.52 0.00 0.00 31.29 33.49 1c7m h VAL 72 CO -0.13 0.38 -0.19 -0.69 0.02 0.00 0.00 177.57 176.95 1c7m s VAL 73 N -3.74 4.22 -0.52 2.57 1.01 -0.66 -5.07 120.40 118.21 1c7m s VAL 73 Ca -0.17 -3.26 -0.28 0.00 0.00 0.00 0.00 61.98 58.28 1c7m s VAL 73 Cb 0.01 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1c7m s VAL 73 CO 0.68 -0.98 1.61 -0.75 0.00 0.00 0.00 175.10 175.66 1c7m s LYS 74 N -0.55 3.15 0.00 2.72 2.20 -1.25 -1.88 119.74 124.13 1c7m s LYS 74 Ca 0.21 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 1c7m s LYS 74 Cb -0.14 -4.20 0.00 0.00 -1.51 0.00 0.00 37.83 31.98 1c7m s LYS 74 CO -0.07 -2.10 0.00 0.41 -0.36 0.00 0.00 175.35 173.23 1c7m n GLY 75 N 5.39 1.22 3.75 5.54 0.00 -1.26 -4.80 105.19 115.03 1c7m n GLY 75 Ca 0.17 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.07 4.10 -2.00 2.61 -1.32 -0.79 -4.58 115.64 111.59 1c7m s THR 76 Ca 0.00 2.05 0.07 0.00 -1.21 0.00 0.00 61.69 62.60 1c7m s THR 76 Cb 0.00 -4.29 0.20 0.00 -1.51 0.00 0.00 72.50 66.90 1c7m s THR 76 CO 0.00 0.47 0.83 0.29 -2.21 0.00 0.00 174.62 174.00 1c7m n LYS 77 N 1.40 0.32 -2.65 7.08 5.02 -1.26 -4.74 118.16 123.33 1c7m n LYS 77 Ca -0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 1c7m n LYS 77 Cb 0.47 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 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 3.25 -1.41 1.97 1.75 -1.26 -4.96 119.30 116.64 1c7m s MET 78 Ca 0.11 -0.27 -0.15 0.00 -1.25 0.00 0.00 55.69 54.13 1c7m s MET 78 Cb 0.05 -4.14 0.03 0.00 2.84 0.00 0.00 34.83 33.60 1c7m s MET 78 CO 0.08 -1.92 2.19 0.00 -0.65 0.00 0.00 175.02 174.72 1c7m n ALA 79 N 8.66 5.30 -3.61 4.11 0.00 -1.26 -4.87 120.51 128.84 1c7m n ALA 79 Ca 0.03 -3.84 -0.24 0.00 0.00 0.00 0.00 53.44 49.39 1c7m n ALA 79 Cb 0.48 -3.55 -0.17 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 3.39 1.24 -0.29 0.00 5.36 -1.26 -5.06 117.98 121.35 1c7m s PHE 80 Ca 0.48 -0.47 0.27 0.00 -0.96 0.00 0.00 56.93 56.24 1c7m s PHE 80 Cb 0.14 -0.98 0.70 0.00 -0.34 0.00 0.00 43.02 42.53 1c7m s PHE 80 CO -0.07 -0.31 1.74 0.00 -1.46 0.00 0.00 175.22 175.12 1c7m h ALA 81 N 7.35 1.00 0.00 11.12 0.00 -1.93 -3.42 119.26 133.37 1c7m h ALA 81 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1c7m h ALA 81 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1c7m h ALA 81 CO 0.45 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.11 1c7m n GLY 82 N 0.75 3.16 3.75 0.00 0.00 -1.26 -4.81 105.19 106.78 1c7m n GLY 82 Ca 0.03 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 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 4.56 -0.13 0.99 1.43 0.63 -4.92 118.68 121.24 1c7m s LEU 83 Ca 0.00 1.74 -0.15 0.00 -1.03 0.00 0.00 54.13 54.69 1c7m s LEU 83 Cb 0.00 -3.46 -0.13 0.00 0.03 0.00 0.00 46.19 42.63 1c7m s LEU 83 CO 0.00 0.08 0.35 1.55 0.23 0.00 0.00 176.35 178.56 1c7m h PRO 84 N 4.86 0.00 -7.00 1.29 0.13 -1.95 -3.40 132.00 125.92 1c7m h PRO 84 Ca -0.45 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.23 1c7m h PRO 84 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1c7m h PRO 84 CO 0.69 0.53 0.31 0.15 -0.23 0.00 0.00 178.00 179.45 1c7m s LYS 85 N -1.97 4.25 0.29 0.86 1.02 -1.26 -5.00 119.74 117.93 1c7m s LYS 85 Ca -0.12 1.10 -0.01 0.00 0.02 0.00 0.00 55.97 56.95 1c7m s LYS 85 Cb -0.01 -2.28 0.47 0.00 -0.52 0.00 0.00 37.83 35.49 1c7m s LYS 85 CO 0.37 0.03 1.93 0.97 -0.92 0.00 0.00 175.35 177.73 1c7m h ILE 86 N 2.00 1.13 -0.19 2.17 -0.00 -1.98 -2.90 117.51 117.74 1c7m h ILE 86 Ca -0.49 -0.38 -0.00 0.00 -0.00 0.00 0.00 64.86 63.99 1c7m h ILE 86 Cb 1.18 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.82 37.92 1c7m h ILE 86 CO 0.62 0.20 0.12 -0.33 -0.00 0.00 0.00 178.15 178.76 1c7m h GLU 87 N 1.11 0.25 0.65 2.19 3.07 -1.94 -0.86 114.58 119.05 1c7m h GLU 87 Ca 0.37 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.18 1c7m h GLU 87 Cb 0.07 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1c7m h GLU 87 CO -0.12 0.17 -0.31 -0.44 -1.40 0.00 0.00 179.01 176.91 1c7m h ASP 88 N 0.26 -0.74 -0.49 1.42 3.32 -1.90 -1.78 116.42 116.50 1c7m h ASP 88 Ca 0.07 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1c7m h ASP 88 Cb -0.01 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1c7m h ASP 88 CO -0.01 -0.45 -0.01 0.08 -1.72 0.00 0.00 179.24 177.12 1c7m h ARG 89 N -1.00 0.87 -0.55 3.56 -0.00 -1.63 -2.13 114.38 113.49 1c7m h ARG 89 Ca -0.09 -0.28 0.07 0.00 -0.00 0.00 0.00 59.98 59.68 1c7m h ARG 89 Cb 0.71 -0.08 -0.06 0.00 -0.00 0.00 0.00 29.97 30.54 1c7m h ARG 89 CO 0.15 0.91 0.23 0.00 -0.00 0.00 0.00 179.97 181.25 1c7m h ALA 90 N 0.92 0.70 -0.46 0.08 0.00 -1.25 0.10 119.26 119.36 1c7m h ALA 90 Ca 0.14 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1c7m h ALA 90 Cb 0.53 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1c7m h ALA 90 CO 0.03 -0.16 0.14 -0.91 0.00 0.00 0.00 179.25 178.34 1c7m h ASN 91 N 0.43 0.67 -0.60 0.00 2.35 -1.02 -1.66 115.58 115.74 1c7m h ASN 91 Ca 0.26 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1c7m h ASN 91 Cb 0.27 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 1c7m h ASN 91 CO -0.24 0.70 0.39 0.25 -1.65 0.00 0.00 177.43 176.88 1c7m h LEU 92 N 0.60 0.71 -0.50 1.61 6.46 -1.29 -1.14 115.31 121.76 1c7m h LEU 92 Ca 0.15 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1c7m h LEU 92 Cb 0.28 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1c7m h LEU 92 CO -0.00 0.53 0.30 0.40 -0.62 0.00 0.00 178.44 179.04 1c7m h ILE 93 N 0.82 1.05 -0.80 4.05 2.04 -0.79 0.08 117.51 123.96 1c7m h ILE 93 Ca 0.22 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1c7m h ILE 93 Cb -0.07 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 1c7m h ILE 93 CO -0.05 0.11 0.47 0.00 0.00 0.00 0.00 178.15 178.69 1c7m h ALA 94 N 1.22 1.11 0.06 1.87 0.00 -1.24 -0.94 119.26 121.33 1c7m h ALA 94 Ca 0.20 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1c7m h ALA 94 Cb 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1c7m h ALA 94 CO -0.09 0.17 -0.31 -0.92 0.00 0.00 0.00 179.25 178.09 1c7m h TYR 95 N 0.84 -0.86 0.00 0.00 3.20 -0.94 -2.36 116.97 116.86 1c7m h TYR 95 Ca 0.36 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1c7m h TYR 95 Cb 0.23 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1c7m h TYR 95 CO -0.05 -0.41 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.94 1c7m h LEU 96 N -0.50 0.00 -0.03 2.82 3.38 -0.78 0.20 115.31 120.40 1c7m h LEU 96 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1c7m h LEU 96 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1c7m h LEU 96 CO -0.23 0.05 -0.01 -0.33 0.09 0.00 0.00 178.44 178.01 1c7m h GLU 97 N 0.00 0.07 0.19 1.13 5.08 -1.17 -3.39 114.58 116.49 1c7m h GLU 97 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1c7m h GLU 97 Cb 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1c7m h GLU 97 CO 0.01 0.44 -0.09 0.78 -1.00 0.00 0.00 179.01 179.15 1c7m h GLY 98 N -0.31 -0.27 -7.23 -3.84 0.00 -1.17 -3.42 103.07 86.82 1c7m h GLY 98 Ca 0.01 0.10 -0.63 0.00 0.00 0.00 0.00 47.33 46.81 1c7m h GLY 98 CO 0.00 -0.10 0.54 1.20 0.00 0.00 0.00 176.54 178.18 1c7m s GLN 99 N -2.54 3.14 0.00 4.80 1.11 0.69 -5.11 119.66 121.75 1c7m s GLN 99 Ca -0.06 -0.76 0.21 0.00 0.01 0.00 0.00 55.36 54.76 1c7m s GLN 99 Cb 0.00 -4.20 0.17 0.00 -1.01 0.00 0.00 33.01 27.97 1c7m s GLN 99 CO 0.19 -1.77 1.17 1.04 0.01 0.00 0.00 175.29 175.93