#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 4.47 -3.45 3.04 0.00 -1.26 -2.21 120.51 121.10 1c7m n ALA 2 Ca 0.00 -4.74 -0.39 0.00 0.00 0.00 0.00 53.44 48.31 1c7m n ALA 2 Cb 0.00 -1.83 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.26 5.50 0.36 0.00 1.01 -1.26 -4.91 116.67 116.10 1c7m s ASP 3 Ca 0.32 -1.65 0.12 0.00 0.71 0.00 0.00 52.55 52.05 1c7m s ASP 3 Cb 0.03 -1.93 0.67 0.00 1.01 0.00 0.00 42.92 42.70 1c7m s ASP 3 CO 0.00 -0.54 1.80 1.55 0.21 0.00 0.00 175.17 178.20 1c7m h PRO 4 N 8.30 0.03 0.00 8.23 0.13 -1.86 -1.53 132.00 145.30 1c7m h PRO 4 Ca -0.20 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1c7m h PRO 4 Cb 1.07 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1c7m h PRO 4 CO 0.74 0.41 -0.11 0.00 -0.23 0.00 0.00 178.00 178.82 1c7m h ALA 5 N 1.59 1.18 0.17 -0.56 0.00 -1.95 -2.45 119.26 117.24 1c7m h ALA 5 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.52 1c7m h ALA 5 Cb 0.69 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.48 1c7m h ALA 5 CO 0.05 0.13 -1.32 0.00 0.00 0.00 0.00 179.25 178.11 1c7m h ALA 6 N 1.89 0.01 0.00 0.00 0.00 -1.83 -3.39 119.26 115.94 1c7m h ALA 6 Ca -0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.02 1c7m h ALA 6 Cb 0.38 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1c7m h ALA 6 CO 0.01 0.89 -0.05 0.78 0.00 0.00 0.00 179.25 180.88 1c7m h GLY 7 N 1.15 0.00 1.00 0.00 0.00 -1.03 -2.50 103.07 101.69 1c7m h GLY 7 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1c7m h GLY 7 CO 0.23 0.00 0.36 1.05 0.00 0.00 0.00 176.54 178.18 1c7m h GLU 8 N 0.00 0.88 0.00 4.80 -0.00 -1.65 0.18 114.58 118.80 1c7m h GLU 8 Ca -0.00 -0.10 -0.18 0.00 -0.00 0.00 0.00 59.36 59.08 1c7m h GLU 8 Cb 0.19 -0.18 -0.02 0.00 -0.00 0.00 0.00 28.75 28.74 1c7m h GLU 8 CO 0.01 0.66 -0.85 1.57 -0.00 0.00 0.00 179.01 180.40 1c7m h LYS 9 N 0.87 0.05 -0.44 1.06 2.10 -1.75 -2.23 116.57 116.23 1c7m h LYS 9 Ca 0.23 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.78 1c7m h LYS 9 Cb 0.03 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.35 1c7m h LYS 9 CO -0.04 0.86 0.14 0.28 -2.00 0.00 0.00 179.45 178.70 1c7m h VAL 10 N 0.03 1.22 -0.05 0.07 2.07 -1.47 -2.76 116.25 115.36 1c7m h VAL 10 Ca -0.02 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1c7m h VAL 10 Cb 1.48 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1c7m h VAL 10 CO 0.12 0.26 0.15 0.15 0.02 0.00 0.00 177.57 178.26 1c7m h PHE 11 N 0.58 0.00 -0.85 1.57 3.57 -0.99 -2.89 116.94 117.94 1c7m h PHE 11 Ca 0.14 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.82 1c7m h PHE 11 Cb 0.26 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 1c7m h PHE 11 CO 0.01 0.00 0.56 0.78 -2.23 0.00 0.00 178.31 177.44 1c7m h GLY 12 N 0.00 0.82 1.31 2.40 0.00 -1.08 0.42 103.07 106.95 1c7m h GLY 12 Ca 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1c7m h GLY 12 CO -0.00 0.02 -0.25 0.50 0.00 0.00 0.00 176.54 176.81 1c7m h LYS 13 N 0.42 0.79 -0.42 4.80 1.57 -1.64 -3.31 116.57 118.78 1c7m h LYS 13 Ca 0.43 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1c7m h LYS 13 Cb 1.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1c7m h LYS 13 CO -0.16 0.95 -0.26 0.00 -0.57 0.00 0.00 179.45 179.42 1c7m n LYS 15 N -4.10 0.22 0.04 0.00 2.85 0.07 -1.56 118.16 115.68 1c7m n LYS 15 Ca -0.00 0.12 0.04 0.00 -1.05 0.00 0.00 58.31 57.41 1c7m n LYS 15 Cb 0.47 -1.50 0.44 0.00 -0.65 0.00 0.00 35.03 33.79 1c7m n LYS 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c7m h ALA 16 N 2.87 1.71 0.01 0.58 0.00 -1.78 -3.36 119.26 119.30 1c7m h ALA 16 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.49 1c7m h ALA 16 Cb 0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1c7m h ALA 16 CO 0.00 0.25 -2.08 0.00 0.00 0.00 0.00 179.25 177.42 1c7m s HIS 18 N -2.47 3.33 -0.26 0.00 3.76 -0.64 -1.27 115.29 117.74 1c7m s HIS 18 Ca -0.33 0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1c7m s HIS 18 Cb 0.10 -1.96 -0.16 0.00 1.11 0.00 0.00 32.58 31.68 1c7m s HIS 18 CO 0.57 0.42 -0.26 1.63 -0.85 0.00 0.00 174.74 176.25 1c7m n LYS 19 N 2.69 0.63 0.00 1.40 5.02 -1.26 -4.24 118.16 122.40 1c7m n LYS 19 Ca -0.18 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1c7m n LYS 19 Cb 0.53 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1c7m n LYS 19 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c7m n LEU 20 N -3.49 0.00 -3.22 -0.35 4.77 -1.26 -4.94 117.00 108.51 1c7m n LEU 20 Ca -0.48 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.14 1c7m n LEU 20 Cb 0.96 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 1c7m n LEU 20 CO 0.20 0.00 2.85 -0.67 -1.33 0.00 0.00 177.39 178.45 1c7m n ASP 21 N 2.36 8.15 0.00 -1.43 -0.08 -1.26 -4.43 116.55 119.86 1c7m n ASP 21 Ca 0.00 -2.78 0.00 0.00 -1.51 0.00 0.00 54.79 50.50 1c7m n ASP 21 Cb 0.00 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 41.99 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c7m n GLY 22 N 2.75 0.05 3.33 0.27 0.00 -1.26 -4.99 105.19 105.34 1c7m n GLY 22 Ca 0.69 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.01 1.85 0.00 1.61 0.01 -1.26 -5.00 114.94 110.14 1c7m s ASN 23 Ca 0.00 -1.22 0.00 0.00 -0.71 0.00 0.00 52.86 50.93 1c7m s ASN 23 Cb 0.00 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.67 1c7m s ASN 23 CO 0.00 -0.51 0.00 0.47 -1.51 0.00 0.00 177.10 175.55 1c7m n ASP 24 N -0.42 0.00 0.00 -1.22 8.00 -1.26 -3.36 116.55 118.28 1c7m n ASP 24 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1c7m n ASP 24 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 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 3.69 1.02 0.17 0.44 0.00 -1.26 -4.20 105.19 105.05 1c7m n GLY 25 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 1c7m n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1c7m n VAL 26 N 0.00 1.12 -3.43 1.61 0.31 -1.20 -5.03 118.33 111.71 1c7m n VAL 26 Ca 0.00 0.23 -0.37 0.00 -0.01 0.00 0.00 64.34 64.20 1c7m n VAL 26 Cb 0.00 -2.07 -0.06 0.00 -0.91 0.00 0.00 33.84 30.80 1c7m n VAL 26 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1c7m s GLY 27 N -4.38 2.49 0.58 2.92 0.00 -0.40 -5.00 107.32 103.53 1c7m s GLY 27 Ca -0.20 -0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.18 1c7m s GLY 27 CO 0.29 0.16 1.11 2.56 0.00 0.00 0.00 173.10 177.22 1c7m s PRO 28 N -1.45 3.23 -0.15 2.90 0.04 -1.26 -4.24 135.00 134.07 1c7m s PRO 28 Ca 0.30 1.47 -0.37 0.00 0.04 0.00 0.00 61.00 62.44 1c7m s PRO 28 Cb -0.16 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 1c7m s PRO 28 CO 0.17 -0.92 1.74 -2.39 0.04 0.00 0.00 177.00 175.64 1c7m n HIS 29 N -1.68 2.11 -0.13 0.56 1.44 -1.21 -4.68 115.22 111.62 1c7m n HIS 29 Ca 0.11 0.34 0.00 0.00 -2.01 0.00 0.00 57.72 56.16 1c7m n HIS 29 Cb 0.52 -2.52 0.21 0.00 0.12 0.00 0.00 29.99 28.31 1c7m n HIS 29 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1c7m n LEU 30 N 5.43 4.04 -4.55 2.39 4.77 -1.26 -4.87 117.00 122.95 1c7m n LEU 30 Ca 0.24 -2.07 -0.36 0.00 -0.03 0.00 0.00 56.01 53.79 1c7m n LEU 30 Cb 0.20 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1c7m n LEU 30 CO 0.75 0.54 1.97 0.54 -1.33 0.00 0.00 177.39 179.87 1c7m s ASN 31 N -0.42 4.52 -0.76 -1.43 2.20 -1.26 -1.96 114.94 115.83 1c7m s ASN 31 Ca 0.32 0.99 -0.04 0.00 -0.94 0.00 0.00 52.86 53.19 1c7m s ASN 31 Cb 0.25 -2.50 0.00 0.00 -2.00 0.00 0.00 41.25 37.00 1c7m s ASN 31 CO 0.09 -2.83 0.53 0.61 -2.94 0.00 0.00 177.10 172.55 1c7m n GLY 32 N 5.97 0.11 0.22 0.45 0.00 -1.26 -4.99 105.19 105.69 1c7m n GLY 32 Ca 0.35 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.22 0.98 -2.41 1.61 3.04 -1.63 -3.36 116.25 113.26 1c7m h VAL 33 Ca -0.30 -0.98 -0.54 0.00 -1.01 0.00 0.00 66.70 63.88 1c7m h VAL 33 Cb 1.20 1.56 -0.03 0.00 -2.01 0.00 0.00 31.29 32.00 1c7m h VAL 33 CO 0.30 0.26 1.28 -0.69 -1.01 0.00 0.00 177.57 177.71 1c7m s VAL 34 N -4.19 3.48 0.00 1.51 1.01 -1.26 -1.81 120.40 119.14 1c7m s VAL 34 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1c7m s VAL 34 Cb 0.14 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1c7m s VAL 34 CO 0.67 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1c7m n GLY 35 N 5.51 0.78 3.81 4.51 0.00 0.48 -4.96 105.19 115.33 1c7m n GLY 35 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.60 2.98 0.66 1.61 3.52 -0.75 -4.83 118.95 121.54 1c7m s ARG 36 Ca 0.00 -0.76 -0.17 0.00 -0.13 0.00 0.00 55.73 54.67 1c7m s ARG 36 Cb 0.00 -2.73 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1c7m s ARG 36 CO 0.00 0.52 0.85 -2.37 -0.81 0.00 0.00 175.30 173.50 1c7m n THR 37 N -0.06 3.03 -2.54 4.11 5.66 -1.26 -0.42 114.28 122.79 1c7m n THR 37 Ca -0.08 -0.44 -0.41 0.00 -3.05 0.00 0.00 64.05 60.06 1c7m n THR 37 Cb 0.53 -1.02 -0.04 0.00 -1.55 0.00 0.00 70.33 68.25 1c7m n THR 37 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1c7m s VAL 38 N -1.70 4.11 -1.06 1.08 1.01 -0.24 -2.12 120.40 121.48 1c7m s VAL 38 Ca 0.73 1.69 -0.00 0.00 0.00 0.00 0.00 61.98 64.40 1c7m s VAL 38 Cb -0.38 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1c7m s VAL 38 CO 0.50 0.23 0.01 0.00 0.00 0.00 0.00 175.10 175.85 1c7m n ALA 39 N 2.96 -0.37 -2.17 5.51 0.00 -1.26 -3.75 120.51 121.43 1c7m n ALA 39 Ca 0.04 0.10 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 1c7m n ALA 39 Cb 0.47 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.02 5.49 2.65 0.00 0.00 -0.90 -4.74 105.19 106.67 1c7m n GLY 40 Ca -0.14 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.39 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 -2.58 -0.16 -0.78 1.61 1.01 -1.26 -4.91 120.40 113.33 1c7m s VAL 41 Ca 0.49 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 1c7m s VAL 41 Cb 0.22 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1c7m s VAL 41 CO -0.14 -0.28 1.87 1.51 0.00 0.00 0.00 175.10 178.07 1c7m s ASP 42 N 2.20 5.28 0.00 3.32 1.47 -1.26 -2.74 116.67 124.94 1c7m s ASP 42 Ca 0.04 -0.27 0.00 0.00 1.18 0.00 0.00 52.55 53.49 1c7m s ASP 42 Cb -0.16 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.87 1c7m s ASP 42 CO -0.11 -2.51 0.00 0.61 0.68 0.00 0.00 175.17 173.84 1c7m n GLY 43 N 6.32 3.23 3.74 2.12 0.00 -1.26 -5.15 105.19 114.19 1c7m n GLY 43 Ca 0.30 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 3.92 -1.00 1.61 5.36 -1.11 -5.02 117.98 121.74 1c7m s PHE 44 Ca 0.00 1.85 -0.23 0.00 -0.96 0.00 0.00 56.93 57.59 1c7m s PHE 44 Cb 0.00 -2.99 0.01 0.00 -0.34 0.00 0.00 43.02 39.70 1c7m s PHE 44 CO 0.00 0.37 1.67 0.54 -1.46 0.00 0.00 175.22 176.34 1c7m s ASN 45 N -0.74 5.97 0.60 6.13 2.20 -1.26 -4.94 114.94 122.89 1c7m s ASN 45 Ca 0.43 -1.23 -0.12 0.00 -0.94 0.00 0.00 52.86 50.99 1c7m s ASN 45 Cb -0.25 -2.57 -0.05 0.00 -2.00 0.00 0.00 41.25 36.39 1c7m s ASN 45 CO 0.31 -2.00 1.02 -0.31 -2.94 0.00 0.00 177.10 173.18 1c7m s TYR 46 N 7.03 3.58 0.75 1.54 2.02 -1.26 -5.05 117.35 125.96 1c7m s TYR 46 Ca 0.56 1.33 -0.11 0.00 -0.37 0.00 0.00 57.07 58.48 1c7m s TYR 46 Cb -0.02 -2.74 0.05 0.00 -0.40 0.00 0.00 41.96 38.85 1c7m s TYR 46 CO -0.05 -0.65 1.09 -1.54 -1.57 0.00 0.00 175.55 172.84 1c7m s SER 47 N -3.96 4.64 0.13 2.29 1.04 -1.26 -4.86 113.70 111.72 1c7m s SER 47 Ca 0.56 1.83 -0.19 0.00 0.48 0.00 0.00 55.95 58.63 1c7m s SER 47 Cb -0.11 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1c7m s SER 47 CO 0.50 -1.95 1.74 0.44 0.98 0.00 0.00 173.24 174.95 1c7m h ASP 48 N -0.96 0.04 0.60 7.02 3.32 -1.98 -1.63 116.42 122.82 1c7m h ASP 48 Ca -0.44 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 1c7m h ASP 48 Cb 1.23 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1c7m h ASP 48 CO 0.52 0.05 -0.17 1.55 -1.72 0.00 0.00 179.24 179.48 1c7m h PRO 49 N 0.15 0.00 0.12 3.56 0.13 -1.86 -1.13 132.00 132.97 1c7m h PRO 49 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1c7m h PRO 49 Cb 0.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1c7m h PRO 49 CO -0.13 0.17 -0.06 1.98 -0.23 0.00 0.00 178.00 179.73 1c7m h MET 50 N 0.00 -0.16 -0.90 0.86 -1.53 -1.76 -2.60 114.93 108.84 1c7m h MET 50 Ca -0.00 0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 1c7m h MET 50 Cb 0.51 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.55 1c7m h MET 50 CO 0.02 0.01 0.59 0.87 0.14 0.00 0.00 176.91 178.54 1c7m h LYS 51 N -0.30 1.19 0.00 0.39 1.57 -1.23 -3.00 116.57 115.19 1c7m h LYS 51 Ca -0.02 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1c7m h LYS 51 Cb 0.24 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1c7m h LYS 51 CO 0.03 0.80 -0.03 0.00 -0.57 0.00 0.00 179.45 179.68 1c7m h ALA 52 N 1.32 1.07 0.43 3.86 0.00 -1.27 -3.28 119.26 121.39 1c7m h ALA 52 Ca 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1c7m h ALA 52 Cb -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1c7m h ALA 52 CO -0.07 0.03 -0.21 1.25 0.00 0.00 0.00 179.25 180.26 1c7m h HIS 53 N 0.00 -0.53 0.00 0.00 6.17 -1.31 -3.49 115.15 115.99 1c7m h HIS 53 Ca -0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1c7m h HIS 53 Cb 0.25 0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.36 1c7m h HIS 53 CO 0.00 -0.33 0.00 0.41 0.71 0.00 0.00 177.93 178.72 1c7m n GLY 54 N -0.42 2.77 7.00 5.26 0.00 -1.24 -4.92 105.19 113.65 1c7m n GLY 54 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 3.89 3.35 -0.02 0.00 -1.26 -1.08 105.19 110.07 1c7m n GLY 55 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.37 -1.11 1.61 1.01 -1.26 -4.08 116.67 108.47 1c7m s ASP 56 Ca 0.00 0.23 -0.21 0.00 0.71 0.00 0.00 52.55 53.28 1c7m s ASP 56 Cb 0.00 0.43 0.06 0.00 1.01 0.00 0.00 42.92 44.41 1c7m s ASP 56 CO 0.00 -0.59 1.53 0.26 0.21 0.00 0.00 175.17 176.59 1c7m s TRP 57 N -1.77 2.63 0.67 4.23 0.23 0.44 -4.76 118.94 120.60 1c7m s TRP 57 Ca -0.09 -1.11 -0.14 0.00 -2.03 0.00 0.00 56.10 52.73 1c7m s TRP 57 Cb -0.02 -4.71 0.00 0.00 0.03 0.00 0.00 33.47 28.77 1c7m s TRP 57 CO 0.03 -1.89 1.09 0.95 0.96 0.00 0.00 176.95 178.09 1c7m s THR 58 N 4.68 3.51 -1.26 2.01 -4.23 -1.26 -0.39 115.64 118.70 1c7m s THR 58 Ca 0.48 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1c7m s THR 58 Cb 0.01 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1c7m s THR 58 CO -0.04 -0.50 0.18 -0.81 -0.54 0.00 0.00 174.62 172.91 1c7m n PRO 59 N -2.61 0.28 0.00 3.99 -0.04 -1.26 -1.86 135.00 133.50 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 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1c7m n PRO 59 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1c7m n GLU 60 N 0.13 0.00 -0.29 0.54 1.02 -1.26 -4.48 120.64 116.30 1c7m n GLU 60 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1c7m n GLU 60 Cb 0.05 -0.75 0.18 0.00 -0.02 0.00 0.00 31.44 30.90 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1c7m h ALA 61 N 0.00 1.19 -0.38 0.62 0.00 -1.92 -1.90 119.26 116.87 1c7m h ALA 61 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1c7m h ALA 61 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1c7m h ALA 61 CO 0.00 0.06 0.25 -0.07 0.00 0.00 0.00 179.25 179.49 1c7m h LEU 62 N 0.75 0.37 -1.13 0.00 3.38 -1.68 -0.26 115.31 116.73 1c7m h LEU 62 Ca 0.41 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 1c7m h LEU 62 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1c7m h LEU 62 CO -0.27 0.26 -0.39 1.56 0.09 0.00 0.00 178.44 179.69 1c7m h GLN 63 N 0.43 0.08 0.02 1.13 4.20 -1.58 0.18 115.11 119.57 1c7m h GLN 63 Ca 0.15 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1c7m h GLN 63 Cb 0.08 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1c7m h GLN 63 CO -0.04 0.46 -0.01 0.93 -0.67 0.00 0.00 178.83 179.51 1c7m h GLU 64 N 0.07 -0.03 -0.65 1.46 5.08 -1.39 -3.36 114.58 115.77 1c7m h GLU 64 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1c7m h GLU 64 Cb 0.72 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1c7m h GLU 64 CO 0.05 0.72 0.41 0.35 -1.00 0.00 0.00 179.01 179.54 1c7m h PHE 65 N -0.86 0.83 0.00 4.33 3.57 -1.06 -0.97 116.94 122.78 1c7m h PHE 65 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1c7m h PHE 65 Cb 0.75 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1c7m h PHE 65 CO 0.19 0.54 0.00 1.28 -2.23 0.00 0.00 178.31 178.10 1c7m n LEU 66 N -4.61 0.00 -0.09 0.59 4.77 0.62 -1.60 117.00 116.68 1c7m n LEU 66 Ca 0.05 0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1c7m n LEU 66 Cb 0.03 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 1c7m n LEU 66 CO 0.36 -0.33 -1.09 0.41 -1.33 0.00 0.00 177.39 175.41 1c7m n THR 67 N -1.48 1.13 -3.56 -5.08 -1.04 -1.03 -0.13 114.28 103.08 1c7m n THR 67 Ca 0.02 -0.56 -0.28 0.00 -2.04 0.00 0.00 64.05 61.19 1c7m n THR 67 Cb 0.11 -0.89 -0.11 0.00 -1.82 0.00 0.00 70.33 67.62 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 -5.45 2.64 0.18 8.00 0.02 -0.40 -4.07 114.94 115.86 1c7m s ASN 68 Ca -0.17 -3.17 -0.13 0.00 -1.02 0.00 0.00 52.86 48.36 1c7m s ASN 68 Cb 0.06 -0.81 0.16 0.00 0.02 0.00 0.00 41.25 40.68 1c7m s ASN 68 CO 0.56 -0.17 1.75 -0.65 0.02 0.00 0.00 177.10 178.62 1c7m h PRO 69 N 5.78 0.34 -0.32 -0.60 0.11 -1.53 -2.23 132.00 133.55 1c7m h PRO 69 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1c7m h PRO 69 Cb 0.87 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1c7m h PRO 69 CO 0.47 0.23 0.00 0.36 -0.21 0.00 0.00 178.00 178.84 1c7m n LYS 70 N -5.00 1.34 -0.06 1.05 2.85 -1.26 -2.06 118.16 115.02 1c7m n LYS 70 Ca 0.05 -0.42 -0.22 0.00 -1.05 0.00 0.00 58.31 56.66 1c7m n LYS 70 Cb 0.19 -1.22 -0.12 0.00 -0.65 0.00 0.00 35.03 33.23 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 -0.10 0.96 -0.01 0.58 0.00 -0.85 -3.86 120.51 117.23 1c7m n ALA 71 Ca 0.04 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 1c7m n ALA 71 Cb 0.17 -0.48 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.39 1.36 -3.60 0.00 2.07 -1.60 -3.38 116.25 110.70 1c7m h VAL 72 Ca -0.45 -1.28 -0.71 0.00 0.82 0.00 0.00 66.70 65.07 1c7m h VAL 72 Cb 1.74 2.21 -0.33 0.00 -1.52 0.00 0.00 31.29 33.39 1c7m h VAL 72 CO -0.09 0.32 -0.27 -0.69 0.02 0.00 0.00 177.57 176.87 1c7m s VAL 73 N -3.91 4.09 -0.38 2.57 1.01 -0.87 -5.07 120.40 117.83 1c7m s VAL 73 Ca -0.16 -2.88 -0.28 0.00 0.00 0.00 0.00 61.98 58.66 1c7m s VAL 73 Cb 0.01 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1c7m s VAL 73 CO 0.65 -0.91 1.81 -0.54 0.00 0.00 0.00 175.10 176.11 1c7m s LYS 74 N -0.04 3.19 0.00 2.72 1.02 -1.25 -1.90 119.74 123.48 1c7m s LYS 74 Ca 0.17 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.44 1c7m s LYS 74 Cb -0.18 -4.23 0.00 0.00 -0.52 0.00 0.00 37.83 32.89 1c7m s LYS 74 CO -0.04 -2.03 0.00 0.41 -0.92 0.00 0.00 175.35 172.76 1c7m n GLY 75 N 5.47 0.94 3.75 -3.33 0.00 -1.26 -4.78 105.19 105.98 1c7m n GLY 75 Ca 0.23 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.47 3.80 -2.00 2.61 -1.32 -0.80 -4.57 115.64 110.88 1c7m s THR 76 Ca 0.00 1.67 0.03 0.00 -1.21 0.00 0.00 61.69 62.18 1c7m s THR 76 Cb 0.00 -4.06 0.09 0.00 -1.51 0.00 0.00 72.50 67.02 1c7m s THR 76 CO 0.00 0.34 0.54 1.17 -2.21 0.00 0.00 174.62 174.46 1c7m n LYS 77 N 1.86 0.29 -2.88 7.08 4.81 -1.26 -4.75 118.16 123.31 1c7m n LYS 77 Ca 0.01 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.02 1c7m n LYS 77 Cb 0.46 -1.18 -0.04 0.00 0.02 0.00 0.00 35.03 34.29 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1c7m s MET 78 N -2.00 3.31 -1.37 1.64 1.75 -1.26 -4.98 119.30 116.39 1c7m s MET 78 Ca 0.05 -0.34 -0.15 0.00 -1.25 0.00 0.00 55.69 53.99 1c7m s MET 78 Cb 0.02 -4.06 0.02 0.00 2.84 0.00 0.00 34.83 33.66 1c7m s MET 78 CO 0.04 -1.45 2.12 0.00 -0.65 0.00 0.00 175.02 175.08 1c7m n ALA 79 N 7.29 4.98 -3.57 4.11 0.00 -1.26 -4.89 120.51 127.17 1c7m n ALA 79 Ca 0.01 -3.81 -0.19 0.00 0.00 0.00 0.00 53.44 49.45 1c7m n ALA 79 Cb 0.47 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.20 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 3.66 0.59 0.11 0.00 5.36 -1.26 -5.08 117.98 121.36 1c7m s PHE 80 Ca 0.49 -0.13 -0.01 0.00 -0.96 0.00 0.00 56.93 56.32 1c7m s PHE 80 Cb 0.12 -0.55 -0.18 0.00 -0.34 0.00 0.00 43.02 42.07 1c7m s PHE 80 CO -0.04 -0.15 1.24 0.00 -1.46 0.00 0.00 175.22 174.81 1c7m h ALA 81 N 7.07 0.27 0.00 11.12 0.00 -1.93 -3.42 119.26 132.37 1c7m h ALA 81 Ca -0.39 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1c7m h ALA 81 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1c7m h ALA 81 CO 0.48 0.97 0.00 0.41 0.00 0.00 0.00 179.25 181.11 1c7m n GLY 82 N 1.26 4.50 3.75 0.00 0.00 -1.26 -4.63 105.19 108.82 1c7m n GLY 82 Ca -0.06 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 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 4.55 -0.13 0.99 1.43 0.81 -4.92 118.68 121.41 1c7m s LEU 83 Ca 0.00 1.72 -0.14 0.00 -1.03 0.00 0.00 54.13 54.68 1c7m s LEU 83 Cb 0.00 -3.45 -0.12 0.00 0.03 0.00 0.00 46.19 42.66 1c7m s LEU 83 CO 0.00 0.07 0.28 1.55 0.23 0.00 0.00 176.35 178.48 1c7m h PRO 84 N 4.95 0.00 -6.83 1.29 0.13 -1.95 -3.40 132.00 126.19 1c7m h PRO 84 Ca -0.45 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.21 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 0.46 0.19 0.15 -0.23 0.00 0.00 178.00 179.26 1c7m s LYS 85 N -1.95 4.14 0.38 0.86 -0.14 -1.26 -5.00 119.74 116.76 1c7m s LYS 85 Ca -0.11 0.88 0.05 0.00 -1.36 0.00 0.00 55.97 55.43 1c7m s LYS 85 Cb -0.00 -2.41 0.76 0.00 -1.68 0.00 0.00 37.83 34.50 1c7m s LYS 85 CO 0.33 0.12 2.03 0.97 -0.76 0.00 0.00 175.35 178.04 1c7m h ILE 86 N 2.06 1.13 -0.06 2.17 6.09 -1.98 -2.45 117.51 124.47 1c7m h ILE 86 Ca -0.48 -0.28 -0.03 0.00 -1.37 0.00 0.00 64.86 62.69 1c7m h ILE 86 Cb 1.18 0.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 1c7m h ILE 86 CO 0.64 0.14 -0.11 1.05 -3.07 0.00 0.00 178.15 176.79 1c7m h GLU 87 N 0.65 0.09 0.47 2.19 4.11 -1.95 -1.49 114.58 118.65 1c7m h GLU 87 Ca 0.17 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.57 1c7m h GLU 87 Cb -0.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1c7m h GLU 87 CO -0.03 0.21 -0.25 -0.44 0.07 0.00 0.00 179.01 178.57 1c7m h ASP 88 N 0.09 -0.59 -0.33 3.06 3.32 -1.77 -0.40 116.42 119.80 1c7m h ASP 88 Ca 0.02 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1c7m h ASP 88 Cb 0.26 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1c7m h ASP 88 CO 0.02 -0.41 -0.01 0.08 -1.72 0.00 0.00 179.24 177.20 1c7m h ARG 89 N -0.66 0.60 -0.95 3.56 -0.00 -1.64 -2.77 114.38 112.52 1c7m h ARG 89 Ca -0.06 -0.20 0.04 0.00 -0.00 0.00 0.00 59.98 59.77 1c7m h ARG 89 Cb 0.52 -0.05 -0.06 0.00 -0.00 0.00 0.00 29.97 30.38 1c7m h ARG 89 CO 0.09 0.73 0.62 0.00 -0.00 0.00 0.00 179.97 181.41 1c7m h ALA 90 N 0.85 1.40 -0.06 0.08 0.00 -1.30 0.14 119.26 120.37 1c7m h ALA 90 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1c7m h ALA 90 Cb 0.47 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1c7m h ALA 90 CO 0.02 0.49 0.04 -0.91 0.00 0.00 0.00 179.25 178.89 1c7m h ASN 91 N 1.18 0.07 -0.66 0.00 2.35 -0.58 -1.66 115.58 116.29 1c7m h ASN 91 Ca 0.39 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 1c7m h ASN 91 Cb 0.05 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1c7m h ASN 91 CO -0.13 0.08 0.38 0.25 -1.65 0.00 0.00 177.43 176.37 1c7m h LEU 92 N 0.06 0.80 -0.48 1.61 6.46 -1.31 -1.45 115.31 121.00 1c7m h LEU 92 Ca 0.02 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1c7m h LEU 92 Cb 0.02 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 1c7m h LEU 92 CO -0.00 0.64 0.30 0.40 -0.62 0.00 0.00 178.44 179.16 1c7m h ILE 93 N 0.90 1.09 -0.52 4.05 2.04 -0.76 -0.07 117.51 124.23 1c7m h ILE 93 Ca 0.23 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1c7m h ILE 93 Cb -0.00 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 1c7m h ILE 93 CO -0.04 0.11 0.23 0.00 0.00 0.00 0.00 178.15 178.45 1c7m h ALA 94 N 1.19 0.65 -0.25 1.87 0.00 -1.23 -1.04 119.26 120.46 1c7m h ALA 94 Ca 0.18 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1c7m h ALA 94 Cb -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1c7m h ALA 94 CO -0.06 -0.15 -0.25 -0.92 0.00 0.00 0.00 179.25 177.87 1c7m h TYR 95 N 0.44 -0.68 0.00 0.00 3.20 -1.13 -2.40 116.97 116.40 1c7m h TYR 95 Ca 0.24 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1c7m h TYR 95 Cb 0.21 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1c7m h TYR 95 CO -0.13 -0.33 -0.20 -0.07 -1.64 0.00 0.00 178.16 175.79 1c7m h LEU 96 N -0.26 0.00 0.06 2.82 3.38 -0.79 0.25 115.31 120.77 1c7m h LEU 96 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1c7m h LEU 96 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1c7m h LEU 96 CO -0.40 0.20 -0.03 -0.33 0.09 0.00 0.00 178.44 177.97 1c7m h GLU 97 N 0.00 -0.07 0.22 1.13 5.08 -1.17 -3.38 114.58 116.40 1c7m h GLU 97 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1c7m h GLU 97 Cb 0.40 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1c7m h GLU 97 CO 0.03 0.22 -0.11 0.78 -1.00 0.00 0.00 179.01 178.92 1c7m h GLY 98 N -0.36 -0.31 -6.29 -3.84 0.00 -1.25 -3.44 103.07 87.57 1c7m h GLY 98 Ca -0.01 0.12 -0.60 0.00 0.00 0.00 0.00 47.33 46.84 1c7m h GLY 98 CO 0.01 -0.11 0.41 1.62 0.00 0.00 0.00 176.54 178.47 1c7m s GLN 99 N -2.77 3.95 0.00 4.80 0.74 0.88 -5.10 119.66 122.17 1c7m s GLN 99 Ca -0.07 0.58 0.00 0.00 0.05 0.00 0.00 55.36 55.92 1c7m s GLN 99 Cb 0.00 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.38 1c7m s GLN 99 CO 0.23 -0.70 0.40 1.04 -0.55 0.00 0.00 175.29 175.71