#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 2.77 -3.72 3.04 0.00 -1.26 -3.40 120.51 117.93 1c7m n ALA 2 Ca 0.00 -3.62 -0.37 0.00 0.00 0.00 0.00 53.44 49.45 1c7m n ALA 2 Cb 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 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 5.37 0.47 0.00 1.01 -1.26 -4.99 116.67 116.01 1c7m s ASP 3 Ca 0.35 -2.00 0.26 0.00 0.71 0.00 0.00 52.55 51.87 1c7m s ASP 3 Cb 0.15 -1.88 1.08 0.00 1.01 0.00 0.00 42.92 43.28 1c7m s ASP 3 CO -0.11 -0.58 1.89 1.55 0.21 0.00 0.00 175.17 178.13 1c7m h PRO 4 N 8.15 0.00 0.00 8.23 0.13 -1.88 -1.61 132.00 145.03 1c7m h PRO 4 Ca -0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.93 1c7m h PRO 4 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1c7m h PRO 4 CO 0.74 0.18 -0.22 0.00 -0.23 0.00 0.00 178.00 178.48 1c7m h ALA 5 N 1.82 1.47 0.07 -0.56 0.00 -1.94 -1.68 119.26 118.44 1c7m h ALA 5 Ca -0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 1c7m h ALA 5 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1c7m h ALA 5 CO 0.02 0.27 -1.10 0.00 0.00 0.00 0.00 179.25 178.44 1c7m h ALA 6 N 1.78 0.24 0.00 0.00 0.00 -1.82 -3.38 119.26 116.08 1c7m h ALA 6 Ca -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1c7m h ALA 6 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1c7m h ALA 6 CO 0.03 0.94 -0.13 0.78 0.00 0.00 0.00 179.25 180.86 1c7m h GLY 7 N 1.61 0.00 1.01 0.00 0.00 -1.15 -3.14 103.07 101.39 1c7m h GLY 7 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1c7m h GLY 7 CO 0.18 0.00 0.07 1.05 0.00 0.00 0.00 176.54 177.84 1c7m h GLU 8 N 0.00 0.90 -0.11 4.80 -0.00 -1.48 0.20 114.58 118.87 1c7m h GLU 8 Ca -0.00 -0.25 -0.15 0.00 -0.00 0.00 0.00 59.36 58.96 1c7m h GLU 8 Cb 0.50 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 29.14 1c7m h GLU 8 CO 0.02 0.89 -0.57 1.57 -0.00 0.00 0.00 179.01 180.91 1c7m h LYS 9 N 0.78 0.36 -0.64 1.06 2.10 -1.78 -2.41 116.57 116.04 1c7m h LYS 9 Ca 0.16 -0.24 -0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1c7m h LYS 9 Cb 0.44 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.76 1c7m h LYS 9 CO 0.01 0.83 0.40 0.28 -2.00 0.00 0.00 179.45 178.98 1c7m h VAL 10 N 0.27 1.18 -0.01 0.07 2.07 -1.55 -2.93 116.25 115.36 1c7m h VAL 10 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1c7m h VAL 10 Cb 1.09 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1c7m h VAL 10 CO 0.10 0.18 0.03 0.15 0.02 0.00 0.00 177.57 178.05 1c7m h PHE 11 N 0.87 0.00 -0.83 1.57 3.57 -0.85 -2.51 116.94 118.75 1c7m h PHE 11 Ca 0.23 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.97 1c7m h PHE 11 Cb -0.05 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1c7m h PHE 11 CO -0.02 0.00 0.60 0.78 -2.23 0.00 0.00 178.31 177.44 1c7m h GLY 12 N 0.00 0.02 1.03 2.40 0.00 -1.23 -0.38 103.07 104.91 1c7m h GLY 12 Ca 0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1c7m h GLY 12 CO -0.00 -0.00 -0.00 0.50 0.00 0.00 0.00 176.54 177.04 1c7m h LYS 13 N 0.01 0.93 -0.03 4.80 1.57 -1.60 -3.37 116.57 118.88 1c7m h LYS 13 Ca 0.40 -0.30 -0.25 0.00 -1.87 0.00 0.00 60.65 58.63 1c7m h LYS 13 Cb 1.57 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 33.82 1c7m h LYS 13 CO -0.01 0.95 -0.94 0.00 -0.57 0.00 0.00 179.45 178.89 1c7m h LYS 15 N 0.37 0.00 -0.41 0.00 2.10 -1.26 -0.67 116.57 116.69 1c7m h LYS 15 Ca -0.11 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.52 1c7m h LYS 15 Cb 1.59 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.90 1c7m h LYS 15 CO 0.19 0.01 0.14 0.00 -2.00 0.00 0.00 179.45 177.79 1c7m h ALA 16 N 1.99 1.48 0.01 0.07 0.00 -1.78 -3.35 119.26 117.68 1c7m h ALA 16 Ca -0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.44 1c7m h ALA 16 Cb 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1c7m h ALA 16 CO 0.00 0.39 -1.87 0.00 0.00 0.00 0.00 179.25 177.77 1c7m s HIS 18 N -2.45 3.56 0.33 0.00 3.76 -0.32 -1.05 115.29 119.13 1c7m s HIS 18 Ca -0.32 0.49 0.07 0.00 -0.15 0.00 0.00 55.06 55.14 1c7m s HIS 18 Cb 0.09 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 1c7m s HIS 18 CO 0.58 0.71 0.44 0.15 -0.85 0.00 0.00 174.74 175.77 1c7m s LYS 19 N -1.10 3.08 -0.14 1.40 1.02 -1.23 -4.23 119.74 118.54 1c7m s LYS 19 Ca 0.16 -1.04 0.13 0.00 0.02 0.00 0.00 55.97 55.24 1c7m s LYS 19 Cb -0.12 -2.78 -0.24 0.00 -0.52 0.00 0.00 37.83 34.17 1c7m s LYS 19 CO 0.05 0.09 0.29 1.28 -0.92 0.00 0.00 175.35 176.14 1c7m n LEU 20 N -1.59 0.77 -3.80 3.17 4.77 -1.26 -1.76 117.00 117.29 1c7m n LEU 20 Ca -0.01 0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1c7m n LEU 20 Cb 0.58 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1c7m n LEU 20 CO 0.42 0.52 1.98 0.47 -1.33 0.00 0.00 177.39 179.45 1c7m n ASP 21 N -2.96 5.76 0.00 -1.43 8.00 -1.26 -4.19 116.55 120.48 1c7m n ASP 21 Ca -0.28 -3.14 0.00 0.00 0.71 0.00 0.00 54.79 52.08 1c7m n ASP 21 Cb 1.10 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 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 2.45 1.34 3.90 0.44 0.00 -1.26 -4.94 105.19 107.12 1c7m n GLY 22 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 5.91 0.00 1.61 0.01 -1.26 -4.88 114.94 116.33 1c7m s ASN 23 Ca 0.00 0.97 0.00 0.00 -0.71 0.00 0.00 52.86 53.12 1c7m s ASN 23 Cb 0.00 -2.06 0.00 0.00 0.41 0.00 0.00 41.25 39.60 1c7m s ASN 23 CO 0.00 -0.91 0.00 0.47 -1.51 0.00 0.00 177.10 175.15 1c7m n ASP 24 N -2.57 0.00 0.00 -1.22 8.00 -1.26 -4.44 116.55 115.06 1c7m n ASP 24 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1c7m n ASP 24 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 2.81 1.17 0.07 0.44 0.00 -1.26 -3.58 105.19 104.84 1c7m n GLY 25 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 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 1.42 -3.19 1.61 0.31 -1.03 -5.00 118.33 112.44 1c7m n VAL 26 Ca 0.00 0.21 -0.35 0.00 -0.01 0.00 0.00 64.34 64.19 1c7m n VAL 26 Cb 0.00 -2.39 -0.06 0.00 -0.91 0.00 0.00 33.84 30.48 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 -4.26 2.49 0.38 2.92 0.00 -0.21 -4.99 107.32 103.66 1c7m s GLY 27 Ca -0.15 0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.35 1c7m s GLY 27 CO 0.23 0.33 1.20 2.56 0.00 0.00 0.00 173.10 177.42 1c7m s PRO 28 N -2.25 4.11 0.26 2.90 0.04 -1.26 -4.35 135.00 134.45 1c7m s PRO 28 Ca 0.44 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 1c7m s PRO 28 Cb -0.14 -2.77 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 1c7m s PRO 28 CO 0.20 -0.29 1.46 -3.38 0.04 0.00 0.00 177.00 175.02 1c7m s HIS 29 N -1.34 2.98 -0.76 0.56 -3.43 -1.26 -4.78 115.29 107.25 1c7m s HIS 29 Ca 0.55 1.01 0.17 0.00 -0.80 0.00 0.00 55.06 55.99 1c7m s HIS 29 Cb -0.33 -3.85 0.74 0.00 -1.43 0.00 0.00 32.58 27.71 1c7m s HIS 29 CO 0.42 -2.77 1.66 1.28 -2.00 0.00 0.00 174.74 173.33 1c7m n LEU 30 N 2.22 5.03 -4.55 5.38 4.77 -0.72 -4.87 117.00 124.26 1c7m n LEU 30 Ca 0.07 -2.64 -0.32 0.00 -0.03 0.00 0.00 56.01 53.08 1c7m n LEU 30 Cb 0.40 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1c7m n LEU 30 CO 0.61 0.74 1.77 0.54 -1.33 0.00 0.00 177.39 179.72 1c7m s ASN 31 N -0.94 4.53 -0.80 -1.43 2.20 -1.26 -1.85 114.94 115.38 1c7m s ASN 31 Ca 0.51 0.67 -0.05 0.00 -0.94 0.00 0.00 52.86 53.05 1c7m s ASN 31 Cb 0.36 -2.52 0.01 0.00 -2.00 0.00 0.00 41.25 37.10 1c7m s ASN 31 CO 0.21 -2.96 0.66 0.61 -2.94 0.00 0.00 177.10 172.68 1c7m n GLY 32 N 6.13 0.07 0.27 0.45 0.00 -1.26 -4.99 105.19 105.87 1c7m n GLY 32 Ca 0.36 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.51 1.07 -2.22 1.61 3.04 -1.64 -3.27 116.25 113.33 1c7m h VAL 33 Ca -0.33 -0.22 -0.52 0.00 -1.01 0.00 0.00 66.70 64.62 1c7m h VAL 33 Cb 1.22 0.85 -0.03 0.00 -2.01 0.00 0.00 31.29 31.31 1c7m h VAL 33 CO 0.33 0.09 1.33 -0.69 -1.01 0.00 0.00 177.57 177.61 1c7m s VAL 34 N -5.17 3.41 0.00 1.51 1.01 -1.26 -1.53 120.40 118.37 1c7m s VAL 34 Ca -0.06 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1c7m s VAL 34 Cb 0.17 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1c7m s VAL 34 CO 0.70 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1c7m n GLY 35 N 5.60 0.66 3.86 4.51 0.00 0.24 -4.99 105.19 115.08 1c7m n GLY 35 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.73 3.85 0.77 1.61 3.52 -0.58 -4.84 118.95 122.55 1c7m s ARG 36 Ca 0.00 0.65 -0.15 0.00 -0.13 0.00 0.00 55.73 56.10 1c7m s ARG 36 Cb 0.00 -2.30 0.01 0.00 -1.56 0.00 0.00 34.95 31.10 1c7m s ARG 36 CO 0.00 -0.11 0.80 -2.37 -0.81 0.00 0.00 175.30 172.81 1c7m n THR 37 N -1.34 1.95 -2.53 4.11 5.66 -1.26 -0.36 114.28 120.50 1c7m n THR 37 Ca 0.04 -0.32 -0.43 0.00 -3.05 0.00 0.00 64.05 60.29 1c7m n THR 37 Cb 0.54 -0.94 -0.02 0.00 -1.55 0.00 0.00 70.33 68.36 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 -1.98 4.46 -0.27 1.08 1.01 -0.54 -4.28 120.40 119.87 1c7m s VAL 38 Ca 0.69 1.76 -0.08 0.00 0.00 0.00 0.00 61.98 64.34 1c7m s VAL 38 Cb -0.32 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1c7m s VAL 38 CO 0.55 -0.12 0.36 0.00 0.00 0.00 0.00 175.10 175.89 1c7m n ALA 39 N 6.18 -2.93 -2.65 5.51 0.00 -1.26 -3.27 120.51 122.10 1c7m n ALA 39 Ca 0.12 0.63 0.01 0.00 0.00 0.00 0.00 53.44 54.20 1c7m n ALA 39 Cb 0.46 -2.11 0.02 0.00 0.00 0.00 0.00 19.45 17.82 1c7m n ALA 39 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1c7m s GLY 40 N -2.00 -1.72 -0.18 0.00 0.00 -1.26 -4.93 107.32 97.23 1c7m s GLY 40 Ca 0.13 1.39 -0.23 0.00 0.00 0.00 0.00 44.72 46.01 1c7m s GLY 40 CO 0.45 4.47 0.61 0.54 0.00 0.00 0.00 173.10 179.17 1c7m s VAL 41 N 1.77 0.00 0.00 1.40 0.11 -1.26 -4.82 120.40 117.61 1c7m s VAL 41 Ca 0.16 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1c7m s VAL 41 Cb 0.07 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1c7m s VAL 41 CO -0.16 -0.02 0.00 -0.67 -3.33 0.00 0.00 175.10 170.92 1c7m n ASP 42 N 2.24 -1.28 -1.89 3.54 2.03 -1.26 -2.48 116.55 117.46 1c7m n ASP 42 Ca -0.15 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.99 1c7m n ASP 42 Cb 0.56 0.00 0.04 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 4.10 3.60 0.27 0.00 -1.26 -4.98 105.19 106.92 1c7m n GLY 43 Ca 0.00 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.85 3.23 -0.16 1.61 2.19 -1.03 -5.07 117.98 116.90 1c7m s PHE 44 Ca 0.31 0.53 -0.24 0.00 0.33 0.00 0.00 56.93 57.86 1c7m s PHE 44 Cb 0.25 -2.84 -0.02 0.00 -1.31 0.00 0.00 43.02 39.10 1c7m s PHE 44 CO -0.00 -0.39 0.78 1.21 1.83 0.00 0.00 175.22 178.65 1c7m s ASN 45 N 1.62 6.91 0.63 6.13 2.47 -1.26 -4.71 114.94 126.73 1c7m s ASN 45 Ca 0.22 1.11 0.04 0.00 0.42 0.00 0.00 52.86 54.65 1c7m s ASN 45 Cb -0.15 -2.43 0.10 0.00 -1.45 0.00 0.00 41.25 37.31 1c7m s ASN 45 CO 0.11 -0.34 0.87 -0.31 -3.72 0.00 0.00 177.10 173.71 1c7m s TYR 46 N 1.95 1.70 0.78 0.43 1.51 -1.26 -5.12 117.35 117.34 1c7m s TYR 46 Ca 0.36 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.89 1c7m s TYR 46 Cb -0.17 -2.64 0.06 0.00 -0.11 0.00 0.00 41.96 39.10 1c7m s TYR 46 CO 0.13 -1.35 1.09 -1.54 -1.11 0.00 0.00 175.55 172.76 1c7m s SER 47 N -4.66 4.52 0.18 2.29 1.04 -1.26 -4.86 113.70 110.94 1c7m s SER 47 Ca 0.63 1.74 -0.13 0.00 0.48 0.00 0.00 55.95 58.66 1c7m s SER 47 Cb -0.06 -2.46 0.13 0.00 0.10 0.00 0.00 66.02 63.72 1c7m s SER 47 CO 0.41 -2.01 1.78 -0.78 0.98 0.00 0.00 173.24 173.62 1c7m h ASP 48 N -1.11 0.32 1.07 7.02 1.82 -1.99 -1.10 116.42 122.45 1c7m h ASP 48 Ca -0.44 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.19 1c7m h ASP 48 Cb 1.23 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 1c7m h ASP 48 CO 0.53 0.22 -0.17 1.55 -1.61 0.00 0.00 179.24 179.76 1c7m h PRO 49 N 0.45 0.00 0.25 0.28 0.13 -1.85 -0.58 132.00 130.68 1c7m h PRO 49 Ca 0.22 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.35 1c7m h PRO 49 Cb 0.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.24 1c7m h PRO 49 CO -0.16 0.17 -0.33 0.52 -0.23 0.00 0.00 178.00 177.96 1c7m h MET 50 N 0.00 -0.61 -0.29 0.86 2.86 -1.77 -2.95 114.93 113.03 1c7m h MET 50 Ca -0.00 0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.54 1c7m h MET 50 Cb 0.75 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1c7m h MET 50 CO 0.02 -0.41 -0.40 0.87 1.06 0.00 0.00 176.91 178.05 1c7m h LYS 51 N -0.64 0.70 0.00 1.72 1.57 -1.09 -2.93 116.57 115.90 1c7m h LYS 51 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1c7m h LYS 51 Cb 0.61 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1c7m h LYS 51 CO -0.12 0.98 0.00 0.00 -0.57 0.00 0.00 179.45 179.74 1c7m h ALA 52 N 0.98 1.00 0.29 3.86 0.00 -1.24 -3.31 119.26 120.84 1c7m h ALA 52 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1c7m h ALA 52 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1c7m h ALA 52 CO 0.09 0.00 -0.14 1.25 0.00 0.00 0.00 179.25 180.45 1c7m h HIS 53 N 0.00 -0.36 0.00 0.00 6.17 -1.33 -3.49 115.15 116.14 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 0.24 0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.29 1c7m h HIS 53 CO 0.00 -0.22 0.00 0.41 0.71 0.00 0.00 177.93 178.83 1c7m n GLY 54 N 0.08 2.16 7.00 5.26 0.00 -1.20 -4.92 105.19 113.56 1c7m n GLY 54 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 3.14 3.34 -0.02 0.00 -1.26 -1.47 105.19 108.93 1c7m n GLY 55 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.35 -1.01 1.61 1.01 -1.26 -4.19 116.67 108.48 1c7m s ASP 56 Ca 0.00 0.22 -0.22 0.00 0.71 0.00 0.00 52.55 53.26 1c7m s ASP 56 Cb 0.00 0.41 0.07 0.00 1.01 0.00 0.00 42.92 44.41 1c7m s ASP 56 CO 0.00 -0.57 1.40 0.26 0.21 0.00 0.00 175.17 176.47 1c7m s TRP 57 N -1.71 2.65 0.62 4.23 0.23 0.51 -4.69 118.94 120.77 1c7m s TRP 57 Ca -0.10 -0.97 -0.14 0.00 -2.03 0.00 0.00 56.10 52.85 1c7m s TRP 57 Cb -0.02 -4.62 -0.03 0.00 0.03 0.00 0.00 33.47 28.83 1c7m s TRP 57 CO 0.03 -1.85 1.06 0.95 0.96 0.00 0.00 176.95 178.10 1c7m s THR 58 N 4.51 3.88 -2.00 2.01 -4.23 -1.26 -0.59 115.64 117.96 1c7m s THR 58 Ca 0.44 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.76 1c7m s THR 58 Cb -0.01 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1c7m s THR 58 CO -0.09 -0.60 0.22 -0.81 -0.54 0.00 0.00 174.62 172.80 1c7m n PRO 59 N -2.30 0.22 -0.00 3.99 -0.04 -1.26 -1.61 135.00 134.00 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 -1.00 -0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.50 0.01 -0.33 0.54 1.02 -1.26 -4.35 120.64 115.77 1c7m n GLU 60 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.18 1c7m n GLU 60 Cb 0.00 -0.77 0.18 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.01 1.30 -0.51 0.62 0.00 -1.93 -1.83 119.26 116.90 1c7m h ALA 61 Ca -0.01 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1c7m h ALA 61 Cb 1.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1c7m h ALA 61 CO -0.00 0.24 0.34 -0.07 0.00 0.00 0.00 179.25 179.76 1c7m h LEU 62 N 0.96 0.43 -0.47 0.00 3.38 -1.59 -0.31 115.31 117.71 1c7m h LEU 62 Ca 0.42 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.32 1c7m h LEU 62 Cb 0.31 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1c7m h LEU 62 CO -0.22 0.29 0.04 1.56 0.09 0.00 0.00 178.44 180.20 1c7m h GLN 63 N 0.50 0.81 -0.15 1.13 4.20 -1.54 0.25 115.11 120.30 1c7m h GLN 63 Ca 0.22 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1c7m h GLN 63 Cb 0.23 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1c7m h GLN 63 CO -0.06 0.84 -0.00 0.93 -0.67 0.00 0.00 178.83 179.87 1c7m h GLU 64 N 0.66 0.27 -0.14 1.46 5.08 -1.42 -2.49 114.58 118.00 1c7m h GLU 64 Ca 0.14 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1c7m h GLU 64 Cb 0.45 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1c7m h GLU 64 CO 0.02 0.50 0.07 0.35 -1.00 0.00 0.00 179.01 178.94 1c7m h PHE 65 N 0.01 0.19 0.00 4.33 3.57 -1.08 -1.78 116.94 122.17 1c7m h PHE 65 Ca 0.04 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1c7m h PHE 65 Cb 0.38 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1c7m h PHE 65 CO 0.03 0.22 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.18 1c7m h LEU 66 N 0.11 0.00 -0.27 0.59 3.38 -0.61 -1.14 115.31 117.37 1c7m h LEU 66 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1c7m h LEU 66 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1c7m h LEU 66 CO -0.01 0.09 -0.16 0.74 0.09 0.00 0.00 178.44 179.19 1c7m h THR 67 N 0.00 1.30 -1.86 0.22 2.02 -1.27 0.38 112.91 113.70 1c7m h THR 67 Ca -0.00 -1.27 -0.38 0.00 0.77 0.00 0.00 66.41 65.53 1c7m h THR 67 Cb 0.20 1.55 -0.30 0.00 -1.74 0.00 0.00 68.15 67.86 1c7m h THR 67 CO 0.01 0.40 -0.72 0.20 0.37 0.00 0.00 175.52 175.78 1c7m s ASN 68 N -6.30 0.67 0.19 4.18 0.01 -0.69 -4.09 114.94 108.91 1c7m s ASN 68 Ca -0.13 -2.02 -0.12 0.00 -0.71 0.00 0.00 52.86 49.88 1c7m s ASN 68 Cb 0.08 0.58 0.15 0.00 0.41 0.00 0.00 41.25 42.47 1c7m s ASN 68 CO 0.79 -0.19 1.80 -0.65 -1.51 0.00 0.00 177.10 177.34 1c7m h PRO 69 N 6.25 0.56 0.00 -0.60 0.11 -1.45 -2.14 132.00 134.74 1c7m h PRO 69 Ca 0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1c7m h PRO 69 Cb 1.03 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1c7m h PRO 69 CO 0.20 0.37 0.00 0.87 -0.21 0.00 0.00 178.00 179.24 1c7m h LYS 70 N 0.58 0.00 -0.06 1.05 1.57 -1.87 -1.71 116.57 116.12 1c7m h LYS 70 Ca 0.24 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.85 1c7m h LYS 70 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1c7m h LYS 70 CO -0.14 0.00 -0.62 0.00 -0.57 0.00 0.00 179.45 178.11 1c7m h ALA 71 N 2.18 0.16 0.04 3.86 0.00 -1.77 -3.11 119.26 120.62 1c7m h ALA 71 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1c7m h ALA 71 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1c7m h ALA 71 CO 0.00 0.43 -0.02 0.28 0.00 0.00 0.00 179.25 179.94 1c7m h VAL 72 N 0.12 1.17 -3.53 0.00 2.07 -1.55 -3.41 116.25 111.12 1c7m h VAL 72 Ca -0.06 -1.67 -0.73 0.00 0.82 0.00 0.00 66.70 65.06 1c7m h VAL 72 Cb 1.29 2.13 -0.31 0.00 -1.52 0.00 0.00 31.29 32.87 1c7m h VAL 72 CO 0.13 0.36 -0.26 -0.69 0.02 0.00 0.00 177.57 177.13 1c7m s VAL 73 N -2.58 4.33 -0.45 2.57 1.01 -0.65 -5.07 120.40 119.57 1c7m s VAL 73 Ca -0.13 -2.43 -0.28 0.00 0.00 0.00 0.00 61.98 59.14 1c7m s VAL 73 Cb -0.01 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1c7m s VAL 73 CO 0.50 -0.88 1.65 -1.59 0.00 0.00 0.00 175.10 174.78 1c7m s LYS 74 N 0.50 3.24 0.00 2.72 0.00 -1.18 -2.38 119.74 122.64 1c7m s LYS 74 Ca 0.13 0.97 0.00 0.00 0.00 0.00 0.00 55.97 57.07 1c7m s LYS 74 Cb -0.20 -4.18 0.00 0.00 0.00 0.00 0.00 37.83 33.45 1c7m s LYS 74 CO -0.04 -1.98 0.00 0.41 0.00 0.00 0.00 175.35 173.74 1c7m n GLY 75 N 5.37 0.97 3.73 0.59 0.00 -1.26 -4.75 105.19 109.84 1c7m n GLY 75 Ca 0.19 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 4.51 -2.00 2.61 -1.32 -1.00 -4.59 115.64 111.53 1c7m s THR 76 Ca 0.00 1.98 0.01 0.00 -1.21 0.00 0.00 61.69 62.47 1c7m s THR 76 Cb 0.00 -4.28 0.04 0.00 -1.51 0.00 0.00 72.50 66.75 1c7m s THR 76 CO 0.00 0.35 0.46 0.29 -2.21 0.00 0.00 174.62 173.51 1c7m n LYS 77 N 2.65 0.38 -2.71 7.08 4.01 -1.26 -4.75 118.16 123.55 1c7m n LYS 77 Ca 0.01 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.38 1c7m n LYS 77 Cb 0.49 -1.05 -0.03 0.00 -0.51 0.00 0.00 35.03 33.92 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1c7m s MET 78 N -2.00 3.41 -1.35 1.97 1.75 -1.26 -4.97 119.30 116.85 1c7m s MET 78 Ca 0.02 -0.03 -0.15 0.00 -1.25 0.00 0.00 55.69 54.28 1c7m s MET 78 Cb 0.01 -4.04 0.01 0.00 2.84 0.00 0.00 34.83 33.65 1c7m s MET 78 CO 0.02 -1.59 2.19 0.00 -0.65 0.00 0.00 175.02 174.98 1c7m n ALA 79 N 7.95 5.21 -3.69 4.11 0.00 -1.26 -4.88 120.51 127.95 1c7m n ALA 79 Ca 0.05 -3.79 -0.18 0.00 0.00 0.00 0.00 53.44 49.52 1c7m n ALA 79 Cb 0.48 -3.55 -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 3.47 0.41 0.08 0.00 5.36 -1.26 -5.08 117.98 120.96 1c7m s PHE 80 Ca 0.49 -0.05 -0.11 0.00 -0.96 0.00 0.00 56.93 56.30 1c7m s PHE 80 Cb 0.14 -0.47 -0.24 0.00 -0.34 0.00 0.00 43.02 42.11 1c7m s PHE 80 CO -0.06 -0.14 1.16 0.00 -1.46 0.00 0.00 175.22 174.71 1c7m h ALA 81 N 7.24 0.10 0.00 11.12 0.00 -1.95 -3.41 119.26 132.36 1c7m h ALA 81 Ca -0.41 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1c7m h ALA 81 Cb 1.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1c7m h ALA 81 CO 0.47 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.89 1c7m n GLY 82 N 1.29 4.52 3.65 0.00 0.00 -1.26 -4.51 105.19 108.90 1c7m n GLY 82 Ca -0.11 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 4.10 -0.03 0.99 1.43 0.13 -4.95 118.68 120.36 1c7m s LEU 83 Ca 0.00 1.20 -0.14 0.00 -1.03 0.00 0.00 54.13 54.16 1c7m s LEU 83 Cb 0.00 -3.34 -0.32 0.00 0.03 0.00 0.00 46.19 42.56 1c7m s LEU 83 CO 0.00 -0.56 0.78 1.55 0.23 0.00 0.00 176.35 178.35 1c7m h PRO 84 N 7.53 0.42 -6.51 1.29 0.13 -1.91 -3.39 132.00 129.56 1c7m h PRO 84 Ca -0.22 -0.71 -0.53 0.00 -0.87 0.00 0.00 66.00 63.67 1c7m h PRO 84 Cb 1.09 0.27 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 1c7m h PRO 84 CO 0.91 1.34 0.04 0.15 -0.23 0.00 0.00 178.00 180.21 1c7m s LYS 85 N -2.56 4.13 0.37 0.86 1.02 -1.26 -5.01 119.74 117.29 1c7m s LYS 85 Ca -0.14 0.71 0.09 0.00 0.02 0.00 0.00 55.97 56.65 1c7m s LYS 85 Cb 0.04 -2.84 0.83 0.00 -0.52 0.00 0.00 37.83 35.34 1c7m s LYS 85 CO 0.87 0.39 1.90 0.97 -0.92 0.00 0.00 175.35 178.56 1c7m h ILE 86 N 2.65 0.88 -0.38 2.17 6.09 -2.00 -2.16 117.51 124.77 1c7m h ILE 86 Ca -0.48 -0.23 -0.02 0.00 -1.37 0.00 0.00 64.86 62.75 1c7m h ILE 86 Cb 1.19 0.15 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 1c7m h ILE 86 CO 0.65 0.12 0.13 -0.33 -3.07 0.00 0.00 178.15 175.65 1c7m h GLU 87 N 0.67 0.54 0.50 2.19 3.07 -1.94 -2.43 114.58 117.17 1c7m h GLU 87 Ca 0.40 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 1c7m h GLU 87 Cb 0.61 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1c7m h GLU 87 CO -0.16 0.47 -0.24 -0.44 -1.40 0.00 0.00 179.01 177.23 1c7m h ASP 88 N 0.53 -0.57 -0.43 1.42 3.32 -1.78 -1.61 116.42 117.30 1c7m h ASP 88 Ca 0.13 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1c7m h ASP 88 Cb 0.15 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1c7m h ASP 88 CO -0.01 -0.26 0.10 0.08 -1.72 0.00 0.00 179.24 177.43 1c7m h ARG 89 N -0.89 0.69 -0.25 3.56 -0.00 -1.67 -2.04 114.38 113.78 1c7m h ARG 89 Ca -0.07 -0.17 0.02 0.00 -0.00 0.00 0.00 59.98 59.76 1c7m h ARG 89 Cb 0.60 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 30.45 1c7m h ARG 89 CO 0.11 0.70 0.10 0.00 -0.00 0.00 0.00 179.97 180.89 1c7m h ALA 90 N 0.96 0.29 -0.58 0.08 0.00 -1.52 -0.31 119.26 118.18 1c7m h ALA 90 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1c7m h ALA 90 Cb 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1c7m h ALA 90 CO 0.00 -0.30 0.27 -0.91 0.00 0.00 0.00 179.25 178.31 1c7m h ASN 91 N 0.23 0.77 -0.56 0.00 2.35 -1.30 -2.04 115.58 115.02 1c7m h ASN 91 Ca 0.11 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1c7m h ASN 91 Cb 0.06 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 1c7m h ASN 91 CO -0.09 0.69 0.28 0.25 -1.65 0.00 0.00 177.43 176.91 1c7m h LEU 92 N 0.79 0.40 -0.77 1.61 7.12 -1.35 -1.79 115.31 121.31 1c7m h LEU 92 Ca 0.20 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.25 1c7m h LEU 92 Cb 0.13 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.19 1c7m h LEU 92 CO -0.02 0.27 0.50 0.40 -0.13 0.00 0.00 178.44 179.46 1c7m h ILE 93 N 0.54 1.20 -0.62 4.05 2.04 -0.96 -0.14 117.51 123.61 1c7m h ILE 93 Ca 0.25 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.78 1c7m h ILE 93 Cb 0.18 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 1c7m h ILE 93 CO -0.18 0.20 0.33 0.00 0.00 0.00 0.00 178.15 178.50 1c7m h ALA 94 N 1.28 0.82 -0.18 1.87 0.00 -1.29 -0.61 119.26 121.14 1c7m h ALA 94 Ca 0.28 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1c7m h ALA 94 Cb -0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1c7m h ALA 94 CO -0.06 0.00 -0.16 -0.92 0.00 0.00 0.00 179.25 178.11 1c7m h TYR 95 N 0.62 -0.41 -0.22 0.00 5.03 -1.10 -1.76 116.97 119.14 1c7m h TYR 95 Ca 0.28 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 1c7m h TYR 95 Cb 0.18 0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 1c7m h TYR 95 CO -0.09 -0.23 0.07 -0.07 -1.32 0.00 0.00 178.16 176.52 1c7m h LEU 96 N -0.18 0.27 -0.11 2.82 3.38 -0.83 0.12 115.31 120.78 1c7m h LEU 96 Ca 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1c7m h LEU 96 Cb 0.35 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1c7m h LEU 96 CO -0.29 0.26 -0.03 -0.33 0.09 0.00 0.00 178.44 178.14 1c7m h GLU 97 N 0.30 0.22 0.12 1.13 5.08 -1.08 -3.29 114.58 117.07 1c7m h GLU 97 Ca 0.08 -0.09 -0.24 0.00 -1.00 0.00 0.00 59.36 58.11 1c7m h GLU 97 Cb 0.09 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1c7m h GLU 97 CO -0.01 0.53 -1.19 0.78 -1.00 0.00 0.00 179.01 178.13 1c7m h GLY 98 N -0.10 0.30 0.63 -3.84 0.00 -1.17 -3.41 103.07 95.48 1c7m h GLY 98 Ca 0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1c7m h GLY 98 CO 0.01 0.67 -0.09 -1.61 0.00 0.00 0.00 176.54 175.53 1c7m h GLN 99 N -0.34 -0.23 0.00 4.80 5.75 -0.98 -3.51 115.11 120.59 1c7m h GLN 99 Ca -0.25 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 1c7m h GLN 99 Cb 1.71 0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.31 1c7m h GLN 99 CO 0.09 0.11 0.00 0.00 -2.65 0.00 0.00 178.83 176.38