#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 3.37 -3.36 3.04 0.00 -1.26 -3.15 120.51 119.15 1c7m n ALA 2 Ca 0.00 -4.19 -0.40 0.00 0.00 0.00 0.00 53.44 48.85 1c7m n ALA 2 Cb 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.42 5.64 0.33 0.00 1.01 -1.26 -4.92 116.67 116.04 1c7m s ASP 3 Ca 0.32 -1.61 0.12 0.00 0.71 0.00 0.00 52.55 52.09 1c7m s ASP 3 Cb 0.05 -1.99 0.56 0.00 1.01 0.00 0.00 42.92 42.55 1c7m s ASP 3 CO -0.13 -0.57 1.73 1.55 0.21 0.00 0.00 175.17 177.96 1c7m h PRO 4 N 8.40 0.00 -0.48 8.23 0.13 -1.88 -1.99 132.00 144.41 1c7m h PRO 4 Ca -0.22 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1c7m h PRO 4 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1c7m h PRO 4 CO 0.78 0.48 0.09 0.00 -0.23 0.00 0.00 178.00 179.12 1c7m h ALA 5 N 1.52 1.26 0.00 -0.56 0.00 -1.95 -2.43 119.26 117.09 1c7m h ALA 5 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1c7m h ALA 5 Cb 0.87 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1c7m h ALA 5 CO 0.06 0.51 -0.31 0.00 0.00 0.00 0.00 179.25 179.51 1c7m h ALA 6 N 1.39 1.19 -0.29 0.00 0.00 -1.88 -3.34 119.26 116.33 1c7m h ALA 6 Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1c7m h ALA 6 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1c7m h ALA 6 CO 0.00 0.39 -0.12 0.78 0.00 0.00 0.00 179.25 180.30 1c7m h GLY 7 N 1.45 0.52 2.00 0.00 0.00 -0.88 -1.96 103.07 104.21 1c7m h GLY 7 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1c7m h GLY 7 CO 0.04 0.33 -0.18 1.05 0.00 0.00 0.00 176.54 177.78 1c7m h GLU 8 N 0.45 0.00 -0.05 4.80 -0.00 -1.62 -0.73 114.58 117.44 1c7m h GLU 8 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.44 1c7m h GLU 8 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.23 1c7m h GLU 8 CO 0.03 0.18 -0.01 0.87 -0.00 0.00 0.00 179.01 180.08 1c7m h LYS 9 N 0.00 0.09 -0.82 1.06 1.57 -1.60 -3.24 116.57 113.62 1c7m h LYS 9 Ca -0.00 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1c7m h LYS 9 Cb 0.35 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1c7m h LYS 9 CO 0.02 0.41 0.54 0.28 -0.57 0.00 0.00 179.45 180.13 1c7m h VAL 10 N -0.25 1.09 -0.25 0.50 2.07 -1.31 -1.95 116.25 116.15 1c7m h VAL 10 Ca 0.01 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1c7m h VAL 10 Cb 0.38 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1c7m h VAL 10 CO 0.00 0.17 0.39 0.15 0.02 0.00 0.00 177.57 178.31 1c7m h PHE 11 N 0.96 0.00 -0.68 1.57 3.57 -1.17 -2.81 116.94 118.38 1c7m h PHE 11 Ca 0.34 0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.03 1c7m h PHE 11 Cb 0.14 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1c7m h PHE 11 CO -0.00 0.00 0.49 0.78 -2.23 0.00 0.00 178.31 177.35 1c7m h GLY 12 N 0.00 0.07 1.71 2.40 0.00 -1.38 0.32 103.07 106.19 1c7m h GLY 12 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 1c7m h GLY 12 CO -0.00 0.00 -0.47 0.50 0.00 0.00 0.00 176.54 176.57 1c7m h LYS 13 N 0.04 0.31 0.10 4.80 1.57 -1.69 -3.35 116.57 118.35 1c7m h LYS 13 Ca 0.33 -0.17 -0.26 0.00 -1.87 0.00 0.00 60.65 58.68 1c7m h LYS 13 Cb 1.25 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1c7m h LYS 13 CO -0.02 0.72 -1.17 0.00 -0.57 0.00 0.00 179.45 178.42 1c7m h LYS 15 N 0.10 0.07 -0.43 0.00 2.10 -1.11 -0.84 116.57 116.47 1c7m h LYS 15 Ca -0.12 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.50 1c7m h LYS 15 Cb 1.87 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 33.17 1c7m h LYS 15 CO 0.19 0.05 0.16 0.00 -2.00 0.00 0.00 179.45 177.85 1c7m h ALA 16 N 1.93 1.48 0.12 0.07 0.00 -1.83 -3.31 119.26 117.73 1c7m h ALA 16 Ca 0.06 -0.12 -0.36 0.00 0.00 0.00 0.00 54.91 54.48 1c7m h ALA 16 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1c7m h ALA 16 CO -0.01 0.40 -1.97 0.00 0.00 0.00 0.00 179.25 177.67 1c7m s HIS 18 N -2.55 2.44 0.07 0.00 3.76 -0.37 -0.73 115.29 117.91 1c7m s HIS 18 Ca -0.23 -0.32 0.09 0.00 -0.15 0.00 0.00 55.06 54.46 1c7m s HIS 18 Cb 0.07 -1.32 -0.03 0.00 1.11 0.00 0.00 32.58 32.40 1c7m s HIS 18 CO 0.76 0.34 -0.25 0.15 -0.85 0.00 0.00 174.74 174.89 1c7m s LYS 19 N -1.98 1.57 -0.13 1.40 -0.14 -1.19 -4.22 119.74 115.05 1c7m s LYS 19 Ca 0.16 -1.14 0.13 0.00 -1.36 0.00 0.00 55.97 53.75 1c7m s LYS 19 Cb -0.10 -1.83 0.61 0.00 -1.68 0.00 0.00 37.83 34.83 1c7m s LYS 19 CO 0.08 0.46 1.47 1.28 -0.76 0.00 0.00 175.35 177.87 1c7m n LEU 20 N 1.52 4.27 -2.98 3.17 4.77 -1.26 -1.37 117.00 125.13 1c7m n LEU 20 Ca -0.17 -2.16 -0.22 0.00 -0.03 0.00 0.00 56.01 53.42 1c7m n LEU 20 Cb 0.53 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1c7m n LEU 20 CO 0.23 0.61 -0.02 0.47 -1.33 0.00 0.00 177.39 177.35 1c7m n ASP 21 N 0.69 2.79 0.00 -1.43 8.00 -1.26 -4.56 116.55 120.78 1c7m n ASP 21 Ca 0.21 -3.34 0.00 0.00 0.71 0.00 0.00 54.79 52.37 1c7m n ASP 21 Cb 0.85 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 -0.04 0.95 3.77 0.44 0.00 -1.26 -4.99 105.19 104.06 1c7m n GLY 22 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 4.54 0.00 1.61 -0.87 -1.26 -4.66 114.94 114.30 1c7m s ASN 23 Ca 0.00 1.75 0.00 0.00 -1.57 0.00 0.00 52.86 53.04 1c7m s ASN 23 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 41.25 38.76 1c7m s ASN 23 CO 0.00 -2.00 0.00 0.47 -2.57 0.00 0.00 177.10 173.00 1c7m n ASP 24 N -3.50 0.00 0.00 -1.22 8.00 -1.26 -3.45 116.55 115.12 1c7m n ASP 24 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1c7m n ASP 24 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 3.09 0.95 0.12 0.44 0.00 -1.26 -3.17 105.19 105.36 1c7m n GLY 25 Ca 0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 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 1.54 -2.36 1.61 0.31 0.09 -5.00 118.33 114.53 1c7m n VAL 26 Ca 0.00 -0.25 -0.24 0.00 -0.01 0.00 0.00 64.34 63.84 1c7m n VAL 26 Cb 0.00 -1.93 0.14 0.00 -0.91 0.00 0.00 33.84 31.14 1c7m n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c7m n GLY 27 N 1.41 -0.05 3.53 2.92 0.00 -0.65 -5.03 105.19 107.32 1c7m n GLY 27 Ca -0.43 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.36 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 -5.23 -1.84 0.41 1.61 0.04 -1.26 -4.60 135.00 124.14 1c7m s PRO 28 Ca 0.66 -0.14 -0.26 0.00 0.04 0.00 0.00 61.00 61.30 1c7m s PRO 28 Cb -0.03 -1.53 -0.08 0.00 0.04 0.00 0.00 34.50 32.90 1c7m s PRO 28 CO 0.44 -4.10 1.28 -3.38 0.04 0.00 0.00 177.00 171.29 1c7m s HIS 29 N -2.88 2.83 -1.80 0.56 -3.43 -1.22 -4.11 115.29 105.23 1c7m s HIS 29 Ca 0.71 1.43 0.17 0.00 -0.80 0.00 0.00 55.06 56.58 1c7m s HIS 29 Cb -0.08 -3.63 0.30 0.00 -1.43 0.00 0.00 32.58 27.74 1c7m s HIS 29 CO 0.56 -2.01 1.22 1.28 -2.00 0.00 0.00 174.74 173.79 1c7m n LEU 30 N 0.04 2.94 -4.66 5.38 4.77 -0.47 -4.92 117.00 120.09 1c7m n LEU 30 Ca 0.04 -1.50 -0.43 0.00 -0.03 0.00 0.00 56.01 54.10 1c7m n LEU 30 Cb 0.44 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1c7m n LEU 30 CO 0.55 0.64 1.11 0.54 -1.33 0.00 0.00 177.39 178.90 1c7m s ASN 31 N -1.22 6.89 -0.23 -1.43 4.22 -1.26 -3.28 114.94 118.63 1c7m s ASN 31 Ca 0.28 1.66 -0.00 0.00 -2.14 0.00 0.00 52.86 52.65 1c7m s ASN 31 Cb 0.17 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.16 1c7m s ASN 31 CO 0.23 -0.82 0.19 0.61 -2.04 0.00 0.00 177.10 175.27 1c7m n GLY 32 N 3.74 0.31 0.10 0.45 0.00 -1.13 -4.99 105.19 103.65 1c7m n GLY 32 Ca 0.14 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1c7m n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1c7m n VAL 33 N -1.66 1.18 -2.32 1.61 3.14 -1.21 -4.52 118.33 114.56 1c7m n VAL 33 Ca -0.05 -0.58 -0.43 0.00 -2.96 0.00 0.00 64.34 60.32 1c7m n VAL 33 Cb 0.53 -0.94 -0.02 0.00 -1.06 0.00 0.00 33.84 32.35 1c7m n VAL 33 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1c7m s VAL 34 N -2.42 3.87 0.00 1.55 1.01 -1.26 -1.60 120.40 121.55 1c7m s VAL 34 Ca -0.19 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1c7m s VAL 34 Cb 0.06 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1c7m s VAL 34 CO 0.58 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1c7m n GLY 35 N 5.11 0.58 3.87 4.51 0.00 0.19 -5.01 105.19 114.44 1c7m n GLY 35 Ca 0.17 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.86 3.84 0.71 1.61 3.52 -0.62 -4.84 118.95 122.30 1c7m s ARG 36 Ca 0.00 0.32 -0.16 0.00 -0.13 0.00 0.00 55.73 55.76 1c7m s ARG 36 Cb 0.00 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 1c7m s ARG 36 CO 0.00 0.38 0.64 -2.37 -0.81 0.00 0.00 175.30 173.14 1c7m n THR 37 N 0.21 2.09 -2.72 4.11 5.66 -1.26 -0.14 114.28 122.22 1c7m n THR 37 Ca -0.02 -0.40 -0.43 0.00 -3.05 0.00 0.00 64.05 60.15 1c7m n THR 37 Cb 0.52 -0.82 -0.03 0.00 -1.55 0.00 0.00 70.33 68.45 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 -1.87 4.61 -0.14 1.08 1.01 -0.13 -4.26 120.40 120.69 1c7m s VAL 38 Ca 0.68 1.66 -0.00 0.00 0.00 0.00 0.00 61.98 64.31 1c7m s VAL 38 Cb -0.36 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.69 1c7m s VAL 38 CO 0.56 -0.37 0.01 0.00 0.00 0.00 0.00 175.10 175.30 1c7m n ALA 39 N 6.60 -3.24 -2.68 5.51 0.00 -1.26 -3.24 120.51 122.20 1c7m n ALA 39 Ca 0.10 0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.76 1c7m n ALA 39 Cb 0.47 -0.55 0.07 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 0.35 -1.42 2.75 0.00 0.00 -1.26 -4.95 105.19 100.66 1c7m n GLY 40 Ca -0.01 0.87 -0.19 0.00 0.00 0.00 0.00 46.02 46.68 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 0.28 -0.23 -0.58 1.61 1.01 -1.26 -4.95 120.40 116.28 1c7m s VAL 41 Ca 0.27 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 1c7m s VAL 41 Cb 0.20 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 1c7m s VAL 41 CO -0.11 -0.03 1.81 -1.81 0.00 0.00 0.00 175.10 174.96 1c7m s ASP 42 N 2.26 5.42 0.00 3.32 1.01 -1.26 -2.26 116.67 125.16 1c7m s ASP 42 Ca 0.04 0.44 0.00 0.00 0.71 0.00 0.00 52.55 53.74 1c7m s ASP 42 Cb -0.14 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1c7m s ASP 42 CO -0.08 -2.24 0.00 0.61 0.21 0.00 0.00 175.17 173.67 1c7m n GLY 43 N 5.63 3.76 3.72 0.21 0.00 -1.26 -5.13 105.19 112.11 1c7m n GLY 43 Ca 0.20 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 3.55 -0.42 1.61 5.36 -0.96 -5.06 117.98 122.07 1c7m s PHE 44 Ca 0.00 1.14 -0.24 0.00 -0.96 0.00 0.00 56.93 56.88 1c7m s PHE 44 Cb 0.00 -2.74 0.02 0.00 -0.34 0.00 0.00 43.02 39.96 1c7m s PHE 44 CO 0.00 0.10 0.83 1.21 -1.46 0.00 0.00 175.22 175.90 1c7m s ASN 45 N 0.76 6.50 0.45 6.13 3.84 -1.26 -4.76 114.94 126.60 1c7m s ASN 45 Ca 0.34 0.16 -0.01 0.00 0.21 0.00 0.00 52.86 53.57 1c7m s ASN 45 Cb -0.17 -2.41 -0.01 0.00 -0.55 0.00 0.00 41.25 38.11 1c7m s ASN 45 CO 0.16 -0.88 0.68 -0.31 -2.79 0.00 0.00 177.10 173.97 1c7m s TYR 46 N 3.34 3.31 0.74 0.43 1.51 -1.26 -5.09 117.35 120.33 1c7m s TYR 46 Ca 0.33 0.36 -0.12 0.00 -1.01 0.00 0.00 57.07 56.63 1c7m s TYR 46 Cb -0.12 -2.28 0.04 0.00 -0.11 0.00 0.00 41.96 39.49 1c7m s TYR 46 CO 0.21 -0.31 1.09 -1.54 -1.11 0.00 0.00 175.55 173.89 1c7m s SER 47 N -4.18 4.76 0.13 2.29 1.04 -1.26 -4.85 113.70 111.62 1c7m s SER 47 Ca 0.47 1.83 -0.21 0.00 0.48 0.00 0.00 55.95 58.53 1c7m s SER 47 Cb -0.10 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 1c7m s SER 47 CO 0.39 -1.86 1.69 -0.78 0.98 0.00 0.00 173.24 173.66 1c7m h ASP 48 N -0.80 -0.31 0.90 7.02 3.58 -1.99 -1.20 116.42 123.61 1c7m h ASP 48 Ca -0.44 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.05 1c7m h ASP 48 Cb 1.23 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.44 1c7m h ASP 48 CO 0.53 -0.13 -0.14 1.55 -2.88 0.00 0.00 179.24 178.17 1c7m h PRO 49 N -0.09 0.00 -0.00 0.28 0.13 -1.86 -0.51 132.00 129.95 1c7m h PRO 49 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1c7m h PRO 49 Cb 0.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 1c7m h PRO 49 CO -0.21 0.14 0.00 1.98 -0.23 0.00 0.00 178.00 179.67 1c7m h MET 50 N 0.00 0.01 -0.86 0.86 -1.53 -1.76 -2.57 114.93 109.07 1c7m h MET 50 Ca -0.00 -0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 1c7m h MET 50 Cb 0.62 -0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.63 1c7m h MET 50 CO 0.02 0.13 0.43 0.87 0.14 0.00 0.00 176.91 178.50 1c7m h LYS 51 N -0.12 1.23 0.00 0.39 1.57 -1.11 -3.00 116.57 115.53 1c7m h LYS 51 Ca 0.00 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1c7m h LYS 51 Cb 0.12 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1c7m h LYS 51 CO -0.00 0.93 -0.02 0.00 -0.57 0.00 0.00 179.45 179.79 1c7m h ALA 52 N 1.23 1.07 0.30 3.86 0.00 -1.16 -3.29 119.26 121.27 1c7m h ALA 52 Ca 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1c7m h ALA 52 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1c7m h ALA 52 CO -0.04 0.03 -0.14 1.25 0.00 0.00 0.00 179.25 180.34 1c7m h HIS 53 N 0.00 -0.37 0.00 0.00 6.17 -1.31 -3.49 115.15 116.15 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 0.23 0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.28 1c7m h HIS 53 CO 0.00 -0.23 0.00 0.41 0.71 0.00 0.00 177.93 178.82 1c7m n GLY 54 N -0.36 2.88 7.00 5.26 0.00 -1.20 -4.94 105.19 113.82 1c7m n GLY 54 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 3.99 3.39 -0.02 0.00 -1.26 -0.96 105.19 110.33 1c7m n GLY 55 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.43 -1.15 1.61 1.01 -1.26 -4.09 116.67 108.35 1c7m s ASP 56 Ca 0.00 0.27 -0.20 0.00 0.71 0.00 0.00 52.55 53.32 1c7m s ASP 56 Cb 0.00 0.47 0.07 0.00 1.01 0.00 0.00 42.92 44.46 1c7m s ASP 56 CO 0.00 -0.65 1.57 0.26 0.21 0.00 0.00 175.17 176.57 1c7m s TRP 57 N -1.98 2.69 0.68 4.23 0.23 0.80 -4.81 118.94 120.78 1c7m s TRP 57 Ca -0.08 -1.26 -0.11 0.00 -2.03 0.00 0.00 56.10 52.62 1c7m s TRP 57 Cb -0.01 -4.70 0.00 0.00 0.03 0.00 0.00 33.47 28.79 1c7m s TRP 57 CO 0.02 -1.85 1.06 0.95 0.96 0.00 0.00 176.95 178.09 1c7m s THR 58 N 4.47 3.97 -0.87 2.01 -4.23 -1.26 -0.64 115.64 119.08 1c7m s THR 58 Ca 0.49 0.68 -0.06 0.00 -1.18 0.00 0.00 61.69 61.62 1c7m s THR 58 Cb 0.02 -3.38 -0.08 0.00 1.34 0.00 0.00 72.50 70.40 1c7m s THR 58 CO -0.01 -0.80 2.32 -0.81 -0.54 0.00 0.00 174.62 174.78 1c7m n PRO 59 N -2.99 2.21 0.04 3.99 -0.04 -1.26 -2.10 135.00 134.85 1c7m n PRO 59 Ca 0.08 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1c7m n PRO 59 Cb 0.53 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 3.84 0.00 -0.25 0.54 2.13 -1.26 -4.82 120.64 120.82 1c7m n GLU 60 Ca 0.47 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.28 1c7m n GLU 60 Cb 0.23 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.05 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 0.97 -0.55 4.31 0.00 -1.90 -2.21 119.26 119.88 1c7m h ALA 61 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1c7m h ALA 61 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1c7m h ALA 61 CO 0.00 0.08 0.37 -0.07 0.00 0.00 0.00 179.25 179.64 1c7m h LEU 62 N 0.74 0.36 -1.10 0.00 3.38 -1.74 -1.34 115.31 115.61 1c7m h LEU 62 Ca 0.32 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 1c7m h LEU 62 Cb 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1c7m h LEU 62 CO -0.19 0.22 -0.42 1.56 0.09 0.00 0.00 178.44 179.71 1c7m h GLN 63 N 0.41 0.07 0.09 1.13 4.20 -1.65 0.18 115.11 119.53 1c7m h GLN 63 Ca 0.25 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 1c7m h GLN 63 Cb 0.46 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1c7m h GLN 63 CO -0.07 0.48 -0.65 1.49 -0.67 0.00 0.00 178.83 179.40 1c7m h GLU 64 N 0.06 0.19 -0.88 1.46 4.81 -1.52 -3.37 114.58 115.32 1c7m h GLU 64 Ca 0.00 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1c7m h GLU 64 Cb 0.76 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 1c7m h GLU 64 CO 0.06 1.15 0.58 0.35 -0.73 0.00 0.00 179.01 180.42 1c7m h PHE 65 N -0.59 1.08 0.00 0.92 3.57 -1.25 -0.50 116.94 120.17 1c7m h PHE 65 Ca -0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1c7m h PHE 65 Cb 1.44 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1c7m h PHE 65 CO 0.21 0.65 0.00 1.28 -2.23 0.00 0.00 178.31 178.22 1c7m n LEU 66 N -4.51 0.00 -0.10 0.59 4.77 0.63 -1.79 117.00 116.59 1c7m n LEU 66 Ca 0.10 0.43 -0.16 0.00 -0.03 0.00 0.00 56.01 56.36 1c7m n LEU 66 Cb 0.06 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 1c7m n LEU 66 CO 0.35 -0.28 -1.15 0.41 -1.33 0.00 0.00 177.39 175.39 1c7m n THR 67 N -1.43 1.10 -3.71 -5.08 -1.04 -0.92 -0.10 114.28 103.10 1c7m n THR 67 Ca 0.03 -0.38 -0.28 0.00 -2.04 0.00 0.00 64.05 61.38 1c7m n THR 67 Cb 0.11 -1.35 -0.12 0.00 -1.82 0.00 0.00 70.33 67.15 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 -6.14 3.55 0.23 8.00 0.02 -0.24 -4.09 114.94 116.26 1c7m s ASN 68 Ca -0.27 -3.27 -0.07 0.00 -1.02 0.00 0.00 52.86 48.23 1c7m s ASN 68 Cb 0.08 -1.14 0.37 0.00 0.02 0.00 0.00 41.25 40.58 1c7m s ASN 68 CO 0.42 -0.16 1.73 -0.65 0.02 0.00 0.00 177.10 178.45 1c7m h PRO 69 N 5.87 0.38 0.00 -0.60 0.11 -1.57 -2.16 132.00 134.03 1c7m h PRO 69 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1c7m h PRO 69 Cb 0.85 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1c7m h PRO 69 CO 0.56 0.25 0.00 0.36 -0.21 0.00 0.00 178.00 178.96 1c7m n LYS 70 N -5.03 0.62 0.09 1.05 2.85 -1.26 -1.48 118.16 115.00 1c7m n LYS 70 Ca 0.12 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.15 1c7m n LYS 70 Cb 0.35 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.10 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 3.62 -0.01 0.07 0.58 0.00 -1.78 -3.15 119.26 118.59 1c7m h ALA 71 Ca 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1c7m h ALA 71 Cb 0.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1c7m h ALA 71 CO 0.00 0.67 -0.03 0.28 0.00 0.00 0.00 179.25 180.16 1c7m h VAL 72 N 0.25 0.89 -3.55 0.00 2.07 -1.58 -3.41 116.25 110.93 1c7m h VAL 72 Ca -0.18 -1.47 -0.72 0.00 0.82 0.00 0.00 66.70 65.14 1c7m h VAL 72 Cb 1.89 1.61 -0.33 0.00 -1.52 0.00 0.00 31.29 32.94 1c7m h VAL 72 CO 0.23 0.28 -0.19 -0.69 0.02 0.00 0.00 177.57 177.22 1c7m s VAL 73 N -2.48 4.27 -0.34 2.57 1.01 -0.55 -5.07 120.40 119.81 1c7m s VAL 73 Ca -0.11 -3.12 -0.28 0.00 0.00 0.00 0.00 61.98 58.47 1c7m s VAL 73 Cb -0.01 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1c7m s VAL 73 CO 0.40 -0.97 1.83 -1.59 0.00 0.00 0.00 175.10 174.77 1c7m s LYS 74 N -0.39 3.28 0.00 2.72 0.00 -1.19 -1.88 119.74 122.28 1c7m s LYS 74 Ca 0.20 1.42 0.00 0.00 0.00 0.00 0.00 55.97 57.59 1c7m s LYS 74 Cb -0.15 -4.22 0.00 0.00 0.00 0.00 0.00 37.83 33.46 1c7m s LYS 74 CO -0.07 -1.93 0.00 0.41 0.00 0.00 0.00 175.35 173.76 1c7m n GLY 75 N 5.46 0.99 3.75 0.59 0.00 -1.26 -4.76 105.19 109.96 1c7m n GLY 75 Ca 0.23 -0.35 -0.40 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 3.98 -2.00 2.61 -1.32 -0.79 -4.56 115.64 111.08 1c7m s THR 76 Ca 0.00 1.88 0.06 0.00 -1.21 0.00 0.00 61.69 62.42 1c7m s THR 76 Cb 0.00 -4.20 0.17 0.00 -1.51 0.00 0.00 72.50 66.96 1c7m s THR 76 CO 0.00 0.40 0.75 0.29 -2.21 0.00 0.00 174.62 173.85 1c7m n LYS 77 N 1.77 0.33 -2.68 7.08 5.02 -1.26 -4.72 118.16 123.70 1c7m n LYS 77 Ca -0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1c7m n LYS 77 Cb 0.47 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 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 3.20 -1.42 1.97 1.75 -1.26 -4.96 119.30 116.58 1c7m s MET 78 Ca 0.09 -0.40 -0.14 0.00 -1.25 0.00 0.00 55.69 53.99 1c7m s MET 78 Cb 0.04 -4.17 0.05 0.00 2.84 0.00 0.00 34.83 33.59 1c7m s MET 78 CO 0.07 -1.94 2.12 0.00 -0.65 0.00 0.00 175.02 174.63 1c7m n ALA 79 N 8.56 5.19 -3.40 4.11 0.00 -1.26 -4.89 120.51 128.82 1c7m n ALA 79 Ca 0.01 -3.90 -0.26 0.00 0.00 0.00 0.00 53.44 49.30 1c7m n ALA 79 Cb 0.48 -3.52 -0.17 0.00 0.00 0.00 0.00 19.45 16.24 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 3.25 1.64 -0.65 0.00 5.36 -1.26 -5.06 117.98 121.25 1c7m s PHE 80 Ca 0.48 -0.61 0.26 0.00 -0.96 0.00 0.00 56.93 56.09 1c7m s PHE 80 Cb 0.12 -1.17 0.84 0.00 -0.34 0.00 0.00 43.02 42.47 1c7m s PHE 80 CO -0.06 -0.29 1.76 0.00 -1.46 0.00 0.00 175.22 175.17 1c7m h ALA 81 N 6.89 1.00 0.00 11.12 0.00 -1.93 -3.43 119.26 132.91 1c7m h ALA 81 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1c7m h ALA 81 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1c7m h ALA 81 CO 0.47 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1c7m n GLY 82 N 0.98 2.75 3.73 0.00 0.00 -1.26 -4.88 105.19 106.52 1c7m n GLY 82 Ca 0.05 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 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 4.40 -0.14 0.99 1.43 0.85 -4.92 118.68 121.29 1c7m s LEU 83 Ca 0.00 1.44 -0.19 0.00 -1.03 0.00 0.00 54.13 54.35 1c7m s LEU 83 Cb 0.00 -3.27 -0.16 0.00 0.03 0.00 0.00 46.19 42.79 1c7m s LEU 83 CO 0.00 -0.07 0.39 1.55 0.23 0.00 0.00 176.35 178.44 1c7m h PRO 84 N 6.16 0.00 -6.89 1.29 0.13 -1.95 -3.40 132.00 127.34 1c7m h PRO 84 Ca -0.43 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.24 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 0.73 0.66 0.21 0.15 -0.23 0.00 0.00 178.00 179.53 1c7m s LYS 85 N -2.09 4.09 0.28 0.86 1.02 -1.26 -5.01 119.74 117.63 1c7m s LYS 85 Ca -0.16 0.87 -0.02 0.00 0.02 0.00 0.00 55.97 56.68 1c7m s LYS 85 Cb -0.00 -2.31 0.44 0.00 -0.52 0.00 0.00 37.83 35.44 1c7m s LYS 85 CO 0.46 0.06 1.89 0.97 -0.92 0.00 0.00 175.35 177.80 1c7m h ILE 86 N 1.88 1.08 0.00 2.17 -0.00 -1.98 -2.41 117.51 118.25 1c7m h ILE 86 Ca -0.48 -0.39 -0.03 0.00 -0.00 0.00 0.00 64.86 63.96 1c7m h ILE 86 Cb 1.18 -0.16 -0.00 0.00 -0.00 0.00 0.00 36.82 37.83 1c7m h ILE 86 CO 0.63 0.21 -0.13 1.05 -0.00 0.00 0.00 178.15 179.91 1c7m h GLU 87 N 1.14 0.00 0.48 2.19 4.11 -1.95 -1.03 114.58 119.52 1c7m h GLU 87 Ca 0.43 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.83 1c7m h GLU 87 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1c7m h GLU 87 CO -0.17 0.13 -0.23 -0.44 0.07 0.00 0.00 179.01 178.37 1c7m h ASP 88 N 0.00 -0.55 -0.34 3.06 3.32 -1.75 0.76 116.42 120.92 1c7m h ASP 88 Ca -0.00 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1c7m h ASP 88 Cb 0.30 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1c7m h ASP 88 CO 0.02 -0.31 0.10 0.08 -1.72 0.00 0.00 179.24 177.40 1c7m h ARG 89 N -0.76 0.54 -0.19 3.56 -0.00 -1.62 -2.97 114.38 112.94 1c7m h ARG 89 Ca -0.07 -0.12 -0.04 0.00 -0.00 0.00 0.00 59.98 59.76 1c7m h ARG 89 Cb 0.55 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.97 30.43 1c7m h ARG 89 CO 0.11 0.57 -0.04 0.00 -0.00 0.00 0.00 179.97 180.61 1c7m h ALA 90 N 0.94 1.58 0.05 0.08 0.00 -1.22 0.16 119.26 120.84 1c7m h ALA 90 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1c7m h ALA 90 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1c7m h ALA 90 CO -0.00 0.31 -0.02 -0.91 0.00 0.00 0.00 179.25 178.62 1c7m h ASN 91 N 0.28 -0.06 -0.37 0.00 2.35 -0.79 -0.46 115.58 116.54 1c7m h ASN 91 Ca 0.06 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1c7m h ASN 91 Cb 0.26 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1c7m h ASN 91 CO 0.01 0.12 0.23 0.25 -1.65 0.00 0.00 177.43 176.39 1c7m h LEU 92 N -0.23 0.38 -0.71 1.61 5.85 -1.41 -1.37 115.31 119.43 1c7m h LEU 92 Ca -0.01 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1c7m h LEU 92 Cb 0.21 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1c7m h LEU 92 CO 0.01 0.28 0.30 0.40 -0.34 0.00 0.00 178.44 179.09 1c7m h ILE 93 N 0.47 1.24 -0.64 4.05 2.04 -0.77 -0.11 117.51 123.79 1c7m h ILE 93 Ca 0.14 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1c7m h ILE 93 Cb -0.02 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 1c7m h ILE 93 CO -0.05 0.30 0.34 0.00 0.00 0.00 0.00 178.15 178.74 1c7m h ALA 94 N 1.14 0.86 -0.20 1.87 0.00 -1.05 0.15 119.26 122.02 1c7m h ALA 94 Ca 0.24 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1c7m h ALA 94 Cb 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1c7m h ALA 94 CO -0.02 -0.01 -0.08 -0.92 0.00 0.00 0.00 179.25 178.22 1c7m h TYR 95 N 0.62 -0.19 0.00 0.00 3.20 -1.05 -1.92 116.97 117.63 1c7m h TYR 95 Ca 0.29 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 1c7m h TYR 95 Cb 0.22 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1c7m h TYR 95 CO -0.09 -0.13 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.04 1c7m h LEU 96 N -0.05 0.00 -0.22 2.82 3.38 -0.84 0.35 115.31 120.75 1c7m h LEU 96 Ca 0.11 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 1c7m h LEU 96 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1c7m h LEU 96 CO -0.24 0.18 -0.70 -0.33 0.09 0.00 0.00 178.44 177.44 1c7m h GLU 97 N 0.00 0.80 0.25 1.13 5.08 -0.63 -3.31 114.58 117.90 1c7m h GLU 97 Ca -0.00 -0.61 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1c7m h GLU 97 Cb 0.36 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1c7m h GLU 97 CO 0.02 1.22 -0.12 0.78 -1.00 0.00 0.00 179.01 179.92 1c7m h GLY 98 N 0.64 -0.35 -7.32 -3.84 0.00 -1.30 -3.42 103.07 87.48 1c7m h GLY 98 Ca -0.03 0.13 -0.67 0.00 0.00 0.00 0.00 47.33 46.76 1c7m h GLY 98 CO 0.15 -0.13 0.53 1.20 0.00 0.00 0.00 176.54 178.29 1c7m s GLN 99 N -2.64 3.28 0.00 4.80 1.11 0.11 -5.11 119.66 121.21 1c7m s GLN 99 Ca -0.05 -1.33 0.30 0.00 0.01 0.00 0.00 55.36 54.29 1c7m s GLN 99 Cb 0.00 -4.49 1.48 0.00 -1.01 0.00 0.00 33.01 29.00 1c7m s GLN 99 CO 0.15 -1.72 1.99 1.04 0.01 0.00 0.00 175.29 176.75