#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7m s ALA 2 N 0.00 3.55 -0.25 3.17 0.00 -1.26 -2.41 121.76 124.55 1c7m s ALA 2 Ca 0.00 -2.58 -0.00 0.00 0.00 0.00 0.00 51.96 49.38 1c7m s ALA 2 Cb 0.00 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 19.57 1c7m s ALA 2 CO 0.00 -2.46 0.01 -0.51 0.00 0.00 0.00 175.76 172.81 1c7m s ASP 3 N 3.32 3.79 0.32 0.00 1.11 -1.26 -4.97 116.67 118.98 1c7m s ASP 3 Ca 0.17 -1.31 0.10 0.00 0.18 0.00 0.00 52.55 51.69 1c7m s ASP 3 Cb -0.17 -1.02 0.54 0.00 1.07 0.00 0.00 42.92 43.33 1c7m s ASP 3 CO -0.00 -0.31 1.73 1.55 1.18 0.00 0.00 175.17 179.32 1c7m h PRO 4 N 8.01 0.08 0.00 8.23 0.13 -1.87 -1.77 132.00 144.81 1c7m h PRO 4 Ca -0.15 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.91 1c7m h PRO 4 Cb 1.06 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1c7m h PRO 4 CO 0.42 0.52 -0.13 0.00 -0.23 0.00 0.00 178.00 178.58 1c7m h ALA 5 N 1.48 1.30 0.05 -0.56 0.00 -1.97 -2.32 119.26 117.24 1c7m h ALA 5 Ca 0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 1c7m h ALA 5 Cb 0.82 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1c7m h ALA 5 CO 0.06 0.16 -1.06 0.00 0.00 0.00 0.00 179.25 178.42 1c7m h ALA 6 N 1.87 0.24 0.00 0.00 0.00 -1.87 -3.39 119.26 116.10 1c7m h ALA 6 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1c7m h ALA 6 Cb 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1c7m h ALA 6 CO 0.02 0.82 -0.08 0.78 0.00 0.00 0.00 179.25 180.78 1c7m h GLY 7 N 1.12 0.00 0.98 0.00 0.00 -0.88 -2.07 103.07 102.24 1c7m h GLY 7 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1c7m h GLY 7 CO 0.19 0.00 0.28 1.05 0.00 0.00 0.00 176.54 178.06 1c7m h GLU 8 N 0.00 0.78 -0.04 4.80 -0.00 -1.63 -0.25 114.58 118.24 1c7m h GLU 8 Ca -0.00 -0.10 -0.19 0.00 -0.00 0.00 0.00 59.36 59.06 1c7m h GLU 8 Cb 0.22 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 28.82 1c7m h GLU 8 CO 0.01 0.62 -0.80 1.57 -0.00 0.00 0.00 179.01 180.41 1c7m h LYS 9 N 0.74 0.35 -0.71 1.06 2.10 -1.76 -3.27 116.57 115.09 1c7m h LYS 9 Ca 0.19 -0.32 0.03 0.00 -2.00 0.00 0.00 60.65 58.56 1c7m h LYS 9 Cb 0.08 0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.44 1c7m h LYS 9 CO -0.03 0.98 0.44 0.28 -2.00 0.00 0.00 179.45 179.12 1c7m h VAL 10 N 0.22 1.08 0.00 0.07 2.07 -1.37 -2.60 116.25 115.72 1c7m h VAL 10 Ca -0.04 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1c7m h VAL 10 Cb 1.39 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1c7m h VAL 10 CO 0.13 0.16 0.37 0.15 0.02 0.00 0.00 177.57 178.39 1c7m h PHE 11 N 0.85 0.00 -0.52 1.57 3.57 -1.08 -2.42 116.94 118.91 1c7m h PHE 11 Ca 0.29 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.94 1c7m h PHE 11 Cb 0.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1c7m h PHE 11 CO -0.04 0.00 0.41 0.78 -2.23 0.00 0.00 178.31 177.22 1c7m h GLY 12 N 0.00 0.00 1.56 2.40 0.00 -1.53 0.61 103.07 106.11 1c7m h GLY 12 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1c7m h GLY 12 CO 0.00 0.00 -0.29 0.50 0.00 0.00 0.00 176.54 176.75 1c7m h LYS 13 N 0.00 0.50 0.09 4.80 6.56 -1.64 -3.35 116.57 123.52 1c7m h LYS 13 Ca 0.25 -0.20 -0.28 0.00 -1.06 0.00 0.00 60.65 59.36 1c7m h LYS 13 Cb 1.06 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.69 1c7m h LYS 13 CO -0.00 0.74 -1.36 0.00 -2.06 0.00 0.00 179.45 176.76 1c7m h LYS 15 N 0.05 0.00 -0.90 0.00 2.10 -1.06 -0.93 116.57 115.83 1c7m h LYS 15 Ca -0.17 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1c7m h LYS 15 Cb 1.95 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.24 1c7m h LYS 15 CO 0.16 0.08 0.56 0.00 -2.00 0.00 0.00 179.45 178.25 1c7m h ALA 16 N 1.92 1.29 0.08 0.07 0.00 -1.83 -3.32 119.26 117.47 1c7m h ALA 16 Ca -0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 1c7m h ALA 16 Cb 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1c7m h ALA 16 CO 0.01 0.63 -1.21 0.00 0.00 0.00 0.00 179.25 178.68 1c7m s HIS 18 N -2.43 2.89 -0.04 0.00 3.76 -0.39 -0.76 115.29 118.33 1c7m s HIS 18 Ca -0.21 -0.09 -0.00 0.00 -0.15 0.00 0.00 55.06 54.61 1c7m s HIS 18 Cb 0.04 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 1c7m s HIS 18 CO 0.73 0.23 0.01 0.15 -0.85 0.00 0.00 174.74 175.00 1c7m s LYS 19 N -0.59 2.89 0.11 1.40 -0.14 -1.13 -4.25 119.74 118.02 1c7m s LYS 19 Ca 0.09 -0.52 0.10 0.00 -1.36 0.00 0.00 55.97 54.29 1c7m s LYS 19 Cb -0.12 -2.73 -0.16 0.00 -1.68 0.00 0.00 37.83 33.14 1c7m s LYS 19 CO 0.02 0.66 1.14 -0.07 -0.76 0.00 0.00 175.35 176.33 1c7m h LEU 20 N 4.68 0.00 -6.04 3.17 3.38 -1.93 -2.33 115.31 116.24 1c7m h LEU 20 Ca -0.50 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 56.71 1c7m h LEU 20 Cb 1.18 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.77 1c7m h LEU 20 CO 0.56 0.88 1.99 0.47 0.09 0.00 0.00 178.44 182.44 1c7m n ASP 21 N -3.22 7.05 0.00 -0.43 8.00 -1.26 -4.44 116.55 122.25 1c7m n ASP 21 Ca -0.04 -3.23 0.00 0.00 0.71 0.00 0.00 54.79 52.23 1c7m n ASP 21 Cb 0.92 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 1.72 3.13 7.00 0.44 0.00 -1.26 -5.02 105.19 111.20 1c7m n GLY 22 Ca 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1c7m n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c7m n ASN 23 N 5.24 -2.44 0.00 1.61 3.02 -1.26 -4.56 115.26 116.87 1c7m n ASN 23 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1c7m n ASN 23 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1c7m n ASN 23 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1c7m n ASP 24 N -3.46 0.00 0.00 6.41 8.00 -1.26 -4.00 116.55 122.24 1c7m n ASP 24 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1c7m n ASP 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 1.27 1.36 0.13 0.44 0.00 -1.26 -2.85 105.19 104.29 1c7m n GLY 25 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 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 1.53 -2.58 1.61 0.31 0.06 -5.04 118.33 114.22 1c7m n VAL 26 Ca 0.00 -0.33 -0.22 0.00 -0.01 0.00 0.00 64.34 63.78 1c7m n VAL 26 Cb 0.00 -1.92 0.04 0.00 -0.91 0.00 0.00 33.84 31.05 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 -5.41 1.77 0.98 2.92 0.00 -0.49 -5.01 107.32 102.08 1c7m s GLY 27 Ca -0.37 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 43.01 1c7m s GLY 27 CO 0.50 -0.91 1.10 2.56 0.00 0.00 0.00 173.10 176.34 1c7m s PRO 28 N -4.84 0.58 0.08 2.90 0.04 -1.26 -4.55 135.00 127.94 1c7m s PRO 28 Ca 0.57 0.50 -0.31 0.00 0.04 0.00 0.00 61.00 61.80 1c7m s PRO 28 Cb -0.10 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1c7m s PRO 28 CO 0.40 -2.62 1.53 -3.38 0.04 0.00 0.00 177.00 172.96 1c7m s HIS 29 N -3.01 2.78 -0.34 0.56 -3.43 -1.26 -4.33 115.29 106.27 1c7m s HIS 29 Ca 0.65 0.61 0.14 0.00 -0.80 0.00 0.00 55.06 55.65 1c7m s HIS 29 Cb -0.18 -3.83 0.79 0.00 -1.43 0.00 0.00 32.58 27.92 1c7m s HIS 29 CO 0.57 -3.18 1.70 1.28 -2.00 0.00 0.00 174.74 173.11 1c7m n LEU 30 N 4.98 5.51 -4.56 5.38 4.77 -0.88 -4.90 117.00 127.30 1c7m n LEU 30 Ca 0.14 -2.79 -0.24 0.00 -0.03 0.00 0.00 56.01 53.09 1c7m n LEU 30 Cb 0.41 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1c7m n LEU 30 CO 0.61 0.63 1.34 0.54 -1.33 0.00 0.00 177.39 179.17 1c7m s ASN 31 N -0.75 4.77 -0.42 -1.43 2.20 -1.26 -1.96 114.94 116.09 1c7m s ASN 31 Ca 0.52 -0.36 -0.01 0.00 -0.94 0.00 0.00 52.86 52.07 1c7m s ASN 31 Cb 0.40 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 37.09 1c7m s ASN 31 CO 0.16 -3.05 0.35 0.61 -2.94 0.00 0.00 177.10 172.23 1c7m n GLY 32 N 6.75 0.25 0.23 0.45 0.00 -1.25 -4.97 105.19 106.65 1c7m n GLY 32 Ca 0.41 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.71 1.13 -2.45 1.61 3.04 -1.61 -3.32 116.25 113.93 1c7m h VAL 33 Ca -0.19 -0.62 -0.54 0.00 -1.01 0.00 0.00 66.70 64.34 1c7m h VAL 33 Cb 1.12 1.30 -0.04 0.00 -2.01 0.00 0.00 31.29 31.66 1c7m h VAL 33 CO 0.17 0.18 1.25 -0.69 -1.01 0.00 0.00 177.57 177.47 1c7m s VAL 34 N -4.67 3.54 0.00 1.51 1.01 -1.26 -1.87 120.40 118.66 1c7m s VAL 34 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1c7m s VAL 34 Cb 0.16 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1c7m s VAL 34 CO 0.70 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1c7m n GLY 35 N 5.47 0.44 3.85 4.51 0.00 0.32 -4.91 105.19 114.88 1c7m n GLY 35 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.91 3.98 0.73 1.61 3.52 -0.78 -4.83 118.95 122.27 1c7m s ARG 36 Ca 0.00 0.76 -0.16 0.00 -0.13 0.00 0.00 55.73 56.20 1c7m s ARG 36 Cb 0.00 -2.32 0.02 0.00 -1.56 0.00 0.00 34.95 31.09 1c7m s ARG 36 CO 0.00 0.00 1.06 -2.37 -0.81 0.00 0.00 175.30 173.18 1c7m n THR 37 N -0.85 2.98 -2.37 4.11 5.66 -1.26 -0.26 114.28 122.29 1c7m n THR 37 Ca 0.04 -0.36 -0.41 0.00 -3.05 0.00 0.00 64.05 60.27 1c7m n THR 37 Cb 0.54 -1.18 -0.03 0.00 -1.55 0.00 0.00 70.33 68.11 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 -1.81 3.69 -1.19 1.08 1.01 -0.35 -2.24 120.40 120.59 1c7m s VAL 38 Ca 0.75 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 64.05 1c7m s VAL 38 Cb -0.34 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1c7m s VAL 38 CO 0.49 0.17 0.07 0.00 0.00 0.00 0.00 175.10 175.83 1c7m n ALA 39 N 3.07 -0.46 -1.91 5.51 0.00 -1.25 -3.82 120.51 121.66 1c7m n ALA 39 Ca 0.06 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 1c7m n ALA 39 Cb 0.45 -1.85 -0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.06 5.21 2.63 0.00 0.00 -0.95 -4.74 105.19 106.27 1c7m n GLY 40 Ca -0.15 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.33 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 -3.57 0.25 -0.41 1.61 1.01 -1.26 -4.88 120.40 113.15 1c7m s VAL 41 Ca 0.52 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1c7m s VAL 41 Cb 0.35 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 1c7m s VAL 41 CO -0.27 -0.58 1.58 -1.81 0.00 0.00 0.00 175.10 174.02 1c7m s ASP 42 N 1.95 6.09 0.00 3.32 1.01 -1.26 -2.47 116.67 125.31 1c7m s ASP 42 Ca 0.07 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.25 1c7m s ASP 42 Cb -0.16 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1c7m s ASP 42 CO -0.26 -1.61 0.00 0.61 0.21 0.00 0.00 175.17 174.12 1c7m n GLY 43 N 5.26 3.86 3.74 0.21 0.00 -1.26 -5.13 105.19 111.86 1c7m n GLY 43 Ca 0.19 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 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 3.84 -0.73 1.61 5.36 -1.03 -5.03 117.98 121.99 1c7m s PHE 44 Ca 0.00 1.78 -0.26 0.00 -0.96 0.00 0.00 56.93 57.49 1c7m s PHE 44 Cb 0.00 -3.00 0.04 0.00 -0.34 0.00 0.00 43.02 39.71 1c7m s PHE 44 CO 0.00 0.27 1.23 1.21 -1.46 0.00 0.00 175.22 176.47 1c7m s ASN 45 N -0.28 6.17 0.68 6.13 2.47 -1.26 -4.93 114.94 123.92 1c7m s ASN 45 Ca 0.44 -0.57 -0.08 0.00 0.42 0.00 0.00 52.86 53.08 1c7m s ASN 45 Cb -0.23 -2.53 0.04 0.00 -1.45 0.00 0.00 41.25 37.07 1c7m s ASN 45 CO 0.29 -1.76 1.01 -0.31 -3.72 0.00 0.00 177.10 172.61 1c7m s TYR 46 N 5.42 3.09 0.76 0.43 2.02 -1.26 -5.09 117.35 122.72 1c7m s TYR 46 Ca 0.33 0.63 -0.11 0.00 -0.37 0.00 0.00 57.07 57.55 1c7m s TYR 46 Cb -0.09 -3.06 0.05 0.00 -0.40 0.00 0.00 41.96 38.45 1c7m s TYR 46 CO 0.14 -1.22 1.09 -1.54 -1.57 0.00 0.00 175.55 172.44 1c7m s SER 47 N -4.43 4.87 0.10 2.29 1.04 -1.26 -4.92 113.70 111.38 1c7m s SER 47 Ca 0.58 1.35 -0.22 0.00 0.48 0.00 0.00 55.95 58.14 1c7m s SER 47 Cb -0.11 -2.13 -0.12 0.00 0.10 0.00 0.00 66.02 63.77 1c7m s SER 47 CO 0.46 -1.74 1.74 0.44 0.98 0.00 0.00 173.24 175.13 1c7m h ASP 48 N -0.93 0.02 0.69 7.02 3.32 -2.00 -2.11 116.42 122.45 1c7m h ASP 48 Ca -0.46 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 1c7m h ASP 48 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1c7m h ASP 48 CO 0.60 0.02 -0.10 1.55 -1.72 0.00 0.00 179.24 179.59 1c7m h PRO 49 N 0.05 0.00 0.41 3.56 0.13 -1.86 -0.41 132.00 133.88 1c7m h PRO 49 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1c7m h PRO 49 Cb 0.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 1c7m h PRO 49 CO -0.03 0.10 -0.36 0.52 -0.23 0.00 0.00 178.00 178.00 1c7m h MET 50 N 0.00 -0.75 -0.52 0.86 2.86 -1.79 -2.58 114.93 113.01 1c7m h MET 50 Ca -0.00 0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1c7m h MET 50 Cb 0.47 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1c7m h MET 50 CO 0.01 -0.50 0.15 0.87 1.06 0.00 0.00 176.91 178.50 1c7m h LYS 51 N -0.78 0.82 0.00 1.72 1.79 -1.21 -3.16 116.57 115.76 1c7m h LYS 51 Ca -0.04 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1c7m h LYS 51 Cb 0.68 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1c7m h LYS 51 CO -0.03 0.77 -0.02 0.00 -1.08 0.00 0.00 179.45 179.09 1c7m h ALA 52 N 1.01 1.03 0.44 3.86 0.00 -1.19 -3.24 119.26 121.18 1c7m h ALA 52 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1c7m h ALA 52 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1c7m h ALA 52 CO -0.00 0.02 -0.21 1.25 0.00 0.00 0.00 179.25 180.31 1c7m h HIS 53 N 0.00 -0.54 0.00 0.00 -0.00 -1.42 -3.49 115.15 109.70 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 0.27 0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1c7m h HIS 53 CO 0.00 -0.34 0.00 0.41 -0.00 0.00 0.00 177.93 178.00 1c7m n GLY 54 N -0.48 2.69 7.00 5.26 0.00 -1.23 -4.92 105.19 113.52 1c7m n GLY 54 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 3.58 3.35 -0.02 0.00 -1.26 -1.22 105.19 109.62 1c7m n GLY 55 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.36 -1.11 1.61 1.01 -1.26 -4.22 116.67 108.34 1c7m s ASP 56 Ca 0.00 0.24 -0.20 0.00 0.71 0.00 0.00 52.55 53.30 1c7m s ASP 56 Cb 0.00 0.42 0.08 0.00 1.01 0.00 0.00 42.92 44.43 1c7m s ASP 56 CO 0.00 -0.57 1.49 0.26 0.21 0.00 0.00 175.17 176.56 1c7m s TRP 57 N -1.67 2.79 0.72 4.23 0.23 0.65 -4.74 118.94 121.14 1c7m s TRP 57 Ca -0.10 -1.29 -0.11 0.00 -2.03 0.00 0.00 56.10 52.57 1c7m s TRP 57 Cb -0.02 -4.62 0.02 0.00 0.03 0.00 0.00 33.47 28.88 1c7m s TRP 57 CO 0.04 -1.78 1.07 0.95 0.96 0.00 0.00 176.95 178.18 1c7m s THR 58 N 4.07 3.85 -0.57 2.01 -4.23 -1.26 -0.52 115.64 118.99 1c7m s THR 58 Ca 0.46 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 1c7m s THR 58 Cb 0.00 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1c7m s THR 58 CO -0.03 -0.78 0.26 -0.81 -0.54 0.00 0.00 174.62 172.71 1c7m n PRO 59 N -3.21 0.36 0.00 3.99 -0.04 -1.26 -1.87 135.00 132.97 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 0.54 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.53 0.00 -0.23 0.54 4.07 -1.26 -4.55 120.64 119.75 1c7m n GLU 60 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 1c7m n GLU 60 Cb 0.13 -0.45 0.13 0.00 -0.06 0.00 0.00 31.44 31.19 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1c7m h ALA 61 N 0.00 0.90 -0.28 4.31 0.00 -1.90 -2.27 119.26 120.02 1c7m h ALA 61 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1c7m h ALA 61 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1c7m h ALA 61 CO 0.00 -0.11 0.12 -0.07 0.00 0.00 0.00 179.25 179.19 1c7m h LEU 62 N 0.52 0.33 -1.06 0.00 3.38 -1.69 -0.26 115.31 116.53 1c7m h LEU 62 Ca 0.33 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1c7m h LEU 62 Cb 0.38 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1c7m h LEU 62 CO -0.29 0.30 0.11 1.56 0.09 0.00 0.00 178.44 180.22 1c7m h GLN 63 N 0.38 0.78 0.13 1.13 1.08 -1.66 0.99 115.11 117.95 1c7m h GLN 63 Ca 0.10 -0.16 -0.19 0.00 -1.45 0.00 0.00 58.65 56.95 1c7m h GLN 63 Cb 0.06 -0.12 0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1c7m h GLN 63 CO -0.01 0.72 -0.83 1.49 -0.95 0.00 0.00 178.83 179.24 1c7m h GLU 64 N 0.76 0.28 -0.87 1.46 4.81 -1.48 -3.35 114.58 116.18 1c7m h GLU 64 Ca 0.17 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1c7m h GLU 64 Cb 0.29 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1c7m h GLU 64 CO -0.00 1.23 0.55 0.35 -0.73 0.00 0.00 179.01 180.41 1c7m h PHE 65 N -0.40 1.13 0.00 0.92 3.57 -1.04 0.17 116.94 121.29 1c7m h PHE 65 Ca -0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1c7m h PHE 65 Cb 1.62 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1c7m h PHE 65 CO 0.19 0.74 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.92 1c7m h LEU 66 N 1.20 0.00 0.00 0.59 3.38 -1.01 -1.53 115.31 117.94 1c7m h LEU 66 Ca 0.32 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 1c7m h LEU 66 Cb -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1c7m h LEU 66 CO -0.06 0.03 -1.66 0.41 0.09 0.00 0.00 178.44 177.24 1c7m n THR 67 N -3.23 1.06 -3.22 0.22 -1.04 -1.05 -0.51 114.28 106.51 1c7m n THR 67 Ca -0.02 -0.69 -0.24 0.00 -2.04 0.00 0.00 64.05 61.06 1c7m n THR 67 Cb 0.19 -0.59 -0.07 0.00 -1.82 0.00 0.00 70.33 68.04 1c7m n THR 67 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1c7m n ASN 68 N -2.78 0.70 0.29 8.00 3.02 0.56 -4.26 115.26 120.80 1c7m n ASN 68 Ca -0.13 -2.81 -0.17 0.00 -0.03 0.00 0.00 54.58 51.44 1c7m n ASN 68 Cb 0.86 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 39.30 1c7m n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1c7m h PRO 69 N 3.97 -0.67 0.00 3.52 0.11 -1.52 -1.44 132.00 135.97 1c7m h PRO 69 Ca 0.09 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1c7m h PRO 69 Cb 0.85 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1c7m h PRO 69 CO 0.51 -0.45 0.00 1.63 -0.21 0.00 0.00 178.00 179.49 1c7m n LYS 70 N -5.39 0.73 -0.04 1.05 5.02 -1.25 -1.83 118.16 116.44 1c7m n LYS 70 Ca -0.12 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.11 1c7m n LYS 70 Cb 0.29 -1.06 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 1c7m n LYS 70 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c7m n ALA 71 N -0.56 1.81 0.01 7.82 0.00 -1.06 -3.97 120.51 124.55 1c7m n ALA 71 Ca 0.02 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 1c7m n ALA 71 Cb 0.01 0.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 1.27 -3.45 0.00 2.07 -1.34 -3.39 116.25 111.42 1c7m h VAL 72 Ca -0.20 -1.18 -0.72 0.00 0.82 0.00 0.00 66.70 65.42 1c7m h VAL 72 Cb 1.33 2.03 -0.31 0.00 -1.52 0.00 0.00 31.29 32.82 1c7m h VAL 72 CO -0.03 0.29 -0.34 -0.69 0.02 0.00 0.00 177.57 176.82 1c7m s VAL 73 N -4.01 4.16 -0.39 2.57 1.01 -0.76 -5.07 120.40 117.90 1c7m s VAL 73 Ca -0.15 -2.19 -0.29 0.00 0.00 0.00 0.00 61.98 59.34 1c7m s VAL 73 Cb 0.01 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1c7m s VAL 73 CO 0.63 -0.82 1.45 -0.54 0.00 0.00 0.00 175.10 175.82 1c7m s LYS 74 N 0.84 3.58 0.00 2.72 1.02 -1.25 -2.31 119.74 124.33 1c7m s LYS 74 Ca 0.10 1.03 0.00 0.00 0.02 0.00 0.00 55.97 57.12 1c7m s LYS 74 Cb -0.22 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.06 1c7m s LYS 74 CO -0.03 -1.55 0.00 0.41 -0.92 0.00 0.00 175.35 173.26 1c7m n GLY 75 N 5.04 1.03 3.72 -3.33 0.00 -1.26 -4.78 105.19 105.61 1c7m n GLY 75 Ca 0.17 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.38 4.43 -0.77 2.61 -1.32 -0.98 -4.60 115.64 112.63 1c7m s THR 76 Ca 0.00 1.93 0.00 0.00 -1.21 0.00 0.00 61.69 62.41 1c7m s THR 76 Cb 0.00 -4.24 0.00 0.00 -1.51 0.00 0.00 72.50 66.75 1c7m s THR 76 CO 0.00 0.25 0.39 0.29 -2.21 0.00 0.00 174.62 173.34 1c7m n LYS 77 N 3.08 0.63 -2.90 7.08 5.02 -1.26 -4.80 118.16 125.01 1c7m n LYS 77 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 1c7m n LYS 77 Cb 0.49 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.68 3.41 -1.29 1.97 1.75 -1.26 -4.98 119.30 118.22 1c7m s MET 78 Ca 0.00 -0.10 -0.15 0.00 -1.25 0.00 0.00 55.69 54.19 1c7m s MET 78 Cb 0.00 -3.97 -0.03 0.00 2.84 0.00 0.00 34.83 33.67 1c7m s MET 78 CO 0.00 -1.24 2.25 0.00 -0.65 0.00 0.00 175.02 175.39 1c7m n ALA 79 N 7.00 5.27 -3.74 4.11 0.00 -1.26 -4.84 120.51 127.03 1c7m n ALA 79 Ca 0.03 -3.59 -0.15 0.00 0.00 0.00 0.00 53.44 49.73 1c7m n ALA 79 Cb 0.48 -3.51 -0.15 0.00 0.00 0.00 0.00 19.45 16.27 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 3.48 -0.09 0.04 0.00 5.36 -1.26 -5.09 117.98 120.43 1c7m s PHE 80 Ca 0.52 0.36 -0.17 0.00 -0.96 0.00 0.00 56.93 56.69 1c7m s PHE 80 Cb 0.14 -0.18 -0.26 0.00 -0.34 0.00 0.00 43.02 42.39 1c7m s PHE 80 CO -0.03 -0.15 1.12 0.00 -1.46 0.00 0.00 175.22 174.69 1c7m h ALA 81 N 7.43 0.05 0.00 11.12 0.00 -1.95 -3.43 119.26 132.48 1c7m h ALA 81 Ca -0.40 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1c7m h ALA 81 Cb 1.13 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1c7m h ALA 81 CO 0.40 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1c7m n GLY 82 N 1.21 4.58 3.73 0.00 0.00 -1.26 -4.57 105.19 108.89 1c7m n GLY 82 Ca -0.12 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 4.52 -0.14 0.99 1.43 0.34 -4.91 118.68 120.91 1c7m s LEU 83 Ca 0.00 1.85 -0.19 0.00 -1.03 0.00 0.00 54.13 54.76 1c7m s LEU 83 Cb 0.00 -3.59 -0.17 0.00 0.03 0.00 0.00 46.19 42.46 1c7m s LEU 83 CO 0.00 -0.06 0.44 1.55 0.23 0.00 0.00 176.35 178.52 1c7m h PRO 84 N 5.34 0.00 -6.84 1.29 0.13 -1.94 -3.39 132.00 126.59 1c7m h PRO 84 Ca -0.43 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.22 1c7m h PRO 84 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1c7m h PRO 84 CO 0.71 0.67 0.37 0.15 -0.23 0.00 0.00 178.00 179.68 1c7m s LYS 85 N -2.06 4.65 0.33 0.86 1.02 -1.26 -4.99 119.74 118.30 1c7m s LYS 85 Ca -0.15 1.46 0.01 0.00 0.02 0.00 0.00 55.97 57.31 1c7m s LYS 85 Cb -0.01 -2.99 0.57 0.00 -0.52 0.00 0.00 37.83 34.88 1c7m s LYS 85 CO 0.47 0.32 1.98 0.97 -0.92 0.00 0.00 175.35 178.16 1c7m h ILE 86 N 2.82 1.15 -0.18 2.17 -0.00 -1.98 -2.88 117.51 118.62 1c7m h ILE 86 Ca -0.46 -0.33 -0.02 0.00 -0.00 0.00 0.00 64.86 64.05 1c7m h ILE 86 Cb 1.20 0.11 -0.01 0.00 -0.00 0.00 0.00 36.82 38.12 1c7m h ILE 86 CO 0.66 0.17 0.01 -0.33 -0.00 0.00 0.00 178.15 178.66 1c7m h GLU 87 N 0.96 0.25 0.57 2.19 3.07 -1.94 -0.82 114.58 118.86 1c7m h GLU 87 Ca 0.29 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.08 1c7m h GLU 87 Cb -0.03 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1c7m h GLU 87 CO -0.07 0.27 -0.28 0.22 -1.40 0.00 0.00 179.01 177.75 1c7m h ASP 88 N 0.25 -0.65 -0.61 1.42 1.82 -1.83 -1.26 116.42 115.56 1c7m h ASP 88 Ca 0.06 -0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 1c7m h ASP 88 Cb 0.17 0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 1c7m h ASP 88 CO 0.00 -0.32 0.18 0.08 -1.61 0.00 0.00 179.24 177.58 1c7m h ARG 89 N -1.00 0.99 -0.62 0.28 -0.00 -1.62 -2.83 114.38 109.58 1c7m h ARG 89 Ca -0.08 -0.21 -0.02 0.00 -0.00 0.00 0.00 59.98 59.68 1c7m h ARG 89 Cb 0.65 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.97 30.45 1c7m h ARG 89 CO 0.13 0.86 0.31 0.00 -0.00 0.00 0.00 179.97 181.27 1c7m h ALA 90 N 1.24 1.39 0.19 0.08 0.00 -1.21 0.78 119.26 121.74 1c7m h ALA 90 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1c7m h ALA 90 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1c7m h ALA 90 CO -0.01 0.49 -0.09 -0.91 0.00 0.00 0.00 179.25 178.73 1c7m h ASN 91 N 0.86 -0.22 -0.50 0.00 2.35 -0.86 -1.04 115.58 116.17 1c7m h ASN 91 Ca 0.22 -0.05 0.10 0.00 -0.55 0.00 0.00 56.30 56.01 1c7m h ASN 91 Cb 0.06 0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.39 1c7m h ASN 91 CO -0.03 -0.09 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.29 1c7m h LEU 92 N -0.33 -1.01 -0.99 1.61 3.38 -1.48 -1.44 115.31 115.04 1c7m h LEU 92 Ca -0.03 0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1c7m h LEU 92 Cb 0.26 0.51 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1c7m h LEU 92 CO 0.04 -0.29 0.03 0.40 0.09 0.00 0.00 178.44 178.71 1c7m h ILE 93 N -0.18 1.23 0.02 1.22 2.04 -0.81 0.22 117.51 121.26 1c7m h ILE 93 Ca 0.21 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1c7m h ILE 93 Cb 0.53 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1c7m h ILE 93 CO -0.60 0.33 -0.06 0.00 0.00 0.00 0.00 178.15 177.82 1c7m h ALA 94 N 1.32 -0.07 0.06 1.87 0.00 -1.16 -2.81 119.26 118.46 1c7m h ALA 94 Ca 0.15 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1c7m h ALA 94 Cb 0.40 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1c7m h ALA 94 CO 0.01 -0.56 -0.28 -0.92 0.00 0.00 0.00 179.25 177.51 1c7m h TYR 95 N -0.11 -0.75 0.00 0.00 3.20 -1.01 -2.87 116.97 115.43 1c7m h TYR 95 Ca 0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1c7m h TYR 95 Cb 0.12 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1c7m h TYR 95 CO -0.12 -0.38 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.93 1c7m h LEU 96 N -0.46 0.00 0.14 2.82 3.38 -0.65 0.23 115.31 120.77 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 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1c7m h LEU 96 CO -0.20 0.02 -0.07 -0.33 0.09 0.00 0.00 178.44 177.95 1c7m h GLU 97 N 0.00 -0.19 0.03 1.13 5.08 -1.48 -3.32 114.58 115.83 1c7m h GLU 97 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1c7m h GLU 97 Cb 0.07 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1c7m h GLU 97 CO 0.00 0.25 -0.02 0.78 -1.00 0.00 0.00 179.01 179.02 1c7m h GLY 98 N -0.72 -0.04 -7.18 -3.84 0.00 -1.25 -3.43 103.07 86.60 1c7m h GLY 98 Ca -0.02 0.02 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1c7m h GLY 98 CO 0.03 -0.02 0.34 1.20 0.00 0.00 0.00 176.54 178.09 1c7m s GLN 99 N -2.56 3.20 0.00 4.80 1.11 0.79 -5.10 119.66 121.91 1c7m s GLN 99 Ca -0.14 -0.66 0.06 0.00 0.01 0.00 0.00 55.36 54.63 1c7m s GLN 99 Cb -0.01 -4.11 0.05 0.00 -1.01 0.00 0.00 33.01 27.92 1c7m s GLN 99 CO 0.53 -1.44 0.69 1.04 0.01 0.00 0.00 175.29 176.12