#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th7 s ALA 2 N 0.00 3.20 0.23 4.61 0.00 -1.26 -4.91 121.76 123.62 1th7 s ALA 2 Ca 0.00 1.35 -0.32 0.00 0.00 0.00 0.00 51.96 53.00 1th7 s ALA 2 Cb 0.00 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 1th7 s ALA 2 CO 0.00 -1.07 1.64 -1.33 0.00 0.00 0.00 175.76 175.00 1th7 n MET 3 N -0.18 2.60 -1.99 0.00 2.81 -0.10 -4.88 117.12 115.38 1th7 n MET 3 Ca 0.05 0.93 -0.42 0.00 -1.81 0.00 0.00 57.70 56.46 1th7 n MET 3 Cb 0.43 -2.73 -0.03 0.00 -0.71 0.00 0.00 33.22 30.18 1th7 n MET 3 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1th7 s ASN 4 N 0.86 6.63 0.37 7.83 3.84 -1.26 -4.89 114.94 128.32 1th7 s ASN 4 Ca 0.72 2.64 0.16 0.00 0.21 0.00 0.00 52.86 56.58 1th7 s ASN 4 Cb -0.54 -2.61 1.03 0.00 -0.55 0.00 0.00 41.25 38.58 1th7 s ASN 4 CO 0.39 -0.75 1.76 0.15 -2.79 0.00 0.00 177.10 175.86 1th7 h PHE 5 N 5.78 0.76 -0.04 0.43 3.57 -2.02 -1.15 116.94 124.26 1th7 h PHE 5 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1th7 h PHE 5 Cb 1.21 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1th7 h PHE 5 CO 0.62 0.07 0.00 1.28 -2.23 0.00 0.00 178.31 178.06 1th7 n LEU 6 N -4.69 2.05 -3.75 0.59 4.77 -1.26 -4.57 117.00 110.13 1th7 n LEU 6 Ca 0.25 -0.70 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 1th7 n LEU 6 Cb 0.82 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1th7 n LEU 6 CO 0.23 0.35 2.37 0.00 -1.33 0.00 0.00 177.39 179.01 1th7 n ALA 7 N 0.60 5.68 -0.10 -1.18 0.00 -0.44 -4.79 120.51 120.28 1th7 n ALA 7 Ca 0.17 -4.08 0.15 0.00 0.00 0.00 0.00 53.44 49.68 1th7 n ALA 7 Cb 0.44 -3.21 0.53 0.00 0.00 0.00 0.00 19.45 17.21 1th7 n ALA 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1th7 h GLU 8 N 5.72 0.33 -0.42 0.00 4.11 -1.83 -2.74 114.58 119.75 1th7 h GLU 8 Ca 0.52 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.84 1th7 h GLU 8 Cb 0.59 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1th7 h GLU 8 CO 1.73 0.22 -0.09 1.15 0.07 0.00 0.00 179.01 182.10 1th7 h THR 9 N 0.34 1.27 -0.63 -1.06 2.02 -1.98 0.52 112.91 113.39 1th7 h THR 9 Ca 0.31 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.22 1th7 h THR 9 Cb 0.74 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1th7 h THR 9 CO -0.08 0.40 0.04 0.00 0.37 0.00 0.00 175.52 176.25 1th7 h ALA 10 N 0.86 0.85 -0.62 6.16 0.00 -1.91 -1.65 119.26 122.94 1th7 h ALA 10 Ca 0.11 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1th7 h ALA 10 Cb 0.61 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1th7 h ALA 10 CO 0.04 0.66 0.14 1.25 0.00 0.00 0.00 179.25 181.34 1th7 h HIS 11 N 1.00 1.05 -0.61 0.00 6.17 -1.34 -2.80 115.15 118.61 1th7 h HIS 11 Ca 0.18 -0.13 -0.03 0.00 0.71 0.00 0.00 60.37 61.11 1th7 h HIS 11 Cb 0.52 -0.29 -0.03 0.00 2.52 0.00 0.00 27.41 30.13 1th7 h HIS 11 CO 0.04 0.88 0.28 -0.22 0.71 0.00 0.00 177.93 179.62 1th7 h LYS 12 N 0.91 0.87 -0.46 5.26 3.64 -0.53 -0.42 116.57 125.84 1th7 h LYS 12 Ca 0.19 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1th7 h LYS 12 Cb 0.37 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1th7 h LYS 12 CO 0.00 0.69 0.19 0.28 -2.27 0.00 0.00 179.45 178.34 1th7 h VAL 13 N 0.87 1.21 -0.28 2.00 2.07 -1.06 -0.82 116.25 120.24 1th7 h VAL 13 Ca 0.21 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 1th7 h VAL 13 Cb 0.12 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1th7 h VAL 13 CO -0.03 0.24 -0.35 -0.07 0.02 0.00 0.00 177.57 177.39 1th7 h LEU 14 N 0.61 0.79 -0.98 2.57 3.38 -1.29 -1.92 115.31 118.47 1th7 h LEU 14 Ca 0.15 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1th7 h LEU 14 Cb 0.19 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1th7 h LEU 14 CO -0.01 1.13 0.56 0.00 0.09 0.00 0.00 178.44 180.21 1th7 h ALA 15 N 0.69 1.24 0.00 1.53 0.00 -0.98 -1.65 119.26 120.09 1th7 h ALA 15 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1th7 h ALA 15 Cb 0.93 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1th7 h ALA 15 CO 0.08 0.66 0.00 0.93 0.00 0.00 0.00 179.25 180.92 1th7 h GLU 16 N 1.28 0.00 0.00 0.00 5.08 -1.08 -2.97 114.58 116.90 1th7 h GLU 16 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1th7 h GLU 16 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1th7 h GLU 16 CO -0.06 0.00 -0.21 0.77 -1.00 0.00 0.00 179.01 178.51 1th7 h SER 17 N 0.00 0.00 -3.19 1.42 0.02 -0.48 -3.46 113.55 107.87 1th7 h SER 17 Ca 0.00 -0.04 -0.57 0.00 -0.84 0.00 0.00 61.79 60.35 1th7 h SER 17 Cb 0.75 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.39 1th7 h SER 17 CO 0.00 0.02 0.56 0.18 -1.14 0.00 0.00 176.83 176.45 1th7 n LEU 18 N -2.57 3.53 -0.96 5.07 4.77 -0.95 -1.24 117.00 124.66 1th7 n LEU 18 Ca 0.04 1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 57.09 1th7 n LEU 18 Cb 0.48 -1.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.03 1th7 n LEU 18 CO 0.34 -0.43 -0.12 0.59 -1.33 0.00 0.00 177.39 176.44 1th7 n ASN 19 N 1.15 -4.73 -4.25 -1.43 5.03 0.11 -4.97 115.26 106.18 1th7 n ASN 19 Ca 0.06 0.31 -0.14 0.00 0.87 0.00 0.00 54.58 55.68 1th7 n ASN 19 Cb 0.35 -3.33 -0.10 0.00 -1.02 0.00 0.00 39.78 35.68 1th7 n ASN 19 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1th7 s ASN 20 N -2.76 1.73 0.29 6.41 0.01 -0.37 -4.91 114.94 115.33 1th7 s ASN 20 Ca 0.00 -1.04 -0.29 0.00 -0.71 0.00 0.00 52.86 50.81 1th7 s ASN 20 Cb 0.00 0.00 -0.10 0.00 0.41 0.00 0.00 41.25 41.57 1th7 s ASN 20 CO 0.00 -0.37 1.17 -0.76 -1.51 0.00 0.00 177.10 175.63 1th7 s LEU 21 N -3.18 4.51 0.04 0.60 1.43 -1.26 -1.45 118.68 119.38 1th7 s LEU 21 Ca 0.18 2.39 -0.03 0.00 -1.03 0.00 0.00 54.13 55.64 1th7 s LEU 21 Cb 0.03 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1th7 s LEU 21 CO 0.01 -0.27 0.03 0.68 0.23 0.00 0.00 176.35 177.03 1th7 s VAL 22 N -1.05 0.16 -0.16 -1.59 -7.23 -0.18 -0.89 120.40 109.47 1th7 s VAL 22 Ca 0.47 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 59.30 1th7 s VAL 22 Cb -0.34 -1.02 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 1th7 s VAL 22 CO 0.44 -0.73 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.19 1th7 s LEU 23 N -2.33 2.85 -0.17 1.32 2.96 0.05 -1.97 118.68 121.40 1th7 s LEU 23 Ca -0.02 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1th7 s LEU 23 Cb 0.01 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 1th7 s LEU 23 CO -0.06 0.12 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.27 1th7 s VAL 24 N 0.61 2.78 -0.18 1.68 1.01 0.11 -1.03 120.40 125.38 1th7 s VAL 24 Ca -0.06 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1th7 s VAL 24 Cb -0.15 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1th7 s VAL 24 CO 0.03 0.50 0.36 -0.75 0.00 0.00 0.00 175.10 175.24 1th7 s LYS 25 N 0.98 4.21 0.39 2.72 2.47 -0.50 -1.43 119.74 128.58 1th7 s LYS 25 Ca -0.02 0.17 0.08 0.00 -1.56 0.00 0.00 55.97 54.64 1th7 s LYS 25 Cb -0.15 -3.50 -0.05 0.00 -1.46 0.00 0.00 37.83 32.68 1th7 s LYS 25 CO -0.02 0.06 0.18 -0.51 0.16 0.00 0.00 175.35 175.22 1th7 s LEU 26 N 1.00 3.18 0.85 5.43 1.43 0.98 -0.51 118.68 131.04 1th7 s LEU 26 Ca 0.18 -0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 52.23 1th7 s LEU 26 Cb -0.14 -1.58 0.10 0.00 0.03 0.00 0.00 46.19 44.60 1th7 s LEU 26 CO 0.07 -0.46 1.11 -0.54 0.23 0.00 0.00 176.35 176.76 1th7 s LYS 27 N -3.90 1.63 0.00 1.70 1.02 -0.59 -3.14 119.74 116.47 1th7 s LYS 27 Ca 0.40 1.30 0.00 0.00 0.02 0.00 0.00 55.97 57.69 1th7 s LYS 27 Cb 0.01 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1th7 s LYS 27 CO 0.23 -2.12 0.00 0.41 -0.92 0.00 0.00 175.35 172.95 1th7 n GLY 28 N -0.59 0.54 2.37 -3.33 0.00 -1.26 -3.61 105.19 99.31 1th7 n GLY 28 Ca 0.10 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 1th7 n GLY 28 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1th7 n ASN 29 N 0.33 -4.90 -4.87 1.61 4.13 -1.21 -5.00 115.26 105.34 1th7 n ASN 29 Ca 0.00 -0.05 -0.31 0.00 1.68 0.00 0.00 54.58 55.91 1th7 n ASN 29 Cb 0.00 -3.98 -0.05 0.00 -1.54 0.00 0.00 39.78 34.21 1th7 n ASN 29 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1th7 s LYS 30 N -4.91 3.24 0.01 3.52 -0.14 -1.19 -4.98 119.74 115.29 1th7 s LYS 30 Ca 0.04 -0.54 0.01 0.00 -1.36 0.00 0.00 55.97 54.12 1th7 s LYS 30 Cb -0.02 -2.92 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 1th7 s LYS 30 CO 0.04 0.59 -0.04 -1.21 -0.76 0.00 0.00 175.35 173.97 1th7 s GLU 31 N -2.50 0.31 0.03 1.68 2.02 -1.26 -0.01 118.70 118.96 1th7 s GLU 31 Ca 0.33 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.97 1th7 s GLU 31 Cb -0.13 -0.16 -0.02 0.00 0.10 0.00 0.00 34.13 33.92 1th7 s GLU 31 CO 0.26 0.03 -0.06 0.14 0.02 0.00 0.00 175.26 175.65 1th7 s VAL 32 N -0.68 0.39 0.07 2.63 -7.23 -0.52 -2.23 120.40 112.83 1th7 s VAL 32 Ca -0.05 -0.82 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1th7 s VAL 32 Cb -0.05 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 1th7 s VAL 32 CO -0.00 -0.29 -0.13 0.00 -0.31 0.00 0.00 175.10 174.37 1th7 s ARG 33 N -1.19 0.76 0.00 4.82 1.70 -0.91 0.06 118.95 124.19 1th7 s ARG 33 Ca -0.09 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.26 1th7 s ARG 33 Cb -0.08 -0.71 0.00 0.00 -0.57 0.00 0.00 34.95 33.59 1th7 s ARG 33 CO -0.00 0.15 0.00 0.41 -1.08 0.00 0.00 175.30 174.78 1th7 n GLY 34 N 1.30 -1.52 3.65 3.88 0.00 -0.83 -1.37 105.19 110.30 1th7 n GLY 34 Ca -0.21 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1th7 n GLY 34 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1th7 s MET 35 N -1.37 4.20 -0.06 1.61 1.75 -0.17 -1.01 119.30 124.25 1th7 s MET 35 Ca 0.00 0.90 -0.30 0.00 -1.25 0.00 0.00 55.69 55.05 1th7 s MET 35 Cb 0.00 -3.63 -0.04 0.00 2.84 0.00 0.00 34.83 34.00 1th7 s MET 35 CO 0.00 -0.45 1.44 -1.17 -0.65 0.00 0.00 175.02 174.19 1th7 s LEU 36 N 2.61 4.28 -0.00 4.11 2.96 -0.53 -0.60 118.68 131.51 1th7 s LEU 36 Ca 0.34 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 56.31 1th7 s LEU 36 Cb -0.16 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1th7 s LEU 36 CO 0.09 -0.79 0.10 0.54 -1.32 0.00 0.00 176.35 174.97 1th7 n ARG 37 N 6.27 3.99 -3.55 1.98 5.12 0.29 0.10 116.66 130.85 1th7 n ARG 37 Ca 0.15 -0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.92 1th7 n ARG 37 Cb 0.44 -0.79 -0.06 0.00 -1.16 0.00 0.00 32.46 30.89 1th7 n ARG 37 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1th7 s SER 38 N -1.65 -0.51 0.07 0.55 0.15 -1.15 -4.92 113.70 106.24 1th7 s SER 38 Ca 0.00 0.55 -0.26 0.00 0.70 0.00 0.00 55.95 56.94 1th7 s SER 38 Cb 0.02 0.41 0.07 0.00 -1.71 0.00 0.00 66.02 64.81 1th7 s SER 38 CO 0.12 -0.47 0.62 -0.72 1.20 0.00 0.00 173.24 173.99 1th7 s TYR 39 N -1.16 -0.57 0.28 3.44 -0.85 -1.26 -1.95 117.35 115.29 1th7 s TYR 39 Ca -0.06 0.64 0.06 0.00 -0.52 0.00 0.00 57.07 57.19 1th7 s TYR 39 Cb -0.00 0.47 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 1th7 s TYR 39 CO 0.05 -0.73 0.22 -0.40 -1.52 0.00 0.00 175.55 173.17 1th7 n ASP 40 N 0.20 -0.39 0.23 -0.18 5.68 -1.06 -4.95 116.55 116.08 1th7 n ASP 40 Ca -0.18 -2.79 0.16 0.00 -0.50 0.00 0.00 54.79 51.48 1th7 n ASP 40 Cb 0.61 1.31 0.80 0.00 -1.14 0.00 0.00 41.12 42.70 1th7 n ASP 40 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1th7 h GLN 41 N 0.00 0.00 -0.36 0.11 -0.00 -1.91 -0.23 115.11 112.72 1th7 h GLN 41 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 1th7 h GLN 41 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 1th7 h GLN 41 CO 0.29 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.84 1th7 n HIS 42 N -2.58 0.46 -2.21 0.06 8.25 -1.26 -0.92 115.22 117.01 1th7 n HIS 42 Ca -0.01 -0.23 -0.15 0.00 -0.26 0.00 0.00 57.72 57.07 1th7 n HIS 42 Cb 0.08 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 1th7 n HIS 42 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1th7 n MET 43 N 1.47 -1.16 -2.45 -0.41 2.81 -0.10 -4.28 117.12 113.00 1th7 n MET 43 Ca 0.19 0.74 -0.42 0.00 -1.81 0.00 0.00 57.70 56.40 1th7 n MET 43 Cb 0.60 -5.04 -0.03 0.00 -0.71 0.00 0.00 33.22 28.05 1th7 n MET 43 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1th7 s ASN 44 N -2.38 7.14 0.29 7.83 0.01 -1.26 -3.72 114.94 122.86 1th7 s ASN 44 Ca 0.00 2.06 0.04 0.00 -0.71 0.00 0.00 52.86 54.26 1th7 s ASN 44 Cb 0.00 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 1th7 s ASN 44 CO 0.00 -0.37 0.02 -0.76 -1.51 0.00 0.00 177.10 174.47 1th7 s LEU 45 N 0.42 2.26 -0.06 0.60 1.43 -0.20 -2.56 118.68 120.57 1th7 s LEU 45 Ca 0.55 -1.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1th7 s LEU 45 Cb -0.30 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.53 1th7 s LEU 45 CO 0.32 -0.52 -0.02 -0.69 0.23 0.00 0.00 176.35 175.67 1th7 s VAL 46 N -3.25 0.45 0.02 -1.59 1.01 -0.82 -0.07 120.40 116.16 1th7 s VAL 46 Ca 0.33 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.38 1th7 s VAL 46 Cb 0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1th7 s VAL 46 CO 0.13 0.24 -0.23 -0.76 0.00 0.00 0.00 175.10 174.48 1th7 s LEU 47 N 1.37 2.12 0.23 3.92 1.43 -0.46 -0.55 118.68 126.74 1th7 s LEU 47 Ca -0.04 -0.50 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1th7 s LEU 47 Cb -0.13 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1th7 s LEU 47 CO -0.02 0.23 -0.07 -0.94 0.23 0.00 0.00 176.35 175.77 1th7 s SER 48 N -0.96 4.27 -1.57 2.29 1.04 0.23 -1.06 113.70 117.93 1th7 s SER 48 Ca 0.09 -0.68 -0.14 0.00 0.48 0.00 0.00 55.95 55.70 1th7 s SER 48 Cb -0.09 -0.71 0.10 0.00 0.10 0.00 0.00 66.02 65.42 1th7 s SER 48 CO 0.01 0.05 0.89 0.47 0.98 0.00 0.00 173.24 175.64 1th7 n ASP 49 N -0.45 -4.02 -4.93 7.02 10.43 -1.09 -1.00 116.55 122.51 1th7 n ASP 49 Ca -0.08 -0.86 -0.26 0.00 2.57 0.00 0.00 54.79 56.16 1th7 n ASP 49 Cb 0.58 -3.51 0.05 0.00 1.84 0.00 0.00 41.12 40.07 1th7 n ASP 49 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1th7 s SER 50 N -3.39 5.26 -0.05 -2.24 1.04 0.05 -4.55 113.70 109.81 1th7 s SER 50 Ca 0.63 0.56 -0.28 0.00 0.48 0.00 0.00 55.95 57.35 1th7 s SER 50 Cb -0.33 -1.41 0.06 0.00 0.10 0.00 0.00 66.02 64.44 1th7 s SER 50 CO 0.86 -1.28 0.62 -1.83 0.98 0.00 0.00 173.24 172.59 1th7 s GLU 51 N -5.08 0.98 0.77 4.02 -1.05 -0.47 -0.67 118.70 117.21 1th7 s GLU 51 Ca 0.57 0.22 -0.12 0.00 -0.15 0.00 0.00 54.97 55.49 1th7 s GLU 51 Cb -0.11 0.46 0.06 0.00 -0.44 0.00 0.00 34.13 34.10 1th7 s GLU 51 CO 0.44 -0.29 1.12 -1.21 0.95 0.00 0.00 175.26 176.27 1th7 s GLU 52 N -1.13 2.29 -0.31 -4.83 2.02 0.30 -2.15 118.70 114.89 1th7 s GLU 52 Ca -0.11 0.42 0.02 0.00 0.02 0.00 0.00 54.97 55.33 1th7 s GLU 52 Cb -0.01 -1.96 0.09 0.00 0.10 0.00 0.00 34.13 32.35 1th7 s GLU 52 CO 0.09 -1.43 0.03 0.42 0.02 0.00 0.00 175.26 174.39 1th7 s ILE 53 N -3.34 1.80 0.57 -1.63 1.01 -0.95 -3.56 121.20 115.10 1th7 s ILE 53 Ca 0.60 -1.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.29 1th7 s ILE 53 Cb -0.12 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1th7 s ILE 53 CO 0.52 -0.49 0.95 -1.10 0.00 0.00 0.00 174.94 174.82 1th7 s GLN 54 N 1.18 3.62 0.65 2.79 -1.52 -1.11 -4.63 119.66 120.64 1th7 s GLN 54 Ca 0.06 0.60 0.41 0.00 -1.95 0.00 0.00 55.36 54.48 1th7 s GLN 54 Cb -0.19 -2.18 2.22 0.00 -0.22 0.00 0.00 33.01 32.65 1th7 s GLN 54 CO -0.12 -0.43 2.25 0.77 -0.25 0.00 0.00 175.29 177.51 1th7 h SER 55 N -0.02 0.00 -0.41 5.90 0.02 -2.00 0.72 113.55 117.76 1th7 h SER 55 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1th7 h SER 55 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1th7 h SER 55 CO 0.62 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.41 1th7 n ASP 56 N -2.99 4.57 0.00 3.07 5.75 -1.26 -4.94 116.55 120.75 1th7 n ASP 56 Ca -0.03 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 51.88 1th7 n ASP 56 Cb 0.13 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 1th7 n ASP 56 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1th7 n GLY 57 N 0.11 2.66 3.52 6.12 0.00 0.24 -4.94 105.19 112.89 1th7 n GLY 57 Ca 0.23 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.79 1th7 n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1th7 n SER 58 N 0.42 2.60 -4.48 1.61 3.41 -1.26 -4.53 113.62 111.39 1th7 n SER 58 Ca 0.00 0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 58.48 1th7 n SER 58 Cb 0.00 -1.40 -0.11 0.00 -0.26 0.00 0.00 64.21 62.44 1th7 n SER 58 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1th7 s GLY 59 N 7.99 1.96 -0.27 5.00 0.00 -1.26 -2.73 107.32 118.00 1th7 s GLY 59 Ca 1.06 -1.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.97 1th7 s GLY 59 CO 0.42 0.81 1.10 1.25 0.00 0.00 0.00 173.10 176.68 1th7 s LYS 60 N 1.67 4.14 0.21 2.90 2.20 -1.23 -4.71 119.74 124.92 1th7 s LYS 60 Ca 0.05 1.24 -0.31 0.00 -0.36 0.00 0.00 55.97 56.59 1th7 s LYS 60 Cb -0.18 -3.72 -0.10 0.00 -1.51 0.00 0.00 37.83 32.32 1th7 s LYS 60 CO 0.09 -0.81 1.50 0.15 -0.36 0.00 0.00 175.35 175.92 1th7 s LYS 61 N 3.53 4.24 0.00 4.03 1.02 -1.26 -0.54 119.74 130.75 1th7 s LYS 61 Ca 0.47 2.33 0.04 0.00 0.02 0.00 0.00 55.97 58.82 1th7 s LYS 61 Cb -0.14 -3.13 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 1th7 s LYS 61 CO 0.13 -0.51 0.26 1.28 -0.92 0.00 0.00 175.35 175.59 1th7 n LEU 62 N 3.03 0.44 0.00 3.17 4.77 0.16 -4.92 117.00 123.66 1th7 n LEU 62 Ca 0.10 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1th7 n LEU 62 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1th7 n LEU 62 CO 0.61 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1th7 n GLY 63 N 0.88 2.03 3.74 -0.72 0.00 -1.10 -4.65 105.19 105.37 1th7 n GLY 63 Ca 0.01 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1th7 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1th7 s THR 64 N 0.00 5.01 0.02 2.61 2.01 -1.26 -0.77 115.64 123.25 1th7 s THR 64 Ca 0.00 1.24 0.01 0.00 0.31 0.00 0.00 61.69 63.25 1th7 s THR 64 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1th7 s THR 64 CO 0.00 0.35 -0.05 0.27 -0.69 0.00 0.00 174.62 174.50 1th7 s ILE 65 N 0.25 0.33 -0.27 1.82 -4.36 -0.22 -4.99 121.20 113.77 1th7 s ILE 65 Ca 0.32 -0.57 -0.07 0.00 -0.26 0.00 0.00 60.65 60.07 1th7 s ILE 65 Cb -0.17 -0.36 -0.01 0.00 1.25 0.00 0.00 42.46 43.17 1th7 s ILE 65 CO 0.16 -0.16 0.07 -0.69 0.24 0.00 0.00 174.94 174.55 1th7 s VAL 66 N -0.72 4.08 -0.19 8.37 1.01 -1.26 -1.36 120.40 130.34 1th7 s VAL 66 Ca -0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1th7 s VAL 66 Cb -0.05 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1th7 s VAL 66 CO -0.00 0.23 0.09 -0.63 0.00 0.00 0.00 175.10 174.79 1th7 s ILE 67 N 1.55 5.03 -0.09 2.22 1.01 0.91 -4.96 121.20 126.86 1th7 s ILE 67 Ca 0.05 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 1th7 s ILE 67 Cb -0.16 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1th7 s ILE 67 CO 0.02 0.45 1.07 -0.60 0.00 0.00 0.00 174.94 175.89 1th7 s ARG 68 N 0.39 4.39 0.53 2.79 3.52 -1.26 -1.03 118.95 128.28 1th7 s ARG 68 Ca 0.05 1.48 0.26 0.00 -0.13 0.00 0.00 55.73 57.39 1th7 s ARG 68 Cb -0.12 -3.55 1.41 0.00 -1.56 0.00 0.00 34.95 31.13 1th7 s ARG 68 CO -0.01 -0.37 1.99 0.78 -0.81 0.00 0.00 175.30 176.89 1th7 h GLY 69 N 8.13 0.00 1.87 8.12 0.00 -1.74 -2.39 103.07 117.06 1th7 h GLY 69 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1th7 h GLY 69 CO 0.87 0.00 0.06 -1.80 0.00 0.00 0.00 176.54 175.67 1th7 h ASP 70 N 0.00 0.00 0.11 0.19 3.58 -1.88 -0.50 116.42 117.92 1th7 h ASP 70 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1th7 h ASP 70 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1th7 h ASP 70 CO -0.00 0.00 -0.37 0.59 -2.88 0.00 0.00 179.24 176.57 1th7 n ASN 71 N -3.06 1.52 -4.72 2.28 3.02 -0.90 -4.93 115.26 108.49 1th7 n ASN 71 Ca -0.03 -1.20 -0.41 0.00 -0.03 0.00 0.00 54.58 52.91 1th7 n ASN 71 Cb 0.13 0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 39.57 1th7 n ASN 71 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1th7 s VAL 72 N -2.49 4.96 -0.22 2.41 1.01 -0.20 -1.53 120.40 124.33 1th7 s VAL 72 Ca 0.21 1.69 -0.16 0.00 0.00 0.00 0.00 61.98 63.72 1th7 s VAL 72 Cb 0.19 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 1th7 s VAL 72 CO 0.55 0.22 -0.23 -0.38 0.00 0.00 0.00 175.10 175.27 1th7 n ILE 73 N 3.77 1.51 -3.67 2.22 2.08 0.33 -4.93 119.36 120.67 1th7 n ILE 73 Ca 0.01 -0.11 -0.11 0.00 0.56 0.00 0.00 62.75 63.10 1th7 n ILE 73 Cb 0.51 -2.09 -0.06 0.00 -0.75 0.00 0.00 39.64 37.25 1th7 n ILE 73 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 1th7 s LEU 74 N -7.77 0.55 -0.08 1.39 0.05 -1.18 -5.02 118.68 106.62 1th7 s LEU 74 Ca -0.32 -0.25 0.03 0.00 0.05 0.00 0.00 54.13 53.64 1th7 s LEU 74 Cb 0.09 1.69 0.01 0.00 -2.05 0.00 0.00 46.19 45.93 1th7 s LEU 74 CO 0.46 -0.77 -0.16 -0.63 -0.55 0.00 0.00 176.35 174.71 1th7 s ILE 75 N -3.34 1.44 -0.12 1.48 1.01 -1.26 -1.40 121.20 119.00 1th7 s ILE 75 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1th7 s ILE 75 Cb 0.01 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.21 1th7 s ILE 75 CO -0.09 0.42 -0.10 -0.55 0.00 0.00 0.00 174.94 174.63 1th7 s SER 76 N 0.65 2.31 0.21 3.58 0.15 -0.20 -4.98 113.70 115.42 1th7 s SER 76 Ca -0.14 -0.36 -0.30 0.00 0.70 0.00 0.00 55.95 55.85 1th7 s SER 76 Cb -0.16 -0.95 -0.09 0.00 -1.71 0.00 0.00 66.02 63.11 1th7 s SER 76 CO 0.04 -0.09 1.39 -2.84 1.20 0.00 0.00 173.24 172.94 1th7 s PRO 77 N 1.55 4.32 0.00 5.44 0.02 -1.26 -0.77 135.00 144.30 1th7 s PRO 77 Ca 0.03 2.18 0.26 0.00 0.02 0.00 0.00 61.00 63.50 1th7 s PRO 77 Cb -0.13 -3.16 0.64 0.00 0.02 0.00 0.00 34.50 31.87 1th7 s PRO 77 CO -0.08 -0.37 1.51 1.28 -0.33 0.00 0.00 177.00 179.02