#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 3.21 0.25 4.61 0.00 -1.26 -4.92 121.76 123.66 1th7 s ALA 2 Ca 0.00 1.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.93 1th7 s ALA 2 Cb 0.00 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 1th7 s ALA 2 CO 0.00 -0.94 1.66 -1.64 0.00 0.00 0.00 175.76 174.84 1th7 s MET 3 N -2.36 4.12 0.10 0.00 1.00 -0.22 -4.92 119.30 117.02 1th7 s MET 3 Ca 0.59 2.60 -0.31 0.00 0.00 0.00 0.00 55.69 58.57 1th7 s MET 3 Cb -0.39 -3.05 -0.07 0.00 0.00 0.00 0.00 34.83 31.32 1th7 s MET 3 CO 0.50 -0.70 1.30 1.21 0.00 0.00 0.00 175.02 177.33 1th7 s ASN 4 N 0.83 6.95 0.51 3.03 3.84 -1.26 -4.92 114.94 123.92 1th7 s ASN 4 Ca 0.69 2.20 0.16 0.00 0.21 0.00 0.00 52.86 56.12 1th7 s ASN 4 Cb -0.49 -2.59 1.23 0.00 -0.55 0.00 0.00 41.25 38.86 1th7 s ASN 4 CO 0.40 -0.55 2.12 2.19 -2.79 0.00 0.00 177.10 178.47 1th7 h PHE 5 N 6.63 0.00 -0.00 0.43 -5.15 -2.02 -1.45 116.94 115.38 1th7 h PHE 5 Ca -0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 1th7 h PHE 5 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 1th7 h PHE 5 CO 0.66 0.04 -0.04 1.28 -2.00 0.00 0.00 178.31 178.24 1th7 n LEU 6 N -4.47 0.20 -3.74 2.10 4.77 -1.26 -4.15 117.00 110.44 1th7 n LEU 6 Ca -0.03 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1th7 n LEU 6 Cb 0.12 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1th7 n LEU 6 CO 0.34 0.04 2.22 0.00 -1.33 0.00 0.00 177.39 178.66 1th7 n ALA 7 N -1.09 5.78 -0.35 -1.18 0.00 -0.55 -4.79 120.51 118.33 1th7 n ALA 7 Ca 0.16 -4.17 0.14 0.00 0.00 0.00 0.00 53.44 49.56 1th7 n ALA 7 Cb 0.24 -3.04 0.33 0.00 0.00 0.00 0.00 19.45 16.98 1th7 n ALA 7 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1th7 h GLU 8 N 5.52 0.67 -0.53 0.00 4.81 -1.82 -2.54 114.58 120.70 1th7 h GLU 8 Ca 0.50 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1th7 h GLU 8 Cb 0.55 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1th7 h GLU 8 CO 1.65 0.44 0.30 1.15 -0.73 0.00 0.00 179.01 181.82 1th7 h THR 9 N 0.69 1.17 -0.65 0.32 2.02 -1.95 0.64 112.91 115.14 1th7 h THR 9 Ca 0.59 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 1th7 h THR 9 Cb 0.98 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1th7 h THR 9 CO -0.41 0.18 0.26 0.00 0.37 0.00 0.00 175.52 175.91 1th7 h ALA 10 N 1.14 0.85 -0.43 6.16 0.00 -1.86 -1.53 119.26 123.59 1th7 h ALA 10 Ca 0.19 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1th7 h ALA 10 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1th7 h ALA 10 CO -0.03 0.47 -0.15 1.25 0.00 0.00 0.00 179.25 180.79 1th7 h HIS 11 N 0.93 0.89 -0.47 0.00 6.17 -1.32 -2.78 115.15 118.56 1th7 h HIS 11 Ca 0.22 -0.18 -0.05 0.00 0.71 0.00 0.00 60.37 61.07 1th7 h HIS 11 Cb 0.21 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.90 1th7 h HIS 11 CO 0.01 0.89 0.09 0.87 0.71 0.00 0.00 177.93 180.51 1th7 h LYS 12 N 0.71 0.73 -0.43 5.26 1.57 -0.43 -0.03 116.57 123.94 1th7 h LYS 12 Ca 0.11 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1th7 h LYS 12 Cb 0.65 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1th7 h LYS 12 CO 0.05 0.68 0.18 0.28 -0.57 0.00 0.00 179.45 180.07 1th7 h VAL 13 N 0.70 1.19 -0.36 0.50 2.07 -1.02 -0.00 116.25 119.33 1th7 h VAL 13 Ca 0.15 -0.59 -0.16 0.00 0.82 0.00 0.00 66.70 66.92 1th7 h VAL 13 Cb 0.30 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1th7 h VAL 13 CO 0.00 0.22 -0.41 -0.07 0.02 0.00 0.00 177.57 177.33 1th7 h LEU 14 N 0.56 0.97 -0.91 2.57 3.38 -1.30 -1.69 115.31 118.89 1th7 h LEU 14 Ca 0.15 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1th7 h LEU 14 Cb 0.17 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1th7 h LEU 14 CO -0.01 1.25 0.35 0.00 0.09 0.00 0.00 178.44 180.12 1th7 h ALA 15 N 0.79 1.14 0.00 1.53 0.00 -0.79 -1.64 119.26 120.28 1th7 h ALA 15 Ca 0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1th7 h ALA 15 Cb 1.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1th7 h ALA 15 CO 0.10 0.64 -0.56 0.93 0.00 0.00 0.00 179.25 180.36 1th7 h GLU 16 N 1.12 0.00 0.00 0.00 5.08 -0.92 -3.01 114.58 116.86 1th7 h GLU 16 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1th7 h GLU 16 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1th7 h GLU 16 CO -0.03 0.56 0.00 0.77 -1.00 0.00 0.00 179.01 179.31 1th7 h SER 17 N 0.00 0.00 -2.59 1.42 0.02 -0.67 -3.45 113.55 108.28 1th7 h SER 17 Ca -0.01 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1th7 h SER 17 Cb 1.08 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.69 1th7 h SER 17 CO 0.07 0.00 0.89 -0.11 -1.14 0.00 0.00 176.83 176.54 1th7 n LEU 18 N -2.71 3.66 -0.92 5.07 7.94 -0.68 -1.29 117.00 128.07 1th7 n LEU 18 Ca 0.04 1.08 -0.09 0.00 -1.11 0.00 0.00 56.01 55.93 1th7 n LEU 18 Cb 0.44 -1.51 -0.02 0.00 0.53 0.00 0.00 43.42 42.86 1th7 n LEU 18 CO 0.31 -0.04 -0.11 0.59 -1.11 0.00 0.00 177.39 177.03 1th7 n ASN 19 N 3.42 -3.59 -4.17 1.96 5.03 0.21 -4.98 115.26 113.14 1th7 n ASN 19 Ca 0.15 0.09 -0.10 0.00 0.87 0.00 0.00 54.58 55.59 1th7 n ASN 19 Cb 0.33 -2.47 -0.10 0.00 -1.02 0.00 0.00 39.78 36.51 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 -2.71 0.59 0.24 6.41 0.01 -0.41 -4.90 114.94 114.17 1th7 s ASN 20 Ca 0.00 -1.17 -0.30 0.00 -0.71 0.00 0.00 52.86 50.68 1th7 s ASN 20 Cb 0.00 0.23 -0.09 0.00 0.41 0.00 0.00 41.25 41.80 1th7 s ASN 20 CO 0.00 -0.67 1.19 -0.76 -1.51 0.00 0.00 177.10 175.35 1th7 s LEU 21 N -3.07 4.48 0.05 0.60 1.43 -1.26 -1.09 118.68 119.82 1th7 s LEU 21 Ca 0.22 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 1th7 s LEU 21 Cb 0.07 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1th7 s LEU 21 CO 0.01 -0.33 -0.04 0.68 0.23 0.00 0.00 176.35 176.89 1th7 s VAL 22 N -0.58 0.33 -0.15 -1.59 -7.23 0.08 -1.03 120.40 110.23 1th7 s VAL 22 Ca 0.50 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.19 1th7 s VAL 22 Cb -0.34 -1.06 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 1th7 s VAL 22 CO 0.41 -0.74 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.12 1th7 s LEU 23 N -2.33 2.73 -0.15 1.32 2.96 -0.14 -1.86 118.68 121.21 1th7 s LEU 23 Ca -0.01 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1th7 s LEU 23 Cb -0.00 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1th7 s LEU 23 CO -0.05 0.12 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.21 1th7 s VAL 24 N 0.61 2.21 -0.19 1.68 1.01 0.44 -0.67 120.40 125.50 1th7 s VAL 24 Ca -0.07 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1th7 s VAL 24 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1th7 s VAL 24 CO 0.03 0.54 0.37 -0.75 0.00 0.00 0.00 175.10 175.29 1th7 s LYS 25 N 0.87 4.21 0.32 2.72 2.47 -0.37 -1.38 119.74 128.59 1th7 s LYS 25 Ca -0.05 0.18 0.09 0.00 -1.56 0.00 0.00 55.97 54.63 1th7 s LYS 25 Cb -0.15 -3.50 -0.05 0.00 -1.46 0.00 0.00 37.83 32.67 1th7 s LYS 25 CO -0.03 0.05 0.02 -0.51 0.16 0.00 0.00 175.35 175.04 1th7 s LEU 26 N 1.05 3.05 0.62 5.43 1.43 0.16 -0.67 118.68 129.74 1th7 s LEU 26 Ca 0.19 -0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 52.22 1th7 s LEU 26 Cb -0.14 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1th7 s LEU 26 CO 0.07 -0.18 1.21 -0.54 0.23 0.00 0.00 176.35 177.14 1th7 s LYS 27 N -3.72 2.84 0.00 1.70 1.02 -0.49 -3.10 119.74 117.99 1th7 s LYS 27 Ca 0.34 1.81 0.00 0.00 0.02 0.00 0.00 55.97 58.14 1th7 s LYS 27 Cb -0.02 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1th7 s LYS 27 CO 0.20 -1.30 0.00 0.41 -0.92 0.00 0.00 175.35 173.73 1th7 n GLY 28 N 0.47 0.79 3.75 -3.33 0.00 -1.26 -4.19 105.19 101.41 1th7 n GLY 28 Ca 0.14 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 1.47 -1.75 -4.12 1.61 4.13 -1.25 -4.99 115.26 110.36 1th7 n ASN 29 Ca 0.00 -0.82 -0.27 0.00 1.68 0.00 0.00 54.58 55.17 1th7 n ASN 29 Cb 0.40 -3.99 -0.17 0.00 -1.54 0.00 0.00 39.78 34.49 1th7 n ASN 29 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1th7 s LYS 30 N -6.12 2.15 -0.06 3.52 2.20 -1.18 -5.03 119.74 115.22 1th7 s LYS 30 Ca 0.12 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.14 1th7 s LYS 30 Cb -0.06 -1.74 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1th7 s LYS 30 CO 0.82 0.14 -0.18 -1.21 -0.36 0.00 0.00 175.35 174.56 1th7 s GLU 31 N 0.37 2.10 0.05 4.03 2.02 -1.26 0.39 118.70 126.40 1th7 s GLU 31 Ca -0.13 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.29 1th7 s GLU 31 Cb -0.15 -1.72 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 1th7 s GLU 31 CO 0.05 0.18 -0.19 0.14 0.02 0.00 0.00 175.26 175.46 1th7 s VAL 32 N 0.26 1.52 -0.02 2.63 -7.23 -0.48 -1.19 120.40 115.88 1th7 s VAL 32 Ca -0.10 -1.20 0.04 0.00 -1.81 0.00 0.00 61.98 58.90 1th7 s VAL 32 Cb -0.14 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.45 1th7 s VAL 32 CO 0.04 0.11 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.21 1th7 s ARG 33 N -1.29 1.24 0.00 4.82 3.52 0.18 -0.42 118.95 127.01 1th7 s ARG 33 Ca 0.06 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1th7 s ARG 33 Cb -0.09 -1.14 0.00 0.00 -1.56 0.00 0.00 34.95 32.16 1th7 s ARG 33 CO 0.02 0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.14 1th7 n GLY 34 N 3.04 -1.23 3.66 8.12 0.00 -0.78 -0.33 105.19 117.67 1th7 n GLY 34 Ca -0.17 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1th7 n GLY 34 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1th7 s MET 35 N -1.19 4.25 -0.08 1.61 -1.94 -0.55 -0.75 119.30 120.65 1th7 s MET 35 Ca 0.00 0.98 -0.30 0.00 -1.71 0.00 0.00 55.69 54.66 1th7 s MET 35 Cb 0.00 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.19 1th7 s MET 35 CO 0.00 -0.41 1.47 -1.17 -0.01 0.00 0.00 175.02 174.90 1th7 s LEU 36 N 2.45 4.27 -0.00 -0.03 2.96 -0.25 -0.85 118.68 127.23 1th7 s LEU 36 Ca 0.37 2.02 0.06 0.00 -0.22 0.00 0.00 54.13 56.36 1th7 s LEU 36 Cb -0.16 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 1th7 s LEU 36 CO 0.10 -0.83 0.22 0.54 -1.32 0.00 0.00 176.35 175.06 1th7 n ARG 37 N 6.64 3.89 -3.59 1.98 5.12 0.29 0.67 116.66 131.67 1th7 n ARG 37 Ca 0.15 -0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.95 1th7 n ARG 37 Cb 0.44 -0.86 -0.06 0.00 -1.16 0.00 0.00 32.46 30.81 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 -1.83 -0.45 0.07 0.55 0.15 -1.18 -4.92 113.70 106.10 1th7 s SER 38 Ca 0.01 0.64 -0.20 0.00 0.70 0.00 0.00 55.95 57.10 1th7 s SER 38 Cb 0.04 0.57 0.05 0.00 -1.71 0.00 0.00 66.02 64.97 1th7 s SER 38 CO 0.24 -0.30 0.48 -0.72 1.20 0.00 0.00 173.24 174.14 1th7 s TYR 39 N -0.60 -0.35 0.21 3.44 -0.85 -1.26 -1.85 117.35 116.08 1th7 s TYR 39 Ca -0.01 0.30 0.04 0.00 -0.52 0.00 0.00 57.07 56.88 1th7 s TYR 39 Cb -0.02 0.31 -0.02 0.00 0.38 0.00 0.00 41.96 42.61 1th7 s TYR 39 CO -0.00 -0.65 0.16 -0.40 -1.52 0.00 0.00 175.55 173.14 1th7 n ASP 40 N 0.27 -0.22 0.25 -0.18 5.68 -1.04 -4.96 116.55 116.35 1th7 n ASP 40 Ca -0.18 -2.34 0.17 0.00 -0.50 0.00 0.00 54.79 51.94 1th7 n ASP 40 Cb 0.61 0.97 0.84 0.00 -1.14 0.00 0.00 41.12 42.40 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 -0.25 0.11 -0.00 -1.92 -1.32 115.11 111.74 1th7 h GLN 41 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1th7 h GLN 41 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.22 1th7 h GLN 41 CO 0.22 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.77 1th7 n HIS 42 N -2.78 0.31 -2.00 0.06 8.25 -1.26 -1.06 115.22 116.74 1th7 n HIS 42 Ca -0.01 -0.16 -0.12 0.00 -0.26 0.00 0.00 57.72 57.18 1th7 n HIS 42 Cb 0.15 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 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 1.20 -0.92 -2.44 -0.41 2.81 -0.50 -4.25 117.12 112.62 1th7 n MET 43 Ca 0.18 0.66 -0.41 0.00 -1.81 0.00 0.00 57.70 56.32 1th7 n MET 43 Cb 0.55 -4.78 -0.04 0.00 -0.71 0.00 0.00 33.22 28.24 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 -2.57 7.17 0.26 7.83 0.01 -1.26 -3.56 114.94 122.81 1th7 s ASN 44 Ca 0.00 2.15 0.03 0.00 -0.71 0.00 0.00 52.86 54.33 1th7 s ASN 44 Cb 0.00 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 1th7 s ASN 44 CO 0.00 -0.31 0.02 -0.76 -1.51 0.00 0.00 177.10 174.54 1th7 s LEU 45 N -0.19 2.12 -0.06 0.60 1.43 -0.49 -2.50 118.68 119.59 1th7 s LEU 45 Ca 0.52 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1th7 s LEU 45 Cb -0.31 -0.27 0.02 0.00 0.03 0.00 0.00 46.19 45.67 1th7 s LEU 45 CO 0.35 -0.56 -0.03 -0.69 0.23 0.00 0.00 176.35 175.66 1th7 s VAL 46 N -3.43 0.49 0.03 -1.59 1.01 -0.77 -0.05 120.40 116.08 1th7 s VAL 46 Ca 0.32 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.34 1th7 s VAL 46 Cb 0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1th7 s VAL 46 CO 0.11 0.24 -0.24 -0.76 0.00 0.00 0.00 175.10 174.45 1th7 s LEU 47 N 1.32 2.13 0.24 3.92 1.43 -0.58 -0.55 118.68 126.59 1th7 s LEU 47 Ca -0.05 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 1th7 s LEU 47 Cb -0.13 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1th7 s LEU 47 CO -0.02 0.25 -0.02 -0.94 0.23 0.00 0.00 176.35 175.84 1th7 s SER 48 N -1.02 4.51 -1.55 2.29 1.04 -0.03 -1.20 113.70 117.74 1th7 s SER 48 Ca 0.10 -0.60 -0.15 0.00 0.48 0.00 0.00 55.95 55.78 1th7 s SER 48 Cb -0.09 -0.84 0.11 0.00 0.10 0.00 0.00 66.02 65.30 1th7 s SER 48 CO 0.01 0.03 0.82 0.47 0.98 0.00 0.00 173.24 175.55 1th7 n ASP 49 N -0.60 -4.12 -4.87 7.02 9.92 -1.14 -1.48 116.55 121.28 1th7 n ASP 49 Ca -0.08 -0.78 -0.31 0.00 -0.53 0.00 0.00 54.79 53.10 1th7 n ASP 49 Cb 0.58 -3.33 0.01 0.00 -0.64 0.00 0.00 41.12 37.74 1th7 n ASP 49 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1th7 s SER 50 N -3.16 6.19 0.01 -2.24 1.04 0.07 -4.64 113.70 110.97 1th7 s SER 50 Ca 0.64 1.41 -0.00 0.00 0.48 0.00 0.00 55.95 58.48 1th7 s SER 50 Cb -0.34 -2.45 -0.01 0.00 0.10 0.00 0.00 66.02 63.32 1th7 s SER 50 CO 0.79 -0.89 -0.02 -1.61 0.98 0.00 0.00 173.24 172.49 1th7 s GLU 51 N -5.18 0.24 -0.25 4.02 2.02 0.56 -0.40 118.70 119.70 1th7 s GLU 51 Ca 0.55 -0.45 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 1th7 s GLU 51 Cb -0.11 0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.16 1th7 s GLU 51 CO 0.54 -0.04 0.18 -2.00 0.02 0.00 0.00 175.26 173.96 1th7 s GLU 52 N -1.10 4.03 0.02 1.61 2.12 0.38 -0.64 118.70 125.12 1th7 s GLU 52 Ca -0.12 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 1th7 s GLU 52 Cb -0.07 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 1th7 s GLU 52 CO -0.01 -0.02 1.29 0.42 -0.54 0.00 0.00 175.26 176.40 1th7 s ILE 53 N 1.30 3.89 0.69 -3.70 -1.09 -0.34 -0.92 121.20 121.03 1th7 s ILE 53 Ca 0.08 1.30 -0.03 0.00 -2.23 0.00 0.00 60.65 59.77 1th7 s ILE 53 Cb -0.14 -3.84 0.09 0.00 -1.58 0.00 0.00 42.46 36.99 1th7 s ILE 53 CO 0.07 0.04 0.97 -1.10 -1.23 0.00 0.00 174.94 173.69 1th7 s GLN 54 N 1.78 2.00 0.12 2.79 -1.52 0.20 -4.66 119.66 120.37 1th7 s GLN 54 Ca 0.60 -0.68 -0.20 0.00 -1.95 0.00 0.00 55.36 53.13 1th7 s GLN 54 Cb -0.30 -2.28 -0.07 0.00 -0.22 0.00 0.00 33.01 30.14 1th7 s GLN 54 CO 0.27 -1.25 1.75 0.77 -0.25 0.00 0.00 175.29 176.57 1th7 h SER 55 N -0.48 0.05 0.03 5.90 0.02 -1.96 -0.63 113.55 116.49 1th7 h SER 55 Ca -0.41 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1th7 h SER 55 Cb 1.29 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1th7 h SER 55 CO 0.50 0.05 0.00 -0.90 -1.14 0.00 0.00 176.83 175.34 1th7 n ASP 56 N -5.06 0.00 0.00 3.07 5.68 -1.26 -4.80 116.55 114.18 1th7 n ASP 56 Ca -0.04 -0.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.95 1th7 n ASP 56 Cb 0.06 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1th7 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1th7 n GLY 57 N -0.27 0.91 3.88 6.12 0.00 -0.24 -5.06 105.19 110.53 1th7 n GLY 57 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1th7 n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1th7 s SER 58 N -2.97 5.23 -0.09 1.61 1.04 -1.26 -4.65 113.70 112.62 1th7 s SER 58 Ca 0.00 1.09 0.01 0.00 0.48 0.00 0.00 55.95 57.53 1th7 s SER 58 Cb 0.00 -1.84 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 1th7 s SER 58 CO 0.00 -1.47 -0.10 -0.83 0.98 0.00 0.00 173.24 171.82 1th7 s GLY 59 N -4.35 1.62 -0.26 7.32 0.00 -1.26 0.61 107.32 110.99 1th7 s GLY 59 Ca 0.59 -0.91 -0.07 0.00 0.00 0.00 0.00 44.72 44.33 1th7 s GLY 59 CO 0.52 -0.52 0.06 1.25 0.00 0.00 0.00 173.10 174.40 1th7 s LYS 60 N -0.40 3.44 0.16 2.90 2.20 -0.10 -4.86 119.74 123.09 1th7 s LYS 60 Ca 0.05 -0.62 -0.34 0.00 -0.36 0.00 0.00 55.97 54.71 1th7 s LYS 60 Cb -0.12 -3.31 -0.14 0.00 -1.51 0.00 0.00 37.83 32.75 1th7 s LYS 60 CO 0.02 -0.27 1.46 1.63 -0.36 0.00 0.00 175.35 177.83 1th7 n LYS 61 N 4.89 1.84 -0.01 4.03 5.02 -1.26 -0.47 118.16 132.20 1th7 n LYS 61 Ca -0.16 0.66 -0.02 0.00 -2.02 0.00 0.00 58.31 56.78 1th7 n LYS 61 Cb 0.50 -2.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.14 1th7 n LYS 61 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1th7 n LEU 62 N 2.83 1.43 0.00 -0.35 4.77 0.46 -4.85 117.00 121.29 1th7 n LEU 62 Ca 0.16 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1th7 n LEU 62 Cb 0.27 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1th7 n LEU 62 CO 0.63 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1th7 n GLY 63 N 3.09 0.74 3.74 -0.72 0.00 -0.99 -4.84 105.19 106.21 1th7 n GLY 63 Ca -0.05 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 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 5.02 0.01 2.61 2.01 -1.26 -0.75 115.64 123.28 1th7 s THR 64 Ca 0.00 1.19 0.02 0.00 0.31 0.00 0.00 61.69 63.21 1th7 s THR 64 Cb 0.00 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1th7 s THR 64 CO 0.00 0.36 -0.06 0.27 -0.69 0.00 0.00 174.62 174.50 1th7 s ILE 65 N 0.22 0.49 -0.25 1.82 -4.36 -0.34 -4.99 121.20 113.78 1th7 s ILE 65 Ca 0.31 -0.51 -0.05 0.00 -0.26 0.00 0.00 60.65 60.13 1th7 s ILE 65 Cb -0.17 -0.46 -0.00 0.00 1.25 0.00 0.00 42.46 43.07 1th7 s ILE 65 CO 0.15 -0.03 0.02 -0.69 0.24 0.00 0.00 174.94 174.63 1th7 s VAL 66 N -0.53 3.72 -0.15 8.37 1.01 -1.26 -1.53 120.40 130.03 1th7 s VAL 66 Ca -0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1th7 s VAL 66 Cb -0.05 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1th7 s VAL 66 CO 0.00 0.26 0.02 -0.63 0.00 0.00 0.00 175.10 174.76 1th7 s ILE 67 N 1.50 4.46 -0.16 2.22 1.01 0.92 -4.97 121.20 126.18 1th7 s ILE 67 Ca 0.04 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 1th7 s ILE 67 Cb -0.16 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 1th7 s ILE 67 CO -0.00 0.51 1.07 -0.60 0.00 0.00 0.00 174.94 175.91 1th7 s ARG 68 N 0.06 4.33 0.54 2.79 3.52 -1.26 -1.40 118.95 127.53 1th7 s ARG 68 Ca 0.03 1.44 0.24 0.00 -0.13 0.00 0.00 55.73 57.31 1th7 s ARG 68 Cb -0.13 -3.61 1.44 0.00 -1.56 0.00 0.00 34.95 31.09 1th7 s ARG 68 CO 0.02 -0.50 2.06 0.78 -0.81 0.00 0.00 175.30 176.84 1th7 h GLY 69 N 8.81 0.00 1.94 8.12 0.00 -1.73 -2.25 103.07 117.95 1th7 h GLY 69 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1th7 h GLY 69 CO 0.92 0.00 0.03 -1.80 0.00 0.00 0.00 176.54 175.69 1th7 h ASP 70 N 0.00 0.00 -0.16 0.19 1.82 -1.87 0.06 116.42 116.46 1th7 h ASP 70 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1th7 h ASP 70 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1th7 h ASP 70 CO -0.00 0.00 0.00 0.59 -1.61 0.00 0.00 179.24 178.22 1th7 n ASN 71 N -2.94 3.07 -4.71 2.28 3.02 -0.85 -4.94 115.26 110.19 1th7 n ASN 71 Ca -0.03 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 1th7 n ASN 71 Cb 0.09 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.72 4.82 -0.18 2.41 1.01 0.01 -1.40 120.40 125.35 1th7 s VAL 72 Ca 0.30 1.99 -0.14 0.00 0.00 0.00 0.00 61.98 64.14 1th7 s VAL 72 Cb 0.20 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1th7 s VAL 72 CO 0.29 0.20 -0.30 -0.38 0.00 0.00 0.00 175.10 174.91 1th7 n ILE 73 N 3.66 1.39 -4.04 2.22 5.41 0.15 -4.93 119.36 123.22 1th7 n ILE 73 Ca 0.04 -0.04 -0.11 0.00 1.00 0.00 0.00 62.75 63.65 1th7 n ILE 73 Cb 0.51 -2.05 -0.11 0.00 -0.71 0.00 0.00 39.64 37.27 1th7 n ILE 73 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1th7 s LEU 74 N -7.55 2.28 -0.10 1.39 1.43 -1.15 -5.00 118.68 109.98 1th7 s LEU 74 Ca -0.28 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1th7 s LEU 74 Cb 0.07 -0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.28 1th7 s LEU 74 CO 0.38 -0.28 -0.08 -0.63 0.23 0.00 0.00 176.35 175.97 1th7 s ILE 75 N -1.74 1.01 -0.18 -0.59 1.01 -1.26 -1.23 121.20 118.21 1th7 s ILE 75 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1th7 s ILE 75 Cb -0.08 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.42 1th7 s ILE 75 CO -0.01 0.36 -0.07 -0.55 0.00 0.00 0.00 174.94 174.66 1th7 s SER 76 N 1.49 3.13 0.23 3.58 0.15 0.16 -4.98 113.70 117.45 1th7 s SER 76 Ca 0.01 -0.79 -0.30 0.00 0.70 0.00 0.00 55.95 55.57 1th7 s SER 76 Cb -0.13 -1.05 -0.10 0.00 -1.71 0.00 0.00 66.02 63.03 1th7 s SER 76 CO -0.06 -0.17 1.40 -2.84 1.20 0.00 0.00 173.24 172.77 1th7 s PRO 77 N 1.53 4.31 0.00 5.44 0.02 -1.26 -0.97 135.00 144.06 1th7 s PRO 77 Ca -0.01 2.22 0.12 0.00 0.02 0.00 0.00 61.00 63.36 1th7 s PRO 77 Cb -0.16 -3.14 0.72 0.00 0.02 0.00 0.00 34.50 31.94 1th7 s PRO 77 CO -0.08 -0.37 1.15 1.28 -0.33 0.00 0.00 177.00 178.65