#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 3.03 0.25 4.61 0.00 -1.26 -4.92 121.76 123.46 1th7 s ALA 2 Ca 0.00 1.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 1th7 s ALA 2 Cb 0.00 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 1th7 s ALA 2 CO 0.00 -1.18 1.66 -1.64 0.00 0.00 0.00 175.76 174.60 1th7 s MET 3 N -2.66 4.12 0.20 0.00 1.00 -0.31 -4.89 119.30 116.77 1th7 s MET 3 Ca 0.66 2.59 -0.31 0.00 0.00 0.00 0.00 55.69 58.62 1th7 s MET 3 Cb -0.40 -3.05 -0.11 0.00 0.00 0.00 0.00 34.83 31.27 1th7 s MET 3 CO 0.49 -0.70 1.60 1.21 0.00 0.00 0.00 175.02 177.63 1th7 s ASN 4 N 0.86 6.51 0.35 3.03 3.84 -1.26 -4.89 114.94 123.37 1th7 s ASN 4 Ca 0.69 2.74 0.12 0.00 0.21 0.00 0.00 52.86 56.62 1th7 s ASN 4 Cb -0.49 -2.60 0.94 0.00 -0.55 0.00 0.00 41.25 38.55 1th7 s ASN 4 CO 0.39 -0.87 1.75 0.15 -2.79 0.00 0.00 177.10 175.74 1th7 h PHE 5 N 6.39 0.89 -0.01 0.43 3.57 -2.02 -1.40 116.94 124.78 1th7 h PHE 5 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1th7 h PHE 5 Cb 1.21 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1th7 h PHE 5 CO 0.63 0.09 -0.15 1.28 -2.23 0.00 0.00 178.31 177.94 1th7 n LEU 6 N -4.76 1.56 -3.77 0.59 4.77 -1.26 -4.60 117.00 109.52 1th7 n LEU 6 Ca 0.26 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 1th7 n LEU 6 Cb 0.76 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1th7 n LEU 6 CO 0.21 0.27 2.65 0.00 -1.33 0.00 0.00 177.39 179.19 1th7 n ALA 7 N -0.02 5.47 -0.31 -1.18 0.00 -0.53 -4.77 120.51 119.16 1th7 n ALA 7 Ca 0.15 -3.88 0.10 0.00 0.00 0.00 0.00 53.44 49.80 1th7 n ALA 7 Cb 0.39 -3.54 0.27 0.00 0.00 0.00 0.00 19.45 16.57 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 6.06 0.62 -0.64 0.00 4.81 -1.83 -2.70 114.58 120.90 1th7 h GLU 8 Ca 0.56 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.76 1th7 h GLU 8 Cb 0.65 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1th7 h GLU 8 CO 1.87 0.41 0.42 1.15 -0.73 0.00 0.00 179.01 182.13 1th7 h THR 9 N 0.64 1.16 -0.45 0.32 2.02 -1.98 -0.40 112.91 114.22 1th7 h THR 9 Ca 0.51 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 67.31 1th7 h THR 9 Cb 0.79 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1th7 h THR 9 CO -0.39 0.16 -0.05 0.00 0.37 0.00 0.00 175.52 175.61 1th7 h ALA 10 N 1.23 0.61 -0.67 6.16 0.00 -1.90 -2.16 119.26 122.53 1th7 h ALA 10 Ca 0.23 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1th7 h ALA 10 Cb -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1th7 h ALA 10 CO -0.05 0.45 0.25 1.25 0.00 0.00 0.00 179.25 181.14 1th7 h HIS 11 N 0.66 1.02 -0.82 0.00 6.17 -1.28 -2.57 115.15 118.33 1th7 h HIS 11 Ca 0.12 -0.08 -0.04 0.00 0.71 0.00 0.00 60.37 61.09 1th7 h HIS 11 Cb 0.56 -0.31 -0.04 0.00 2.52 0.00 0.00 27.41 30.15 1th7 h HIS 11 CO 0.04 0.79 0.36 -0.22 0.71 0.00 0.00 177.93 179.62 1th7 h LYS 12 N 0.98 1.21 -0.35 5.26 3.64 -0.83 0.84 116.57 127.32 1th7 h LYS 12 Ca 0.22 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1th7 h LYS 12 Cb 0.22 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1th7 h LYS 12 CO -0.02 0.95 0.23 0.28 -2.27 0.00 0.00 179.45 178.62 1th7 h VAL 13 N 1.18 1.08 -0.43 2.00 2.07 -1.00 -0.06 116.25 121.11 1th7 h VAL 13 Ca 0.28 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 67.49 1th7 h VAL 13 Cb 0.17 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1th7 h VAL 13 CO -0.03 0.08 -0.31 -0.07 0.02 0.00 0.00 177.57 177.26 1th7 h LEU 14 N 0.47 1.01 -1.03 2.57 3.38 -1.24 -1.97 115.31 118.50 1th7 h LEU 14 Ca 0.13 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1th7 h LEU 14 Cb -0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1th7 h LEU 14 CO -0.03 1.23 0.41 0.00 0.09 0.00 0.00 178.44 180.14 1th7 h ALA 15 N 0.83 1.25 0.00 1.53 0.00 -0.58 -2.02 119.26 120.27 1th7 h ALA 15 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1th7 h ALA 15 Cb 0.90 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1th7 h ALA 15 CO 0.08 0.60 0.00 0.93 0.00 0.00 0.00 179.25 180.86 1th7 h GLU 16 N 1.10 0.00 0.00 0.00 5.08 -0.90 -3.09 114.58 116.77 1th7 h GLU 16 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1th7 h GLU 16 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1th7 h GLU 16 CO -0.04 0.00 -0.47 0.77 -1.00 0.00 0.00 179.01 178.27 1th7 h SER 17 N 0.00 0.00 -2.69 1.42 0.02 -0.66 -3.46 113.55 108.19 1th7 h SER 17 Ca 0.00 -0.11 -0.57 0.00 -0.84 0.00 0.00 61.79 60.27 1th7 h SER 17 Cb 0.83 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.45 1th7 h SER 17 CO 0.00 0.05 0.69 -0.11 -1.14 0.00 0.00 176.83 176.33 1th7 n LEU 18 N -2.35 3.30 -1.23 5.07 -0.00 -0.90 -1.08 117.00 119.82 1th7 n LEU 18 Ca 0.03 1.13 -0.14 0.00 -0.00 0.00 0.00 56.01 57.03 1th7 n LEU 18 Cb 0.46 -1.45 -0.05 0.00 -0.00 0.00 0.00 43.42 42.38 1th7 n LEU 18 CO 0.35 -0.35 -0.15 0.59 -0.00 0.00 0.00 177.39 177.84 1th7 n ASN 19 N 2.43 -4.60 -4.22 1.96 5.03 0.35 -4.96 115.26 111.24 1th7 n ASN 19 Ca 0.12 0.25 -0.13 0.00 0.87 0.00 0.00 54.58 55.69 1th7 n ASN 19 Cb 0.32 -3.45 -0.10 0.00 -1.02 0.00 0.00 39.78 35.52 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 -2.72 1.28 0.19 6.41 0.02 -0.24 -4.88 114.94 115.01 1th7 s ASN 20 Ca 0.00 -1.10 -0.30 0.00 -1.02 0.00 0.00 52.86 50.44 1th7 s ASN 20 Cb 0.00 0.09 -0.09 0.00 0.02 0.00 0.00 41.25 41.28 1th7 s ASN 20 CO 0.00 -0.50 1.29 -0.76 0.02 0.00 0.00 177.10 177.14 1th7 s LEU 21 N -3.14 4.42 0.06 0.60 1.43 -1.26 -1.36 118.68 119.43 1th7 s LEU 21 Ca 0.19 2.36 -0.00 0.00 -1.03 0.00 0.00 54.13 55.66 1th7 s LEU 21 Cb 0.05 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1th7 s LEU 21 CO 0.01 -0.50 -0.04 0.68 0.23 0.00 0.00 176.35 176.73 1th7 s VAL 22 N 0.10 0.33 -0.12 -1.59 -7.23 -0.24 -0.43 120.40 111.22 1th7 s VAL 22 Ca 0.56 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1th7 s VAL 22 Cb -0.36 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1th7 s VAL 22 CO 0.38 -0.87 -0.11 -0.22 -0.31 0.00 0.00 175.10 173.97 1th7 s LEU 23 N -2.68 2.84 -0.15 1.32 2.96 0.63 -2.03 118.68 121.59 1th7 s LEU 23 Ca 0.04 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1th7 s LEU 23 Cb 0.04 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1th7 s LEU 23 CO -0.07 0.21 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.32 1th7 s VAL 24 N 0.09 1.67 -0.08 1.68 1.01 0.36 -0.43 120.40 124.69 1th7 s VAL 24 Ca -0.05 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1th7 s VAL 24 Cb -0.14 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1th7 s VAL 24 CO 0.04 0.47 0.49 -0.54 0.00 0.00 0.00 175.10 175.56 1th7 s LYS 25 N 1.33 4.28 0.21 2.72 1.02 -0.45 -1.81 119.74 127.04 1th7 s LYS 25 Ca 0.02 0.49 0.12 0.00 0.02 0.00 0.00 55.97 56.62 1th7 s LYS 25 Cb -0.13 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 1th7 s LYS 25 CO -0.09 0.27 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.86 1th7 s LEU 26 N 0.26 2.46 -0.20 3.17 1.43 -1.26 -0.53 118.68 124.00 1th7 s LEU 26 Ca 0.26 -0.89 -0.18 0.00 -1.03 0.00 0.00 54.13 52.30 1th7 s LEU 26 Cb -0.16 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 1th7 s LEU 26 CO 0.12 0.11 0.48 -0.75 0.23 0.00 0.00 176.35 176.54 1th7 s LYS 27 N -2.80 4.18 -0.13 1.70 2.20 0.45 -4.04 119.74 121.29 1th7 s LYS 27 Ca 0.22 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 1th7 s LYS 27 Cb -0.07 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1th7 s LYS 27 CO 0.11 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1th7 n GLY 28 N 3.94 0.44 3.53 5.54 0.00 -1.26 -4.92 105.19 112.46 1th7 n GLY 28 Ca -0.06 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1th7 n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1th7 s ASN 29 N -2.98 -0.50 0.68 1.61 2.47 -1.26 -5.15 114.94 109.81 1th7 s ASN 29 Ca 0.00 0.44 -0.15 0.00 0.42 0.00 0.00 52.86 53.57 1th7 s ASN 29 Cb 0.00 0.43 0.01 0.00 -1.45 0.00 0.00 41.25 40.25 1th7 s ASN 29 CO 0.00 -0.54 1.14 -0.54 -3.72 0.00 0.00 177.10 173.44 1th7 s LYS 30 N -1.64 2.58 0.66 0.43 -0.14 -1.26 -4.33 119.74 116.03 1th7 s LYS 30 Ca -0.04 1.51 -0.18 0.00 -1.36 0.00 0.00 55.97 55.90 1th7 s LYS 30 Cb -0.00 -1.91 -0.01 0.00 -1.68 0.00 0.00 37.83 34.22 1th7 s LYS 30 CO 0.02 -1.44 1.22 0.39 -0.76 0.00 0.00 175.35 174.78 1th7 n GLU 31 N -2.52 1.00 -4.30 1.68 4.71 -1.26 -4.67 120.64 115.27 1th7 n GLU 31 Ca 0.11 0.40 -0.21 0.00 -0.01 0.00 0.00 57.16 57.45 1th7 n GLU 31 Cb 0.51 -2.46 -0.13 0.00 -1.01 0.00 0.00 31.44 28.36 1th7 n GLU 31 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1th7 s VAL 32 N -1.46 1.31 0.05 2.62 -7.23 -0.75 -1.17 120.40 113.76 1th7 s VAL 32 Ca 0.81 -1.25 0.06 0.00 -1.81 0.00 0.00 61.98 59.79 1th7 s VAL 32 Cb -0.38 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 1th7 s VAL 32 CO 0.42 -0.07 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.84 1th7 s ARG 33 N -1.53 1.12 0.00 4.82 0.52 -0.56 -0.49 118.95 122.83 1th7 s ARG 33 Ca 0.02 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 1th7 s ARG 33 Cb -0.09 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 34.18 1th7 s ARG 33 CO 0.02 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1th7 n GLY 34 N 1.78 -1.57 3.66 -3.53 0.00 -0.86 -0.70 105.19 103.97 1th7 n GLY 34 Ca -0.18 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.90 4.29 -0.12 1.61 -1.94 -0.44 -1.08 119.30 119.71 1th7 s MET 35 Ca 0.00 1.20 -0.29 0.00 -1.71 0.00 0.00 55.69 54.89 1th7 s MET 35 Cb 0.00 -3.60 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 1th7 s MET 35 CO 0.00 -0.47 1.39 -1.17 -0.01 0.00 0.00 175.02 174.76 1th7 s LEU 36 N 2.63 4.23 -0.00 -0.03 2.96 -0.46 -1.07 118.68 126.94 1th7 s LEU 36 Ca 0.42 1.89 0.05 0.00 -0.22 0.00 0.00 54.13 56.27 1th7 s LEU 36 Cb -0.16 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1th7 s LEU 36 CO 0.10 -0.81 0.21 0.54 -1.32 0.00 0.00 176.35 175.07 1th7 n ARG 37 N 6.67 4.45 -3.58 1.98 5.12 -0.25 0.13 116.66 131.19 1th7 n ARG 37 Ca 0.15 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.94 1th7 n ARG 37 Cb 0.44 -0.81 -0.06 0.00 -1.16 0.00 0.00 32.46 30.87 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 -1.68 -0.47 0.07 0.55 0.15 -1.19 -4.91 113.70 106.22 1th7 s SER 38 Ca 0.01 0.64 -0.24 0.00 0.70 0.00 0.00 55.95 57.06 1th7 s SER 38 Cb 0.04 0.56 0.06 0.00 -1.71 0.00 0.00 66.02 64.97 1th7 s SER 38 CO 0.22 -0.35 0.59 -0.72 1.20 0.00 0.00 173.24 174.17 1th7 s TYR 39 N -0.73 -0.52 0.25 3.44 -0.85 -1.26 -2.14 117.35 115.55 1th7 s TYR 39 Ca -0.03 0.55 0.06 0.00 -0.52 0.00 0.00 57.07 57.13 1th7 s TYR 39 Cb -0.02 0.44 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 1th7 s TYR 39 CO 0.02 -0.72 0.21 -0.40 -1.52 0.00 0.00 175.55 173.14 1th7 n ASP 40 N 0.18 -0.53 0.24 -0.18 5.68 -1.09 -4.95 116.55 115.90 1th7 n ASP 40 Ca -0.18 -2.64 0.17 0.00 -0.50 0.00 0.00 54.79 51.64 1th7 n ASP 40 Cb 0.62 1.25 0.83 0.00 -1.14 0.00 0.00 41.12 42.68 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 -0.35 0.11 -0.00 -1.92 -0.36 115.11 112.58 1th7 h GLN 41 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.48 1th7 h GLN 41 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.38 1th7 h GLN 41 CO 0.26 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.81 1th7 n HIS 42 N -2.69 0.45 -2.39 0.06 8.25 -1.26 -1.16 115.22 116.47 1th7 n HIS 42 Ca -0.01 -0.22 -0.15 0.00 -0.26 0.00 0.00 57.72 57.07 1th7 n HIS 42 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.67 -2.50 -0.41 2.81 -0.15 -4.32 117.12 112.35 1th7 n MET 43 Ca 0.19 0.70 -0.42 0.00 -1.81 0.00 0.00 57.70 56.36 1th7 n MET 43 Cb 0.60 -5.02 -0.03 0.00 -0.71 0.00 0.00 33.22 28.07 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 -2.43 7.17 0.28 7.83 0.01 -1.26 -3.56 114.94 122.98 1th7 s ASN 44 Ca 0.05 1.95 0.05 0.00 -0.71 0.00 0.00 52.86 54.19 1th7 s ASN 44 Cb -0.02 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.00 1th7 s ASN 44 CO 0.06 -0.39 0.00 -0.76 -1.51 0.00 0.00 177.10 174.51 1th7 s LEU 45 N 0.83 2.28 -0.05 0.60 1.43 -0.10 -2.69 118.68 120.98 1th7 s LEU 45 Ca 0.56 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1th7 s LEU 45 Cb -0.28 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.54 1th7 s LEU 45 CO 0.30 -0.50 -0.02 -0.69 0.23 0.00 0.00 176.35 175.67 1th7 s VAL 46 N -3.25 0.44 -0.00 -1.59 1.01 -0.91 0.19 120.40 116.29 1th7 s VAL 46 Ca 0.32 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1th7 s VAL 46 Cb 0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1th7 s VAL 46 CO 0.12 0.22 -0.24 -0.76 0.00 0.00 0.00 175.10 174.45 1th7 s LEU 47 N 1.22 2.08 0.24 3.92 1.43 -0.46 -1.09 118.68 126.01 1th7 s LEU 47 Ca -0.07 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 52.67 1th7 s LEU 47 Cb -0.14 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1th7 s LEU 47 CO -0.02 0.27 -0.08 -0.94 0.23 0.00 0.00 176.35 175.82 1th7 s SER 48 N -0.72 4.24 -1.64 2.29 1.04 -0.23 -0.87 113.70 117.81 1th7 s SER 48 Ca 0.09 -0.70 -0.16 0.00 0.48 0.00 0.00 55.95 55.66 1th7 s SER 48 Cb -0.09 -0.69 0.13 0.00 0.10 0.00 0.00 66.02 65.47 1th7 s SER 48 CO -0.00 0.04 0.81 0.47 0.98 0.00 0.00 173.24 175.54 1th7 n ASP 49 N -0.52 -3.45 -4.91 7.02 10.43 -1.08 -1.33 116.55 122.72 1th7 n ASP 49 Ca -0.08 -0.96 -0.28 0.00 2.57 0.00 0.00 54.79 56.05 1th7 n ASP 49 Cb 0.58 -3.05 0.01 0.00 1.84 0.00 0.00 41.12 40.50 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 -3.38 6.01 -0.10 -2.24 1.04 -0.06 -4.59 113.70 110.39 1th7 s SER 50 Ca 0.67 0.92 -0.09 0.00 0.48 0.00 0.00 55.95 57.93 1th7 s SER 50 Cb -0.36 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 63.71 1th7 s SER 50 CO 0.90 -0.80 0.26 -1.83 0.98 0.00 0.00 173.24 172.76 1th7 s GLU 51 N -4.89 0.31 -0.24 4.02 -1.05 0.12 -0.80 118.70 116.16 1th7 s GLU 51 Ca 0.51 0.35 -0.20 0.00 -0.15 0.00 0.00 54.97 55.48 1th7 s GLU 51 Cb -0.10 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.72 1th7 s GLU 51 CO 0.46 -0.04 0.63 -2.00 0.95 0.00 0.00 175.26 175.27 1th7 s GLU 52 N 0.11 4.13 -0.12 -4.83 2.12 0.21 -1.50 118.70 118.83 1th7 s GLU 52 Ca -0.00 0.57 -0.30 0.00 0.36 0.00 0.00 54.97 55.60 1th7 s GLU 52 Cb -0.02 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 1th7 s GLU 52 CO 0.00 -0.38 1.27 0.42 -0.54 0.00 0.00 175.26 176.03 1th7 s ILE 53 N 2.40 4.20 0.63 -3.70 -1.09 -0.32 -1.24 121.20 122.09 1th7 s ILE 53 Ca 0.27 1.48 -0.06 0.00 -2.23 0.00 0.00 60.65 60.11 1th7 s ILE 53 Cb -0.16 -3.96 0.03 0.00 -1.58 0.00 0.00 42.46 36.80 1th7 s ILE 53 CO 0.09 -0.09 0.94 -1.10 -1.23 0.00 0.00 174.94 173.55 1th7 s GLN 54 N 3.08 2.60 0.24 2.79 -1.52 -0.20 -4.40 119.66 122.26 1th7 s GLN 54 Ca 0.57 -0.16 -0.06 0.00 -1.95 0.00 0.00 55.36 53.77 1th7 s GLN 54 Cb -0.24 -2.24 0.33 0.00 -0.22 0.00 0.00 33.01 30.64 1th7 s GLN 54 CO 0.18 -0.92 1.84 0.66 -0.25 0.00 0.00 175.29 176.81 1th7 h SER 55 N -0.33 0.80 0.10 5.90 4.64 -1.95 0.43 113.55 123.13 1th7 h SER 55 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1th7 h SER 55 Cb 1.28 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1th7 h SER 55 CO 0.60 0.51 0.00 -0.90 -0.87 0.00 0.00 176.83 176.17 1th7 n ASP 56 N -4.65 0.00 0.00 4.97 5.68 -1.26 -4.85 116.55 116.44 1th7 n ASP 56 Ca 0.12 -0.42 0.00 0.00 -0.50 0.00 0.00 54.79 53.99 1th7 n ASP 56 Cb 0.19 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 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 0.22 2.14 3.72 6.12 0.00 0.14 -5.05 105.19 112.48 1th7 n GLY 57 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.83 3.77 -0.16 1.61 1.04 -1.26 -4.62 113.70 112.24 1th7 s SER 58 Ca 0.00 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.38 1th7 s SER 58 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1th7 s SER 58 CO 0.00 -2.53 -0.07 -0.83 0.98 0.00 0.00 173.24 170.79 1th7 s GLY 59 N -3.08 1.64 -0.33 7.32 0.00 -1.26 -1.03 107.32 110.57 1th7 s GLY 59 Ca 0.64 -0.90 -0.12 0.00 0.00 0.00 0.00 44.72 44.34 1th7 s GLY 59 CO 0.57 -0.03 0.21 1.25 0.00 0.00 0.00 173.10 175.10 1th7 s LYS 60 N 0.54 3.39 0.22 2.90 2.20 -0.38 -4.88 119.74 123.74 1th7 s LYS 60 Ca -0.05 -0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 54.55 1th7 s LYS 60 Cb -0.15 -3.73 -0.10 0.00 -1.51 0.00 0.00 37.83 32.34 1th7 s LYS 60 CO 0.03 -0.46 1.53 0.15 -0.36 0.00 0.00 175.35 176.24 1th7 s LYS 61 N 1.68 4.21 0.00 4.03 1.02 -1.26 0.66 119.74 130.07 1th7 s LYS 61 Ca 0.05 2.39 0.00 0.00 0.02 0.00 0.00 55.97 58.43 1th7 s LYS 61 Cb -0.17 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1th7 s LYS 61 CO 0.09 -0.54 0.00 1.28 -0.92 0.00 0.00 175.35 175.25 1th7 n LEU 62 N 2.98 0.00 0.00 3.17 4.77 0.02 -4.87 117.00 123.07 1th7 n LEU 62 Ca 0.10 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 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 0.62 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1th7 n GLY 63 N 1.57 1.35 3.74 -0.72 0.00 -1.06 -4.69 105.19 105.38 1th7 n GLY 63 Ca 0.00 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 5.09 0.02 2.61 2.01 -1.26 -0.88 115.64 123.22 1th7 s THR 64 Ca 0.00 1.10 0.02 0.00 0.31 0.00 0.00 61.69 63.11 1th7 s THR 64 Cb 0.00 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 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 0.34 0.39 -0.23 1.82 -4.36 -0.05 -4.99 121.20 114.12 1th7 s ILE 65 Ca 0.29 -0.58 -0.08 0.00 -0.26 0.00 0.00 60.65 60.03 1th7 s ILE 65 Cb -0.16 -0.41 -0.03 0.00 1.25 0.00 0.00 42.46 43.11 1th7 s ILE 65 CO 0.13 -0.13 0.08 -0.69 0.24 0.00 0.00 174.94 174.57 1th7 s VAL 66 N -0.69 4.52 -0.19 8.37 1.01 -1.26 -1.36 120.40 130.80 1th7 s VAL 66 Ca -0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1th7 s VAL 66 Cb -0.05 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1th7 s VAL 66 CO -0.00 0.36 -0.01 -0.63 0.00 0.00 0.00 175.10 174.83 1th7 s ILE 67 N 1.29 3.95 -0.09 2.22 1.01 0.13 -4.98 121.20 124.74 1th7 s ILE 67 Ca 0.05 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1th7 s ILE 67 Cb -0.15 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1th7 s ILE 67 CO 0.04 0.44 1.16 -0.60 0.00 0.00 0.00 174.94 175.98 1th7 s ARG 68 N 0.86 4.34 0.54 2.79 3.52 -1.26 -0.93 118.95 128.82 1th7 s ARG 68 Ca 0.01 1.59 0.24 0.00 -0.13 0.00 0.00 55.73 57.44 1th7 s ARG 68 Cb -0.14 -3.59 1.42 0.00 -1.56 0.00 0.00 34.95 31.08 1th7 s ARG 68 CO 0.02 -0.47 2.03 0.78 -0.81 0.00 0.00 175.30 176.86 1th7 h GLY 69 N 8.44 0.00 1.91 8.12 0.00 -1.75 -2.48 103.07 117.31 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 0.89 0.00 0.04 -1.80 0.00 0.00 0.00 176.54 175.67 1th7 h ASP 70 N 0.00 0.00 -0.02 0.19 1.82 -1.87 -0.53 116.42 116.01 1th7 h ASP 70 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1th7 h ASP 70 Cb 0.77 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.78 1th7 h ASP 70 CO -0.00 0.00 -0.08 0.59 -1.61 0.00 0.00 179.24 178.14 1th7 n ASN 71 N -2.48 2.28 -4.72 2.28 3.02 -0.93 -4.97 115.26 109.74 1th7 n ASN 71 Ca -0.02 -1.64 -0.42 0.00 -0.03 0.00 0.00 54.58 52.47 1th7 n ASN 71 Cb 0.08 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 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 -1.58 4.65 -0.21 2.41 1.01 -0.21 -0.41 120.40 126.05 1th7 s VAL 72 Ca 0.19 1.98 -0.16 0.00 0.00 0.00 0.00 61.98 63.99 1th7 s VAL 72 Cb 0.14 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 1th7 s VAL 72 CO 0.27 0.20 -0.22 -0.38 0.00 0.00 0.00 175.10 174.97 1th7 n ILE 73 N 3.56 1.50 -3.60 2.22 5.41 0.31 -4.91 119.36 123.85 1th7 n ILE 73 Ca 0.05 -0.04 -0.11 0.00 1.00 0.00 0.00 62.75 63.65 1th7 n ILE 73 Cb 0.50 -2.16 -0.05 0.00 -0.71 0.00 0.00 39.64 37.23 1th7 n ILE 73 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 1th7 s LEU 74 N -7.84 0.22 -0.06 1.39 0.05 -1.21 -5.00 118.68 106.23 1th7 s LEU 74 Ca -0.29 -0.17 0.04 0.00 0.05 0.00 0.00 54.13 53.76 1th7 s LEU 74 Cb 0.07 1.96 0.00 0.00 -2.05 0.00 0.00 46.19 46.17 1th7 s LEU 74 CO 0.44 -0.82 -0.18 -0.63 -0.55 0.00 0.00 176.35 174.61 1th7 s ILE 75 N -3.43 1.52 -0.09 1.48 1.01 -1.26 -1.33 121.20 119.09 1th7 s ILE 75 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 1th7 s ILE 75 Cb 0.01 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.18 1th7 s ILE 75 CO -0.09 0.44 -0.03 -0.55 0.00 0.00 0.00 174.94 174.70 1th7 s SER 76 N 0.26 1.87 0.28 3.58 0.15 0.42 -4.96 113.70 115.30 1th7 s SER 76 Ca -0.10 -0.19 -0.30 0.00 0.70 0.00 0.00 55.95 56.06 1th7 s SER 76 Cb -0.14 -0.61 -0.10 0.00 -1.71 0.00 0.00 66.02 63.45 1th7 s SER 76 CO 0.04 -0.17 1.43 -2.84 1.20 0.00 0.00 173.24 172.90 1th7 s PRO 77 N 1.86 4.26 0.00 5.44 0.02 -1.26 -0.27 135.00 145.05 1th7 s PRO 77 Ca 0.05 2.33 0.25 0.00 0.02 0.00 0.00 61.00 63.65 1th7 s PRO 77 Cb -0.12 -3.08 0.35 0.00 0.02 0.00 0.00 34.50 31.66 1th7 s PRO 77 CO -0.07 -0.40 1.35 1.28 -0.33 0.00 0.00 177.00 178.83