#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 3.11 0.22 4.61 0.00 -1.26 -4.91 121.76 123.53 1th7 s ALA 2 Ca 0.00 1.26 -0.32 0.00 0.00 0.00 0.00 51.96 52.90 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 -1.00 1.70 -1.33 0.00 0.00 0.00 175.76 175.13 1th7 n MET 3 N -0.30 2.74 -1.84 0.00 2.00 -0.27 -4.88 117.12 114.56 1th7 n MET 3 Ca 0.06 0.98 -0.42 0.00 0.00 0.00 0.00 57.70 58.33 1th7 n MET 3 Cb 0.44 -2.82 -0.03 0.00 0.00 0.00 0.00 33.22 30.81 1th7 n MET 3 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1th7 s ASN 4 N 1.05 6.49 0.45 7.83 3.84 -1.26 -4.88 114.94 128.46 1th7 s ASN 4 Ca 0.74 2.72 0.26 0.00 0.21 0.00 0.00 52.86 56.78 1th7 s ASN 4 Cb -0.51 -2.59 1.29 0.00 -0.55 0.00 0.00 41.25 38.88 1th7 s ASN 4 CO 0.35 -0.90 1.76 0.15 -2.79 0.00 0.00 177.10 175.67 1th7 h PHE 5 N 7.00 0.44 -0.19 0.43 3.57 -2.02 -0.89 116.94 125.28 1th7 h PHE 5 Ca -0.43 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1th7 h PHE 5 Cb 1.20 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1th7 h PHE 5 CO 0.66 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 178.03 1th7 n LEU 6 N -4.50 3.12 -3.79 0.59 4.77 -1.26 -4.64 117.00 111.29 1th7 n LEU 6 Ca 0.27 -1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 54.64 1th7 n LEU 6 Cb 1.08 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1th7 n LEU 6 CO 0.29 0.59 2.25 0.00 -1.33 0.00 0.00 177.39 179.20 1th7 n ALA 7 N 1.35 5.51 -0.33 -1.18 0.00 -0.34 -4.80 120.51 120.72 1th7 n ALA 7 Ca 0.17 -4.15 0.13 0.00 0.00 0.00 0.00 53.44 49.59 1th7 n ALA 7 Cb 0.59 -3.18 0.35 0.00 0.00 0.00 0.00 19.45 17.21 1th7 n ALA 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1th7 h GLU 8 N 5.78 0.70 -0.72 0.00 4.39 -1.82 -2.55 114.58 120.36 1th7 h GLU 8 Ca 0.47 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 1th7 h GLU 8 Cb 0.62 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1th7 h GLU 8 CO 1.72 0.46 0.37 1.15 -1.16 0.00 0.00 179.01 181.56 1th7 h THR 9 N 0.72 1.23 -0.56 1.13 2.02 -1.98 0.15 112.91 115.62 1th7 h THR 9 Ca 0.54 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1th7 h THR 9 Cb 0.89 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1th7 h THR 9 CO -0.31 0.26 -0.07 0.00 0.37 0.00 0.00 175.52 175.77 1th7 h ALA 10 N 1.19 0.76 -0.55 6.16 0.00 -1.88 -2.06 119.26 122.88 1th7 h ALA 10 Ca 0.25 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1th7 h ALA 10 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1th7 h ALA 10 CO -0.04 0.65 0.17 1.25 0.00 0.00 0.00 179.25 181.28 1th7 h HIS 11 N 0.91 0.88 -0.85 0.00 6.17 -1.23 -2.89 115.15 118.14 1th7 h HIS 11 Ca 0.15 -0.09 0.01 0.00 0.71 0.00 0.00 60.37 61.15 1th7 h HIS 11 Cb 0.63 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 30.27 1th7 h HIS 11 CO 0.04 0.74 0.56 -0.22 0.71 0.00 0.00 177.93 179.77 1th7 h LYS 12 N 0.76 1.10 -0.42 5.26 3.64 -0.51 0.30 116.57 126.71 1th7 h LYS 12 Ca 0.18 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1th7 h LYS 12 Cb 0.28 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1th7 h LYS 12 CO -0.01 0.73 0.27 0.28 -2.27 0.00 0.00 179.45 178.46 1th7 h VAL 13 N 1.13 1.10 -0.47 2.00 2.07 -1.18 0.14 116.25 121.05 1th7 h VAL 13 Ca 0.32 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.51 1th7 h VAL 13 Cb -0.11 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1th7 h VAL 13 CO -0.08 0.10 -0.25 -0.07 0.02 0.00 0.00 177.57 177.30 1th7 h LEU 14 N 0.56 1.02 -0.88 2.57 3.38 -1.28 -2.13 115.31 118.55 1th7 h LEU 14 Ca 0.16 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1th7 h LEU 14 Cb -0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 1th7 h LEU 14 CO -0.04 1.20 0.47 0.00 0.09 0.00 0.00 178.44 180.17 1th7 h ALA 15 N 0.86 1.12 0.00 1.53 0.00 -0.54 -2.13 119.26 120.11 1th7 h ALA 15 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1th7 h ALA 15 Cb 0.83 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1th7 h ALA 15 CO 0.07 0.64 0.00 0.93 0.00 0.00 0.00 179.25 180.89 1th7 h GLU 16 N 1.23 0.00 0.00 0.00 5.08 -0.60 -3.00 114.58 117.29 1th7 h GLU 16 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1th7 h GLU 16 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1th7 h GLU 16 CO -0.05 0.00 -0.54 0.43 -1.00 0.00 0.00 179.01 177.85 1th7 n SER 17 N -2.63 0.61 -4.70 1.42 7.64 -0.81 -4.83 113.62 110.32 1th7 n SER 17 Ca 0.04 0.06 -0.44 0.00 1.01 0.00 0.00 58.87 59.54 1th7 n SER 17 Cb 0.39 0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1th7 n SER 17 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1th7 n LEU 18 N -1.92 3.63 -1.03 -3.43 7.94 -0.93 -0.81 117.00 120.44 1th7 n LEU 18 Ca 0.04 1.12 -0.13 0.00 -1.11 0.00 0.00 56.01 55.93 1th7 n LEU 18 Cb 0.41 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 42.80 1th7 n LEU 18 CO 0.35 -0.15 -0.13 0.59 -1.11 0.00 0.00 177.39 176.95 1th7 n ASN 19 N 2.69 -4.55 -4.32 1.96 5.03 0.32 -4.96 115.26 111.43 1th7 n ASN 19 Ca 0.12 0.31 -0.17 0.00 0.87 0.00 0.00 54.58 55.71 1th7 n ASN 19 Cb 0.33 -3.24 -0.10 0.00 -1.02 0.00 0.00 39.78 35.75 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 -2.84 2.03 0.16 6.41 0.01 0.01 -4.87 114.94 115.85 1th7 s ASN 20 Ca 0.00 -1.12 -0.30 0.00 -0.71 0.00 0.00 52.86 50.73 1th7 s ASN 20 Cb 0.00 -0.04 -0.08 0.00 0.41 0.00 0.00 41.25 41.54 1th7 s ASN 20 CO 0.00 -0.38 1.25 -0.22 -1.51 0.00 0.00 177.10 176.23 1th7 s LEU 21 N -3.28 4.42 0.05 0.60 2.96 -1.26 -1.28 118.68 120.89 1th7 s LEU 21 Ca 0.24 2.25 -0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1th7 s LEU 21 Cb 0.03 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1th7 s LEU 21 CO 0.06 -0.46 -0.04 0.68 -1.32 0.00 0.00 176.35 175.28 1th7 s VAL 22 N 0.29 0.29 -0.10 1.68 -7.23 -0.05 -0.70 120.40 114.58 1th7 s VAL 22 Ca 0.56 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.03 1th7 s VAL 22 Cb -0.34 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1th7 s VAL 22 CO 0.35 -0.90 -0.07 -0.22 -0.31 0.00 0.00 175.10 173.96 1th7 s LEU 23 N -2.72 3.16 -0.13 1.32 2.96 0.49 -1.57 118.68 122.18 1th7 s LEU 23 Ca 0.04 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1th7 s LEU 23 Cb 0.05 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 45.05 1th7 s LEU 23 CO -0.08 0.29 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.44 1th7 s VAL 24 N -0.39 1.36 -0.10 1.68 1.01 0.10 -0.61 120.40 123.45 1th7 s VAL 24 Ca 0.06 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1th7 s VAL 24 Cb -0.12 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1th7 s VAL 24 CO 0.02 0.42 0.45 -0.54 0.00 0.00 0.00 175.10 175.46 1th7 s LYS 25 N 1.55 4.27 0.28 2.72 1.02 -0.58 -1.31 119.74 127.69 1th7 s LYS 25 Ca 0.04 0.42 0.09 0.00 0.02 0.00 0.00 55.97 56.55 1th7 s LYS 25 Cb -0.13 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1th7 s LYS 25 CO -0.09 0.26 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.96 1th7 s LEU 26 N 0.30 2.59 -0.18 3.17 1.43 -1.26 -0.53 118.68 124.21 1th7 s LEU 26 Ca 0.25 -1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1th7 s LEU 26 Cb -0.15 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 1th7 s LEU 26 CO 0.10 -0.15 0.17 -0.54 0.23 0.00 0.00 176.35 176.16 1th7 s LYS 27 N -3.61 4.14 0.00 1.70 1.02 0.15 -4.27 119.74 118.86 1th7 s LYS 27 Ca 0.29 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1th7 s LYS 27 Cb -0.00 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1th7 s LYS 27 CO 0.13 0.33 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 1th7 n GLY 28 N 3.33 0.53 3.52 -3.33 0.00 -1.26 -4.92 105.19 103.07 1th7 n GLY 28 Ca -0.15 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.06 -0.62 0.72 1.61 3.84 -1.26 -5.15 114.94 112.02 1th7 s ASN 29 Ca 0.00 0.65 -0.15 0.00 0.21 0.00 0.00 52.86 53.57 1th7 s ASN 29 Cb 0.00 0.52 0.04 0.00 -0.55 0.00 0.00 41.25 41.25 1th7 s ASN 29 CO 0.00 -0.60 1.20 -0.54 -2.79 0.00 0.00 177.10 174.37 1th7 s LYS 30 N -1.29 2.20 0.74 0.43 1.02 -1.26 -4.35 119.74 117.23 1th7 s LYS 30 Ca -0.09 1.72 -0.15 0.00 0.02 0.00 0.00 55.97 57.47 1th7 s LYS 30 Cb -0.00 -1.84 0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1th7 s LYS 30 CO 0.08 -1.78 1.19 -1.83 -0.92 0.00 0.00 175.35 172.09 1th7 s GLU 31 N -3.93 2.11 0.11 1.68 -1.05 -1.26 -4.69 118.70 111.67 1th7 s GLU 31 Ca 0.73 1.71 0.05 0.00 -0.15 0.00 0.00 54.97 57.32 1th7 s GLU 31 Cb -0.28 -1.84 -0.04 0.00 -0.44 0.00 0.00 34.13 31.54 1th7 s GLU 31 CO 0.45 -1.84 -0.14 0.14 0.95 0.00 0.00 175.26 174.82 1th7 s VAL 32 N -2.07 1.24 0.03 1.83 -7.23 -0.43 -1.35 120.40 112.42 1th7 s VAL 32 Ca 0.73 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 1th7 s VAL 32 Cb -0.28 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1th7 s VAL 32 CO 0.46 -0.39 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.59 1th7 s ARG 33 N -2.50 0.94 0.00 4.82 0.52 -0.57 0.02 118.95 122.18 1th7 s ARG 33 Ca 0.06 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1th7 s ARG 33 Cb -0.06 -0.94 0.00 0.00 0.52 0.00 0.00 34.95 34.47 1th7 s ARG 33 CO 0.02 0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.99 1th7 n GLY 34 N 2.01 -1.04 3.66 -3.53 0.00 -0.61 -0.59 105.19 105.09 1th7 n GLY 34 Ca -0.18 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 4.24 -0.17 1.61 -1.94 -0.58 -0.87 119.30 119.59 1th7 s MET 35 Ca 0.00 1.01 -0.29 0.00 -1.71 0.00 0.00 55.69 54.69 1th7 s MET 35 Cb 0.00 -3.61 -0.03 0.00 2.01 0.00 0.00 34.83 33.20 1th7 s MET 35 CO 0.00 -0.44 1.54 -1.17 -0.01 0.00 0.00 175.02 174.95 1th7 s LEU 36 N 2.54 4.07 -0.00 -0.03 2.96 -0.41 -1.22 118.68 126.59 1th7 s LEU 36 Ca 0.37 1.79 0.08 0.00 -0.22 0.00 0.00 54.13 56.15 1th7 s LEU 36 Cb -0.16 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 1th7 s LEU 36 CO 0.10 -1.06 0.29 0.54 -1.32 0.00 0.00 176.35 174.89 1th7 n ARG 37 N 7.29 2.99 -3.58 1.98 5.12 0.26 0.12 116.66 130.84 1th7 n ARG 37 Ca 0.17 -0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.93 1th7 n ARG 37 Cb 0.44 -0.98 -0.06 0.00 -1.16 0.00 0.00 32.46 30.70 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 -2.15 -0.60 0.06 0.55 0.15 -1.17 -4.91 113.70 105.62 1th7 s SER 38 Ca 0.01 0.90 -0.21 0.00 0.70 0.00 0.00 55.95 57.35 1th7 s SER 38 Cb 0.06 0.82 0.05 0.00 -1.71 0.00 0.00 66.02 65.24 1th7 s SER 38 CO 0.33 -0.38 0.49 -0.72 1.20 0.00 0.00 173.24 174.16 1th7 s TYR 39 N -0.49 -0.38 0.24 3.44 -0.85 -1.26 -1.93 117.35 116.12 1th7 s TYR 39 Ca -0.04 0.37 0.05 0.00 -0.52 0.00 0.00 57.07 56.93 1th7 s TYR 39 Cb -0.02 0.32 -0.02 0.00 0.38 0.00 0.00 41.96 42.62 1th7 s TYR 39 CO 0.03 -0.65 0.19 -0.40 -1.52 0.00 0.00 175.55 173.21 1th7 n ASP 40 N 0.32 -0.36 0.18 -0.18 5.68 -1.09 -4.96 116.55 116.14 1th7 n ASP 40 Ca -0.18 -2.58 0.13 0.00 -0.50 0.00 0.00 54.79 51.66 1th7 n ASP 40 Cb 0.61 1.17 0.63 0.00 -1.14 0.00 0.00 41.12 42.38 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 -0.31 0.11 -0.00 -1.92 -0.83 115.11 112.16 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 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.35 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 -2.39 0.38 -2.37 0.06 8.25 -1.26 -1.12 115.22 116.77 1th7 n HIS 42 Ca -0.00 -0.19 -0.14 0.00 -0.26 0.00 0.00 57.72 57.12 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 1.45 -1.58 -2.54 -0.41 2.81 -0.32 -4.26 117.12 112.28 1th7 n MET 43 Ca 0.18 0.67 -0.42 0.00 -1.81 0.00 0.00 57.70 56.33 1th7 n MET 43 Cb 0.60 -4.95 -0.03 0.00 -0.71 0.00 0.00 33.22 28.13 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 -2.45 7.22 0.25 7.83 0.01 -1.26 -3.48 114.94 123.06 1th7 s ASN 44 Ca 0.04 1.91 0.05 0.00 -0.71 0.00 0.00 52.86 54.15 1th7 s ASN 44 Cb -0.02 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 1th7 s ASN 44 CO 0.05 -0.35 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.50 1th7 s LEU 45 N 0.76 2.35 -0.07 0.60 1.43 -0.16 -2.65 118.68 120.94 1th7 s LEU 45 Ca 0.55 -1.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1th7 s LEU 45 Cb -0.27 -0.46 0.02 0.00 0.03 0.00 0.00 46.19 45.52 1th7 s LEU 45 CO 0.30 -0.42 -0.06 -0.69 0.23 0.00 0.00 176.35 175.71 1th7 s VAL 46 N -3.21 0.76 -0.03 -1.59 1.01 -0.81 0.10 120.40 116.63 1th7 s VAL 46 Ca 0.28 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1th7 s VAL 46 Cb 0.05 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1th7 s VAL 46 CO 0.10 0.29 -0.22 -0.76 0.00 0.00 0.00 175.10 174.51 1th7 s LEU 47 N 1.21 2.03 0.29 3.92 1.43 -0.43 -0.57 118.68 126.55 1th7 s LEU 47 Ca -0.06 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1th7 s LEU 47 Cb -0.14 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1th7 s LEU 47 CO -0.02 0.26 0.05 -0.94 0.23 0.00 0.00 176.35 175.94 1th7 s SER 48 N -0.42 4.66 -1.69 2.29 1.04 -0.36 -0.84 113.70 118.37 1th7 s SER 48 Ca 0.06 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 55.68 1th7 s SER 48 Cb -0.10 -0.86 0.14 0.00 0.10 0.00 0.00 66.02 65.31 1th7 s SER 48 CO 0.00 -0.08 0.64 0.47 0.98 0.00 0.00 173.24 175.25 1th7 n ASP 49 N -0.99 -2.29 -4.90 7.02 10.43 -1.08 -1.53 116.55 123.21 1th7 n ASP 49 Ca -0.06 -1.08 -0.29 0.00 2.57 0.00 0.00 54.79 55.94 1th7 n ASP 49 Cb 0.60 -2.48 0.03 0.00 1.84 0.00 0.00 41.12 41.10 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 -3.51 5.68 -0.04 -2.24 1.04 -0.00 -4.60 113.70 110.02 1th7 s SER 50 Ca 0.60 1.00 -0.04 0.00 0.48 0.00 0.00 55.95 57.99 1th7 s SER 50 Cb -0.34 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 63.84 1th7 s SER 50 CO 0.95 -1.10 0.11 -1.83 0.98 0.00 0.00 173.24 172.35 1th7 s GLU 51 N -5.14 0.14 -0.23 4.02 -1.05 0.24 -0.84 118.70 115.85 1th7 s GLU 51 Ca 0.55 0.13 -0.19 0.00 -0.15 0.00 0.00 54.97 55.31 1th7 s GLU 51 Cb -0.11 0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.62 1th7 s GLU 51 CO 0.49 -0.02 0.55 -2.00 0.95 0.00 0.00 175.26 175.23 1th7 s GLU 52 N -0.00 4.14 -0.07 -4.83 2.12 0.47 -1.51 118.70 119.01 1th7 s GLU 52 Ca -0.01 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.45 1th7 s GLU 52 Cb -0.01 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 1th7 s GLU 52 CO 0.00 -0.27 1.13 0.42 -0.54 0.00 0.00 175.26 176.00 1th7 s ILE 53 N 2.03 4.45 0.68 -3.70 -1.09 -0.45 -1.08 121.20 122.03 1th7 s ILE 53 Ca 0.24 1.75 -0.05 0.00 -2.23 0.00 0.00 60.65 60.36 1th7 s ILE 53 Cb -0.16 -4.12 0.06 0.00 -1.58 0.00 0.00 42.46 36.66 1th7 s ILE 53 CO 0.09 -0.00 0.97 -1.10 -1.23 0.00 0.00 174.94 173.67 1th7 s GLN 54 N 2.15 2.22 0.51 2.79 -1.52 0.23 -4.49 119.66 121.56 1th7 s GLN 54 Ca 0.53 -0.39 0.22 0.00 -1.95 0.00 0.00 55.36 53.77 1th7 s GLN 54 Cb -0.22 -2.23 1.36 0.00 -0.22 0.00 0.00 33.01 31.70 1th7 s GLN 54 CO 0.20 -1.16 2.10 0.77 -0.25 0.00 0.00 175.29 176.96 1th7 h SER 55 N -0.48 0.00 -0.23 5.90 0.02 -1.96 -1.37 113.55 115.42 1th7 h SER 55 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1th7 h SER 55 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1th7 h SER 55 CO 0.58 0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 175.46 1th7 n ASP 56 N -4.08 1.66 0.00 3.07 5.75 -1.26 -4.92 116.55 116.78 1th7 n ASP 56 Ca -0.03 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1th7 n ASP 56 Cb 0.18 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.08 3.20 3.63 6.12 0.00 -0.52 -5.04 105.19 113.66 1th7 n GLY 57 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.72 2.24 0.06 1.61 1.04 -1.26 -4.60 113.70 112.07 1th7 s SER 58 Ca 0.00 1.33 0.08 0.00 0.48 0.00 0.00 55.95 57.84 1th7 s SER 58 Cb 0.00 -2.03 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 1th7 s SER 58 CO 0.00 -3.39 -0.22 -0.83 0.98 0.00 0.00 173.24 169.79 1th7 s GLY 59 N -3.17 1.20 -0.30 7.32 0.00 -1.26 -0.60 107.32 110.50 1th7 s GLY 59 Ca 0.66 -1.14 -0.05 0.00 0.00 0.00 0.00 44.72 44.18 1th7 s GLY 59 CO 0.59 -1.09 0.05 1.25 0.00 0.00 0.00 173.10 173.90 1th7 s LYS 60 N -1.42 2.84 0.24 2.90 2.20 -0.24 -4.88 119.74 121.38 1th7 s LYS 60 Ca 0.08 -1.01 -0.31 0.00 -0.36 0.00 0.00 55.97 54.36 1th7 s LYS 60 Cb -0.09 -3.30 -0.12 0.00 -1.51 0.00 0.00 37.83 32.81 1th7 s LYS 60 CO 0.03 -0.51 1.64 1.63 -0.36 0.00 0.00 175.35 177.77 1th7 n LYS 61 N 4.79 2.65 -0.00 4.03 5.02 -1.26 -0.39 118.16 132.99 1th7 n LYS 61 Ca -0.14 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1th7 n LYS 61 Cb 0.46 -2.75 -0.01 0.00 -0.02 0.00 0.00 35.03 32.72 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 3.00 0.02 0.00 -0.35 4.77 -0.02 -4.89 117.00 119.54 1th7 n LEU 62 Ca 0.12 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1th7 n LEU 62 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1th7 n LEU 62 CO 0.64 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1th7 n GLY 63 N 1.78 0.97 3.74 -0.72 0.00 -1.15 -4.71 105.19 105.11 1th7 n GLY 63 Ca -0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 5.07 0.01 2.61 2.01 -1.26 -0.82 115.64 123.26 1th7 s THR 64 Ca 0.00 1.11 0.02 0.00 0.31 0.00 0.00 61.69 63.14 1th7 s THR 64 Cb 0.00 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1th7 s THR 64 CO 0.00 0.36 -0.08 0.27 -0.69 0.00 0.00 174.62 174.48 1th7 s ILE 65 N 0.31 0.59 -0.24 1.82 -4.36 -0.02 -4.99 121.20 114.31 1th7 s ILE 65 Ca 0.29 -0.57 -0.08 0.00 -0.26 0.00 0.00 60.65 60.03 1th7 s ILE 65 Cb -0.17 -0.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.96 1th7 s ILE 65 CO 0.14 -0.01 0.09 -0.69 0.24 0.00 0.00 174.94 174.71 1th7 s VAL 66 N -0.55 4.60 -0.19 8.37 1.01 -1.26 -1.32 120.40 131.07 1th7 s VAL 66 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1th7 s VAL 66 Cb -0.05 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1th7 s VAL 66 CO 0.00 0.36 -0.01 -0.63 0.00 0.00 0.00 175.10 174.81 1th7 s ILE 67 N 1.30 3.89 -0.09 2.22 1.01 0.11 -4.98 121.20 124.67 1th7 s ILE 67 Ca 0.05 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1th7 s ILE 67 Cb -0.15 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1th7 s ILE 67 CO 0.04 0.45 1.10 -0.60 0.00 0.00 0.00 174.94 175.93 1th7 s ARG 68 N 0.85 4.38 0.50 2.79 3.52 -1.26 -0.99 118.95 128.73 1th7 s ARG 68 Ca 0.00 1.53 0.24 0.00 -0.13 0.00 0.00 55.73 57.37 1th7 s ARG 68 Cb -0.14 -3.56 1.31 0.00 -1.56 0.00 0.00 34.95 31.00 1th7 s ARG 68 CO 0.02 -0.40 1.93 0.78 -0.81 0.00 0.00 175.30 176.82 1th7 h GLY 69 N 8.18 0.27 1.88 8.12 0.00 -1.73 -2.43 103.07 117.36 1th7 h GLY 69 Ca -0.32 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1th7 h GLY 69 CO 0.87 0.01 0.05 -1.80 0.00 0.00 0.00 176.54 175.67 1th7 h ASP 70 N 0.14 0.00 -0.02 0.19 -0.00 -1.87 -1.04 116.42 113.82 1th7 h ASP 70 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.38 1th7 h ASP 70 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 1th7 h ASP 70 CO -0.05 0.00 -0.21 0.59 -0.00 0.00 0.00 179.24 179.57 1th7 n ASN 71 N -2.54 2.15 -4.72 2.28 4.13 -0.91 -4.97 115.26 110.67 1th7 n ASN 71 Ca -0.02 -1.57 -0.42 0.00 1.68 0.00 0.00 54.58 54.25 1th7 n ASN 71 Cb 0.09 0.26 -0.03 0.00 -1.54 0.00 0.00 39.78 38.56 1th7 n ASN 71 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1th7 s VAL 72 N -1.87 4.43 -0.23 2.41 1.01 -0.40 -0.68 120.40 125.08 1th7 s VAL 72 Ca 0.18 1.85 -0.16 0.00 0.00 0.00 0.00 61.98 63.85 1th7 s VAL 72 Cb 0.15 -4.18 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 1th7 s VAL 72 CO 0.36 0.20 -0.19 -0.38 0.00 0.00 0.00 175.10 175.09 1th7 n ILE 73 N 3.45 1.51 -3.58 2.22 5.41 0.31 -4.93 119.36 123.76 1th7 n ILE 73 Ca 0.05 -0.13 -0.12 0.00 1.00 0.00 0.00 62.75 63.55 1th7 n ILE 73 Cb 0.49 -2.06 -0.04 0.00 -0.71 0.00 0.00 39.64 37.31 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 -7.75 0.11 -0.06 1.39 0.05 -1.21 -5.01 118.68 106.19 1th7 s LEU 74 Ca -0.32 -0.11 0.04 0.00 0.05 0.00 0.00 54.13 53.79 1th7 s LEU 74 Cb 0.09 2.04 0.00 0.00 -2.05 0.00 0.00 46.19 46.28 1th7 s LEU 74 CO 0.48 -0.82 -0.17 -0.63 -0.55 0.00 0.00 176.35 174.65 1th7 s ILE 75 N -3.34 1.49 -0.09 1.48 1.01 -1.26 -1.52 121.20 118.97 1th7 s ILE 75 Ca -0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 1th7 s ILE 75 Cb 0.00 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1th7 s ILE 75 CO -0.09 0.43 -0.05 -0.55 0.00 0.00 0.00 174.94 174.68 1th7 s SER 76 N 0.31 1.84 0.26 3.58 0.15 0.22 -4.97 113.70 115.09 1th7 s SER 76 Ca -0.11 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.03 1th7 s SER 76 Cb -0.14 -0.68 -0.10 0.00 -1.71 0.00 0.00 66.02 63.39 1th7 s SER 76 CO 0.04 -0.12 1.34 -2.84 1.20 0.00 0.00 173.24 172.87 1th7 s PRO 77 N 1.61 4.35 0.00 5.44 0.02 -1.26 -0.38 135.00 144.78 1th7 s PRO 77 Ca 0.02 2.17 0.11 0.00 0.02 0.00 0.00 61.00 63.32 1th7 s PRO 77 Cb -0.13 -3.13 0.08 0.00 0.02 0.00 0.00 34.50 31.34 1th7 s PRO 77 CO -0.05 -0.27 0.84 1.28 -0.33 0.00 0.00 177.00 178.46