#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 0.25 4.61 0.00 -1.26 -4.90 121.76 123.66 1th7 s ALA 2 Ca 0.00 1.29 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 1th7 s ALA 2 Cb 0.00 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 1th7 s ALA 2 CO 0.00 -0.96 1.67 -1.33 0.00 0.00 0.00 175.76 175.13 1th7 n MET 3 N -0.09 2.75 -2.03 0.00 2.81 -0.24 -4.89 117.12 115.43 1th7 n MET 3 Ca 0.05 0.99 -0.42 0.00 -1.81 0.00 0.00 57.70 56.50 1th7 n MET 3 Cb 0.43 -2.81 -0.03 0.00 -0.71 0.00 0.00 33.22 30.11 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 6.69 0.34 7.83 3.84 -1.26 -4.90 114.94 128.34 1th7 s ASN 4 Ca 0.70 2.48 0.13 0.00 0.21 0.00 0.00 52.86 56.38 1th7 s ASN 4 Cb -0.50 -2.59 1.02 0.00 -0.55 0.00 0.00 41.25 38.63 1th7 s ASN 4 CO 0.40 -0.76 1.70 0.15 -2.79 0.00 0.00 177.10 175.80 1th7 h PHE 5 N 6.92 0.92 -0.21 0.43 3.57 -2.02 -0.13 116.94 126.42 1th7 h PHE 5 Ca -0.42 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 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 0.66 -0.04 0.00 1.28 -2.23 0.00 0.00 178.31 177.98 1th7 n LEU 6 N -4.91 2.25 -3.80 0.59 4.77 -1.26 -4.56 117.00 110.07 1th7 n LEU 6 Ca 0.29 -0.92 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 1th7 n LEU 6 Cb 0.89 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1th7 n LEU 6 CO 0.15 0.46 2.22 0.00 -1.33 0.00 0.00 177.39 178.90 1th7 n ALA 7 N 0.71 5.49 -0.29 -1.18 0.00 -0.06 -4.79 120.51 120.38 1th7 n ALA 7 Ca 0.17 -4.16 0.08 0.00 0.00 0.00 0.00 53.44 49.53 1th7 n ALA 7 Cb 0.43 -3.17 0.23 0.00 0.00 0.00 0.00 19.45 16.94 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 5.79 0.52 -0.71 0.00 4.39 -1.82 -2.49 114.58 120.26 1th7 h GLU 8 Ca 0.46 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.10 1th7 h GLU 8 Cb 0.62 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1th7 h GLU 8 CO 1.72 0.35 0.32 1.15 -1.16 0.00 0.00 179.01 181.38 1th7 h THR 9 N 0.54 1.24 -0.46 1.13 2.02 -1.98 0.91 112.91 116.31 1th7 h THR 9 Ca 0.47 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1th7 h THR 9 Cb 0.72 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1th7 h THR 9 CO -0.40 0.29 0.05 0.00 0.37 0.00 0.00 175.52 175.83 1th7 h ALA 10 N 1.15 0.61 -0.66 6.16 0.00 -1.87 -2.05 119.26 122.60 1th7 h ALA 10 Ca 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1th7 h ALA 10 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1th7 h ALA 10 CO -0.03 0.37 0.28 1.25 0.00 0.00 0.00 179.25 181.12 1th7 h HIS 11 N 0.64 0.99 -0.94 0.00 6.17 -1.16 -2.80 115.15 118.04 1th7 h HIS 11 Ca 0.14 -0.07 0.01 0.00 0.71 0.00 0.00 60.37 61.16 1th7 h HIS 11 Cb 0.43 -0.30 -0.05 0.00 2.52 0.00 0.00 27.41 30.01 1th7 h HIS 11 CO 0.03 0.77 0.62 -0.22 0.71 0.00 0.00 177.93 179.84 1th7 h LYS 12 N 0.93 1.23 -0.62 5.26 3.64 -0.55 0.18 116.57 126.63 1th7 h LYS 12 Ca 0.22 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1th7 h LYS 12 Cb 0.18 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1th7 h LYS 12 CO -0.02 0.81 0.39 0.28 -2.27 0.00 0.00 179.45 178.64 1th7 h VAL 13 N 1.26 1.17 -0.24 2.00 2.07 -1.12 0.07 116.25 121.46 1th7 h VAL 13 Ca 0.35 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1th7 h VAL 13 Cb -0.12 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1th7 h VAL 13 CO -0.08 0.17 -0.41 -0.07 0.02 0.00 0.00 177.57 177.20 1th7 h LEU 14 N 0.84 0.78 -0.99 2.57 3.38 -1.24 -1.95 115.31 118.70 1th7 h LEU 14 Ca 0.22 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1th7 h LEU 14 Cb -0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1th7 h LEU 14 CO -0.04 1.16 0.66 0.00 0.09 0.00 0.00 178.44 180.30 1th7 h ALA 15 N 0.64 1.26 0.00 1.53 0.00 -0.41 -1.63 119.26 120.66 1th7 h ALA 15 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1th7 h ALA 15 Cb 1.01 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1th7 h ALA 15 CO 0.09 0.64 -0.51 0.93 0.00 0.00 0.00 179.25 180.41 1th7 h GLU 16 N 1.34 0.00 0.00 0.00 4.39 -0.95 -3.00 114.58 116.36 1th7 h GLU 16 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1th7 h GLU 16 Cb -0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1th7 h GLU 16 CO -0.08 0.51 -0.05 0.43 -1.16 0.00 0.00 179.01 178.66 1th7 n SER 17 N -3.65 0.66 -4.71 1.42 7.64 -0.71 -4.80 113.62 109.46 1th7 n SER 17 Ca -0.01 0.52 -0.43 0.00 1.01 0.00 0.00 58.87 59.96 1th7 n SER 17 Cb 0.58 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 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 -2.10 3.82 -1.86 -3.43 7.94 -0.70 -1.39 117.00 119.29 1th7 n LEU 18 Ca 0.06 1.09 -0.16 0.00 -1.11 0.00 0.00 56.01 55.89 1th7 n LEU 18 Cb 0.41 -1.54 -0.00 0.00 0.53 0.00 0.00 43.42 42.82 1th7 n LEU 18 CO 0.30 0.03 -0.18 0.59 -1.11 0.00 0.00 177.39 177.02 1th7 n ASN 19 N 3.34 -4.75 -4.11 1.96 5.03 0.29 -4.97 115.26 112.05 1th7 n ASN 19 Ca 0.14 -0.04 -0.09 0.00 0.87 0.00 0.00 54.58 55.47 1th7 n ASN 19 Cb 0.34 -3.84 -0.10 0.00 -1.02 0.00 0.00 39.78 35.16 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 -2.35 0.34 0.21 6.41 0.01 -0.48 -4.90 114.94 114.19 1th7 s ASN 20 Ca 0.03 -1.10 -0.30 0.00 -0.71 0.00 0.00 52.86 50.78 1th7 s ASN 20 Cb -0.01 0.28 -0.09 0.00 0.41 0.00 0.00 41.25 41.83 1th7 s ASN 20 CO 0.03 -0.70 1.30 -0.76 -1.51 0.00 0.00 177.10 175.46 1th7 s LEU 21 N -2.99 4.42 0.05 0.60 1.43 -1.26 -1.37 118.68 119.56 1th7 s LEU 21 Ca 0.17 2.42 -0.01 0.00 -1.03 0.00 0.00 54.13 55.68 1th7 s LEU 21 Cb 0.07 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1th7 s LEU 21 CO -0.03 -0.51 -0.02 0.68 0.23 0.00 0.00 176.35 176.71 1th7 s VAL 22 N -0.07 0.20 -0.11 -1.59 -7.23 -0.24 -0.95 120.40 110.42 1th7 s VAL 22 Ca 0.55 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1th7 s VAL 22 Cb -0.36 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1th7 s VAL 22 CO 0.40 -0.92 -0.15 -0.22 -0.31 0.00 0.00 175.10 173.90 1th7 s LEU 23 N -2.72 2.63 -0.13 1.32 2.96 0.23 -1.71 118.68 121.25 1th7 s LEU 23 Ca 0.04 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1th7 s LEU 23 Cb 0.05 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.18 1th7 s LEU 23 CO -0.09 0.19 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.24 1th7 s VAL 24 N 0.20 1.92 -0.17 1.68 1.01 0.11 -0.61 120.40 124.55 1th7 s VAL 24 Ca -0.09 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 1th7 s VAL 24 Cb -0.15 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1th7 s VAL 24 CO 0.05 0.52 0.34 -0.54 0.00 0.00 0.00 175.10 175.47 1th7 s LYS 25 N 0.88 4.25 0.34 2.72 1.02 -0.46 -1.32 119.74 127.16 1th7 s LYS 25 Ca -0.06 0.15 0.09 0.00 0.02 0.00 0.00 55.97 56.17 1th7 s LYS 25 Cb -0.15 -3.46 -0.06 0.00 -0.52 0.00 0.00 37.83 33.64 1th7 s LYS 25 CO -0.02 0.16 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.00 1th7 s LEU 26 N 0.70 2.82 -0.30 3.17 1.43 -1.26 -0.63 118.68 124.61 1th7 s LEU 26 Ca 0.18 -1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 1th7 s LEU 26 Cb -0.14 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1th7 s LEU 26 CO 0.06 -0.21 0.18 -0.75 0.23 0.00 0.00 176.35 175.86 1th7 s LYS 27 N -3.64 3.66 0.00 1.70 2.20 0.28 -4.31 119.74 119.63 1th7 s LYS 27 Ca 0.33 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 1th7 s LYS 27 Cb 0.01 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1th7 s LYS 27 CO 0.17 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1th7 n GLY 28 N 5.03 0.79 3.53 5.54 0.00 -1.26 -4.90 105.19 113.92 1th7 n GLY 28 Ca -0.14 -0.08 -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 -2.07 -0.63 0.67 1.61 3.84 -1.26 -5.15 114.94 111.95 1th7 s ASN 29 Ca 0.00 0.70 -0.16 0.00 0.21 0.00 0.00 52.86 53.60 1th7 s ASN 29 Cb 0.00 0.53 0.01 0.00 -0.55 0.00 0.00 41.25 41.24 1th7 s ASN 29 CO 0.00 -0.57 1.20 -0.54 -2.79 0.00 0.00 177.10 174.40 1th7 s LYS 30 N -1.15 2.51 0.56 0.43 1.02 -1.26 -4.30 119.74 117.55 1th7 s LYS 30 Ca -0.10 1.77 -0.20 0.00 0.02 0.00 0.00 55.97 57.46 1th7 s LYS 30 Cb -0.00 -1.88 -0.06 0.00 -0.52 0.00 0.00 37.83 35.37 1th7 s LYS 30 CO 0.09 -1.55 0.94 0.39 -0.92 0.00 0.00 175.35 174.30 1th7 n GLU 31 N -2.25 0.98 -4.28 1.68 1.02 -1.26 -4.72 120.64 111.81 1th7 n GLU 31 Ca 0.13 0.37 -0.23 0.00 -0.02 0.00 0.00 57.16 57.42 1th7 n GLU 31 Cb 0.50 -2.11 -0.12 0.00 -0.02 0.00 0.00 31.44 29.69 1th7 n GLU 31 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1th7 s VAL 32 N -1.48 1.67 -0.01 2.62 -7.23 -0.43 -1.30 120.40 114.23 1th7 s VAL 32 Ca 0.72 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 59.35 1th7 s VAL 32 Cb -0.45 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1th7 s VAL 32 CO 0.50 -0.12 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.44 1th7 s ARG 33 N -2.03 1.06 0.00 4.82 3.52 -0.28 0.10 118.95 126.15 1th7 s ARG 33 Ca 0.07 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1th7 s ARG 33 Cb -0.09 -1.02 0.00 0.00 -1.56 0.00 0.00 34.95 32.28 1th7 s ARG 33 CO 0.04 0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.21 1th7 n GLY 34 N 2.82 -1.20 3.67 8.12 0.00 -0.70 -0.20 105.19 117.71 1th7 n GLY 34 Ca -0.14 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.80 4.32 -0.24 1.61 -1.94 -0.11 -1.07 119.30 120.07 1th7 s MET 35 Ca 0.00 1.19 -0.29 0.00 -1.71 0.00 0.00 55.69 54.88 1th7 s MET 35 Cb 0.00 -3.58 -0.01 0.00 2.01 0.00 0.00 34.83 33.25 1th7 s MET 35 CO 0.00 -0.39 1.40 -1.17 -0.01 0.00 0.00 175.02 174.85 1th7 s LEU 36 N 2.34 3.96 -0.01 -0.03 2.96 -0.47 -1.06 118.68 126.36 1th7 s LEU 36 Ca 0.42 1.46 0.14 0.00 -0.22 0.00 0.00 54.13 55.93 1th7 s LEU 36 Cb -0.17 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.79 1th7 s LEU 36 CO 0.13 -1.07 0.39 0.54 -1.32 0.00 0.00 176.35 175.01 1th7 n ARG 37 N 7.28 0.99 -3.55 1.98 5.12 0.42 0.10 116.66 129.01 1th7 n ARG 37 Ca 0.16 -0.09 -0.16 0.00 -1.93 0.00 0.00 57.85 55.83 1th7 n ARG 37 Cb 0.46 -1.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.41 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 -3.26 -0.60 0.07 0.55 0.15 -1.18 -4.89 113.70 104.54 1th7 s SER 38 Ca -0.02 0.73 -0.23 0.00 0.70 0.00 0.00 55.95 57.13 1th7 s SER 38 Cb 0.09 0.60 0.06 0.00 -1.71 0.00 0.00 66.02 65.06 1th7 s SER 38 CO 0.58 -0.49 0.55 -0.72 1.20 0.00 0.00 173.24 174.35 1th7 s TYR 39 N -0.95 -0.46 0.23 3.44 -0.85 -1.26 -2.08 117.35 115.43 1th7 s TYR 39 Ca -0.07 0.46 0.05 0.00 -0.52 0.00 0.00 57.07 56.99 1th7 s TYR 39 Cb -0.01 0.39 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 1th7 s TYR 39 CO 0.07 -0.69 0.20 -0.40 -1.52 0.00 0.00 175.55 173.20 1th7 n ASP 40 N 0.23 -0.50 0.20 -0.18 5.68 -1.10 -4.96 116.55 115.93 1th7 n ASP 40 Ca -0.18 -2.51 0.14 0.00 -0.50 0.00 0.00 54.79 51.75 1th7 n ASP 40 Cb 0.61 1.16 0.71 0.00 -1.14 0.00 0.00 41.12 42.47 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 -0.37 0.11 -0.00 -1.92 -0.58 115.11 112.35 1th7 h GLN 41 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 1th7 h GLN 41 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.31 1th7 h GLN 41 CO 0.24 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.79 1th7 n HIS 42 N -2.50 0.48 -2.28 0.06 8.25 -1.26 -1.08 115.22 116.90 1th7 n HIS 42 Ca -0.01 -0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 57.05 1th7 n HIS 42 Cb 0.11 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 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 1.48 -1.22 -2.47 -0.41 2.81 -0.22 -4.26 117.12 112.82 1th7 n MET 43 Ca 0.19 0.75 -0.42 0.00 -1.81 0.00 0.00 57.70 56.41 1th7 n MET 43 Cb 0.61 -5.09 -0.03 0.00 -0.71 0.00 0.00 33.22 27.99 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 -2.32 7.15 0.26 7.83 0.01 -1.26 -3.59 114.94 123.02 1th7 s ASN 44 Ca 0.00 2.00 0.05 0.00 -0.71 0.00 0.00 52.86 54.20 1th7 s ASN 44 Cb 0.00 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 1th7 s ASN 44 CO 0.00 -0.40 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.41 1th7 s LEU 45 N 0.75 2.34 -0.06 0.60 1.43 -0.18 -2.71 118.68 120.85 1th7 s LEU 45 Ca 0.56 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1th7 s LEU 45 Cb -0.29 -0.46 0.02 0.00 0.03 0.00 0.00 46.19 45.50 1th7 s LEU 45 CO 0.30 -0.44 -0.04 -0.69 0.23 0.00 0.00 176.35 175.72 1th7 s VAL 46 N -3.21 0.56 -0.04 -1.59 1.01 -0.88 0.03 120.40 116.28 1th7 s VAL 46 Ca 0.29 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1th7 s VAL 46 Cb 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1th7 s VAL 46 CO 0.11 0.25 -0.22 -0.76 0.00 0.00 0.00 175.10 174.48 1th7 s LEU 47 N 1.27 2.02 0.33 3.92 1.43 -0.35 -0.44 118.68 126.87 1th7 s LEU 47 Ca -0.05 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.71 1th7 s LEU 47 Cb -0.14 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 1th7 s LEU 47 CO -0.02 0.24 0.02 -0.94 0.23 0.00 0.00 176.35 175.88 1th7 s SER 48 N -0.29 4.24 -1.43 2.29 1.04 -0.23 -0.42 113.70 118.91 1th7 s SER 48 Ca 0.02 -0.94 -0.12 0.00 0.48 0.00 0.00 55.95 55.40 1th7 s SER 48 Cb -0.11 -0.57 0.08 0.00 0.10 0.00 0.00 66.02 65.52 1th7 s SER 48 CO 0.01 -0.22 0.66 0.47 0.98 0.00 0.00 173.24 175.14 1th7 n ASP 49 N -0.96 -4.10 -4.90 7.02 9.92 -1.13 -0.93 116.55 121.47 1th7 n ASP 49 Ca -0.04 -0.56 -0.28 0.00 -0.53 0.00 0.00 54.79 53.37 1th7 n ASP 49 Cb 0.62 -3.35 -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 -2.93 6.36 0.04 -2.24 1.04 -0.26 -4.52 113.70 111.18 1th7 s SER 50 Ca 0.51 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1th7 s SER 50 Cb -0.26 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 1th7 s SER 50 CO 0.63 -0.47 -0.04 -1.61 0.98 0.00 0.00 173.24 172.72 1th7 s GLU 51 N -4.33 0.46 -0.24 4.02 2.02 0.72 -0.70 118.70 120.65 1th7 s GLU 51 Ca 0.48 -0.82 -0.14 0.00 0.02 0.00 0.00 54.97 54.50 1th7 s GLU 51 Cb -0.10 0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.09 1th7 s GLU 51 CO 0.39 -0.04 0.32 -2.00 0.02 0.00 0.00 175.26 173.96 1th7 s GLU 52 N -2.17 4.07 0.00 1.61 2.12 0.22 -1.12 118.70 123.44 1th7 s GLU 52 Ca -0.08 -0.00 -0.30 0.00 0.36 0.00 0.00 54.97 54.95 1th7 s GLU 52 Cb -0.05 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1th7 s GLU 52 CO -0.03 -0.13 1.13 0.42 -0.54 0.00 0.00 175.26 176.11 1th7 s ILE 53 N 1.63 4.36 0.49 -3.70 -1.09 -0.42 -0.70 121.20 121.76 1th7 s ILE 53 Ca 0.14 1.69 0.03 0.00 -2.23 0.00 0.00 60.65 60.28 1th7 s ILE 53 Cb -0.15 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.67 1th7 s ILE 53 CO 0.08 0.09 0.69 -1.10 -1.23 0.00 0.00 174.94 173.48 1th7 s GLN 54 N 1.40 2.74 0.49 2.79 -1.52 0.10 -4.53 119.66 121.12 1th7 s GLN 54 Ca 0.56 -0.84 0.14 0.00 -1.95 0.00 0.00 55.36 53.26 1th7 s GLN 54 Cb -0.25 -2.58 1.16 0.00 -0.22 0.00 0.00 33.01 31.11 1th7 s GLN 54 CO 0.26 -0.49 2.12 0.66 -0.25 0.00 0.00 175.29 177.60 1th7 h SER 55 N 0.30 0.13 -0.03 5.90 4.64 -1.96 -1.35 113.55 121.19 1th7 h SER 55 Ca -0.43 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1th7 h SER 55 Cb 1.28 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1th7 h SER 55 CO 0.52 0.10 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 1th7 n ASP 56 N -4.52 1.10 0.00 4.97 3.85 -1.26 -4.91 116.55 115.78 1th7 n ASP 56 Ca -0.01 -1.40 0.00 0.00 -0.71 0.00 0.00 54.79 52.67 1th7 n ASP 56 Cb 0.09 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1th7 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1th7 n GLY 57 N 1.11 2.60 3.74 6.12 0.00 -0.51 -5.07 105.19 113.19 1th7 n GLY 57 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.26 3.93 -0.06 1.61 1.04 -1.26 -4.63 113.70 113.07 1th7 s SER 58 Ca 0.00 1.61 0.04 0.00 0.48 0.00 0.00 55.95 58.08 1th7 s SER 58 Cb 0.00 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1th7 s SER 58 CO 0.00 -2.37 -0.18 -0.83 0.98 0.00 0.00 173.24 170.84 1th7 s GLY 59 N -3.43 1.00 -0.18 7.32 0.00 -1.26 0.02 107.32 110.79 1th7 s GLY 59 Ca 0.62 -0.71 -0.13 0.00 0.00 0.00 0.00 44.72 44.51 1th7 s GLY 59 CO 0.56 -0.26 0.27 1.25 0.00 0.00 0.00 173.10 174.92 1th7 s LYS 60 N 0.22 4.22 0.17 2.90 2.20 0.12 -4.81 119.74 124.76 1th7 s LYS 60 Ca -0.09 0.02 -0.31 0.00 -0.36 0.00 0.00 55.97 55.23 1th7 s LYS 60 Cb -0.14 -3.45 -0.10 0.00 -1.51 0.00 0.00 37.83 32.63 1th7 s LYS 60 CO 0.04 0.19 1.54 0.15 -0.36 0.00 0.00 175.35 176.90 1th7 s LYS 61 N 0.64 4.23 -0.00 4.03 1.02 -1.26 0.73 119.74 129.12 1th7 s LYS 61 Ca 0.15 2.33 0.01 0.00 0.02 0.00 0.00 55.97 58.48 1th7 s LYS 61 Cb -0.13 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1th7 s LYS 61 CO 0.04 -0.57 0.02 1.28 -0.92 0.00 0.00 175.35 175.20 1th7 n LEU 62 N 3.73 0.00 0.00 3.17 4.32 0.12 -4.87 117.00 123.47 1th7 n LEU 62 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1th7 n LEU 62 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1th7 n LEU 62 CO 0.61 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 1th7 n GLY 63 N 2.49 0.35 3.75 -0.72 0.00 -1.07 -4.75 105.19 105.23 1th7 n GLY 63 Ca -0.00 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 5.26 0.02 2.61 2.01 -1.26 -1.11 115.64 123.17 1th7 s THR 64 Ca 0.00 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.67 1th7 s THR 64 Cb 0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1th7 s THR 64 CO 0.00 0.41 -0.09 0.27 -0.69 0.00 0.00 174.62 174.53 1th7 s ILE 65 N 0.22 0.65 -0.23 1.82 -4.36 0.44 -4.99 121.20 114.76 1th7 s ILE 65 Ca 0.19 -0.68 -0.07 0.00 -0.26 0.00 0.00 60.65 59.83 1th7 s ILE 65 Cb -0.14 -0.61 -0.03 0.00 1.25 0.00 0.00 42.46 42.93 1th7 s ILE 65 CO 0.06 -0.04 0.06 -0.69 0.24 0.00 0.00 174.94 174.57 1th7 s VAL 66 N -0.67 4.38 -0.19 8.37 1.01 -1.26 -1.22 120.40 130.82 1th7 s VAL 66 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1th7 s VAL 66 Cb -0.06 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1th7 s VAL 66 CO 0.00 0.38 -0.03 -0.63 0.00 0.00 0.00 175.10 174.82 1th7 s ILE 67 N 1.25 3.75 -0.07 2.22 1.01 0.10 -4.98 121.20 124.49 1th7 s ILE 67 Ca 0.05 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 1th7 s ILE 67 Cb -0.15 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1th7 s ILE 67 CO 0.03 0.45 1.19 -0.60 0.00 0.00 0.00 174.94 176.01 1th7 s ARG 68 N 0.90 4.35 0.53 2.79 3.52 -1.26 -1.01 118.95 128.76 1th7 s ARG 68 Ca 0.00 1.66 0.27 0.00 -0.13 0.00 0.00 55.73 57.53 1th7 s ARG 68 Cb -0.14 -3.57 1.42 0.00 -1.56 0.00 0.00 34.95 31.09 1th7 s ARG 68 CO 0.01 -0.46 1.95 0.78 -0.81 0.00 0.00 175.30 176.77 1th7 h GLY 69 N 8.31 0.04 1.53 8.12 0.00 -1.74 -2.32 103.07 117.00 1th7 h GLY 69 Ca -0.33 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.02 1th7 h GLY 69 CO 0.89 0.00 0.20 -1.80 0.00 0.00 0.00 176.54 175.83 1th7 h ASP 70 N 0.02 0.00 -0.01 0.19 1.82 -1.88 -0.61 116.42 115.95 1th7 h ASP 70 Ca 0.33 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1th7 h ASP 70 Cb 1.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 1th7 h ASP 70 CO -0.01 0.00 -0.26 0.59 -1.61 0.00 0.00 179.24 177.95 1th7 n ASN 71 N -3.44 2.34 -4.71 2.28 3.02 -0.87 -4.95 115.26 108.92 1th7 n ASN 71 Ca 0.00 -1.67 -0.42 0.00 -0.03 0.00 0.00 54.58 52.46 1th7 n ASN 71 Cb 0.30 0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 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 -2.27 4.60 -0.22 2.41 1.01 -0.24 -0.55 120.40 125.13 1th7 s VAL 72 Ca 0.23 1.91 -0.16 0.00 0.00 0.00 0.00 61.98 63.96 1th7 s VAL 72 Cb 0.19 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1th7 s VAL 72 CO 0.45 0.17 -0.29 -0.38 0.00 0.00 0.00 175.10 175.06 1th7 n ILE 73 N 3.73 1.51 -3.66 2.22 5.41 0.20 -4.92 119.36 123.85 1th7 n ILE 73 Ca 0.06 -0.11 -0.11 0.00 1.00 0.00 0.00 62.75 63.59 1th7 n ILE 73 Cb 0.50 -2.11 -0.05 0.00 -0.71 0.00 0.00 39.64 37.26 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 0.49 -0.05 1.39 0.05 -1.18 -5.01 118.68 106.63 1th7 s LEU 74 Ca -0.32 -0.23 0.04 0.00 0.05 0.00 0.00 54.13 53.66 1th7 s LEU 74 Cb 0.09 1.73 -0.00 0.00 -2.05 0.00 0.00 46.19 45.96 1th7 s LEU 74 CO 0.46 -0.77 -0.17 -0.63 -0.55 0.00 0.00 176.35 174.68 1th7 s ILE 75 N -3.33 1.48 -0.09 1.48 1.01 -1.26 -1.36 121.20 119.14 1th7 s ILE 75 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1th7 s ILE 75 Cb 0.01 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.22 1th7 s ILE 75 CO -0.08 0.43 -0.04 -0.55 0.00 0.00 0.00 174.94 174.70 1th7 s SER 76 N 0.17 1.79 0.27 3.58 0.15 0.22 -4.97 113.70 114.91 1th7 s SER 76 Ca -0.07 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.10 1th7 s SER 76 Cb -0.13 -0.62 -0.10 0.00 -1.71 0.00 0.00 66.02 63.46 1th7 s SER 76 CO 0.03 -0.15 1.38 -2.84 1.20 0.00 0.00 173.24 172.87 1th7 s PRO 77 N 1.74 4.31 0.00 5.44 0.02 -1.26 -0.61 135.00 144.64 1th7 s PRO 77 Ca 0.03 2.25 0.19 0.00 0.02 0.00 0.00 61.00 63.50 1th7 s PRO 77 Cb -0.13 -3.10 0.15 0.00 0.02 0.00 0.00 34.50 31.44 1th7 s PRO 77 CO -0.06 -0.33 1.11 1.28 -0.33 0.00 0.00 177.00 178.68