#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 3.32 0.21 4.61 0.00 -1.26 -4.91 121.76 123.74 1th7 s ALA 2 Ca 0.00 1.49 -0.32 0.00 0.00 0.00 0.00 51.96 53.13 1th7 s ALA 2 Cb 0.00 -3.59 -0.12 0.00 0.00 0.00 0.00 23.12 19.41 1th7 s ALA 2 CO 0.00 -1.15 1.72 -1.33 0.00 0.00 0.00 175.76 175.00 1th7 n MET 3 N -0.03 2.78 -1.91 0.00 2.81 -0.22 -4.88 117.12 115.67 1th7 n MET 3 Ca 0.04 1.00 -0.42 0.00 -1.81 0.00 0.00 57.70 56.51 1th7 n MET 3 Cb 0.41 -2.85 -0.03 0.00 -0.71 0.00 0.00 33.22 30.04 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 1.15 6.57 0.51 7.83 3.84 -1.26 -4.88 114.94 128.69 1th7 s ASN 4 Ca 0.75 2.63 0.32 0.00 0.21 0.00 0.00 52.86 56.77 1th7 s ASN 4 Cb -0.50 -2.59 1.44 0.00 -0.55 0.00 0.00 41.25 39.05 1th7 s ASN 4 CO 0.33 -0.85 1.80 0.15 -2.79 0.00 0.00 177.10 175.74 1th7 h PHE 5 N 6.96 0.16 -0.41 0.43 3.04 -2.02 -0.63 116.94 124.48 1th7 h PHE 5 Ca -0.43 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1th7 h PHE 5 Cb 1.20 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1th7 h PHE 5 CO 0.66 0.01 0.00 1.28 -2.02 0.00 0.00 178.31 178.24 1th7 n LEU 6 N -4.30 3.38 -3.94 0.59 4.77 -1.26 -4.66 117.00 111.58 1th7 n LEU 6 Ca 0.25 -1.60 -0.43 0.00 -0.03 0.00 0.00 56.01 54.21 1th7 n LEU 6 Cb 1.14 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1th7 n LEU 6 CO 0.36 0.76 1.98 0.00 -1.33 0.00 0.00 177.39 179.16 1th7 n ALA 7 N 1.35 5.16 -0.32 -1.18 0.00 -0.25 -4.82 120.51 120.45 1th7 n ALA 7 Ca 0.18 -4.24 0.11 0.00 0.00 0.00 0.00 53.44 49.50 1th7 n ALA 7 Cb 0.57 -3.08 0.29 0.00 0.00 0.00 0.00 19.45 17.22 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 6.00 0.61 -0.61 0.00 3.07 -1.83 -2.47 114.58 119.34 1th7 h GLU 8 Ca 0.41 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 1th7 h GLU 8 Cb 0.67 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1th7 h GLU 8 CO 1.61 0.40 0.33 1.15 -1.40 0.00 0.00 179.01 181.10 1th7 h THR 9 N 0.63 1.20 -0.57 1.13 2.02 -1.98 0.15 112.91 115.49 1th7 h THR 9 Ca 0.54 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1th7 h THR 9 Cb 0.87 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1th7 h THR 9 CO -0.41 0.22 0.10 0.00 0.37 0.00 0.00 175.52 175.80 1th7 h ALA 10 N 1.15 0.75 -0.53 6.16 0.00 -1.87 -1.83 119.26 123.09 1th7 h ALA 10 Ca 0.22 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1th7 h ALA 10 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1th7 h ALA 10 CO -0.03 0.49 -0.00 1.25 0.00 0.00 0.00 179.25 180.95 1th7 h HIS 11 N 0.83 0.96 -0.62 0.00 6.17 -1.10 -2.88 115.15 118.52 1th7 h HIS 11 Ca 0.17 -0.15 -0.01 0.00 0.71 0.00 0.00 60.37 61.10 1th7 h HIS 11 Cb 0.40 -0.26 -0.03 0.00 2.52 0.00 0.00 27.41 30.04 1th7 h HIS 11 CO 0.03 0.87 0.34 -0.22 0.71 0.00 0.00 177.93 179.67 1th7 h LYS 12 N 0.83 0.86 -0.51 5.26 3.64 -0.41 0.69 116.57 126.93 1th7 h LYS 12 Ca 0.15 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1th7 h LYS 12 Cb 0.50 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1th7 h LYS 12 CO 0.02 0.65 0.30 0.28 -2.27 0.00 0.00 179.45 178.43 1th7 h VAL 13 N 0.84 1.04 -0.24 2.00 2.07 -1.13 0.75 116.25 121.57 1th7 h VAL 13 Ca 0.22 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 1th7 h VAL 13 Cb 0.03 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1th7 h VAL 13 CO -0.04 0.11 -0.36 -0.07 0.02 0.00 0.00 177.57 177.23 1th7 h LEU 14 N 0.59 0.74 -0.89 2.57 3.38 -1.33 -1.80 115.31 118.58 1th7 h LEU 14 Ca 0.21 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1th7 h LEU 14 Cb 0.03 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1th7 h LEU 14 CO -0.10 1.11 0.58 0.00 0.09 0.00 0.00 178.44 180.12 1th7 h ALA 15 N 0.65 1.15 0.00 1.53 0.00 -0.63 -0.91 119.26 121.04 1th7 h ALA 15 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1th7 h ALA 15 Cb 0.95 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1th7 h ALA 15 CO 0.08 0.48 0.00 0.93 0.00 0.00 0.00 179.25 180.74 1th7 h GLU 16 N 1.16 0.00 0.00 0.00 5.08 -0.80 -2.93 114.58 117.08 1th7 h GLU 16 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1th7 h GLU 16 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1th7 h GLU 16 CO -0.09 0.00 -0.61 0.43 -1.00 0.00 0.00 179.01 177.73 1th7 n SER 17 N -2.41 0.67 -4.70 1.42 7.64 -0.44 -4.80 113.62 110.99 1th7 n SER 17 Ca 0.04 0.09 -0.43 0.00 1.01 0.00 0.00 58.87 59.58 1th7 n SER 17 Cb 0.39 0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.05 3.70 -1.20 -3.43 7.94 -0.63 -0.75 117.00 120.59 1th7 n LEU 18 Ca 0.03 1.11 -0.13 0.00 -1.11 0.00 0.00 56.01 55.91 1th7 n LEU 18 Cb 0.43 -1.51 -0.04 0.00 0.53 0.00 0.00 43.42 42.83 1th7 n LEU 18 CO 0.36 -0.07 -0.14 0.59 -1.11 0.00 0.00 177.39 177.01 1th7 n ASN 19 N 2.97 -4.44 -4.32 1.96 5.03 0.31 -4.98 115.26 111.79 1th7 n ASN 19 Ca 0.13 0.21 -0.17 0.00 0.87 0.00 0.00 54.58 55.62 1th7 n ASN 19 Cb 0.33 -3.30 -0.10 0.00 -1.02 0.00 0.00 39.78 35.69 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 -2.69 1.83 0.17 6.41 0.01 0.07 -4.87 114.94 115.88 1th7 s ASN 20 Ca 0.00 -1.18 -0.30 0.00 -0.71 0.00 0.00 52.86 50.67 1th7 s ASN 20 Cb 0.00 0.00 -0.08 0.00 0.41 0.00 0.00 41.25 41.59 1th7 s ASN 20 CO 0.00 -0.48 1.22 -0.22 -1.51 0.00 0.00 177.10 176.11 1th7 s LEU 21 N -3.28 4.43 0.05 0.60 1.98 -1.26 -0.99 118.68 120.21 1th7 s LEU 21 Ca 0.26 2.24 -0.01 0.00 -2.89 0.00 0.00 54.13 53.73 1th7 s LEU 21 Cb 0.05 -3.60 -0.04 0.00 0.66 0.00 0.00 46.19 43.26 1th7 s LEU 21 CO 0.07 -0.41 -0.02 0.68 -1.89 0.00 0.00 176.35 174.78 1th7 s VAL 22 N 0.11 0.20 -0.12 1.68 -7.23 -0.14 -0.98 120.40 113.92 1th7 s VAL 22 Ca 0.54 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1th7 s VAL 22 Cb -0.33 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1th7 s VAL 22 CO 0.36 -0.93 -0.13 -0.22 -0.31 0.00 0.00 175.10 173.88 1th7 s LEU 23 N -2.74 2.76 -0.16 1.32 2.96 0.59 -1.92 118.68 121.49 1th7 s LEU 23 Ca 0.04 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1th7 s LEU 23 Cb 0.06 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 45.15 1th7 s LEU 23 CO -0.09 0.20 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.28 1th7 s VAL 24 N 0.15 1.80 -0.10 1.68 1.01 0.35 -0.55 120.40 124.75 1th7 s VAL 24 Ca -0.07 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 1th7 s VAL 24 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1th7 s VAL 24 CO 0.05 0.50 0.54 -0.54 0.00 0.00 0.00 175.10 175.64 1th7 s LYS 25 N 1.36 4.36 0.23 2.72 1.02 -0.41 -1.66 119.74 127.35 1th7 s LYS 25 Ca 0.04 0.57 0.10 0.00 0.02 0.00 0.00 55.97 56.70 1th7 s LYS 25 Cb -0.13 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 1th7 s LYS 25 CO -0.11 0.15 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.86 1th7 s LEU 26 N 0.60 2.91 -0.02 3.17 1.43 -1.26 -0.57 118.68 124.94 1th7 s LEU 26 Ca 0.29 -0.72 -0.28 0.00 -1.03 0.00 0.00 54.13 52.39 1th7 s LEU 26 Cb -0.16 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1th7 s LEU 26 CO 0.13 0.06 0.89 -0.54 0.23 0.00 0.00 176.35 177.11 1th7 s LYS 27 N -3.21 4.52 -1.16 1.70 1.02 0.04 -4.06 119.74 118.59 1th7 s LYS 27 Ca 0.27 1.24 -0.21 0.00 0.02 0.00 0.00 55.97 57.29 1th7 s LYS 27 Cb -0.07 -3.46 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1th7 s LYS 27 CO 0.16 -0.02 0.77 0.41 -0.92 0.00 0.00 175.35 175.75 1th7 n GLY 28 N 2.97 -0.93 0.00 -3.33 0.00 -1.26 -4.97 105.19 97.67 1th7 n GLY 28 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1th7 n GLY 28 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1th7 n ASN 29 N -2.65 0.00 -4.73 1.61 2.85 -1.26 -5.15 115.26 105.93 1th7 n ASN 29 Ca -0.11 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 53.97 1th7 n ASN 29 Cb 0.59 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.65 1th7 n ASN 29 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1th7 n LYS 30 N -0.13 1.74 -1.30 1.20 5.02 -1.26 -4.29 118.16 119.14 1th7 n LYS 30 Ca 0.00 0.64 -0.35 0.00 -2.02 0.00 0.00 58.31 56.57 1th7 n LYS 30 Cb 0.00 -2.54 0.10 0.00 -0.02 0.00 0.00 35.03 32.57 1th7 n LYS 30 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1th7 n GLU 31 N -0.80 0.44 -4.26 1.97 1.02 -1.26 -4.69 120.64 113.06 1th7 n GLU 31 Ca 0.10 0.21 -0.21 0.00 -0.02 0.00 0.00 57.16 57.24 1th7 n GLU 31 Cb 0.44 -2.27 -0.12 0.00 -0.02 0.00 0.00 31.44 29.47 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 -1.88 1.51 0.01 2.62 -7.23 -0.67 -0.75 120.40 114.01 1th7 s VAL 32 Ca 0.73 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1th7 s VAL 32 Cb -0.33 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1th7 s VAL 32 CO 0.51 -0.24 -0.10 -0.60 -0.31 0.00 0.00 175.10 174.36 1th7 s ARG 33 N -2.25 0.74 0.00 4.82 3.52 -0.25 -0.49 118.95 125.04 1th7 s ARG 33 Ca 0.07 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1th7 s ARG 33 Cb -0.08 -0.70 0.00 0.00 -1.56 0.00 0.00 34.95 32.61 1th7 s ARG 33 CO 0.04 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.12 1th7 n GLY 34 N 2.48 -1.46 3.66 8.12 0.00 -0.81 -0.39 105.19 116.78 1th7 n GLY 34 Ca -0.16 -1.04 -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 -1.65 4.25 -0.12 1.61 -1.94 -0.41 -0.97 119.30 120.07 1th7 s MET 35 Ca 0.00 1.01 -0.29 0.00 -1.71 0.00 0.00 55.69 54.70 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 -0.43 1.40 -1.17 -0.01 0.00 0.00 175.02 174.81 1th7 s LEU 36 N 2.52 4.24 -0.00 -0.03 2.96 -0.16 -0.65 118.68 127.56 1th7 s LEU 36 Ca 0.37 1.90 0.07 0.00 -0.22 0.00 0.00 54.13 56.25 1th7 s LEU 36 Cb -0.16 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 1th7 s LEU 36 CO 0.10 -0.81 0.28 0.54 -1.32 0.00 0.00 176.35 175.14 1th7 n ARG 37 N 6.70 3.86 -3.59 1.98 5.12 0.42 0.11 116.66 131.27 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 -0.90 -0.06 0.00 -1.16 0.00 0.00 32.46 30.78 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 -1.88 -0.47 0.09 0.55 0.15 -1.19 -4.89 113.70 106.06 1th7 s SER 38 Ca 0.02 0.66 -0.20 0.00 0.70 0.00 0.00 55.95 57.13 1th7 s SER 38 Cb 0.05 0.59 0.05 0.00 -1.71 0.00 0.00 66.02 65.00 1th7 s SER 38 CO 0.30 -0.33 0.48 -0.72 1.20 0.00 0.00 173.24 174.17 1th7 s TYR 39 N -0.64 -0.35 0.17 3.44 -0.85 -1.26 -1.88 117.35 115.98 1th7 s TYR 39 Ca -0.02 0.23 0.04 0.00 -0.52 0.00 0.00 57.07 56.80 1th7 s TYR 39 Cb -0.02 0.34 -0.01 0.00 0.38 0.00 0.00 41.96 42.64 1th7 s TYR 39 CO 0.01 -0.69 0.14 -0.40 -1.52 0.00 0.00 175.55 173.09 1th7 n ASP 40 N 0.08 -0.33 0.18 -0.18 5.68 -1.08 -4.96 116.55 115.93 1th7 n ASP 40 Ca -0.17 -2.13 0.13 0.00 -0.50 0.00 0.00 54.79 52.12 1th7 n ASP 40 Cb 0.62 0.86 0.61 0.00 -1.14 0.00 0.00 41.12 42.07 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 -0.27 0.11 -0.00 -1.91 -1.18 115.11 111.86 1th7 h GLN 41 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1th7 h GLN 41 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.10 1th7 h GLN 41 CO 0.18 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.73 1th7 n HIS 42 N -2.42 0.33 -2.20 0.06 8.25 -1.26 -1.06 115.22 116.92 1th7 n HIS 42 Ca 0.00 -0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 1th7 n HIS 42 Cb 0.16 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 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 1.43 -1.03 -2.49 -0.41 2.81 -0.45 -4.31 117.12 112.67 1th7 n MET 43 Ca 0.18 0.64 -0.42 0.00 -1.81 0.00 0.00 57.70 56.29 1th7 n MET 43 Cb 0.60 -4.85 -0.03 0.00 -0.71 0.00 0.00 33.22 28.22 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 -2.44 7.18 0.25 7.83 0.01 -1.26 -3.56 114.94 122.95 1th7 s ASN 44 Ca 0.00 2.01 0.04 0.00 -0.71 0.00 0.00 52.86 54.20 1th7 s ASN 44 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 1th7 s ASN 44 CO 0.00 -0.35 -0.00 -0.76 -1.51 0.00 0.00 177.10 174.48 1th7 s LEU 45 N 0.48 2.22 -0.06 0.60 1.43 -0.26 -2.64 118.68 120.44 1th7 s LEU 45 Ca 0.54 -1.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1th7 s LEU 45 Cb -0.29 -0.33 0.02 0.00 0.03 0.00 0.00 46.19 45.62 1th7 s LEU 45 CO 0.31 -0.50 -0.05 -0.69 0.23 0.00 0.00 176.35 175.65 1th7 s VAL 46 N -3.35 0.63 -0.03 -1.59 1.01 -0.79 0.19 120.40 116.47 1th7 s VAL 46 Ca 0.30 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1th7 s VAL 46 Cb 0.06 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1th7 s VAL 46 CO 0.10 0.26 -0.23 -0.76 0.00 0.00 0.00 175.10 174.47 1th7 s LEU 47 N 1.18 2.04 0.25 3.92 1.43 -0.48 -0.43 118.68 126.59 1th7 s LEU 47 Ca -0.07 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 1th7 s LEU 47 Cb -0.14 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1th7 s LEU 47 CO -0.01 0.27 0.02 -0.94 0.23 0.00 0.00 176.35 175.92 1th7 s SER 48 N -0.42 4.70 -1.63 2.29 1.04 0.18 -1.08 113.70 118.77 1th7 s SER 48 Ca 0.06 -0.57 -0.15 0.00 0.48 0.00 0.00 55.95 55.77 1th7 s SER 48 Cb -0.10 -0.94 0.12 0.00 0.10 0.00 0.00 66.02 65.20 1th7 s SER 48 CO 0.00 0.01 0.75 0.47 0.98 0.00 0.00 173.24 175.45 1th7 n ASP 49 N -0.85 -3.00 -4.90 7.02 10.43 -1.08 -1.28 116.55 122.87 1th7 n ASP 49 Ca -0.07 -0.98 -0.28 0.00 2.57 0.00 0.00 54.79 56.04 1th7 n ASP 49 Cb 0.58 -2.97 0.02 0.00 1.84 0.00 0.00 41.12 40.59 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 -3.49 5.88 -0.04 -2.24 1.04 -0.03 -4.58 113.70 110.25 1th7 s SER 50 Ca 0.60 0.91 -0.07 0.00 0.48 0.00 0.00 55.95 57.88 1th7 s SER 50 Cb -0.32 -2.00 0.01 0.00 0.10 0.00 0.00 66.02 63.81 1th7 s SER 50 CO 0.91 -0.91 0.16 -1.61 0.98 0.00 0.00 173.24 172.77 1th7 s GLU 51 N -4.97 0.31 -0.09 4.02 2.02 0.48 -0.89 118.70 119.58 1th7 s GLU 51 Ca 0.52 -0.02 -0.21 0.00 0.02 0.00 0.00 54.97 55.29 1th7 s GLU 51 Cb -0.11 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 1th7 s GLU 51 CO 0.47 -0.06 0.59 -2.00 0.02 0.00 0.00 175.26 174.27 1th7 s GLU 52 N -0.50 4.39 -0.12 1.61 2.12 0.16 -1.09 118.70 125.26 1th7 s GLU 52 Ca -0.06 0.66 -0.23 0.00 0.36 0.00 0.00 54.97 55.69 1th7 s GLU 52 Cb -0.04 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 1th7 s GLU 52 CO 0.01 0.11 0.72 0.42 -0.54 0.00 0.00 175.26 175.98 1th7 s ILE 53 N 0.73 5.00 0.36 -3.70 -1.09 0.07 -0.96 121.20 121.60 1th7 s ILE 53 Ca 0.32 1.45 0.05 0.00 -2.23 0.00 0.00 60.65 60.23 1th7 s ILE 53 Cb -0.16 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.66 1th7 s ILE 53 CO 0.14 0.16 0.51 -1.10 -1.23 0.00 0.00 174.94 173.42 1th7 s GLN 54 N 1.40 3.12 0.23 2.79 1.11 -0.97 -4.30 119.66 123.03 1th7 s GLN 54 Ca 0.36 -0.89 -0.10 0.00 0.01 0.00 0.00 55.36 54.74 1th7 s GLN 54 Cb -0.17 -2.77 0.33 0.00 -1.01 0.00 0.00 33.01 29.39 1th7 s GLN 54 CO 0.15 0.00 1.63 0.77 0.01 0.00 0.00 175.29 177.86 1th7 h SER 55 N 0.79 -0.46 -0.05 5.90 0.02 -1.97 0.14 113.55 117.92 1th7 h SER 55 Ca -0.46 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1th7 h SER 55 Cb 1.25 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 1th7 h SER 55 CO 0.54 -0.19 0.01 -2.24 -1.14 0.00 0.00 176.83 173.81 1th7 h ASP 56 N 0.05 0.11 0.00 3.07 3.04 -2.03 -3.46 116.42 117.20 1th7 h ASP 56 Ca 0.35 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 54.14 1th7 h ASP 56 Cb 0.58 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 1th7 h ASP 56 CO -0.65 0.13 0.00 0.61 -2.04 0.00 0.00 179.24 177.28 1th7 n GLY 57 N -1.39 1.96 3.39 7.15 0.00 0.48 -5.11 105.19 111.67 1th7 n GLY 57 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.99 -0.49 -0.04 1.61 1.04 -1.26 -4.66 113.70 107.91 1th7 s SER 58 Ca 0.00 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1th7 s SER 58 Cb 0.00 -1.11 0.03 0.00 0.10 0.00 0.00 66.02 65.03 1th7 s SER 58 CO 0.00 -5.01 -0.01 -0.83 0.98 0.00 0.00 173.24 168.38 1th7 s GLY 59 N -3.36 0.33 -0.32 7.32 0.00 -1.26 -2.29 107.32 107.74 1th7 s GLY 59 Ca 0.69 0.06 -0.17 0.00 0.00 0.00 0.00 44.72 45.30 1th7 s GLY 59 CO 0.57 0.71 0.47 1.25 0.00 0.00 0.00 173.10 176.11 1th7 s LYS 60 N 1.25 3.75 0.29 2.90 2.20 -0.13 -4.82 119.74 125.18 1th7 s LYS 60 Ca -0.06 -0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.17 1th7 s LYS 60 Cb -0.13 -3.76 -0.11 0.00 -1.51 0.00 0.00 37.83 32.32 1th7 s LYS 60 CO -0.02 -0.52 1.57 0.15 -0.36 0.00 0.00 175.35 176.17 1th7 s LYS 61 N 2.28 4.14 0.00 4.03 1.02 -1.26 0.35 119.74 130.29 1th7 s LYS 61 Ca 0.18 2.54 0.00 0.00 0.02 0.00 0.00 55.97 58.71 1th7 s LYS 61 Cb -0.16 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1th7 s LYS 61 CO 0.12 -0.60 0.00 1.28 -0.92 0.00 0.00 175.35 175.23 1th7 n LEU 62 N 2.05 0.00 0.00 3.17 4.77 -0.07 -4.87 117.00 122.04 1th7 n LEU 62 Ca 0.07 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1th7 n LEU 62 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1th7 n LEU 62 CO 0.63 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1th7 n GLY 63 N 0.99 1.29 3.75 -0.72 0.00 -1.16 -4.67 105.19 104.67 1th7 n GLY 63 Ca 0.00 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 5.19 -0.00 2.61 2.01 -1.26 -0.85 115.64 123.34 1th7 s THR 64 Ca 0.00 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.80 1th7 s THR 64 Cb 0.00 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1th7 s THR 64 CO 0.00 0.41 -0.06 0.27 -0.69 0.00 0.00 174.62 174.55 1th7 s ILE 65 N 0.14 0.47 -0.25 1.82 -4.36 -0.24 -4.99 121.20 113.79 1th7 s ILE 65 Ca 0.22 -0.28 -0.09 0.00 -0.26 0.00 0.00 60.65 60.24 1th7 s ILE 65 Cb -0.15 -0.40 -0.04 0.00 1.25 0.00 0.00 42.46 43.12 1th7 s ILE 65 CO 0.09 0.12 0.12 -0.69 0.24 0.00 0.00 174.94 174.82 1th7 s VAL 66 N -0.17 4.89 -0.18 8.37 1.01 -1.26 -1.38 120.40 131.67 1th7 s VAL 66 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1th7 s VAL 66 Cb -0.02 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1th7 s VAL 66 CO -0.00 0.33 0.01 -0.63 0.00 0.00 0.00 175.10 174.81 1th7 s ILE 67 N 1.40 4.23 -0.07 2.22 1.01 0.13 -4.97 121.20 125.14 1th7 s ILE 67 Ca 0.06 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1th7 s ILE 67 Cb -0.15 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1th7 s ILE 67 CO 0.06 0.45 1.11 -0.60 0.00 0.00 0.00 174.94 175.96 1th7 s ARG 68 N 0.61 4.39 0.44 2.79 3.52 -1.26 -1.11 118.95 128.34 1th7 s ARG 68 Ca 0.00 1.54 0.20 0.00 -0.13 0.00 0.00 55.73 57.34 1th7 s ARG 68 Cb -0.14 -3.54 1.16 0.00 -1.56 0.00 0.00 34.95 30.87 1th7 s ARG 68 CO 0.02 -0.38 1.88 0.78 -0.81 0.00 0.00 175.30 176.79 1th7 h GLY 69 N 8.05 0.66 1.77 8.12 0.00 -1.75 -2.31 103.07 117.61 1th7 h GLY 69 Ca -0.33 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1th7 h GLY 69 CO 0.86 0.01 0.11 -0.55 0.00 0.00 0.00 176.54 176.97 1th7 h ASP 70 N 0.32 0.00 0.10 0.19 3.32 -1.88 -0.43 116.42 118.05 1th7 h ASP 70 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1th7 h ASP 70 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1th7 h ASP 70 CO -0.13 0.00 -0.32 0.59 -1.72 0.00 0.00 179.24 177.66 1th7 n ASN 71 N -3.08 1.56 -4.70 6.45 3.02 -0.87 -4.92 115.26 112.72 1th7 n ASN 71 Ca -0.02 -1.24 -0.42 0.00 -0.03 0.00 0.00 54.58 52.87 1th7 n ASN 71 Cb 0.18 0.26 -0.03 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 -2.43 4.89 -0.22 2.41 1.01 -0.17 -0.78 120.40 125.10 1th7 s VAL 72 Ca 0.23 1.86 -0.17 0.00 0.00 0.00 0.00 61.98 63.90 1th7 s VAL 72 Cb 0.19 -4.23 -0.13 0.00 0.00 0.00 0.00 36.38 32.21 1th7 s VAL 72 CO 0.52 0.13 -0.11 -0.38 0.00 0.00 0.00 175.10 175.26 1th7 n ILE 73 N 4.14 1.52 -3.54 2.22 5.41 0.27 -4.92 119.36 124.46 1th7 n ILE 73 Ca 0.05 -0.12 -0.12 0.00 1.00 0.00 0.00 62.75 63.57 1th7 n ILE 73 Cb 0.50 -2.06 -0.04 0.00 -0.71 0.00 0.00 39.64 37.34 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 -7.78 -0.08 -0.06 1.39 0.05 -1.20 -5.01 118.68 105.99 1th7 s LEU 74 Ca -0.31 -0.09 0.03 0.00 0.05 0.00 0.00 54.13 53.81 1th7 s LEU 74 Cb 0.09 2.20 0.00 0.00 -2.05 0.00 0.00 46.19 46.43 1th7 s LEU 74 CO 0.49 -0.87 -0.16 -0.63 -0.55 0.00 0.00 176.35 174.62 1th7 s ILE 75 N -3.52 1.43 -0.10 1.48 1.01 -1.26 -1.29 121.20 118.95 1th7 s ILE 75 Ca 0.01 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1th7 s ILE 75 Cb 0.00 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1th7 s ILE 75 CO -0.10 0.42 -0.07 -0.55 0.00 0.00 0.00 174.94 174.64 1th7 s SER 76 N 0.37 2.07 0.26 3.58 0.15 0.29 -4.97 113.70 115.45 1th7 s SER 76 Ca -0.12 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 55.97 1th7 s SER 76 Cb -0.15 -0.78 -0.10 0.00 -1.71 0.00 0.00 66.02 63.28 1th7 s SER 76 CO 0.04 -0.12 1.31 -2.84 1.20 0.00 0.00 173.24 172.83 1th7 s PRO 77 N 1.68 4.38 0.00 5.44 0.02 -1.26 -0.30 135.00 144.96 1th7 s PRO 77 Ca 0.04 2.13 0.25 0.00 0.02 0.00 0.00 61.00 63.44 1th7 s PRO 77 Cb -0.13 -3.13 0.43 0.00 0.02 0.00 0.00 34.50 31.69 1th7 s PRO 77 CO -0.07 -0.22 1.40 1.28 -0.33 0.00 0.00 177.00 179.06