#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 2.90 0.23 4.61 0.00 -1.26 -4.91 121.76 123.33 1th7 s ALA 2 Ca 0.00 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 1th7 s ALA 2 Cb 0.00 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.51 1th7 s ALA 2 CO 0.00 -1.09 1.63 -1.64 0.00 0.00 0.00 175.76 174.67 1th7 s MET 3 N -2.80 4.15 0.18 0.00 -1.94 -0.18 -4.90 119.30 113.81 1th7 s MET 3 Ca 0.68 2.54 -0.31 0.00 -1.71 0.00 0.00 55.69 56.89 1th7 s MET 3 Cb -0.36 -3.07 -0.10 0.00 2.01 0.00 0.00 34.83 33.31 1th7 s MET 3 CO 0.43 -0.67 1.51 1.21 -0.01 0.00 0.00 175.02 177.49 1th7 s ASN 4 N 0.87 6.64 0.35 3.03 3.84 -1.26 -4.90 114.94 123.51 1th7 s ASN 4 Ca 0.69 2.58 0.13 0.00 0.21 0.00 0.00 52.86 56.48 1th7 s ASN 4 Cb -0.48 -2.60 0.98 0.00 -0.55 0.00 0.00 41.25 38.60 1th7 s ASN 4 CO 0.38 -0.76 1.74 0.15 -2.79 0.00 0.00 177.10 175.82 1th7 h PHE 5 N 6.32 0.87 -0.04 0.43 3.57 -2.02 -1.14 116.94 124.93 1th7 h PHE 5 Ca -0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1th7 h PHE 5 Cb 1.21 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1th7 h PHE 5 CO 0.64 0.06 0.00 1.28 -2.23 0.00 0.00 178.31 178.06 1th7 n LEU 6 N -4.78 1.86 -3.76 0.59 4.77 -1.26 -4.50 117.00 109.92 1th7 n LEU 6 Ca 0.26 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 1th7 n LEU 6 Cb 0.81 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1th7 n LEU 6 CO 0.20 0.32 2.30 0.00 -1.33 0.00 0.00 177.39 178.88 1th7 n ALA 7 N 0.45 5.65 -0.02 -1.18 0.00 -0.43 -4.77 120.51 120.21 1th7 n ALA 7 Ca 0.18 -4.12 0.10 0.00 0.00 0.00 0.00 53.44 49.60 1th7 n ALA 7 Cb 0.41 -3.17 0.51 0.00 0.00 0.00 0.00 19.45 17.20 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 5.70 0.36 -0.60 0.00 5.08 -1.82 -2.67 114.58 120.63 1th7 h GLU 8 Ca 0.50 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.77 1th7 h GLU 8 Cb 0.59 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1th7 h GLU 8 CO 1.71 0.24 0.09 1.15 -1.00 0.00 0.00 179.01 181.21 1th7 h THR 9 N 0.37 1.26 -0.45 1.13 2.02 -1.98 0.05 112.91 115.32 1th7 h THR 9 Ca 0.21 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 1th7 h THR 9 Cb 0.36 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1th7 h THR 9 CO -0.05 0.37 0.04 0.00 0.37 0.00 0.00 175.52 176.25 1th7 h ALA 10 N 1.02 0.60 -0.80 6.16 0.00 -1.89 -2.01 119.26 122.33 1th7 h ALA 10 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1th7 h ALA 10 Cb 0.43 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1th7 h ALA 10 CO 0.01 0.35 0.45 1.25 0.00 0.00 0.00 179.25 181.32 1th7 h HIS 11 N 0.61 1.09 -0.62 0.00 6.17 -1.28 -2.64 115.15 118.48 1th7 h HIS 11 Ca 0.13 -0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.15 1th7 h HIS 11 Cb 0.43 -0.35 -0.03 0.00 2.52 0.00 0.00 27.41 29.99 1th7 h HIS 11 CO 0.03 0.75 0.20 -0.22 0.71 0.00 0.00 177.93 179.40 1th7 h LYS 12 N 1.11 0.93 -0.42 5.26 3.64 -0.71 0.70 116.57 127.08 1th7 h LYS 12 Ca 0.28 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1th7 h LYS 12 Cb 0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1th7 h LYS 12 CO -0.05 0.80 0.26 0.28 -2.27 0.00 0.00 179.45 178.46 1th7 h VAL 13 N 0.90 1.14 -0.26 2.00 2.07 -1.01 -0.25 116.25 120.84 1th7 h VAL 13 Ca 0.20 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 1th7 h VAL 13 Cb 0.25 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1th7 h VAL 13 CO -0.01 0.14 -0.19 -0.07 0.02 0.00 0.00 177.57 177.46 1th7 h LEU 14 N 0.56 0.61 -0.74 2.57 3.38 -1.29 -2.02 115.31 118.37 1th7 h LEU 14 Ca 0.15 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.74 1th7 h LEU 14 Cb 0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1th7 h LEU 14 CO -0.03 0.93 0.43 0.00 0.09 0.00 0.00 178.44 179.86 1th7 h ALA 15 N 0.70 1.01 0.00 1.53 0.00 -0.65 -0.79 119.26 121.06 1th7 h ALA 15 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1th7 h ALA 15 Cb 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1th7 h ALA 15 CO 0.05 0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.36 1th7 h GLU 16 N 0.79 0.00 0.00 0.00 5.08 -1.00 -2.95 114.58 116.49 1th7 h GLU 16 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1th7 h GLU 16 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1th7 h GLU 16 CO -0.18 0.00 -0.25 0.43 -1.00 0.00 0.00 179.01 178.01 1th7 n SER 17 N -2.79 0.69 -4.73 1.42 7.64 -0.35 -4.83 113.62 110.67 1th7 n SER 17 Ca 0.03 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.85 1th7 n SER 17 Cb 0.38 -0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1th7 n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1th7 n LEU 18 N -2.11 4.11 -1.78 -3.43 4.77 -0.90 -1.67 117.00 115.98 1th7 n LEU 18 Ca 0.05 1.15 -0.16 0.00 -0.03 0.00 0.00 56.01 57.01 1th7 n LEU 18 Cb 0.42 -1.56 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1th7 n LEU 18 CO 0.32 0.02 -0.20 0.59 -1.33 0.00 0.00 177.39 176.79 1th7 n ASN 19 N 2.14 -4.89 -4.16 -1.43 5.03 0.23 -4.97 115.26 107.20 1th7 n ASN 19 Ca 0.09 0.05 -0.10 0.00 0.87 0.00 0.00 54.58 55.49 1th7 n ASN 19 Cb 0.36 -3.98 -0.10 0.00 -1.02 0.00 0.00 39.78 35.04 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 -2.34 0.77 0.25 6.41 0.01 -0.67 -4.91 114.94 114.45 1th7 s ASN 20 Ca 0.00 -1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 50.76 1th7 s ASN 20 Cb 0.00 0.18 -0.09 0.00 0.41 0.00 0.00 41.25 41.75 1th7 s ASN 20 CO 0.00 -0.59 1.16 -0.76 -1.51 0.00 0.00 177.10 175.40 1th7 s LEU 21 N -3.04 4.50 0.04 0.60 1.43 -1.26 -1.25 118.68 119.70 1th7 s LEU 21 Ca 0.16 2.30 -0.01 0.00 -1.03 0.00 0.00 54.13 55.56 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 -0.03 -0.27 -0.03 0.68 0.23 0.00 0.00 176.35 176.94 1th7 s VAL 22 N -0.75 0.16 -0.16 -1.59 -7.23 -0.08 -1.18 120.40 109.57 1th7 s VAL 22 Ca 0.48 -1.35 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1th7 s VAL 22 Cb -0.33 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 1th7 s VAL 22 CO 0.41 -0.75 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.14 1th7 s LEU 23 N -2.19 2.86 -0.18 1.32 2.96 0.09 -1.91 118.68 121.63 1th7 s LEU 23 Ca -0.04 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1th7 s LEU 23 Cb -0.01 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1th7 s LEU 23 CO -0.05 0.11 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.26 1th7 s VAL 24 N 0.70 2.68 -0.17 1.68 1.01 0.45 -0.88 120.40 125.88 1th7 s VAL 24 Ca -0.04 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1th7 s VAL 24 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1th7 s VAL 24 CO 0.02 0.50 0.48 -0.75 0.00 0.00 0.00 175.10 175.35 1th7 s LYS 25 N 1.10 4.25 0.35 2.72 2.47 -0.27 -1.73 119.74 128.63 1th7 s LYS 25 Ca 0.00 0.38 0.09 0.00 -1.56 0.00 0.00 55.97 54.88 1th7 s LYS 25 Cb -0.14 -3.50 -0.05 0.00 -1.46 0.00 0.00 37.83 32.67 1th7 s LYS 25 CO -0.04 -0.00 0.07 -0.51 0.16 0.00 0.00 175.35 175.03 1th7 s LEU 26 N 1.16 3.08 1.03 5.43 1.43 0.37 -0.16 118.68 131.01 1th7 s LEU 26 Ca 0.24 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 1th7 s LEU 26 Cb -0.15 -1.47 0.21 0.00 0.03 0.00 0.00 46.19 44.80 1th7 s LEU 26 CO 0.09 -0.29 1.08 -0.54 0.23 0.00 0.00 176.35 176.92 1th7 s LYS 27 N -3.77 0.15 -0.43 1.70 1.02 -0.18 -2.49 119.74 115.73 1th7 s LYS 27 Ca 0.36 1.02 0.00 0.00 0.02 0.00 0.00 55.97 57.37 1th7 s LYS 27 Cb -0.00 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 1th7 s LYS 27 CO 0.21 -3.06 0.00 0.41 -0.92 0.00 0.00 175.35 171.99 1th7 n GLY 28 N 0.12 0.68 3.54 -3.33 0.00 -1.26 -3.32 105.19 101.61 1th7 n GLY 28 Ca 0.06 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 0.42 -2.40 -4.72 1.61 2.85 -1.20 -5.01 115.26 106.81 1th7 n ASN 29 Ca -0.04 -0.67 -0.27 0.00 -0.11 0.00 0.00 54.58 53.49 1th7 n ASN 29 Cb 0.20 -4.79 -0.07 0.00 1.24 0.00 0.00 39.78 36.36 1th7 n ASN 29 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1th7 s LYS 30 N -5.68 2.60 -0.07 1.20 1.02 -1.04 -4.99 119.74 112.78 1th7 s LYS 30 Ca 0.09 -0.97 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 1th7 s LYS 30 Cb -0.04 -2.49 0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1th7 s LYS 30 CO 0.76 0.48 0.17 -1.21 -0.92 0.00 0.00 175.35 174.63 1th7 s GLU 31 N -2.88 0.16 0.04 1.68 2.02 -1.26 -0.48 118.70 117.97 1th7 s GLU 31 Ca 0.28 0.35 0.04 0.00 0.02 0.00 0.00 54.97 55.66 1th7 s GLU 31 Cb -0.10 -0.06 -0.02 0.00 0.10 0.00 0.00 34.13 34.05 1th7 s GLU 31 CO 0.20 -0.11 -0.11 0.14 0.02 0.00 0.00 175.26 175.40 1th7 s VAL 32 N 0.75 0.84 -0.01 2.63 -7.23 -0.70 -0.85 120.40 115.83 1th7 s VAL 32 Ca -0.05 -0.95 0.05 0.00 -1.81 0.00 0.00 61.98 59.22 1th7 s VAL 32 Cb -0.07 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 36.05 1th7 s VAL 32 CO -0.04 -0.12 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.86 1th7 s ARG 33 N -1.20 1.36 0.00 4.82 3.52 -0.67 -0.41 118.95 126.37 1th7 s ARG 33 Ca -0.02 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1th7 s ARG 33 Cb -0.08 -1.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.98 1th7 s ARG 33 CO 0.01 0.36 0.00 0.41 -0.81 0.00 0.00 175.30 175.27 1th7 n GLY 34 N 2.55 -1.11 3.66 8.12 0.00 -0.80 -1.15 105.19 116.47 1th7 n GLY 34 Ca -0.15 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.95 4.28 -0.09 1.61 -1.94 -0.40 -0.90 119.30 119.91 1th7 s MET 35 Ca 0.00 1.11 -0.30 0.00 -1.71 0.00 0.00 55.69 54.79 1th7 s MET 35 Cb 0.00 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.20 1th7 s MET 35 CO 0.00 -0.43 1.46 -1.17 -0.01 0.00 0.00 175.02 174.87 1th7 s LEU 36 N 2.49 4.27 -0.00 -0.03 2.96 -0.38 -1.29 118.68 126.69 1th7 s LEU 36 Ca 0.40 2.01 0.06 0.00 -0.22 0.00 0.00 54.13 56.38 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 0.11 -0.82 0.22 0.54 -1.32 0.00 0.00 176.35 175.07 1th7 n ARG 37 N 6.60 3.04 -3.56 1.98 5.12 0.10 0.74 116.66 130.68 1th7 n ARG 37 Ca 0.15 -0.02 -0.14 0.00 -1.93 0.00 0.00 57.85 55.91 1th7 n ARG 37 Cb 0.44 -0.94 -0.06 0.00 -1.16 0.00 0.00 32.46 30.74 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 -2.06 -0.53 0.07 0.55 0.15 -1.19 -4.91 113.70 105.79 1th7 s SER 38 Ca 0.01 0.66 -0.23 0.00 0.70 0.00 0.00 55.95 57.08 1th7 s SER 38 Cb 0.05 0.54 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 1th7 s SER 38 CO 0.27 -0.44 0.56 -0.72 1.20 0.00 0.00 173.24 174.11 1th7 s TYR 39 N -0.92 -0.48 0.26 3.44 -0.85 -1.26 -2.05 117.35 115.50 1th7 s TYR 39 Ca -0.05 0.48 0.06 0.00 -0.52 0.00 0.00 57.07 57.04 1th7 s TYR 39 Cb -0.01 0.41 -0.02 0.00 0.38 0.00 0.00 41.96 42.72 1th7 s TYR 39 CO 0.05 -0.70 0.23 -0.40 -1.52 0.00 0.00 175.55 173.20 1th7 n ASP 40 N 0.19 -0.57 0.21 -0.18 5.68 -1.09 -4.96 116.55 115.84 1th7 n ASP 40 Ca -0.18 -2.72 0.14 0.00 -0.50 0.00 0.00 54.79 51.54 1th7 n ASP 40 Cb 0.61 1.33 0.74 0.00 -1.14 0.00 0.00 41.12 42.67 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 -0.36 0.11 -0.00 -1.92 -0.45 115.11 112.49 1th7 h GLN 41 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1th7 h GLN 41 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.42 1th7 h GLN 41 CO 0.27 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.82 1th7 n HIS 42 N -2.50 0.46 -2.20 0.06 8.25 -1.26 -1.01 115.22 117.02 1th7 n HIS 42 Ca -0.01 -0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 57.06 1th7 n HIS 42 Cb 0.08 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.19 -2.45 -0.41 2.81 -0.18 -4.27 117.12 112.87 1th7 n MET 43 Ca 0.19 0.77 -0.42 0.00 -1.81 0.00 0.00 57.70 56.42 1th7 n MET 43 Cb 0.60 -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 -2.37 7.11 0.31 7.83 0.01 -1.26 -3.67 114.94 122.90 1th7 s ASN 44 Ca 0.00 1.99 0.04 0.00 -0.71 0.00 0.00 52.86 54.18 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 -0.44 0.03 -0.76 -1.51 0.00 0.00 177.10 174.42 1th7 s LEU 45 N 0.99 2.27 -0.05 0.60 1.43 -0.39 -2.66 118.68 120.87 1th7 s LEU 45 Ca 0.58 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1th7 s LEU 45 Cb -0.29 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.52 1th7 s LEU 45 CO 0.29 -0.54 -0.03 -0.69 0.23 0.00 0.00 176.35 175.61 1th7 s VAL 46 N -3.24 0.47 0.01 -1.59 1.01 -0.87 -0.37 120.40 115.82 1th7 s VAL 46 Ca 0.34 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1th7 s VAL 46 Cb 0.07 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1th7 s VAL 46 CO 0.14 0.22 -0.22 -0.76 0.00 0.00 0.00 175.10 174.48 1th7 s LEU 47 N 1.14 2.10 0.25 3.92 1.43 -0.47 -0.72 118.68 126.32 1th7 s LEU 47 Ca -0.08 -0.46 0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1th7 s LEU 47 Cb -0.14 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 1th7 s LEU 47 CO -0.01 0.23 -0.12 -0.94 0.23 0.00 0.00 176.35 175.74 1th7 s SER 48 N -0.81 4.01 -1.49 2.29 1.04 -0.41 -0.73 113.70 117.59 1th7 s SER 48 Ca 0.09 -0.81 -0.13 0.00 0.48 0.00 0.00 55.95 55.58 1th7 s SER 48 Cb -0.09 -0.55 0.09 0.00 0.10 0.00 0.00 66.02 65.57 1th7 s SER 48 CO 0.00 0.05 0.79 0.47 0.98 0.00 0.00 173.24 175.53 1th7 n ASP 49 N -0.50 -4.47 -4.91 7.02 8.00 -1.10 -1.28 116.55 119.31 1th7 n ASP 49 Ca -0.07 -0.66 -0.27 0.00 0.71 0.00 0.00 54.79 54.50 1th7 n ASP 49 Cb 0.58 -3.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 1th7 n ASP 49 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1th7 s SER 50 N -3.08 6.24 -0.05 -2.24 1.04 -0.42 -4.62 113.70 110.56 1th7 s SER 50 Ca 0.57 0.90 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 1th7 s SER 50 Cb -0.29 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.62 1th7 s SER 50 CO 0.71 -0.59 0.19 -1.83 0.98 0.00 0.00 173.24 172.70 1th7 s GLU 51 N -4.74 0.33 -0.43 4.02 -1.05 -0.30 -0.48 118.70 116.05 1th7 s GLU 51 Ca 0.47 0.07 -0.25 0.00 -0.15 0.00 0.00 54.97 55.11 1th7 s GLU 51 Cb -0.10 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.76 1th7 s GLU 51 CO 0.45 -0.06 0.88 -2.00 0.95 0.00 0.00 175.26 175.47 1th7 s GLU 52 N -0.39 3.59 -0.25 -4.83 2.12 0.16 -1.67 118.70 117.42 1th7 s GLU 52 Ca -0.05 0.20 -0.28 0.00 0.36 0.00 0.00 54.97 55.19 1th7 s GLU 52 Cb -0.03 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 1th7 s GLU 52 CO 0.01 -1.11 1.95 0.42 -0.54 0.00 0.00 175.26 175.99 1th7 s ILE 53 N 3.54 3.29 0.96 -3.70 -1.09 -0.03 -1.91 121.20 122.25 1th7 s ILE 53 Ca 0.35 0.30 -0.13 0.00 -2.23 0.00 0.00 60.65 58.94 1th7 s ILE 53 Cb -0.11 -3.36 0.17 0.00 -1.58 0.00 0.00 42.46 37.58 1th7 s ILE 53 CO 0.23 -0.21 1.15 -1.10 -1.23 0.00 0.00 174.94 173.78 1th7 s GLN 54 N 5.74 0.73 0.43 2.79 1.11 -0.53 -4.61 119.66 125.31 1th7 s GLN 54 Ca 0.88 0.20 0.21 0.00 0.01 0.00 0.00 55.36 56.65 1th7 s GLN 54 Cb -0.28 -1.80 0.94 0.00 -1.01 0.00 0.00 33.01 30.86 1th7 s GLN 54 CO 0.34 -2.46 1.86 1.03 0.01 0.00 0.00 175.29 176.07 1th7 h SER 55 N -1.69 0.00 1.51 5.90 0.87 -1.94 -2.86 113.55 115.35 1th7 h SER 55 Ca -0.50 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 59.96 1th7 h SER 55 Cb 1.32 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1th7 h SER 55 CO 0.56 0.28 -0.48 -2.24 -0.53 0.00 0.00 176.83 174.42 1th7 h ASP 56 N 0.00 0.00 0.00 6.23 3.04 -2.01 -3.48 116.42 120.20 1th7 h ASP 56 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1th7 h ASP 56 Cb 0.67 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.96 1th7 h ASP 56 CO 0.04 0.48 0.00 0.61 -2.04 0.00 0.00 179.24 178.32 1th7 n GLY 57 N 1.21 2.31 0.95 7.15 0.00 -1.08 -5.11 105.19 110.61 1th7 n GLY 57 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1th7 n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1th7 n SER 58 N 0.00 -2.23 -3.71 1.61 3.41 -1.26 -4.58 113.62 106.86 1th7 n SER 58 Ca 0.00 -0.39 -0.11 0.00 -0.26 0.00 0.00 58.87 58.11 1th7 n SER 58 Cb 0.00 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 1th7 n SER 58 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1th7 s GLY 59 N -2.55 -0.32 -0.04 5.00 0.00 -1.26 -1.45 107.32 106.70 1th7 s GLY 59 Ca 0.20 1.40 -0.28 0.00 0.00 0.00 0.00 44.72 46.03 1th7 s GLY 59 CO 0.16 1.43 0.90 1.25 0.00 0.00 0.00 173.10 176.84 1th7 s LYS 60 N 0.95 4.50 0.17 2.90 2.20 -0.81 -4.77 119.74 124.88 1th7 s LYS 60 Ca -0.06 1.25 -0.30 0.00 -0.36 0.00 0.00 55.97 56.50 1th7 s LYS 60 Cb -0.06 -3.47 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 1th7 s LYS 60 CO -0.08 -0.06 1.28 0.15 -0.36 0.00 0.00 175.35 176.29 1th7 s LYS 61 N 1.10 4.41 -0.00 4.03 -0.14 -1.26 0.38 119.74 128.25 1th7 s LYS 61 Ca 0.47 1.98 0.02 0.00 -1.36 0.00 0.00 55.97 57.09 1th7 s LYS 61 Cb -0.20 -3.23 -0.03 0.00 -1.68 0.00 0.00 37.83 32.69 1th7 s LYS 61 CO 0.24 -0.23 0.05 1.28 -0.76 0.00 0.00 175.35 175.92 1th7 n LEU 62 N 2.87 0.00 0.00 3.17 4.32 0.37 -4.88 117.00 122.85 1th7 n LEU 62 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1th7 n LEU 62 Cb 0.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1th7 n LEU 62 CO 0.57 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 1th7 n GLY 63 N 2.40 1.00 3.72 -0.72 0.00 -1.01 -4.68 105.19 105.90 1th7 n GLY 63 Ca -0.01 -0.65 -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 5.17 0.02 2.61 2.01 -1.26 -1.29 115.64 122.90 1th7 s THR 64 Ca 0.00 1.00 0.03 0.00 0.31 0.00 0.00 61.69 63.02 1th7 s THR 64 Cb 0.00 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1th7 s THR 64 CO 0.00 0.31 -0.08 0.27 -0.69 0.00 0.00 174.62 174.43 1th7 s ILE 65 N 0.72 0.62 -0.23 1.82 -4.36 0.09 -4.99 121.20 114.87 1th7 s ILE 65 Ca 0.27 -0.69 -0.08 0.00 -0.26 0.00 0.00 60.65 59.90 1th7 s ILE 65 Cb -0.15 -0.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.93 1th7 s ILE 65 CO 0.11 -0.07 0.08 -0.69 0.24 0.00 0.00 174.94 174.61 1th7 s VAL 66 N -0.71 4.56 -0.20 8.37 1.01 -1.26 -1.37 120.40 130.80 1th7 s VAL 66 Ca -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1th7 s VAL 66 Cb -0.06 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1th7 s VAL 66 CO 0.00 0.36 0.00 -0.63 0.00 0.00 0.00 175.10 174.84 1th7 s ILE 67 N 1.25 3.99 0.01 2.22 1.01 0.50 -4.98 121.20 125.20 1th7 s ILE 67 Ca 0.05 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1th7 s ILE 67 Cb -0.14 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1th7 s ILE 67 CO 0.04 0.43 1.22 -0.60 0.00 0.00 0.00 174.94 176.03 1th7 s ARG 68 N 0.98 4.38 0.50 2.79 3.52 -1.26 -1.26 118.95 128.60 1th7 s ARG 68 Ca 0.02 1.75 0.21 0.00 -0.13 0.00 0.00 55.73 57.58 1th7 s ARG 68 Cb -0.14 -3.46 1.28 0.00 -1.56 0.00 0.00 34.95 31.07 1th7 s ARG 68 CO 0.02 -0.37 2.00 0.78 -0.81 0.00 0.00 175.30 176.92 1th7 h GLY 69 N 7.55 0.18 1.36 8.12 0.00 -1.74 -2.54 103.07 116.00 1th7 h GLY 69 Ca -0.38 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 46.95 1th7 h GLY 69 CO 0.85 0.02 0.27 -0.55 0.00 0.00 0.00 176.54 177.14 1th7 h ASP 70 N 0.12 0.00 -0.01 0.19 5.19 -1.88 -0.62 116.42 119.42 1th7 h ASP 70 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1th7 h ASP 70 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1th7 h ASP 70 CO -0.03 0.00 -0.15 0.59 -3.12 0.00 0.00 179.24 176.53 1th7 n ASN 71 N -3.48 2.40 -4.72 6.45 3.02 -0.96 -4.94 115.26 113.04 1th7 n ASN 71 Ca 0.02 -1.72 -0.41 0.00 -0.03 0.00 0.00 54.58 52.43 1th7 n ASN 71 Cb 0.38 0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.17 4.76 -0.27 2.41 1.01 -0.24 -1.02 120.40 124.88 1th7 s VAL 72 Ca 0.26 2.00 -0.15 0.00 0.00 0.00 0.00 61.98 64.09 1th7 s VAL 72 Cb 0.20 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 1th7 s VAL 72 CO 0.40 0.23 -0.32 -0.38 0.00 0.00 0.00 175.10 175.03 1th7 n ILE 73 N 3.48 1.53 -3.60 2.22 5.41 0.77 -4.91 119.36 124.26 1th7 n ILE 73 Ca 0.04 -0.34 -0.12 0.00 1.00 0.00 0.00 62.75 63.33 1th7 n ILE 73 Cb 0.50 -1.92 -0.05 0.00 -0.71 0.00 0.00 39.64 37.47 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 -7.56 0.15 -0.07 1.39 0.05 -1.15 -5.00 118.68 106.50 1th7 s LEU 74 Ca -0.38 -0.04 0.04 0.00 0.05 0.00 0.00 54.13 53.79 1th7 s LEU 74 Cb 0.14 1.98 0.00 0.00 -2.05 0.00 0.00 46.19 46.26 1th7 s LEU 74 CO 0.49 -0.77 -0.17 -0.63 -0.55 0.00 0.00 176.35 174.72 1th7 s ILE 75 N -3.02 1.49 -0.12 1.48 1.01 -1.26 -1.11 121.20 119.67 1th7 s ILE 75 Ca -0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1th7 s ILE 75 Cb 0.00 -1.31 0.04 0.00 0.01 0.00 0.00 42.46 41.20 1th7 s ILE 75 CO -0.06 0.43 -0.01 -0.55 0.00 0.00 0.00 174.94 174.75 1th7 s SER 76 N 0.33 2.15 0.34 3.58 0.15 -0.06 -4.97 113.70 115.22 1th7 s SER 76 Ca -0.11 -0.36 -0.29 0.00 0.70 0.00 0.00 55.95 55.89 1th7 s SER 76 Cb -0.15 -0.61 -0.11 0.00 -1.71 0.00 0.00 66.02 63.45 1th7 s SER 76 CO 0.04 -0.20 1.38 -2.84 1.20 0.00 0.00 173.24 172.82 1th7 s PRO 77 N 1.85 4.27 0.00 5.44 0.02 -1.26 -0.73 135.00 144.58 1th7 s PRO 77 Ca 0.03 2.34 0.25 0.00 0.02 0.00 0.00 61.00 63.65 1th7 s PRO 77 Cb -0.14 -3.04 0.43 0.00 0.02 0.00 0.00 34.50 31.78 1th7 s PRO 77 CO -0.07 -0.32 1.40 1.28 -0.33 0.00 0.00 177.00 178.96