#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3t s GLN 2 N 0.00 3.22 -0.03 3.17 1.11 -1.26 -1.51 119.66 124.37 1c3t s GLN 2 Ca 0.00 -0.48 0.00 0.00 0.01 0.00 0.00 55.36 54.90 1c3t s GLN 2 Cb 0.00 -2.94 0.03 0.00 -1.01 0.00 0.00 33.01 29.09 1c3t s GLN 2 CO 0.00 0.63 0.02 -0.51 0.01 0.00 0.00 175.29 175.43 1c3t s LEU 3 N -2.14 1.06 0.01 2.90 1.43 -0.32 0.59 118.68 122.21 1c3t s LEU 3 Ca 0.29 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.24 1c3t s LEU 3 Cb -0.12 -0.16 -0.06 0.00 0.03 0.00 0.00 46.19 45.88 1c3t s LEU 3 CO 0.21 -0.12 0.43 -0.36 0.23 0.00 0.00 176.35 176.74 1c3t s PHE 4 N 1.12 3.73 0.02 0.29 0.08 -0.20 -2.12 117.98 120.90 1c3t s PHE 4 Ca -0.08 1.03 0.02 0.00 0.12 0.00 0.00 56.93 58.02 1c3t s PHE 4 Cb -0.13 -2.33 -0.01 0.00 -0.57 0.00 0.00 43.02 39.98 1c3t s PHE 4 CO -0.02 0.62 -0.07 0.08 -0.10 0.00 0.00 175.22 175.73 1c3t s VAL 5 N -1.02 0.51 0.10 -0.44 1.01 -0.78 -2.76 120.40 117.02 1c3t s VAL 5 Ca 0.25 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1c3t s VAL 5 Cb -0.17 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1c3t s VAL 5 CO 0.14 -0.08 -0.13 -1.59 0.00 0.00 0.00 175.10 173.44 1c3t s LYS 6 N -0.73 0.93 0.00 2.72 -2.85 -0.78 0.30 119.74 119.34 1c3t s LYS 6 Ca -0.03 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 53.80 1c3t s LYS 6 Cb -0.05 -0.81 0.00 0.00 -2.06 0.00 0.00 37.83 34.91 1c3t s LYS 6 CO 0.00 0.16 0.00 0.25 0.10 0.00 0.00 175.35 175.86 1c3t n THR 7 N 0.74 0.00 0.84 3.79 -2.24 -1.23 0.14 114.28 116.32 1c3t n THR 7 Ca -0.17 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.64 1c3t n THR 7 Cb 0.56 -0.09 0.12 0.00 -2.10 0.00 0.00 70.33 68.83 1c3t n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1c3t n LEU 8 N 0.00 1.88 -0.01 3.22 4.77 -1.26 -3.32 117.00 122.28 1c3t n LEU 8 Ca 0.00 -0.95 0.01 0.00 -0.03 0.00 0.00 56.01 55.04 1c3t n LEU 8 Cb 0.00 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1c3t n LEU 8 CO 0.00 0.35 0.03 0.35 -1.33 0.00 0.00 177.39 176.80 1c3t n THR 9 N 0.23 0.00 -0.83 -5.08 -2.24 -1.26 -5.00 114.28 100.10 1c3t n THR 9 Ca 0.09 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1c3t n THR 9 Cb 0.37 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1c3t n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c3t n GLY 10 N 0.93 0.57 3.69 3.38 0.00 -1.21 -5.02 105.19 107.53 1c3t n GLY 10 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1c3t n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c3t s LYS 11 N -0.39 4.43 -0.15 1.61 2.20 -1.26 -4.90 119.74 121.28 1c3t s LYS 11 Ca 0.00 1.26 -0.16 0.00 -0.36 0.00 0.00 55.97 56.71 1c3t s LYS 11 Cb 0.00 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1c3t s LYS 11 CO 0.00 -0.21 0.38 0.99 -0.36 0.00 0.00 175.35 176.15 1c3t s THR 12 N 1.66 5.25 0.24 3.43 2.01 -1.26 -3.54 115.64 123.44 1c3t s THR 12 Ca 0.46 0.72 0.09 0.00 0.31 0.00 0.00 61.69 63.27 1c3t s THR 12 Cb -0.18 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1c3t s THR 12 CO 0.19 0.34 0.02 -0.76 -0.69 0.00 0.00 174.62 173.72 1c3t s LEU 13 N 0.67 3.28 -0.16 4.42 1.02 0.15 -4.91 118.68 123.15 1c3t s LEU 13 Ca 0.20 -0.55 -0.02 0.00 0.02 0.00 0.00 54.13 53.79 1c3t s LEU 13 Cb -0.14 -1.83 0.05 0.00 0.02 0.00 0.00 46.19 44.28 1c3t s LEU 13 CO 0.07 0.02 -0.01 -0.89 0.02 0.00 0.00 176.35 175.56 1c3t s THR 14 N -2.17 0.72 0.22 5.49 2.01 -1.26 -1.87 115.64 118.78 1c3t s THR 14 Ca 0.31 -0.44 0.10 0.00 0.31 0.00 0.00 61.69 61.96 1c3t s THR 14 Cb -0.07 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1c3t s THR 14 CO 0.20 0.02 -0.19 0.68 -0.69 0.00 0.00 174.62 174.64 1c3t s VAL 15 N 1.79 2.11 -0.35 3.82 -7.23 -0.90 -4.95 120.40 114.70 1c3t s VAL 15 Ca 0.01 -2.17 -0.05 0.00 -1.81 0.00 0.00 61.98 57.95 1c3t s VAL 15 Cb -0.15 -2.09 0.06 0.00 0.56 0.00 0.00 36.38 34.75 1c3t s VAL 15 CO -0.07 -0.38 0.12 -1.61 -0.31 0.00 0.00 175.10 172.85 1c3t s GLU 16 N -3.22 2.50 0.02 4.82 0.41 -1.26 -1.17 118.70 120.80 1c3t s GLU 16 Ca 0.23 -1.31 0.01 0.00 -0.41 0.00 0.00 54.97 53.48 1c3t s GLU 16 Cb -0.05 -3.46 -0.02 0.00 -1.78 0.00 0.00 34.13 28.83 1c3t s GLU 16 CO 0.10 -0.74 -0.04 -1.17 -0.49 0.00 0.00 175.26 172.92 1c3t s LEU 17 N 1.34 2.18 0.33 1.80 2.96 -0.57 -4.89 118.68 121.83 1c3t s LEU 17 Ca -0.01 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1c3t s LEU 17 Cb -0.20 -0.03 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 1c3t s LEU 17 CO 0.01 -0.18 0.59 -1.61 -1.32 0.00 0.00 176.35 173.84 1c3t s GLU 18 N -1.08 3.58 0.24 1.98 0.41 -1.26 -2.57 118.70 120.00 1c3t s GLU 18 Ca -0.10 -0.06 0.19 0.00 -0.41 0.00 0.00 54.97 54.59 1c3t s GLU 18 Cb -0.07 -2.61 0.92 0.00 -1.78 0.00 0.00 34.13 30.59 1c3t s GLU 18 CO -0.00 0.13 1.57 -0.35 -0.49 0.00 0.00 175.26 176.11 1c3t n PRO 19 N -1.38 0.13 0.03 0.39 -0.04 -1.26 -1.48 135.00 131.38 1c3t n PRO 19 Ca -0.02 0.54 -0.07 0.00 -0.04 0.00 0.00 63.50 63.91 1c3t n PRO 19 Cb 0.55 -1.84 -0.12 0.00 -0.04 0.00 0.00 33.50 32.04 1c3t n PRO 19 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1c3t h SER 20 N 0.00 0.00 -3.89 3.54 4.64 -1.95 -0.50 113.55 115.39 1c3t h SER 20 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1c3t h SER 20 Cb 0.11 0.00 0.20 0.00 -0.31 0.00 0.00 62.40 62.40 1c3t h SER 20 CO 0.00 0.93 -0.04 0.47 -0.87 0.00 0.00 176.83 177.33 1c3t n ASP 21 N -3.16 -0.31 -4.73 4.97 8.00 -0.55 -4.70 116.55 116.07 1c3t n ASP 21 Ca -0.08 0.46 -0.23 0.00 0.71 0.00 0.00 54.79 55.65 1c3t n ASP 21 Cb 0.97 -1.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.63 1c3t n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1c3t s THR 22 N -2.34 3.94 0.26 -3.53 -4.23 -1.26 -1.87 115.64 106.61 1c3t s THR 22 Ca 0.66 -1.64 -0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1c3t s THR 22 Cb -0.25 -3.11 0.32 0.00 1.34 0.00 0.00 72.50 70.79 1c3t s THR 22 CO 0.59 -0.35 1.62 0.58 -0.54 0.00 0.00 174.62 176.52 1c3t h VAL 23 N 1.74 0.26 -0.70 2.29 2.07 -0.40 0.21 116.25 121.70 1c3t h VAL 23 Ca -0.46 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.17 1c3t h VAL 23 Cb 1.24 0.17 -0.13 0.00 -1.52 0.00 0.00 31.29 31.05 1c3t h VAL 23 CO 0.60 0.02 -0.11 -0.08 0.02 0.00 0.00 177.57 178.02 1c3t h GLU 24 N 0.09 0.03 -0.11 1.57 4.81 -1.86 0.82 114.58 119.92 1c3t h GLU 24 Ca 0.46 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1c3t h GLU 24 Cb 0.84 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1c3t h GLU 24 CO -0.73 0.02 -0.01 -0.91 -0.73 0.00 0.00 179.01 176.65 1c3t h ASN 25 N 0.03 -0.07 -0.51 1.04 4.21 -1.00 -2.13 115.58 117.16 1c3t h ASN 25 Ca 0.35 0.03 0.10 0.00 1.21 0.00 0.00 56.30 58.00 1c3t h ASN 25 Cb 0.57 0.05 -0.10 0.00 -1.12 0.00 0.00 38.32 37.73 1c3t h ASN 25 CO -0.69 -0.02 -0.14 0.25 -1.29 0.00 0.00 177.43 175.55 1c3t h LEU 26 N 0.02 -0.50 -0.80 1.61 5.85 -0.47 0.10 115.31 121.12 1c3t h LEU 26 Ca 0.05 0.16 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1c3t h LEU 26 Cb 0.07 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1c3t h LEU 26 CO -0.10 -0.18 0.43 0.11 -0.34 0.00 0.00 178.44 178.36 1c3t h LYS 27 N -0.01 0.69 -0.79 1.25 1.57 -0.76 -0.30 116.57 118.22 1c3t h LYS 27 Ca 0.25 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.10 1c3t h LYS 27 Cb 0.38 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 1c3t h LYS 27 CO -0.53 0.45 0.41 0.00 -0.57 0.00 0.00 179.45 179.21 1c3t h ALA 28 N 1.47 1.14 -0.91 3.86 0.00 -0.17 0.67 119.26 125.31 1c3t h ALA 28 Ca 0.40 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1c3t h ALA 28 Cb 0.42 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1c3t h ALA 28 CO -0.27 -0.04 0.52 0.87 0.00 0.00 0.00 179.25 180.33 1c3t h LYS 29 N 0.64 1.25 0.00 0.00 1.79 -0.42 0.12 116.57 119.95 1c3t h LYS 29 Ca 0.41 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.73 1c3t h LYS 29 Cb 0.49 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1c3t h LYS 29 CO -0.31 0.90 -0.09 0.82 -1.08 0.00 0.00 179.45 179.69 1c3t h ILE 30 N 1.27 0.35 0.02 1.86 2.04 -0.35 -0.99 117.51 121.71 1c3t h ILE 30 Ca 0.32 -0.54 -0.29 0.00 1.00 0.00 0.00 64.86 65.36 1c3t h ILE 30 Cb -0.01 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1c3t h ILE 30 CO -0.06 0.09 -1.61 -0.61 0.00 0.00 0.00 178.15 175.96 1c3t h GLN 31 N 0.00 0.04 0.00 2.37 4.15 0.15 0.34 115.11 122.15 1c3t h GLN 31 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1c3t h GLN 31 Cb 0.39 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1c3t h GLN 31 CO 0.01 0.66 -0.14 -0.40 -1.93 0.00 0.00 178.83 177.03 1c3t n ASP 32 N -3.15 0.32 0.01 -0.69 5.75 0.25 -2.29 116.55 116.75 1c3t n ASP 32 Ca -0.15 0.35 -0.02 0.00 -0.01 0.00 0.00 54.79 54.96 1c3t n ASP 32 Cb 1.03 -0.37 -0.01 0.00 -1.03 0.00 0.00 41.12 40.74 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1c3t n LYS 33 N -1.71 0.11 0.10 0.11 5.02 -0.42 -4.81 118.16 116.55 1c3t n LYS 33 Ca 0.06 0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.49 1c3t n LYS 33 Cb 0.37 -0.57 -0.01 0.00 -0.02 0.00 0.00 35.03 34.79 1c3t n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1c3t h GLU 34 N -0.20 0.00 -2.82 1.97 4.39 -1.40 -3.49 114.58 113.04 1c3t h GLU 34 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1c3t h GLU 34 Cb 0.20 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1c3t h GLU 34 CO 0.00 0.05 -0.24 0.41 -1.16 0.00 0.00 179.01 178.07 1c3t n GLY 35 N 1.21 0.36 3.46 -3.84 0.00 0.11 -4.94 105.19 101.55 1c3t n GLY 35 Ca -0.01 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1c3t n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c3t s ILE 36 N -3.11 3.47 0.55 -0.61 1.01 -0.96 -4.89 121.20 116.66 1c3t s ILE 36 Ca 0.13 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 60.05 1c3t s ILE 36 Cb -0.06 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.89 1c3t s ILE 36 CO 0.24 0.53 1.17 -2.65 0.00 0.00 0.00 174.94 174.23 1c3t n PRO 37 N 3.23 1.35 -0.03 2.79 -0.02 -1.26 -3.85 135.00 137.21 1c3t n PRO 37 Ca -0.18 0.50 -0.09 0.00 -2.02 0.00 0.00 63.50 61.71 1c3t n PRO 37 Cb 0.53 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1c3t n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1c3t h PRO 38 N 1.09 0.09 0.00 0.52 0.11 -1.95 -1.15 132.00 130.72 1c3t h PRO 38 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1c3t h PRO 38 Cb 1.33 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1c3t h PRO 38 CO 0.55 0.06 0.00 -3.47 -0.21 0.00 0.00 178.00 174.93 1c3t n ASP 39 N -5.09 0.00 -1.11 -2.05 -0.08 -1.26 -2.05 116.55 104.91 1c3t n ASP 39 Ca -0.03 -0.22 0.09 0.00 -1.51 0.00 0.00 54.79 53.12 1c3t n ASP 39 Cb 0.08 -0.17 0.26 0.00 2.34 0.00 0.00 41.12 43.64 1c3t n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1c3t n GLN 40 N -1.17 2.91 -4.09 -0.67 6.02 -0.44 -4.66 117.38 115.28 1c3t n GLN 40 Ca 0.11 -2.48 -0.30 0.00 -0.01 0.00 0.00 57.00 54.32 1c3t n GLN 40 Cb 0.11 -1.51 -0.16 0.00 1.02 0.00 0.00 30.24 29.70 1c3t n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1c3t s GLN 41 N -1.16 2.27 -0.44 -1.09 -0.21 -0.87 -4.03 119.66 114.12 1c3t s GLN 41 Ca 0.40 -0.55 -0.08 0.00 0.02 0.00 0.00 55.36 55.15 1c3t s GLN 41 Cb 0.22 -2.06 0.10 0.00 1.00 0.00 0.00 33.01 32.27 1c3t s GLN 41 CO 0.25 -0.21 0.29 0.50 -2.12 0.00 0.00 175.29 174.01 1c3t s ARG 42 N 1.41 2.45 -0.57 2.91 3.52 0.06 -4.94 118.95 123.79 1c3t s ARG 42 Ca 0.03 -1.67 -0.22 0.00 -0.13 0.00 0.00 55.73 53.75 1c3t s ARG 42 Cb -0.13 -3.82 0.06 0.00 -1.56 0.00 0.00 34.95 29.50 1c3t s ARG 42 CO -0.09 -1.09 0.84 -0.51 -0.81 0.00 0.00 175.30 173.63 1c3t s LEU 43 N 1.35 4.55 -0.88 -0.88 1.43 -1.26 -1.37 118.68 121.62 1c3t s LEU 43 Ca 0.05 -0.80 -0.05 0.00 -1.03 0.00 0.00 54.13 52.30 1c3t s LEU 43 Cb -0.25 -2.55 0.22 0.00 0.03 0.00 0.00 46.19 43.64 1c3t s LEU 43 CO -0.00 -1.19 0.79 -0.63 0.23 0.00 0.00 176.35 175.55 1c3t s ILE 44 N 3.50 4.78 -0.21 -0.59 1.01 -0.70 -0.73 121.20 128.24 1c3t s ILE 44 Ca 0.22 -3.42 -0.27 0.00 0.00 0.00 0.00 60.65 57.18 1c3t s ILE 44 Cb -0.17 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 1c3t s ILE 44 CO 0.13 -1.06 0.91 0.12 0.00 0.00 0.00 174.94 175.04 1c3t s PHE 45 N -0.90 3.36 -0.23 3.97 5.36 0.71 -3.50 117.98 126.75 1c3t s PHE 45 Ca 0.25 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 1c3t s PHE 45 Cb -0.11 -3.13 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 1c3t s PHE 45 CO -0.09 -0.38 0.00 0.00 -1.46 0.00 0.00 175.22 173.29 1c3t n ALA 46 N 5.88 -0.03 0.00 11.12 0.00 -1.26 -1.37 120.51 134.85 1c3t n ALA 46 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1c3t n ALA 46 Cb 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1c3t n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c3t n GLY 47 N -0.00 2.64 3.81 0.00 0.00 -1.23 -5.07 105.19 105.33 1c3t n GLY 47 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1c3t n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3t s LYS 48 N -0.63 3.99 -0.13 1.61 1.02 -0.47 -4.96 119.74 120.17 1c3t s LYS 48 Ca 0.00 0.39 -0.21 0.00 0.02 0.00 0.00 55.97 56.17 1c3t s LYS 48 Cb 0.00 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1c3t s LYS 48 CO 0.00 0.59 0.59 -1.14 -0.92 0.00 0.00 175.35 174.47 1c3t s GLN 49 N -0.74 4.32 0.29 1.68 0.74 -1.26 -0.20 119.66 124.49 1c3t s GLN 49 Ca 0.23 0.63 -0.29 0.00 0.05 0.00 0.00 55.36 55.98 1c3t s GLN 49 Cb -0.16 -3.49 -0.10 0.00 1.10 0.00 0.00 33.01 30.36 1c3t s GLN 49 CO 0.12 -0.01 1.23 -0.51 -0.55 0.00 0.00 175.29 175.57 1c3t s LEU 50 N 1.13 4.47 -0.17 3.68 1.43 0.09 -4.99 118.68 124.32 1c3t s LEU 50 Ca 0.30 2.49 -0.12 0.00 -1.03 0.00 0.00 54.13 55.77 1c3t s LEU 50 Cb -0.16 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 1c3t s LEU 50 CO 0.13 -0.39 0.23 -1.61 0.23 0.00 0.00 176.35 174.93 1c3t s GLU 51 N -1.39 4.20 -0.39 1.70 8.01 -1.26 -4.80 118.70 124.77 1c3t s GLU 51 Ca 0.49 -0.02 -0.27 0.00 0.01 0.00 0.00 54.97 55.18 1c3t s GLU 51 Cb -0.36 -3.41 -0.06 0.00 -4.31 0.00 0.00 34.13 25.99 1c3t s GLU 51 CO 0.46 0.28 2.29 -0.51 0.01 0.00 0.00 175.26 177.79 1c3t s ASP 52 N 0.36 4.90 0.00 -0.19 1.01 -1.26 -1.96 116.67 119.53 1c3t s ASP 52 Ca 0.14 1.34 0.00 0.00 0.71 0.00 0.00 52.55 54.73 1c3t s ASP 52 Cb -0.12 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1c3t s ASP 52 CO 0.02 -2.48 0.00 0.61 0.21 0.00 0.00 175.17 173.53 1c3t n GLY 53 N 5.88 0.54 3.93 0.21 0.00 -1.26 -4.86 105.19 109.63 1c3t n GLY 53 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1c3t n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c3t s ARG 54 N 0.00 3.45 0.16 1.61 1.81 -0.83 -4.81 118.95 120.35 1c3t s ARG 54 Ca 0.00 -0.48 -0.14 0.00 -1.72 0.00 0.00 55.73 53.39 1c3t s ARG 54 Cb 0.00 -2.98 -0.07 0.00 -0.45 0.00 0.00 34.95 31.45 1c3t s ARG 54 CO 0.00 0.55 0.56 0.95 -0.68 0.00 0.00 175.30 176.68 1c3t s THR 55 N -1.64 4.85 0.41 0.02 -4.23 -1.26 0.30 115.64 114.09 1c3t s THR 55 Ca 0.35 0.80 0.19 0.00 -1.18 0.00 0.00 61.69 61.85 1c3t s THR 55 Cb -0.12 -3.72 0.40 0.00 1.34 0.00 0.00 72.50 70.39 1c3t s THR 55 CO 0.28 0.20 1.80 -0.07 -0.54 0.00 0.00 174.62 176.29 1c3t h LEU 56 N 3.41 0.41 -0.29 4.79 3.38 -1.36 1.19 115.31 126.84 1c3t h LEU 56 Ca -0.48 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1c3t h LEU 56 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1c3t h LEU 56 CO 0.66 0.11 0.00 -0.24 0.09 0.00 0.00 178.44 179.06 1c3t n SER 57 N -4.56 0.37 -0.11 -0.43 2.88 -0.20 -2.18 113.62 109.40 1c3t n SER 57 Ca 0.23 0.58 0.14 0.00 -1.33 0.00 0.00 58.87 58.48 1c3t n SER 57 Cb 0.83 -0.66 0.54 0.00 -0.75 0.00 0.00 64.21 64.17 1c3t n SER 57 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1c3t n ASP 58 N -1.89 0.50 0.00 -3.46 8.00 0.41 -4.57 116.55 115.54 1c3t n ASP 58 Ca 0.04 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1c3t n ASP 58 Cb 0.24 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1c3t n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1c3t n TYR 59 N -1.03 0.00 0.00 1.24 4.01 -0.93 -4.97 117.16 115.48 1c3t n TYR 59 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1c3t n TYR 59 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1c3t n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1c3t n ASN 60 N -1.31 0.00 -4.65 7.72 6.94 -1.13 -5.14 115.26 117.70 1c3t n ASN 60 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 1c3t n ASN 60 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 1c3t n ASN 60 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1c3t s LEU 61 N 0.00 4.08 0.54 -4.53 2.01 -1.19 -5.05 118.68 114.54 1c3t s LEU 61 Ca 0.00 1.09 0.09 0.00 0.01 0.00 0.00 54.13 55.32 1c3t s LEU 61 Cb 0.00 -3.25 0.07 0.00 0.01 0.00 0.00 46.19 43.02 1c3t s LEU 61 CO 0.00 -0.55 0.74 -1.10 1.01 0.00 0.00 176.35 176.45 1c3t s GLN 62 N 2.92 2.43 -0.07 1.70 -0.21 -1.26 -4.86 119.66 120.31 1c3t s GLN 62 Ca 0.37 -1.54 -0.29 0.00 0.02 0.00 0.00 55.36 53.91 1c3t s GLN 62 Cb -0.15 -2.67 -0.06 0.00 1.00 0.00 0.00 33.01 31.12 1c3t s GLN 62 CO 0.07 -0.72 1.88 0.21 -2.12 0.00 0.00 175.29 174.61 1c3t s LYS 63 N -4.59 3.93 -0.48 2.91 2.20 -1.26 -3.56 119.74 118.89 1c3t s LYS 63 Ca 0.60 2.27 -0.10 0.00 -0.36 0.00 0.00 55.97 58.38 1c3t s LYS 63 Cb -0.07 -4.14 0.01 0.00 -1.51 0.00 0.00 37.83 32.13 1c3t s LYS 63 CO 0.38 -1.18 0.57 0.39 -0.36 0.00 0.00 175.35 175.15 1c3t n GLU 64 N 7.67 -1.85 -2.74 4.03 1.02 0.20 -4.98 120.64 123.99 1c3t n GLU 64 Ca 0.21 1.79 -0.14 0.00 -0.02 0.00 0.00 57.16 58.99 1c3t n GLU 64 Cb 0.43 -5.29 0.00 0.00 -0.02 0.00 0.00 31.44 26.56 1c3t n GLU 64 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1c3t n SER 65 N -0.75 1.91 -4.05 1.62 7.64 -1.23 -4.82 113.62 113.93 1c3t n SER 65 Ca 0.07 -2.05 -0.24 0.00 1.01 0.00 0.00 58.87 57.67 1c3t n SER 65 Cb 0.44 -0.05 -0.16 0.00 -1.01 0.00 0.00 64.21 63.43 1c3t n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1c3t s THR 66 N -1.48 1.12 -0.01 0.44 2.01 -1.26 -1.03 115.64 115.43 1c3t s THR 66 Ca 0.19 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1c3t s THR 66 Cb -0.02 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 1c3t s THR 66 CO 0.12 0.34 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.72 1c3t s ILE 67 N 0.36 0.35 -0.40 1.82 1.09 -1.11 -4.71 121.20 118.60 1c3t s ILE 67 Ca -0.08 -0.17 -0.21 0.00 -1.10 0.00 0.00 60.65 59.08 1c3t s ILE 67 Cb -0.13 -0.31 0.01 0.00 -1.06 0.00 0.00 42.46 40.98 1c3t s ILE 67 CO 0.02 0.11 0.68 -1.00 -0.10 0.00 0.00 174.94 174.66 1c3t s HIS 68 N 0.01 3.09 -0.47 3.97 3.76 -1.25 -1.86 115.29 122.55 1c3t s HIS 68 Ca 0.00 0.24 -0.16 0.00 -0.15 0.00 0.00 55.06 54.99 1c3t s HIS 68 Cb -0.03 -3.32 0.07 0.00 1.11 0.00 0.00 32.58 30.40 1c3t s HIS 68 CO -0.00 -0.77 0.42 -1.17 -0.85 0.00 0.00 174.74 172.37 1c3t s LEU 69 N 2.90 5.48 -0.01 0.89 0.20 0.12 -1.72 118.68 126.54 1c3t s LEU 69 Ca 0.26 -1.23 0.03 0.00 0.69 0.00 0.00 54.13 53.89 1c3t s LEU 69 Cb -0.14 -2.23 -0.03 0.00 -0.43 0.00 0.00 46.19 43.37 1c3t s LEU 69 CO 0.18 -0.67 -0.10 0.68 -0.29 0.00 0.00 176.35 176.15 1c3t s VAL 70 N 1.80 3.42 0.49 1.68 -7.23 -0.47 -4.07 120.40 116.02 1c3t s VAL 70 Ca 0.06 -0.78 -0.23 0.00 -1.81 0.00 0.00 61.98 59.22 1c3t s VAL 70 Cb -0.23 -2.44 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 1c3t s VAL 70 CO 0.08 0.45 1.25 -0.22 -0.31 0.00 0.00 175.10 176.35 1c3t s LEU 71 N -1.20 3.96 -0.18 1.32 0.20 -1.26 -0.76 118.68 120.76 1c3t s LEU 71 Ca 0.15 2.50 -0.36 0.00 0.69 0.00 0.00 54.13 57.11 1c3t s LEU 71 Cb -0.11 -4.24 -0.13 0.00 -0.43 0.00 0.00 46.19 41.28 1c3t s LEU 71 CO 0.05 -1.17 1.87 -1.14 -0.29 0.00 0.00 176.35 175.67 1c3t n ARG 72 N -0.67 1.75 -3.42 1.98 0.63 -1.26 -4.87 116.66 110.80 1c3t n ARG 72 Ca 0.08 0.63 -0.38 0.00 -0.92 0.00 0.00 57.85 57.26 1c3t n ARG 72 Cb 0.47 -2.46 -0.06 0.00 0.45 0.00 0.00 32.46 30.85 1c3t n ARG 72 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1c3t s LEU 73 N 4.25 4.44 0.47 6.15 2.01 -1.26 -5.03 118.68 129.71 1c3t s LEU 73 Ca 0.96 0.98 -0.16 0.00 0.01 0.00 0.00 54.13 55.93 1c3t s LEU 73 Cb -0.83 -2.66 -0.13 0.00 0.01 0.00 0.00 46.19 42.58 1c3t s LEU 73 CO 0.56 0.25 -0.14 0.54 1.01 0.00 0.00 176.35 178.57 1c3t n ARG 74 N 2.18 0.00 0.00 1.70 3.00 -1.26 -4.05 116.66 118.23 1c3t n ARG 74 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.72 1c3t n ARG 74 Cb 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 32.46 32.09 1c3t n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1c3t n GLY 75 N 2.26 2.19 0.00 -0.13 0.00 -1.26 -5.30 105.19 102.95 1c3t n GLY 75 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93