#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 4.55 -0.01 3.17 2.00 -1.26 -0.03 119.66 128.08 1c3t s GLN 2 Ca 0.00 1.91 0.00 0.00 -2.00 0.00 0.00 55.36 55.27 1c3t s GLN 2 Cb 0.00 -3.17 0.01 0.00 0.80 0.00 0.00 33.01 30.65 1c3t s GLN 2 CO 0.00 0.06 -0.00 -0.51 -0.50 0.00 0.00 175.29 174.34 1c3t s LEU 3 N -1.27 1.68 -0.10 3.68 1.43 0.19 -0.58 118.68 123.71 1c3t s LEU 3 Ca 0.47 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.42 1c3t s LEU 3 Cb -0.34 -0.10 -0.05 0.00 0.03 0.00 0.00 46.19 45.74 1c3t s LEU 3 CO 0.43 -0.03 0.34 -0.36 0.23 0.00 0.00 176.35 176.96 1c3t s PHE 4 N 0.36 3.57 -0.28 0.29 0.08 -0.51 -1.46 117.98 120.04 1c3t s PHE 4 Ca -0.03 0.76 -0.00 0.00 0.12 0.00 0.00 56.93 57.78 1c3t s PHE 4 Cb -0.05 -2.31 0.09 0.00 -0.57 0.00 0.00 43.02 40.17 1c3t s PHE 4 CO -0.01 0.42 0.05 0.08 -0.10 0.00 0.00 175.22 175.66 1c3t s VAL 5 N -0.18 1.13 0.21 -0.44 1.01 -0.44 -2.24 120.40 119.44 1c3t s VAL 5 Ca 0.20 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 1c3t s VAL 5 Cb -0.14 -1.72 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 1c3t s VAL 5 CO 0.08 -0.48 0.48 -1.59 0.00 0.00 0.00 175.10 173.59 1c3t s LYS 6 N 1.52 3.67 0.13 2.72 -2.85 -0.72 -0.52 119.74 123.70 1c3t s LYS 6 Ca 0.05 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 1c3t s LYS 6 Cb -0.18 -2.73 0.00 0.00 -2.06 0.00 0.00 37.83 32.87 1c3t s LYS 6 CO -0.17 0.35 0.04 0.25 0.10 0.00 0.00 175.35 175.93 1c3t n THR 7 N -0.30 0.00 0.17 3.79 -2.24 -0.76 0.01 114.28 114.95 1c3t n THR 7 Ca -0.01 -0.59 0.03 0.00 -2.27 0.00 0.00 64.05 61.21 1c3t n THR 7 Cb 0.53 -0.08 0.18 0.00 -2.10 0.00 0.00 70.33 68.86 1c3t n THR 7 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1c3t n LEU 8 N 0.00 3.10 -0.08 3.22 7.94 -1.16 -3.49 117.00 126.53 1c3t n LEU 8 Ca -0.03 -1.57 0.01 0.00 -1.11 0.00 0.00 56.01 53.31 1c3t n LEU 8 Cb 0.16 -0.58 0.01 0.00 0.53 0.00 0.00 43.42 43.54 1c3t n LEU 8 CO 0.09 0.42 0.27 0.35 -1.11 0.00 0.00 177.39 177.41 1c3t n THR 9 N 0.28 0.00 -0.16 1.96 -2.24 -1.26 -4.98 114.28 107.88 1c3t n THR 9 Ca 0.12 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1c3t n THR 9 Cb 0.67 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 0.17 1.25 3.76 3.38 0.00 -1.23 -5.04 105.19 107.49 1c3t n GLY 10 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.50 4.62 -0.18 1.61 2.20 -1.26 -4.91 119.74 121.31 1c3t s LYS 11 Ca 0.00 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.85 1c3t s LYS 11 Cb 0.00 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1c3t s LYS 11 CO 0.00 0.47 -0.18 0.99 -0.36 0.00 0.00 175.35 176.27 1c3t s THR 12 N -0.84 2.20 0.50 3.43 2.01 -1.26 -1.83 115.64 119.85 1c3t s THR 12 Ca 0.38 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.54 1c3t s THR 12 Cb -0.23 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.38 1c3t s THR 12 CO 0.27 0.53 0.70 -0.76 -0.69 0.00 0.00 174.62 174.67 1c3t s LEU 13 N 1.30 3.41 -0.21 4.42 1.43 0.33 -4.90 118.68 124.46 1c3t s LEU 13 Ca 0.05 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1c3t s LEU 13 Cb -0.13 -2.56 0.09 0.00 0.03 0.00 0.00 46.19 43.62 1c3t s LEU 13 CO -0.12 -1.04 0.22 -0.89 0.23 0.00 0.00 176.35 174.75 1c3t s THR 14 N -2.59 -0.31 0.21 5.49 2.01 -1.26 -1.33 115.64 117.86 1c3t s THR 14 Ca 0.57 -0.17 0.11 0.00 0.31 0.00 0.00 61.69 62.51 1c3t s THR 14 Cb -0.09 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1c3t s THR 14 CO 0.36 -0.25 -0.18 0.68 -0.69 0.00 0.00 174.62 174.55 1c3t s VAL 15 N 2.31 2.69 -0.48 3.82 -7.23 -0.53 -4.92 120.40 116.06 1c3t s VAL 15 Ca 0.07 -1.97 -0.17 0.00 -1.81 0.00 0.00 61.98 58.09 1c3t s VAL 15 Cb -0.16 -2.34 0.06 0.00 0.56 0.00 0.00 36.38 34.51 1c3t s VAL 15 CO -0.14 -0.18 0.50 -1.61 -0.31 0.00 0.00 175.10 173.36 1c3t s GLU 16 N -2.92 3.06 0.01 4.82 8.01 -1.26 -0.64 118.70 129.79 1c3t s GLU 16 Ca 0.24 -1.05 0.02 0.00 0.01 0.00 0.00 54.97 54.19 1c3t s GLU 16 Cb -0.08 -4.09 -0.01 0.00 -4.31 0.00 0.00 34.13 25.64 1c3t s GLU 16 CO 0.13 -1.08 -0.06 -1.17 0.01 0.00 0.00 175.26 173.09 1c3t s LEU 17 N 2.15 2.10 0.37 1.80 2.96 0.96 -4.78 118.68 124.24 1c3t s LEU 17 Ca 0.10 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1c3t s LEU 17 Cb -0.21 -0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 1c3t s LEU 17 CO 0.10 -0.03 0.55 -1.61 -1.32 0.00 0.00 176.35 174.04 1c3t s GLU 18 N -0.63 3.18 0.40 1.98 2.02 -1.26 -0.58 118.70 123.80 1c3t s GLU 18 Ca -0.02 -0.67 0.28 0.00 0.02 0.00 0.00 54.97 54.58 1c3t s GLU 18 Cb -0.05 -2.70 1.34 0.00 0.10 0.00 0.00 34.13 32.82 1c3t s GLU 18 CO 0.00 -0.03 1.85 -1.00 0.02 0.00 0.00 175.26 176.10 1c3t h PRO 19 N 0.69 0.00 0.00 0.39 0.13 -1.92 -1.62 132.00 129.67 1c3t h PRO 19 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1c3t h PRO 19 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1c3t h PRO 19 CO 0.57 0.00 -0.48 0.66 -0.23 0.00 0.00 178.00 178.52 1c3t h SER 20 N 0.00 0.00 -3.27 1.44 4.64 -1.94 1.12 113.55 115.55 1c3t h SER 20 Ca 0.00 -0.04 -0.43 0.00 -0.47 0.00 0.00 61.79 60.84 1c3t h SER 20 Cb 0.23 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 62.53 1c3t h SER 20 CO 0.00 0.02 0.02 -1.81 -0.87 0.00 0.00 176.83 174.19 1c3t s ASP 21 N -5.30 0.99 0.26 4.97 1.11 -0.61 -4.69 116.67 113.38 1c3t s ASP 21 Ca 0.05 1.43 0.10 0.00 0.18 0.00 0.00 52.55 54.31 1c3t s ASP 21 Cb 0.09 -2.23 -0.05 0.00 1.07 0.00 0.00 42.92 41.81 1c3t s ASP 21 CO 0.71 -4.18 -0.17 0.42 1.18 0.00 0.00 175.17 173.13 1c3t s THR 22 N -2.51 2.19 0.42 -1.27 -4.23 -1.26 -0.88 115.64 108.09 1c3t s THR 22 Ca 0.68 -2.33 0.19 0.00 -1.18 0.00 0.00 61.69 59.05 1c3t s THR 22 Cb -0.24 -2.23 0.39 0.00 1.34 0.00 0.00 72.50 71.76 1c3t s THR 22 CO 0.64 -0.46 1.82 0.58 -0.54 0.00 0.00 174.62 176.66 1c3t h VAL 23 N 2.36 0.61 -0.61 2.29 2.07 -1.70 0.11 116.25 121.38 1c3t h VAL 23 Ca -0.39 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1c3t h VAL 23 Cb 1.25 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1c3t h VAL 23 CO 0.61 0.07 0.37 -0.33 0.02 0.00 0.00 177.57 178.31 1c3t h GLU 24 N 0.39 0.70 -0.22 1.57 5.08 -1.93 -2.00 114.58 118.16 1c3t h GLU 24 Ca 0.52 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.82 1c3t h GLU 24 Cb 1.35 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1c3t h GLU 24 CO -0.21 0.46 0.07 -0.91 -1.00 0.00 0.00 179.01 177.42 1c3t h ASN 25 N 0.72 0.32 -0.07 1.42 4.21 -1.20 -1.36 115.58 119.61 1c3t h ASN 25 Ca 0.25 -0.20 0.04 0.00 1.21 0.00 0.00 56.30 57.59 1c3t h ASN 25 Cb 0.04 -0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 37.10 1c3t h ASN 25 CO -0.11 0.43 -0.42 0.25 -1.29 0.00 0.00 177.43 176.30 1c3t h LEU 26 N 0.18 -1.29 -1.47 1.61 5.85 -1.07 -0.25 115.31 118.88 1c3t h LEU 26 Ca 0.07 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1c3t h LEU 26 Cb 0.23 0.52 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1c3t h LEU 26 CO -0.00 -0.44 0.39 0.11 -0.34 0.00 0.00 178.44 178.16 1c3t h LYS 27 N -0.52 0.68 -0.87 1.25 1.57 -1.35 -1.35 116.57 115.98 1c3t h LYS 27 Ca 0.06 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1c3t h LYS 27 Cb 0.63 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 1c3t h LYS 27 CO -0.36 0.45 0.57 0.00 -0.57 0.00 0.00 179.45 179.53 1c3t h ALA 28 N 1.65 1.54 -0.18 3.86 0.00 0.10 -0.78 119.26 125.45 1c3t h ALA 28 Ca 0.24 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1c3t h ALA 28 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1c3t h ALA 28 CO -0.06 0.34 -0.52 0.87 0.00 0.00 0.00 179.25 179.88 1c3t h LYS 29 N 0.99 0.68 0.00 0.00 1.79 -0.20 -2.03 116.57 117.80 1c3t h LYS 29 Ca 0.37 -0.48 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1c3t h LYS 29 Cb 0.18 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1c3t h LYS 29 CO -0.13 1.10 -0.08 0.82 -1.08 0.00 0.00 179.45 180.08 1c3t h ILE 30 N 0.37 0.65 0.00 1.86 2.04 -0.89 0.49 117.51 122.03 1c3t h ILE 30 Ca -0.01 -0.35 -0.16 0.00 1.00 0.00 0.00 64.86 65.33 1c3t h ILE 30 Cb 1.14 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1c3t h ILE 30 CO 0.11 0.08 -1.14 -0.61 0.00 0.00 0.00 178.15 176.59 1c3t h GLN 31 N 0.00 0.00 0.00 2.37 4.15 -1.05 1.85 115.11 122.43 1c3t h GLN 31 Ca -0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.19 1c3t h GLN 31 Cb 0.21 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 1c3t h GLN 31 CO 0.01 0.43 -1.45 0.22 -1.93 0.00 0.00 178.83 176.11 1c3t h ASP 32 N 0.00 0.00 0.00 -0.69 1.82 -0.55 -2.90 116.42 114.10 1c3t h ASP 32 Ca -0.11 0.00 -0.46 0.00 -0.39 0.00 0.00 57.03 56.07 1c3t h ASP 32 Cb 1.58 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.52 1c3t h ASP 32 CO 0.06 0.81 -2.52 0.29 -1.61 0.00 0.00 179.24 176.28 1c3t n LYS 33 N -3.03 0.60 -0.09 0.28 4.76 0.16 -4.76 118.16 116.07 1c3t n LYS 33 Ca -0.11 0.26 -0.24 0.00 -2.87 0.00 0.00 58.31 55.35 1c3t n LYS 33 Cb 0.94 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 32.51 1c3t n LYS 33 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1c3t n GLU 34 N -4.17 0.62 0.00 1.97 2.13 0.25 -5.03 120.64 116.42 1c3t n GLU 34 Ca -0.54 0.37 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1c3t n GLU 34 Cb 0.89 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.97 1c3t n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1c3t n GLY 35 N 1.61 1.83 3.74 8.31 0.00 0.60 -4.93 105.19 116.36 1c3t n GLY 35 Ca -0.40 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.00 5.42 0.55 -0.61 -1.09 -0.91 -4.85 121.20 117.70 1c3t s ILE 36 Ca 0.00 0.20 -0.21 0.00 -2.23 0.00 0.00 60.65 58.41 1c3t s ILE 36 Cb 0.00 -3.47 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 1c3t s ILE 36 CO 0.00 0.45 1.24 -2.84 -1.23 0.00 0.00 174.94 172.57 1c3t s PRO 37 N 0.24 3.21 0.14 2.79 0.02 -1.26 -3.53 135.00 136.62 1c3t s PRO 37 Ca 0.09 1.94 -0.14 0.00 0.02 0.00 0.00 61.00 62.90 1c3t s PRO 37 Cb -0.11 -2.15 0.02 0.00 0.02 0.00 0.00 34.50 32.28 1c3t s PRO 37 CO -0.01 -1.04 1.67 -1.35 -0.33 0.00 0.00 177.00 175.93 1c3t h PRO 38 N 1.35 0.72 0.00 5.54 0.11 -1.95 -2.25 132.00 135.51 1c3t h PRO 38 Ca -0.50 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.45 1c3t h PRO 38 Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1c3t h PRO 38 CO 0.57 0.68 0.00 -3.47 -0.21 0.00 0.00 178.00 175.57 1c3t n ASP 39 N -4.54 0.44 -0.88 -2.05 -0.08 -1.26 -1.23 116.55 106.95 1c3t n ASP 39 Ca 0.01 0.66 0.08 0.00 -1.51 0.00 0.00 54.79 54.03 1c3t n ASP 39 Cb 0.19 -0.73 0.26 0.00 2.34 0.00 0.00 41.12 43.17 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 -2.04 2.85 -3.83 -0.67 6.02 -0.86 -4.87 117.38 113.97 1c3t n GLN 40 Ca 0.01 -2.85 -0.34 0.00 -0.01 0.00 0.00 57.00 53.80 1c3t n GLN 40 Cb 0.11 -1.84 -0.12 0.00 1.02 0.00 0.00 30.24 29.41 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 -2.85 2.05 -0.74 -1.09 -0.21 -0.36 -4.24 119.66 112.22 1c3t s GLN 41 Ca 0.42 -2.14 -0.17 0.00 0.02 0.00 0.00 55.36 53.49 1c3t s GLN 41 Cb 0.34 -3.51 0.15 0.00 1.00 0.00 0.00 33.01 30.99 1c3t s GLN 41 CO 0.08 -1.08 0.79 1.03 -2.12 0.00 0.00 175.29 173.99 1c3t s ARG 42 N 0.56 3.35 -0.17 2.91 0.52 -0.90 -4.95 118.95 120.27 1c3t s ARG 42 Ca 0.12 -1.86 -0.20 0.00 -0.52 0.00 0.00 55.73 53.27 1c3t s ARG 42 Cb -0.22 -4.46 -0.03 0.00 0.52 0.00 0.00 34.95 30.76 1c3t s ARG 42 CO -0.04 -1.48 0.60 -0.51 0.02 0.00 0.00 175.30 173.89 1c3t s LEU 43 N 1.68 4.19 -0.75 2.53 1.43 -1.26 -1.41 118.68 125.09 1c3t s LEU 43 Ca 0.17 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1c3t s LEU 43 Cb -0.16 -2.86 0.19 0.00 0.03 0.00 0.00 46.19 43.39 1c3t s LEU 43 CO -0.03 -0.19 0.60 -0.38 0.23 0.00 0.00 176.35 176.58 1c3t n ILE 44 N 4.36 2.08 -2.65 -0.59 2.08 -0.18 -1.73 119.36 122.73 1c3t n ILE 44 Ca -0.03 -4.98 -0.43 0.00 0.56 0.00 0.00 62.75 57.87 1c3t n ILE 44 Cb 0.50 -2.22 -0.02 0.00 -0.75 0.00 0.00 39.64 37.15 1c3t n ILE 44 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 1c3t s PHE 45 N -1.57 3.26 -1.55 1.39 5.36 -0.41 -3.88 117.98 120.59 1c3t s PHE 45 Ca 0.27 1.37 -0.06 0.00 -0.96 0.00 0.00 56.93 57.55 1c3t s PHE 45 Cb -0.03 -3.41 0.06 0.00 -0.34 0.00 0.00 43.02 39.29 1c3t s PHE 45 CO -0.14 -0.60 0.43 0.00 -1.46 0.00 0.00 175.22 173.45 1c3t n ALA 46 N 6.51 -1.76 -2.59 11.12 0.00 -1.26 0.26 120.51 132.79 1c3t n ALA 46 Ca 0.12 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1c3t n ALA 46 Cb 0.46 -1.93 0.01 0.00 0.00 0.00 0.00 19.45 18.00 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 -1.91 -0.14 2.78 0.00 0.00 -1.25 -5.01 105.19 99.67 1c3t n GLY 47 Ca -0.19 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 -5.09 0.86 -0.63 1.61 1.02 0.14 -5.09 119.74 112.56 1c3t s LYS 48 Ca 0.13 -0.48 -0.27 0.00 0.02 0.00 0.00 55.97 55.38 1c3t s LYS 48 Cb -0.06 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1c3t s LYS 48 CO 0.17 -0.59 1.56 -1.14 -0.92 0.00 0.00 175.35 174.42 1c3t s GLN 49 N 1.78 3.01 -0.16 1.68 0.74 -1.26 -1.28 119.66 124.17 1c3t s GLN 49 Ca -0.01 0.34 -0.38 0.00 0.05 0.00 0.00 55.36 55.36 1c3t s GLN 49 Cb -0.17 -4.24 -0.15 0.00 1.10 0.00 0.00 33.01 29.55 1c3t s GLN 49 CO -0.07 -2.30 1.73 1.28 -0.55 0.00 0.00 175.29 175.38 1c3t n LEU 50 N 10.75 2.65 -4.55 3.68 4.77 -0.70 -4.92 117.00 128.67 1c3t n LEU 50 Ca 0.13 1.05 -0.40 0.00 -0.03 0.00 0.00 56.01 56.76 1c3t n LEU 50 Cb 0.50 -1.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.27 1c3t n LEU 50 CO 0.71 -0.38 -0.03 -1.61 -1.33 0.00 0.00 177.39 174.74 1c3t s GLU 51 N 3.23 3.64 -0.18 3.23 0.41 -1.26 -4.79 118.70 122.98 1c3t s GLU 51 Ca 0.94 -0.43 -0.40 0.00 -0.41 0.00 0.00 54.97 54.67 1c3t s GLU 51 Cb -0.93 -3.77 -0.17 0.00 -1.78 0.00 0.00 34.13 27.47 1c3t s GLU 51 CO 0.58 -0.43 1.51 -0.40 -0.49 0.00 0.00 175.26 176.03 1c3t n ASP 52 N 5.26 1.62 0.00 -0.19 5.68 -1.26 -2.08 116.55 125.58 1c3t n ASP 52 Ca -0.11 1.12 0.00 0.00 -0.50 0.00 0.00 54.79 55.30 1c3t n ASP 52 Cb 0.50 -1.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c3t n GLY 53 N 3.32 1.38 3.94 6.12 0.00 -1.26 -5.00 105.19 113.69 1c3t n GLY 53 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 3.27 0.24 1.61 1.81 -0.88 -4.91 118.95 120.09 1c3t s ARG 54 Ca 0.00 -0.31 -0.01 0.00 -1.72 0.00 0.00 55.73 53.68 1c3t s ARG 54 Cb 0.00 -2.55 -0.04 0.00 -0.45 0.00 0.00 34.95 31.90 1c3t s ARG 54 CO 0.00 -0.13 0.44 0.95 -0.68 0.00 0.00 175.30 175.88 1c3t s THR 55 N -2.52 5.16 0.43 0.02 -4.23 -1.26 -1.95 115.64 111.28 1c3t s THR 55 Ca 0.45 -0.30 0.20 0.00 -1.18 0.00 0.00 61.69 60.86 1c3t s THR 55 Cb -0.10 -3.75 0.22 0.00 1.34 0.00 0.00 72.50 70.21 1c3t s THR 55 CO 0.39 -0.25 2.01 -0.07 -0.54 0.00 0.00 174.62 176.15 1c3t h LEU 56 N 1.76 0.00 -1.42 4.79 3.38 -0.97 -2.03 115.31 120.83 1c3t h LEU 56 Ca -0.48 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1c3t h LEU 56 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1c3t h LEU 56 CO 0.67 0.18 -0.29 -1.28 0.09 0.00 0.00 178.44 177.80 1c3t h SER 57 N 0.00 0.00 0.98 -0.43 0.87 0.11 -1.68 113.55 113.39 1c3t h SER 57 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1c3t h SER 57 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1c3t h SER 57 CO 0.02 0.29 0.00 0.44 -0.53 0.00 0.00 176.83 177.05 1c3t h ASP 58 N 0.00 0.00 -0.80 6.23 3.32 -1.60 -2.75 116.42 120.81 1c3t h ASP 58 Ca -0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1c3t h ASP 58 Cb 0.51 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.82 1c3t h ASP 58 CO 0.04 0.00 0.42 -1.22 -1.72 0.00 0.00 179.24 176.76 1c3t n TYR 59 N -2.60 2.48 -3.05 4.55 4.01 -0.66 -4.90 117.16 116.98 1c3t n TYR 59 Ca 0.02 -1.72 -0.13 0.00 -0.16 0.00 0.00 57.90 55.91 1c3t n TYR 59 Cb 0.29 -0.80 -0.02 0.00 -0.31 0.00 0.00 39.34 38.50 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 -1.04 -1.68 -4.72 7.72 0.23 -1.04 -4.80 115.26 109.93 1c3t n ASN 60 Ca 0.51 -0.01 -0.42 0.00 -0.53 0.00 0.00 54.58 54.13 1c3t n ASN 60 Cb 1.48 -1.52 -0.03 0.00 -2.08 0.00 0.00 39.78 37.63 1c3t n ASN 60 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1c3t s LEU 61 N -5.71 4.37 0.00 -4.53 2.01 -1.05 -5.00 118.68 108.77 1c3t s LEU 61 Ca 0.23 2.86 0.02 0.00 0.01 0.00 0.00 54.13 57.25 1c3t s LEU 61 Cb -0.13 -3.60 0.02 0.00 0.01 0.00 0.00 46.19 42.48 1c3t s LEU 61 CO 0.29 -0.97 0.13 0.00 1.01 0.00 0.00 176.35 176.80 1c3t n GLN 62 N 3.98 1.04 -3.19 1.70 6.02 -1.26 -4.87 117.38 120.80 1c3t n GLN 62 Ca 0.16 -0.59 -0.39 0.00 -0.01 0.00 0.00 57.00 56.17 1c3t n GLN 62 Cb 0.35 -0.01 -0.05 0.00 1.02 0.00 0.00 30.24 31.54 1c3t n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1c3t s LYS 63 N -2.47 4.39 -1.01 -1.09 2.20 -1.26 -3.85 119.74 116.65 1c3t s LYS 63 Ca 0.10 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 1c3t s LYS 63 Cb -0.01 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1c3t s LYS 63 CO 0.06 0.12 0.00 0.39 -0.36 0.00 0.00 175.35 175.56 1c3t n GLU 64 N 3.70 -0.87 -1.14 4.03 1.02 0.26 -4.99 120.64 122.65 1c3t n GLU 64 Ca -0.04 0.62 -0.32 0.00 -0.02 0.00 0.00 57.16 57.39 1c3t n GLU 64 Cb 0.51 -4.71 0.12 0.00 -0.02 0.00 0.00 31.44 27.34 1c3t n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1c3t s SER 65 N -2.57 3.89 -0.40 1.62 0.01 -1.25 -4.52 113.70 110.48 1c3t s SER 65 Ca 0.00 2.10 -0.04 0.00 1.31 0.00 0.00 55.95 59.32 1c3t s SER 65 Cb 0.00 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.77 1c3t s SER 65 CO 0.00 -2.45 0.20 -0.89 0.41 0.00 0.00 173.24 170.51 1c3t s THR 66 N -2.54 3.49 -0.13 1.44 2.01 -1.26 -1.42 115.64 117.23 1c3t s THR 66 Ca 0.67 -1.83 -0.12 0.00 0.31 0.00 0.00 61.69 60.72 1c3t s THR 66 Cb -0.22 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1c3t s THR 66 CO 0.53 -0.59 0.25 -0.63 -0.69 0.00 0.00 174.62 173.48 1c3t s ILE 67 N 1.22 5.33 -0.35 1.82 1.01 -0.95 -4.81 121.20 124.47 1c3t s ILE 67 Ca 0.05 0.45 -0.21 0.00 0.00 0.00 0.00 60.65 60.95 1c3t s ILE 67 Cb -0.23 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1c3t s ILE 67 CO -0.02 0.49 0.66 -1.00 0.00 0.00 0.00 174.94 175.07 1c3t s HIS 68 N -0.23 3.15 -0.23 3.97 3.76 -1.26 -1.76 115.29 122.70 1c3t s HIS 68 Ca 0.16 0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 55.41 1c3t s HIS 68 Cb -0.13 -3.17 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 1c3t s HIS 68 CO 0.05 -0.63 0.09 -1.17 -0.85 0.00 0.00 174.74 172.23 1c3t s LEU 69 N 2.77 3.70 -0.09 0.89 0.20 0.10 -1.01 118.68 125.24 1c3t s LEU 69 Ca 0.26 -0.05 0.02 0.00 0.69 0.00 0.00 54.13 55.05 1c3t s LEU 69 Cb -0.14 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 1c3t s LEU 69 CO 0.15 0.05 -0.14 0.68 -0.29 0.00 0.00 176.35 176.79 1c3t s VAL 70 N 1.13 2.99 -1.40 1.68 -7.23 -0.50 -2.97 120.40 114.10 1c3t s VAL 70 Ca 0.05 -0.72 -0.08 0.00 -1.81 0.00 0.00 61.98 59.42 1c3t s VAL 70 Cb -0.14 -2.20 0.07 0.00 0.56 0.00 0.00 36.38 34.67 1c3t s VAL 70 CO 0.04 0.56 2.42 -0.11 -0.31 0.00 0.00 175.10 177.70 1c3t n LEU 71 N 2.91 7.88 -3.74 1.32 -0.00 -1.26 -2.12 117.00 121.99 1c3t n LEU 71 Ca -0.18 -4.66 -0.26 0.00 -0.00 0.00 0.00 56.01 50.91 1c3t n LEU 71 Cb 0.52 -1.45 0.01 0.00 -0.00 0.00 0.00 43.42 42.50 1c3t n LEU 71 CO 0.28 1.87 -0.14 -2.11 -0.00 0.00 0.00 177.39 177.29 1c3t n ARG 72 N 2.89 -0.71 -3.73 1.96 -4.01 -1.26 -4.92 116.66 106.89 1c3t n ARG 72 Ca 0.61 0.13 -0.30 0.00 -1.04 0.00 0.00 57.85 57.25 1c3t n ARG 72 Cb 0.27 -1.41 -0.15 0.00 -3.04 0.00 0.00 32.46 28.13 1c3t n ARG 72 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 1c3t s LEU 73 N -5.61 2.11 0.01 2.89 1.98 -1.26 -5.11 118.68 113.68 1c3t s LEU 73 Ca 0.20 -1.55 0.00 0.00 -2.89 0.00 0.00 54.13 49.90 1c3t s LEU 73 Cb -0.11 -0.83 -0.01 0.00 0.66 0.00 0.00 46.19 45.89 1c3t s LEU 73 CO 0.64 -0.40 -0.02 -0.60 -1.89 0.00 0.00 176.35 174.08 1c3t s ARG 74 N 1.65 0.19 0.00 1.98 3.52 -1.26 -5.02 118.95 120.00 1c3t s ARG 74 Ca 0.08 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1c3t s ARG 74 Cb -0.17 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 1c3t s ARG 74 CO -0.24 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 1c3t n GLY 75 N 2.33 -1.83 0.00 8.12 0.00 -1.26 -5.28 105.19 107.26 1c3t n GLY 75 Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93