#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 3.49 0.01 3.17 2.00 -1.26 -0.74 119.66 126.32 1c3t s GLN 2 Ca 0.00 -0.15 0.04 0.00 -2.00 0.00 0.00 55.36 53.25 1c3t s GLN 2 Cb 0.00 -3.14 -0.01 0.00 0.80 0.00 0.00 33.01 30.65 1c3t s GLN 2 CO 0.00 0.72 -0.13 -0.51 -0.50 0.00 0.00 175.29 174.87 1c3t s LEU 3 N -1.45 2.08 -0.11 3.68 1.43 -0.13 -0.89 118.68 123.30 1c3t s LEU 3 Ca 0.21 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1c3t s LEU 3 Cb -0.13 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 1c3t s LEU 3 CO 0.11 0.10 -0.02 -0.36 0.23 0.00 0.00 176.35 176.42 1c3t s PHE 4 N -0.51 3.09 -0.10 0.29 0.08 0.36 -1.25 117.98 119.94 1c3t s PHE 4 Ca 0.03 0.02 -0.00 0.00 0.12 0.00 0.00 56.93 57.10 1c3t s PHE 4 Cb -0.06 -1.84 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 1c3t s PHE 4 CO 0.00 0.29 -0.07 0.08 -0.10 0.00 0.00 175.22 175.42 1c3t s VAL 5 N -0.44 0.94 0.14 -0.44 1.01 -0.72 -1.67 120.40 119.22 1c3t s VAL 5 Ca 0.08 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1c3t s VAL 5 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1c3t s VAL 5 CO 0.02 0.35 0.08 -1.59 0.00 0.00 0.00 175.10 173.96 1c3t s LYS 6 N 1.63 2.76 0.27 2.72 -2.85 -0.62 -0.05 119.74 123.60 1c3t s LYS 6 Ca 0.03 -0.86 0.03 0.00 -1.00 0.00 0.00 55.97 54.17 1c3t s LYS 6 Cb -0.13 -2.60 0.03 0.00 -2.06 0.00 0.00 37.83 33.07 1c3t s LYS 6 CO -0.07 0.51 0.28 0.25 0.10 0.00 0.00 175.35 176.42 1c3t n THR 7 N 0.00 0.00 1.70 3.79 -2.24 -1.00 -1.07 114.28 115.46 1c3t n THR 7 Ca -0.09 -0.99 0.14 0.00 -2.27 0.00 0.00 64.05 60.85 1c3t n THR 7 Cb 0.54 -0.50 0.82 0.00 -2.10 0.00 0.00 70.33 69.08 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 0.00 -0.03 3.22 4.77 -1.25 -2.82 117.00 120.89 1c3t n LEU 8 Ca 0.03 0.06 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 1c3t n LEU 8 Cb 0.29 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1c3t n LEU 8 CO 0.18 -0.01 0.02 0.35 -1.33 0.00 0.00 177.39 176.61 1c3t n THR 9 N -1.06 0.00 0.00 -5.08 -2.24 -1.26 -4.99 114.28 99.65 1c3t n THR 9 Ca 0.20 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1c3t n THR 9 Cb 0.13 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.08 0.45 3.55 3.38 0.00 -1.13 -5.03 105.19 107.50 1c3t n GLY 10 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.74 2.31 0.19 1.61 2.20 -1.26 -4.66 119.74 119.39 1c3t s LYS 11 Ca 0.00 0.75 -0.09 0.00 -0.36 0.00 0.00 55.97 56.27 1c3t s LYS 11 Cb 0.00 -4.60 -0.07 0.00 -1.51 0.00 0.00 37.83 31.66 1c3t s LYS 11 CO 0.00 -3.22 0.51 0.99 -0.36 0.00 0.00 175.35 173.27 1c3t s THR 12 N 10.99 4.98 0.18 3.43 2.01 -1.26 -2.37 115.64 133.60 1c3t s THR 12 Ca 0.81 0.43 0.04 0.00 0.31 0.00 0.00 61.69 63.28 1c3t s THR 12 Cb -0.13 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1c3t s THR 12 CO 0.18 0.01 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.31 1c3t s LEU 13 N -2.62 2.37 -0.23 4.42 1.43 0.92 -4.95 118.68 120.02 1c3t s LEU 13 Ca 0.44 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1c3t s LEU 13 Cb -0.12 -0.30 0.06 0.00 0.03 0.00 0.00 46.19 45.86 1c3t s LEU 13 CO 0.21 -0.42 -0.05 -0.89 0.23 0.00 0.00 176.35 175.44 1c3t s THR 14 N -3.38 1.47 0.45 5.49 2.01 -1.26 -1.76 115.64 118.66 1c3t s THR 14 Ca 0.22 -1.17 0.06 0.00 0.31 0.00 0.00 61.69 61.11 1c3t s THR 14 Cb 0.04 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1c3t s THR 14 CO 0.04 -0.10 0.17 0.68 -0.69 0.00 0.00 174.62 174.72 1c3t s VAL 15 N 1.43 1.94 -0.13 3.82 -7.23 -0.38 -4.96 120.40 114.89 1c3t s VAL 15 Ca -0.05 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1c3t s VAL 15 Cb -0.19 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 34.09 1c3t s VAL 15 CO -0.06 0.00 -0.14 -1.83 -0.31 0.00 0.00 175.10 172.76 1c3t s GLU 16 N -3.94 2.16 0.35 4.82 4.04 -1.26 -0.95 118.70 123.91 1c3t s GLU 16 Ca 0.32 -0.52 -0.03 0.00 0.04 0.00 0.00 54.97 54.79 1c3t s GLU 16 Cb 0.03 -1.96 0.01 0.00 0.02 0.00 0.00 34.13 32.23 1c3t s GLU 16 CO 0.18 -0.18 0.50 -0.51 -1.84 0.00 0.00 175.26 173.41 1c3t s LEU 17 N 1.35 0.95 0.22 1.83 1.43 0.08 -4.94 118.68 119.59 1c3t s LEU 17 Ca 0.01 -1.47 0.09 0.00 -1.03 0.00 0.00 54.13 51.73 1c3t s LEU 17 Cb -0.13 1.58 -0.04 0.00 0.03 0.00 0.00 46.19 47.62 1c3t s LEU 17 CO -0.07 -1.34 -0.06 -1.61 0.23 0.00 0.00 176.35 173.50 1c3t s GLU 18 N -2.97 2.15 0.60 1.70 0.41 -1.26 0.63 118.70 119.96 1c3t s GLU 18 Ca 0.29 -1.34 0.37 0.00 -0.41 0.00 0.00 54.97 53.89 1c3t s GLU 18 Cb -0.01 -2.15 1.85 0.00 -1.78 0.00 0.00 34.13 32.04 1c3t s GLU 18 CO 0.20 0.40 2.17 -1.00 -0.49 0.00 0.00 175.26 176.55 1c3t h PRO 19 N 2.47 0.00 0.00 0.39 0.13 -1.96 -1.47 132.00 131.56 1c3t h PRO 19 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1c3t h PRO 19 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1c3t h PRO 19 CO 0.57 0.02 -0.49 0.66 -0.23 0.00 0.00 178.00 178.53 1c3t h SER 20 N 0.00 0.00 -3.19 1.44 4.64 -1.95 0.19 113.55 114.68 1c3t h SER 20 Ca -0.00 -0.06 -0.50 0.00 -0.47 0.00 0.00 61.79 60.76 1c3t h SER 20 Cb 0.25 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 62.56 1c3t h SER 20 CO 0.00 0.03 -0.59 0.47 -0.87 0.00 0.00 176.83 175.88 1c3t n ASP 21 N -2.57 -1.87 -4.72 4.97 9.92 -0.55 -4.65 116.55 117.07 1c3t n ASP 21 Ca 0.03 0.18 -0.25 0.00 -0.53 0.00 0.00 54.79 54.22 1c3t n ASP 21 Cb 0.50 -1.17 -0.06 0.00 -0.64 0.00 0.00 41.12 39.74 1c3t n ASP 21 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1c3t s THR 22 N -2.38 3.96 0.43 -3.53 -4.23 -1.26 -1.69 115.64 106.95 1c3t s THR 22 Ca 0.59 -1.46 0.20 0.00 -1.18 0.00 0.00 61.69 59.84 1c3t s THR 22 Cb -0.19 -3.06 0.40 0.00 1.34 0.00 0.00 72.50 70.99 1c3t s THR 22 CO 0.66 -0.22 1.84 0.58 -0.54 0.00 0.00 174.62 176.94 1c3t h VAL 23 N 2.06 0.62 -0.50 2.29 2.07 -1.63 0.13 116.25 121.29 1c3t h VAL 23 Ca -0.47 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1c3t h VAL 23 Cb 1.22 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1c3t h VAL 23 CO 0.60 0.06 0.24 -0.08 0.02 0.00 0.00 177.57 178.41 1c3t h GLU 24 N 0.34 0.73 -0.18 1.57 4.81 -1.91 -1.26 114.58 118.68 1c3t h GLU 24 Ca 0.49 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1c3t h GLU 24 Cb 1.34 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1c3t h GLU 24 CO -0.18 0.61 0.07 -0.91 -0.73 0.00 0.00 179.01 177.87 1c3t h ASN 25 N 0.67 0.08 0.27 1.04 4.21 -1.15 0.86 115.58 121.57 1c3t h ASN 25 Ca 0.17 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1c3t h ASN 25 Cb 0.12 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 1c3t h ASN 25 CO -0.02 0.08 -0.25 0.25 -1.29 0.00 0.00 177.43 176.19 1c3t h LEU 26 N 0.16 -0.66 -0.80 1.61 5.85 -1.25 -2.16 115.31 118.05 1c3t h LEU 26 Ca 0.08 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1c3t h LEU 26 Cb 0.04 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 1c3t h LEU 26 CO -0.07 -0.37 0.43 0.11 -0.34 0.00 0.00 178.44 178.20 1c3t h LYS 27 N -0.55 0.67 -0.78 1.25 1.57 -1.04 -0.43 116.57 117.26 1c3t h LYS 27 Ca -0.01 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1c3t h LYS 27 Cb 0.50 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.57 1c3t h LYS 27 CO -0.04 0.44 0.38 0.00 -0.57 0.00 0.00 179.45 179.66 1c3t h ALA 28 N 1.48 1.13 -0.57 3.86 0.00 -0.30 0.32 119.26 125.19 1c3t h ALA 28 Ca 0.41 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1c3t h ALA 28 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1c3t h ALA 28 CO -0.29 -0.11 0.34 0.87 0.00 0.00 0.00 179.25 180.07 1c3t h LYS 29 N 0.57 0.77 0.00 0.00 1.79 -0.48 -0.74 116.57 118.48 1c3t h LYS 29 Ca 0.42 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 1c3t h LYS 29 Cb 0.56 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1c3t h LYS 29 CO -0.35 0.55 0.00 0.82 -1.08 0.00 0.00 179.45 179.40 1c3t h ILE 30 N 0.77 0.00 0.00 1.86 2.04 -0.60 -2.02 117.51 119.56 1c3t h ILE 30 Ca 0.20 -0.29 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 1c3t h ILE 30 Cb -0.02 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1c3t h ILE 30 CO -0.04 0.00 -1.18 -0.61 0.00 0.00 0.00 178.15 176.32 1c3t h GLN 31 N 0.00 0.00 0.00 2.37 4.15 0.36 -0.30 115.11 121.69 1c3t h GLN 31 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1c3t h GLN 31 Cb 0.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1c3t h GLN 31 CO 0.00 0.27 -0.68 -0.25 -1.93 0.00 0.00 178.83 176.25 1c3t n ASP 32 N -2.92 0.62 -0.02 -0.69 8.00 -0.50 -2.48 116.55 118.56 1c3t n ASP 32 Ca -0.06 -0.05 -0.07 0.00 0.71 0.00 0.00 54.79 55.32 1c3t n ASP 32 Cb 0.77 0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 42.17 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1c3t n LYS 33 N -1.91 0.20 0.00 -1.24 5.02 -0.82 -4.70 118.16 114.71 1c3t n LYS 33 Ca 0.04 0.08 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1c3t n LYS 33 Cb 0.41 -0.84 0.36 0.00 -0.02 0.00 0.00 35.03 34.94 1c3t n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1c3t n GLU 34 N -3.65 1.11 -1.88 1.97 1.02 -0.19 -4.93 120.64 114.10 1c3t n GLU 34 Ca -0.12 -0.69 -0.19 0.00 -0.02 0.00 0.00 57.16 56.14 1c3t n GLU 34 Cb 0.41 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 1c3t n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c3t n GLY 35 N 1.31 0.91 3.67 0.62 0.00 -0.83 -4.92 105.19 105.95 1c3t n GLY 35 Ca 0.13 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.79 5.20 0.28 -0.61 1.01 -0.96 -4.89 121.20 118.43 1c3t s ILE 36 Ca 0.00 0.69 -0.29 0.00 0.00 0.00 0.00 60.65 61.05 1c3t s ILE 36 Cb 0.00 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 1c3t s ILE 36 CO 0.00 0.25 0.97 -2.16 0.00 0.00 0.00 174.94 174.00 1c3t s PRO 37 N 1.35 4.72 0.66 2.79 0.04 -1.26 -3.08 135.00 140.22 1c3t s PRO 37 Ca 0.18 1.51 0.38 0.00 0.04 0.00 0.00 61.00 63.11 1c3t s PRO 37 Cb -0.15 -3.11 2.09 0.00 0.04 0.00 0.00 34.50 33.38 1c3t s PRO 37 CO 0.08 0.37 2.20 -1.35 0.04 0.00 0.00 177.00 178.35 1c3t h PRO 38 N 3.77 0.00 -0.07 0.56 0.11 -1.91 -0.09 132.00 134.36 1c3t h PRO 38 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1c3t h PRO 38 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1c3t h PRO 38 CO 0.67 0.00 -0.62 0.38 -0.21 0.00 0.00 178.00 178.22 1c3t h ASP 39 N 0.00 0.29 -0.10 -2.05 3.04 -2.00 -3.13 116.42 112.47 1c3t h ASP 39 Ca 0.01 -0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 1c3t h ASP 39 Cb 0.26 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 1c3t h ASP 39 CO -0.00 0.83 0.00 0.00 -2.04 0.00 0.00 179.24 178.03 1c3t n GLN 40 N -3.87 1.62 -3.27 4.15 6.02 -0.21 -4.84 117.38 116.99 1c3t n GLN 40 Ca -0.02 -1.66 -0.38 0.00 -0.01 0.00 0.00 57.00 54.92 1c3t n GLN 40 Cb 0.63 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.39 4.28 -0.36 -1.09 -0.21 -0.25 -2.01 119.66 118.63 1c3t s GLN 41 Ca 0.23 0.62 0.01 0.00 0.02 0.00 0.00 55.36 56.23 1c3t s GLN 41 Cb 0.15 -3.36 0.11 0.00 1.00 0.00 0.00 33.01 30.91 1c3t s GLN 41 CO 0.22 0.33 0.14 0.50 -2.12 0.00 0.00 175.29 174.36 1c3t s ARG 42 N -0.02 1.06 0.04 2.91 3.52 0.81 -4.77 118.95 122.50 1c3t s ARG 42 Ca 0.29 -1.55 -0.19 0.00 -0.13 0.00 0.00 55.73 54.15 1c3t s ARG 42 Cb -0.17 -2.34 -0.06 0.00 -1.56 0.00 0.00 34.95 30.81 1c3t s ARG 42 CO 0.15 -1.04 0.55 -0.51 -0.81 0.00 0.00 175.30 173.64 1c3t s LEU 43 N 1.04 4.49 -0.03 -0.88 1.43 -1.26 0.22 118.68 123.69 1c3t s LEU 43 Ca 0.13 1.19 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1c3t s LEU 43 Cb -0.20 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.19 1c3t s LEU 43 CO -0.13 0.24 0.01 -0.63 0.23 0.00 0.00 176.35 176.07 1c3t s ILE 44 N -0.88 0.15 -0.27 -0.59 1.01 -0.56 -1.73 121.20 118.33 1c3t s ILE 44 Ca 0.29 0.13 -0.00 0.00 0.00 0.00 0.00 60.65 61.07 1c3t s ILE 44 Cb -0.19 -0.27 0.04 0.00 0.01 0.00 0.00 42.46 42.06 1c3t s ILE 44 CO 0.18 0.16 -0.06 0.12 0.00 0.00 0.00 174.94 175.33 1c3t s PHE 45 N 1.23 3.18 -1.54 3.97 5.36 -0.67 -2.21 117.98 127.31 1c3t s PHE 45 Ca -0.07 -1.91 -0.08 0.00 -0.96 0.00 0.00 56.93 53.92 1c3t s PHE 45 Cb -0.13 -2.03 0.07 0.00 -0.34 0.00 0.00 43.02 40.58 1c3t s PHE 45 CO -0.02 -0.81 0.54 0.00 -1.46 0.00 0.00 175.22 173.47 1c3t n ALA 46 N 4.58 -1.69 -1.66 11.12 0.00 -1.26 0.09 120.51 131.68 1c3t n ALA 46 Ca -0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 1c3t n ALA 46 Cb 0.44 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.79 0.43 2.91 0.00 0.00 -1.26 -5.01 105.19 100.48 1c3t n GLY 47 Ca -0.15 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1c3t n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c3t s LYS 48 N -3.40 1.58 0.02 1.61 2.20 0.11 -5.08 119.74 116.78 1c3t s LYS 48 Ca 0.00 -2.14 -0.30 0.00 -0.36 0.00 0.00 55.97 53.17 1c3t s LYS 48 Cb 0.00 -2.99 -0.08 0.00 -1.51 0.00 0.00 37.83 33.24 1c3t s LYS 48 CO 0.00 -1.05 1.90 -1.14 -0.36 0.00 0.00 175.35 174.70 1c3t s GLN 49 N 0.38 4.14 0.57 4.03 0.74 -1.26 -1.67 119.66 126.59 1c3t s GLN 49 Ca 0.14 2.52 -0.18 0.00 0.05 0.00 0.00 55.36 57.89 1c3t s GLN 49 Cb -0.23 -4.13 -0.04 0.00 1.10 0.00 0.00 33.01 29.71 1c3t s GLN 49 CO -0.05 -0.94 1.10 -0.51 -0.55 0.00 0.00 175.29 174.34 1c3t s LEU 50 N 4.40 3.62 -0.12 3.68 1.43 -0.70 -4.98 118.68 126.00 1c3t s LEU 50 Ca 0.85 2.02 0.01 0.00 -1.03 0.00 0.00 54.13 55.99 1c3t s LEU 50 Cb -0.41 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.27 1c3t s LEU 50 CO 0.39 -1.25 -0.13 -1.61 0.23 0.00 0.00 176.35 173.98 1c3t s GLU 51 N -3.63 2.10 -0.34 1.70 2.02 -1.26 -4.82 118.70 114.46 1c3t s GLU 51 Ca 0.69 -0.50 -0.37 0.00 0.02 0.00 0.00 54.97 54.81 1c3t s GLU 51 Cb -0.20 -1.89 -0.13 0.00 0.10 0.00 0.00 34.13 32.01 1c3t s GLU 51 CO 0.31 -0.16 2.13 -3.47 0.02 0.00 0.00 175.26 174.09 1c3t n ASP 52 N 4.53 2.08 0.00 -0.19 2.03 -1.26 -1.75 116.55 121.99 1c3t n ASP 52 Ca -0.17 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1c3t n ASP 52 Cb 0.51 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c3t n GLY 53 N 6.32 1.30 3.96 0.27 0.00 -1.26 -4.99 105.19 110.78 1c3t n GLY 53 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 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 2.87 -0.07 1.61 1.81 -0.72 -4.91 118.95 119.55 1c3t s ARG 54 Ca 0.00 -0.54 -0.01 0.00 -1.72 0.00 0.00 55.73 53.45 1c3t s ARG 54 Cb 0.00 -2.51 -0.03 0.00 -0.45 0.00 0.00 34.95 31.96 1c3t s ARG 54 CO 0.00 -0.46 0.02 0.95 -0.68 0.00 0.00 175.30 175.13 1c3t s THR 55 N -2.66 4.39 0.37 0.02 -4.23 -1.26 -1.70 115.64 110.57 1c3t s THR 55 Ca 0.52 -0.30 0.19 0.00 -1.18 0.00 0.00 61.69 60.92 1c3t s THR 55 Cb -0.10 -2.88 0.38 0.00 1.34 0.00 0.00 72.50 71.23 1c3t s THR 55 CO 0.39 0.54 1.68 -0.07 -0.54 0.00 0.00 174.62 176.62 1c3t h LEU 56 N 4.91 0.45 -1.46 4.79 3.38 -1.33 1.13 115.31 127.17 1c3t h LEU 56 Ca -0.51 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1c3t h LEU 56 Cb 1.19 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1c3t h LEU 56 CO 0.56 -0.10 0.03 -1.28 0.09 0.00 0.00 178.44 177.74 1c3t h SER 57 N 0.29 0.35 -0.02 -0.43 0.87 -0.88 -1.57 113.55 112.16 1c3t h SER 57 Ca 0.72 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 61.25 1c3t h SER 57 Cb 1.84 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1c3t h SER 57 CO -0.50 0.39 0.08 0.44 -0.53 0.00 0.00 176.83 176.71 1c3t h ASP 58 N 0.38 0.00 -0.68 6.23 3.32 0.11 0.11 116.42 125.88 1c3t h ASP 58 Ca 0.09 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.91 1c3t h ASP 58 Cb 0.21 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.62 1c3t h ASP 58 CO 0.00 0.00 0.25 -1.22 -1.72 0.00 0.00 179.24 176.56 1c3t n TYR 59 N -3.26 2.23 -4.05 4.55 4.01 -0.59 -4.94 117.16 115.11 1c3t n TYR 59 Ca -0.02 -1.30 -0.32 0.00 -0.16 0.00 0.00 57.90 56.10 1c3t n TYR 59 Cb 0.15 -0.66 -0.05 0.00 -0.31 0.00 0.00 39.34 38.47 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 -0.43 -0.76 -4.91 7.72 0.23 0.39 -4.90 115.26 112.60 1c3t n ASN 60 Ca 0.41 -1.10 -0.28 0.00 -0.53 0.00 0.00 54.58 53.07 1c3t n ASN 60 Cb 1.34 -1.35 0.08 0.00 -2.08 0.00 0.00 39.78 37.76 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 -6.90 2.67 0.00 -4.53 1.43 -1.23 -5.08 118.68 105.04 1c3t s LEU 61 Ca 0.16 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1c3t s LEU 61 Cb -0.09 -3.31 -0.00 0.00 0.03 0.00 0.00 46.19 42.82 1c3t s LEU 61 CO 0.85 -1.72 0.00 0.00 0.23 0.00 0.00 176.35 175.71 1c3t n GLN 62 N -3.14 0.98 -2.68 1.70 3.00 -1.26 -4.97 117.38 111.02 1c3t n GLN 62 Ca 0.08 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 1c3t n GLN 62 Cb 0.60 0.05 -0.04 0.00 0.00 0.00 0.00 30.24 30.86 1c3t n GLN 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1c3t s LYS 63 N -2.04 4.61 -0.63 -1.09 2.47 -1.26 -4.21 119.74 117.58 1c3t s LYS 63 Ca 0.01 1.49 -0.06 0.00 -1.56 0.00 0.00 55.97 55.84 1c3t s LYS 63 Cb 0.00 -3.40 0.01 0.00 -1.46 0.00 0.00 37.83 32.98 1c3t s LYS 63 CO 0.00 0.05 0.66 0.39 0.16 0.00 0.00 175.35 176.62 1c3t n GLU 64 N 3.32 -1.70 -4.05 4.03 4.71 -0.07 -5.02 120.64 121.85 1c3t n GLU 64 Ca 0.04 1.67 -0.22 0.00 -0.01 0.00 0.00 57.16 58.65 1c3t n GLU 64 Cb 0.49 -5.45 -0.03 0.00 -1.01 0.00 0.00 31.44 25.44 1c3t n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1c3t s SER 65 N -2.83 5.87 -0.36 1.62 0.01 -1.26 -4.85 113.70 111.92 1c3t s SER 65 Ca 0.09 -0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.20 1c3t s SER 65 Cb -0.02 -1.61 0.07 0.00 0.21 0.00 0.00 66.02 64.66 1c3t s SER 65 CO 0.77 -0.05 0.13 -0.89 0.41 0.00 0.00 173.24 173.61 1c3t s THR 66 N -2.05 3.52 -0.13 1.44 2.01 -1.26 -0.49 115.64 118.68 1c3t s THR 66 Ca 0.33 -1.48 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 1c3t s THR 66 Cb -0.08 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1c3t s THR 66 CO 0.27 -0.34 0.03 -0.63 -0.69 0.00 0.00 174.62 173.26 1c3t s ILE 67 N 1.30 4.58 -0.22 1.82 1.01 -0.67 -4.79 121.20 124.23 1c3t s ILE 67 Ca 0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.33 1c3t s ILE 67 Cb -0.21 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1c3t s ILE 67 CO -0.00 0.54 0.59 -1.00 0.00 0.00 0.00 174.94 175.07 1c3t s HIS 68 N -0.30 3.34 -0.43 3.97 3.76 -0.94 -1.59 115.29 123.10 1c3t s HIS 68 Ca 0.08 0.83 -0.15 0.00 -0.15 0.00 0.00 55.06 55.66 1c3t s HIS 68 Cb -0.12 -2.76 0.04 0.00 1.11 0.00 0.00 32.58 30.84 1c3t s HIS 68 CO 0.02 -0.20 0.33 -1.17 -0.85 0.00 0.00 174.74 172.86 1c3t s LEU 69 N 2.02 5.26 0.13 0.89 0.20 -0.23 -1.50 118.68 125.45 1c3t s LEU 69 Ca 0.26 -1.04 0.08 0.00 0.69 0.00 0.00 54.13 54.12 1c3t s LEU 69 Cb -0.16 -2.16 -0.04 0.00 -0.43 0.00 0.00 46.19 43.40 1c3t s LEU 69 CO 0.10 -0.51 -0.10 -0.69 -0.29 0.00 0.00 176.35 174.85 1c3t s VAL 70 N 1.66 3.26 0.36 1.68 1.01 0.13 -3.96 120.40 124.54 1c3t s VAL 70 Ca 0.05 -1.44 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 1c3t s VAL 70 Cb -0.21 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 1c3t s VAL 70 CO 0.09 0.02 1.15 -0.22 0.00 0.00 0.00 175.10 176.14 1c3t s LEU 71 N -2.45 4.32 0.17 3.92 2.96 -1.26 -0.14 118.68 126.21 1c3t s LEU 71 Ca 0.22 2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 56.16 1c3t s LEU 71 Cb -0.10 -3.89 -0.17 0.00 0.50 0.00 0.00 46.19 42.53 1c3t s LEU 71 CO 0.14 -0.48 0.60 0.54 -1.32 0.00 0.00 176.35 175.83 1c3t n ARG 72 N 0.46 0.01 -0.23 1.98 5.12 -0.85 -4.81 116.66 118.34 1c3t n ARG 72 Ca 0.02 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.85 1c3t n ARG 72 Cb 0.46 -1.07 0.10 0.00 -1.16 0.00 0.00 32.46 30.78 1c3t n ARG 72 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1c3t n LEU 73 N 1.93 0.00 -1.47 0.55 -0.00 -1.26 -4.83 117.00 111.92 1c3t n LEU 73 Ca 0.18 -0.28 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 1c3t n LEU 73 Cb 0.23 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 1c3t n LEU 73 CO 0.57 -1.95 -0.31 -1.14 -0.00 0.00 0.00 177.39 174.56 1c3t n ARG 74 N -1.80 -3.60 -3.13 1.47 0.63 -1.26 -5.05 116.66 103.93 1c3t n ARG 74 Ca 0.04 2.70 -0.09 0.00 -0.92 0.00 0.00 57.85 59.59 1c3t n ARG 74 Cb 0.19 -2.75 -0.03 0.00 0.45 0.00 0.00 32.46 30.32 1c3t n ARG 74 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1c3t s GLY 75 N -0.54 -0.63 0.00 5.14 0.00 -1.26 -5.17 107.32 104.86 1c3t s GLY 75 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1c3t s GLY 75 CO 0.00 3.23 0.00 0.61 0.00 0.00 0.00 173.10 176.94