#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 3.43 -0.00 3.17 2.00 -1.26 -1.19 119.66 125.80 1c3t s GLN 2 Ca 0.00 -0.41 0.02 0.00 -2.00 0.00 0.00 55.36 52.98 1c3t s GLN 2 Cb 0.00 -2.95 -0.01 0.00 0.80 0.00 0.00 33.01 30.86 1c3t s GLN 2 CO 0.00 0.49 -0.07 -0.51 -0.50 0.00 0.00 175.29 174.70 1c3t s LEU 3 N -0.27 2.02 -0.30 3.68 1.43 -0.42 0.14 118.68 124.97 1c3t s LEU 3 Ca 0.06 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1c3t s LEU 3 Cb -0.12 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.74 1c3t s LEU 3 CO 0.02 0.08 0.10 -0.36 0.23 0.00 0.00 176.35 176.42 1c3t s PHE 4 N -0.18 3.15 -0.36 0.29 0.08 0.26 -1.51 117.98 119.71 1c3t s PHE 4 Ca 0.02 -0.80 -0.06 0.00 0.12 0.00 0.00 56.93 56.22 1c3t s PHE 4 Cb -0.03 -2.29 0.06 0.00 -0.57 0.00 0.00 43.02 40.20 1c3t s PHE 4 CO -0.00 -0.52 0.14 0.08 -0.10 0.00 0.00 175.22 174.82 1c3t s VAL 5 N 1.55 3.70 0.07 -0.44 1.01 0.15 -0.88 120.40 125.55 1c3t s VAL 5 Ca 0.04 -1.37 -0.12 0.00 0.00 0.00 0.00 61.98 60.52 1c3t s VAL 5 Cb -0.17 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1c3t s VAL 5 CO 0.04 -0.32 0.44 -1.59 0.00 0.00 0.00 175.10 173.67 1c3t s LYS 6 N 1.35 3.87 0.02 2.72 -2.85 0.42 -1.44 119.74 123.82 1c3t s LYS 6 Ca 0.00 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 1c3t s LYS 6 Cb -0.21 -3.06 0.00 0.00 -2.06 0.00 0.00 37.83 32.51 1c3t s LYS 6 CO 0.01 0.59 0.02 0.25 0.10 0.00 0.00 175.35 176.32 1c3t n THR 7 N 1.18 0.00 1.58 3.79 -2.24 -0.82 -0.41 114.28 117.36 1c3t n THR 7 Ca -0.09 -0.07 0.15 0.00 -2.27 0.00 0.00 64.05 61.77 1c3t n THR 7 Cb 0.52 -0.82 0.72 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.37 -1.77 3.22 -0.00 -1.24 -3.42 117.00 114.16 1c3t n LEU 8 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 1c3t n LEU 8 Cb 0.02 -0.13 0.27 0.00 -0.00 0.00 0.00 43.42 43.58 1c3t n LEU 8 CO 0.01 0.07 0.98 0.35 -0.00 0.00 0.00 177.39 178.80 1c3t n THR 9 N -0.91 2.84 -3.79 1.96 -2.24 -1.26 -4.93 114.28 105.95 1c3t n THR 9 Ca 0.17 -1.87 -0.26 0.00 -2.27 0.00 0.00 64.05 59.82 1c3t n THR 9 Cb 0.23 -0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.48 -0.40 3.16 3.38 0.00 -1.22 -4.98 105.19 104.66 1c3t n GLY 10 Ca 0.40 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 46.26 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 -6.29 3.01 -0.31 1.61 2.20 -1.26 -4.97 119.74 113.72 1c3t s LYS 11 Ca 0.34 -0.85 -0.15 0.00 -0.36 0.00 0.00 55.97 54.95 1c3t s LYS 11 Cb -0.17 -2.45 -0.02 0.00 -1.51 0.00 0.00 37.83 33.68 1c3t s LYS 11 CO 0.82 -0.05 0.38 0.99 -0.36 0.00 0.00 175.35 177.14 1c3t s THR 12 N 0.89 5.15 -0.17 3.43 2.01 -1.26 -1.95 115.64 123.73 1c3t s THR 12 Ca -0.05 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.23 1c3t s THR 12 Cb -0.15 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1c3t s THR 12 CO -0.04 0.01 0.01 -0.22 -0.69 0.00 0.00 174.62 173.70 1c3t s LEU 13 N 2.09 3.53 -0.32 4.42 2.96 -0.52 -4.93 118.68 125.91 1c3t s LEU 13 Ca 0.14 -0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.96 1c3t s LEU 13 Cb -0.16 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1c3t s LEU 13 CO 0.11 0.17 0.10 -0.89 -1.32 0.00 0.00 176.35 174.51 1c3t s THR 14 N 0.40 3.93 0.10 3.68 2.01 -1.26 0.30 115.64 124.78 1c3t s THR 14 Ca -0.00 -0.88 0.09 0.00 0.31 0.00 0.00 61.69 61.21 1c3t s THR 14 Cb -0.13 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1c3t s THR 14 CO 0.02 -0.04 -0.24 0.68 -0.69 0.00 0.00 174.62 174.35 1c3t s VAL 15 N 1.46 1.97 -0.20 3.82 -7.23 -0.57 -4.96 120.40 114.69 1c3t s VAL 15 Ca 0.01 -1.55 -0.06 0.00 -1.81 0.00 0.00 61.98 58.57 1c3t s VAL 15 Cb -0.18 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1c3t s VAL 15 CO 0.03 0.10 0.03 -1.83 -0.31 0.00 0.00 175.10 173.11 1c3t s GLU 16 N -1.75 3.72 0.00 4.82 -1.05 -1.26 -1.30 118.70 121.88 1c3t s GLU 16 Ca 0.10 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1c3t s GLU 16 Cb -0.10 -3.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.44 1c3t s GLU 16 CO 0.04 0.06 0.00 1.28 0.95 0.00 0.00 175.26 177.59 1c3t n LEU 17 N 4.14 0.00 -4.10 1.83 4.77 -0.34 -4.89 117.00 118.41 1c3t n LEU 17 Ca -0.17 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.64 1c3t n LEU 17 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1c3t n LEU 17 CO 0.32 0.00 -0.44 -1.61 -1.33 0.00 0.00 177.39 174.34 1c3t s GLU 18 N -1.83 0.72 0.54 3.23 2.02 -1.26 0.23 118.70 122.35 1c3t s GLU 18 Ca 0.00 -0.73 0.21 0.00 0.02 0.00 0.00 54.97 54.47 1c3t s GLU 18 Cb 0.00 -0.65 1.13 0.00 0.10 0.00 0.00 34.13 34.71 1c3t s GLU 18 CO 0.00 0.15 1.60 -1.35 0.02 0.00 0.00 175.26 175.68 1c3t h PRO 19 N 4.79 0.00 0.00 0.39 0.11 -1.95 0.33 132.00 135.66 1c3t h PRO 19 Ca -0.37 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 1c3t h PRO 19 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1c3t h PRO 19 CO 0.43 0.00 -0.58 0.66 -0.21 0.00 0.00 178.00 178.29 1c3t h SER 20 N 0.00 0.00 -4.13 -2.05 4.64 -1.97 -2.95 113.55 107.10 1c3t h SER 20 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1c3t h SER 20 Cb 0.78 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.96 1c3t h SER 20 CO 0.00 0.58 0.42 -1.81 -0.87 0.00 0.00 176.83 175.15 1c3t s ASP 21 N -6.64 5.38 0.26 4.97 1.01 0.11 -4.82 116.67 116.94 1c3t s ASP 21 Ca 0.00 2.15 0.08 0.00 0.71 0.00 0.00 52.55 55.50 1c3t s ASP 21 Cb 0.11 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1c3t s ASP 21 CO 0.74 -1.45 0.12 0.42 0.21 0.00 0.00 175.17 175.21 1c3t s THR 22 N -1.95 4.06 0.29 -1.27 -4.23 -1.26 -1.92 115.64 109.37 1c3t s THR 22 Ca 0.71 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1c3t s THR 22 Cb -0.24 -3.19 0.40 0.00 1.34 0.00 0.00 72.50 70.82 1c3t s THR 22 CO 0.33 -0.36 1.58 0.58 -0.54 0.00 0.00 174.62 176.22 1c3t h VAL 23 N 1.65 0.07 -0.51 2.29 2.07 -1.68 0.12 116.25 120.26 1c3t h VAL 23 Ca -0.47 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.12 1c3t h VAL 23 Cb 1.24 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 1c3t h VAL 23 CO 0.61 0.00 -0.47 -0.08 0.02 0.00 0.00 177.57 177.65 1c3t h GLU 24 N 0.02 -0.28 -0.09 1.57 4.22 -1.92 0.11 114.58 118.21 1c3t h GLU 24 Ca 0.55 0.02 0.04 0.00 0.08 0.00 0.00 59.36 60.05 1c3t h GLU 24 Cb 1.06 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1c3t h GLU 24 CO -0.90 -0.19 -0.27 -0.91 -2.18 0.00 0.00 179.01 174.56 1c3t h ASN 25 N -0.29 -0.82 -1.01 1.04 -0.26 -1.16 0.22 115.58 113.30 1c3t h ASN 25 Ca 0.14 0.12 0.24 0.00 -0.56 0.00 0.00 56.30 56.25 1c3t h ASN 25 Cb 0.57 0.35 -0.09 0.00 -1.06 0.00 0.00 38.32 38.09 1c3t h ASN 25 CO -0.64 -0.32 0.64 0.25 -1.06 0.00 0.00 177.43 176.30 1c3t h LEU 26 N -0.36 0.51 -0.04 1.61 5.85 -0.80 0.44 115.31 122.52 1c3t h LEU 26 Ca 0.09 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1c3t h LEU 26 Cb 0.49 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1c3t h LEU 26 CO -0.30 0.13 -0.01 0.11 -0.34 0.00 0.00 178.44 178.04 1c3t h LYS 27 N 0.47 0.08 -1.04 1.25 1.57 0.11 -2.36 116.57 116.65 1c3t h LYS 27 Ca 0.58 -0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.60 1c3t h LYS 27 Cb 1.34 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.53 1c3t h LYS 27 CO -0.31 0.40 0.64 0.00 -0.57 0.00 0.00 179.45 179.62 1c3t h ALA 28 N 0.68 2.07 -0.19 3.86 0.00 0.55 0.25 119.26 126.47 1c3t h ALA 28 Ca 0.01 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1c3t h ALA 28 Cb 0.36 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1c3t h ALA 28 CO 0.00 -0.53 -0.21 0.87 0.00 0.00 0.00 179.25 179.39 1c3t h LYS 29 N 0.45 0.48 0.00 0.00 1.57 -1.22 -2.56 116.57 115.29 1c3t h LYS 29 Ca 0.64 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1c3t h LYS 29 Cb 1.46 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.79 1c3t h LYS 29 CO -0.39 0.84 0.00 0.82 -0.57 0.00 0.00 179.45 180.15 1c3t h ILE 30 N 0.15 0.00 0.21 1.86 2.04 -0.07 -1.27 117.51 120.42 1c3t h ILE 30 Ca 0.03 -0.14 -0.34 0.00 1.00 0.00 0.00 64.86 65.41 1c3t h ILE 30 Cb 0.76 1.01 0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1c3t h ILE 30 CO 0.05 0.00 -1.64 -0.61 0.00 0.00 0.00 178.15 175.95 1c3t h GLN 31 N 0.00 0.44 -0.18 2.37 4.15 -0.77 -1.74 115.11 119.37 1c3t h GLN 31 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 58.65 58.67 1c3t h GLN 31 Cb 0.15 0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1c3t h GLN 31 CO 0.00 1.36 0.00 -0.25 -1.93 0.00 0.00 178.83 178.01 1c3t n ASP 32 N -3.66 1.37 0.01 -0.69 9.92 -0.86 -2.29 116.55 120.35 1c3t n ASP 32 Ca -0.22 -1.77 0.00 0.00 -0.53 0.00 0.00 54.79 52.26 1c3t n ASP 32 Cb 1.07 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 41.43 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1c3t n LYS 33 N 0.17 0.00 -0.04 -1.24 5.02 -0.54 -4.81 118.16 116.72 1c3t n LYS 33 Ca 0.13 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 1c3t n LYS 33 Cb 0.26 -0.10 0.41 0.00 -0.02 0.00 0.00 35.03 35.58 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 -2.71 1.81 -3.63 1.97 1.02 -0.70 -4.94 120.64 113.45 1c3t n GLU 34 Ca 0.00 -1.19 -0.24 0.00 -0.02 0.00 0.00 57.16 55.71 1c3t n GLU 34 Cb 0.00 -1.45 0.07 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.20 -0.49 3.30 0.62 0.00 -0.92 -4.96 105.19 103.94 1c3t n GLY 35 Ca 0.18 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.35 3.30 0.31 -0.61 1.01 -0.94 -4.95 121.20 115.97 1c3t s ILE 36 Ca 0.45 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1c3t s ILE 36 Cb -0.21 -2.52 -0.11 0.00 0.01 0.00 0.00 42.46 39.63 1c3t s ILE 36 CO 0.75 0.40 1.57 -2.84 0.00 0.00 0.00 174.94 174.82 1c3t s PRO 37 N 1.46 4.12 0.54 2.79 0.02 -1.26 -3.63 135.00 139.04 1c3t s PRO 37 Ca 0.05 2.58 0.22 0.00 0.02 0.00 0.00 61.00 63.87 1c3t s PRO 37 Cb -0.14 -3.01 1.45 0.00 0.02 0.00 0.00 34.50 32.81 1c3t s PRO 37 CO -0.04 -0.61 2.14 -1.35 -0.33 0.00 0.00 177.00 176.82 1c3t h PRO 38 N 4.44 0.00 0.00 5.54 0.11 -1.95 -0.22 132.00 139.92 1c3t h PRO 38 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1c3t h PRO 38 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1c3t h PRO 38 CO 0.76 0.00 0.00 0.22 -0.21 0.00 0.00 178.00 178.77 1c3t h ASP 39 N 0.00 0.00 -0.03 -2.05 3.58 -1.99 -2.54 116.42 113.39 1c3t h ASP 39 Ca 0.05 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1c3t h ASP 39 Cb 0.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 1c3t h ASP 39 CO -0.00 0.00 -0.05 0.00 -2.88 0.00 0.00 179.24 176.31 1c3t n GLN 40 N -2.65 1.47 -3.32 0.28 6.02 -0.12 -4.86 117.38 114.20 1c3t n GLN 40 Ca 0.01 -2.68 -0.46 0.00 -0.01 0.00 0.00 57.00 53.86 1c3t n GLN 40 Cb 0.23 -1.55 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.92 2.96 -0.56 -1.09 -0.21 -0.96 -3.32 119.66 113.57 1c3t s GLN 41 Ca 0.34 -1.70 -0.17 0.00 0.02 0.00 0.00 55.36 53.85 1c3t s GLN 41 Cb 0.30 -4.28 0.13 0.00 1.00 0.00 0.00 33.01 30.16 1c3t s GLN 41 CO 0.03 -1.31 0.55 0.50 -2.12 0.00 0.00 175.29 172.93 1c3t s ARG 42 N 1.59 3.01 -0.20 2.91 3.52 -0.44 -4.98 118.95 124.36 1c3t s ARG 42 Ca 0.03 -1.64 -0.20 0.00 -0.13 0.00 0.00 55.73 53.78 1c3t s ARG 42 Cb -0.30 -4.30 -0.03 0.00 -1.56 0.00 0.00 34.95 28.77 1c3t s ARG 42 CO 0.03 -1.37 0.61 -0.51 -0.81 0.00 0.00 175.30 173.24 1c3t s LEU 43 N 1.80 4.14 -0.65 -0.88 1.43 -1.26 0.38 118.68 123.64 1c3t s LEU 43 Ca 0.05 0.79 0.06 0.00 -1.03 0.00 0.00 54.13 54.00 1c3t s LEU 43 Cb -0.28 -2.85 0.22 0.00 0.03 0.00 0.00 46.19 43.30 1c3t s LEU 43 CO 0.03 -0.26 0.62 -0.38 0.23 0.00 0.00 176.35 176.60 1c3t n ILE 44 N 4.70 1.79 -2.39 -0.59 5.41 -0.22 -0.62 119.36 127.44 1c3t n ILE 44 Ca -0.02 -4.96 -0.43 0.00 1.00 0.00 0.00 62.75 58.35 1c3t n ILE 44 Cb 0.50 -2.11 -0.02 0.00 -0.71 0.00 0.00 39.64 37.30 1c3t n ILE 44 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1c3t s PHE 45 N -1.92 2.67 -1.54 1.39 5.36 0.76 -3.30 117.98 121.39 1c3t s PHE 45 Ca 0.34 0.87 -0.14 0.00 -0.96 0.00 0.00 56.93 57.04 1c3t s PHE 45 Cb 0.07 -3.79 0.09 0.00 -0.34 0.00 0.00 43.02 39.05 1c3t s PHE 45 CO -0.09 -1.84 0.96 0.00 -1.46 0.00 0.00 175.22 172.79 1c3t n ALA 46 N 7.39 -1.31 0.00 11.12 0.00 -1.26 0.26 120.51 136.71 1c3t n ALA 46 Ca 0.15 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1c3t n ALA 46 Cb 0.46 -4.31 0.00 0.00 0.00 0.00 0.00 19.45 15.59 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 -1.67 2.86 3.62 0.00 0.00 -1.22 -4.99 105.19 103.79 1c3t n GLY 47 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.05 4.09 -0.60 1.61 1.02 0.14 -5.00 119.74 120.95 1c3t s LYS 48 Ca 0.00 0.35 -0.28 0.00 0.02 0.00 0.00 55.97 56.06 1c3t s LYS 48 Cb 0.00 -3.64 0.03 0.00 -0.52 0.00 0.00 37.83 33.70 1c3t s LYS 48 CO 0.00 -0.33 1.19 -0.65 -0.92 0.00 0.00 175.35 174.64 1c3t s GLN 49 N 2.24 3.47 0.63 1.68 -0.21 -1.26 -0.17 119.66 126.05 1c3t s GLN 49 Ca 0.22 0.17 -0.17 0.00 0.02 0.00 0.00 55.36 55.60 1c3t s GLN 49 Cb -0.16 -4.03 -0.07 0.00 1.00 0.00 0.00 33.01 29.75 1c3t s GLN 49 CO 0.09 -1.72 0.55 1.28 -2.12 0.00 0.00 175.29 173.37 1c3t n LEU 50 N 8.49 0.97 -3.94 2.90 4.77 0.21 -4.99 117.00 125.42 1c3t n LEU 50 Ca 0.08 0.69 -0.29 0.00 -0.03 0.00 0.00 56.01 56.45 1c3t n LEU 50 Cb 0.49 -1.20 -0.16 0.00 -2.33 0.00 0.00 43.42 40.21 1c3t n LEU 50 CO 0.71 -3.01 -0.45 -1.61 -1.33 0.00 0.00 177.39 171.70 1c3t s GLU 51 N -2.37 1.75 0.21 3.23 2.02 -1.26 -4.77 118.70 117.51 1c3t s GLU 51 Ca 0.68 -0.55 -0.29 0.00 0.02 0.00 0.00 54.97 54.83 1c3t s GLU 51 Cb -0.41 -2.04 -0.16 0.00 0.10 0.00 0.00 34.13 31.62 1c3t s GLU 51 CO 0.55 -0.36 0.76 -3.47 0.02 0.00 0.00 175.26 172.76 1c3t n ASP 52 N 4.83 -0.15 0.00 -0.19 -0.08 -1.26 -2.16 116.55 117.53 1c3t n ASP 52 Ca -0.14 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.29 1c3t n ASP 52 Cb 0.48 -1.08 0.00 0.00 2.34 0.00 0.00 41.12 42.87 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c3t n GLY 53 N 1.73 2.12 3.91 0.27 0.00 -1.26 -4.98 105.19 106.97 1c3t n GLY 53 Ca 0.15 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 3.58 0.36 1.61 1.81 -0.92 -4.90 118.95 120.49 1c3t s ARG 54 Ca 0.00 0.06 0.01 0.00 -1.72 0.00 0.00 55.73 54.08 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 -0.01 0.56 0.95 -0.68 0.00 0.00 175.30 176.12 1c3t s THR 55 N -2.45 4.97 0.20 0.02 -4.23 -1.26 -1.91 115.64 110.98 1c3t s THR 55 Ca 0.45 -0.49 -0.11 0.00 -1.18 0.00 0.00 61.69 60.37 1c3t s THR 55 Cb -0.10 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 70.05 1c3t s THR 55 CO 0.38 -0.53 1.84 -0.07 -0.54 0.00 0.00 174.62 175.70 1c3t h LEU 56 N 0.72 0.68 -1.12 4.79 3.38 -1.31 -2.09 115.31 120.35 1c3t h LEU 56 Ca -0.49 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.59 1c3t h LEU 56 Cb 1.22 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1c3t h LEU 56 CO 0.61 0.48 0.61 -1.28 0.09 0.00 0.00 178.44 178.94 1c3t h SER 57 N 0.82 0.84 -0.97 -0.43 0.87 -1.81 -0.50 113.55 112.36 1c3t h SER 57 Ca 0.26 0.04 0.23 0.00 -1.23 0.00 0.00 61.79 61.09 1c3t h SER 57 Cb 0.01 -0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 61.76 1c3t h SER 57 CO -0.10 0.45 0.63 0.44 -0.53 0.00 0.00 176.83 177.73 1c3t h ASP 58 N 0.90 0.43 -0.65 6.23 3.32 -1.66 0.34 116.42 125.33 1c3t h ASP 58 Ca 0.46 0.06 -0.38 0.00 0.02 0.00 0.00 57.03 57.19 1c3t h ASP 58 Cb 0.52 -0.02 -0.19 0.00 0.22 0.00 0.00 39.33 39.85 1c3t h ASP 58 CO -0.23 0.14 0.49 -1.22 -1.72 0.00 0.00 179.24 176.70 1c3t n TYR 59 N -4.55 2.03 -4.01 4.55 4.01 -0.20 -4.87 117.16 114.12 1c3t n TYR 59 Ca 0.22 -1.77 -0.30 0.00 -0.16 0.00 0.00 57.90 55.89 1c3t n TYR 59 Cb 0.77 -0.88 -0.08 0.00 -0.31 0.00 0.00 39.34 38.85 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 -0.35 -0.23 -4.67 7.72 0.23 0.12 -4.82 115.26 113.25 1c3t n ASN 60 Ca 0.40 -1.05 -0.43 0.00 -0.53 0.00 0.00 54.58 52.98 1c3t n ASN 60 Cb 0.98 -1.32 -0.03 0.00 -2.08 0.00 0.00 39.78 37.34 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 -6.42 4.15 -0.12 -4.53 1.43 -1.19 -5.04 118.68 106.97 1c3t s LEU 61 Ca 0.31 1.37 -0.06 0.00 -1.03 0.00 0.00 54.13 54.72 1c3t s LEU 61 Cb -0.18 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1c3t s LEU 61 CO 0.84 -0.56 0.08 -1.10 0.23 0.00 0.00 176.35 175.84 1c3t s GLN 62 N 2.68 3.43 -0.26 1.70 -0.21 -1.26 -4.74 119.66 121.00 1c3t s GLN 62 Ca 0.44 -0.26 -0.40 0.00 0.02 0.00 0.00 55.36 55.15 1c3t s GLN 62 Cb -0.16 -3.08 -0.18 0.00 1.00 0.00 0.00 33.01 30.59 1c3t s GLN 62 CO 0.10 0.64 1.26 0.36 -2.12 0.00 0.00 175.29 175.53 1c3t n LYS 63 N 2.39 0.00 -1.19 2.91 2.85 -1.26 -3.50 118.16 120.36 1c3t n LYS 63 Ca -0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 1c3t n LYS 63 Cb 0.54 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1c3t n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1c3t n GLU 64 N 2.67 0.00 -4.12 -1.58 -0.58 0.38 -4.90 120.64 112.51 1c3t n GLU 64 Ca 0.24 0.40 -0.14 0.00 -0.42 0.00 0.00 57.16 57.23 1c3t n GLU 64 Cb 0.00 -1.19 -0.11 0.00 -0.57 0.00 0.00 31.44 29.57 1c3t n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1c3t s SER 65 N -1.64 1.20 0.06 1.62 0.01 -1.23 -4.97 113.70 108.76 1c3t s SER 65 Ca 0.00 -0.66 -0.05 0.00 1.31 0.00 0.00 55.95 56.55 1c3t s SER 65 Cb 0.00 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 1c3t s SER 65 CO 0.00 -0.21 0.31 -0.89 0.41 0.00 0.00 173.24 172.86 1c3t s THR 66 N -1.76 5.25 -0.03 1.44 2.01 -1.26 -0.57 115.64 120.72 1c3t s THR 66 Ca -0.03 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1c3t s THR 66 Cb -0.07 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1c3t s THR 66 CO 0.00 0.22 0.05 -0.63 -0.69 0.00 0.00 174.62 173.58 1c3t s ILE 67 N -1.45 -0.06 -0.55 1.82 1.01 -0.06 -4.45 121.20 117.47 1c3t s ILE 67 Ca 0.33 0.21 -0.20 0.00 0.00 0.00 0.00 60.65 61.00 1c3t s ILE 67 Cb -0.13 -0.11 0.07 0.00 0.01 0.00 0.00 42.46 42.30 1c3t s ILE 67 CO 0.21 0.09 0.71 -1.00 0.00 0.00 0.00 174.94 174.94 1c3t s HIS 68 N 1.10 2.98 -0.52 3.97 3.76 -1.21 -0.44 115.29 124.93 1c3t s HIS 68 Ca -0.09 -0.59 -0.21 0.00 -0.15 0.00 0.00 55.06 54.02 1c3t s HIS 68 Cb -0.13 -3.78 0.05 0.00 1.11 0.00 0.00 32.58 29.84 1c3t s HIS 68 CO -0.04 -1.19 0.75 -1.17 -0.85 0.00 0.00 174.74 172.24 1c3t s LEU 69 N 2.91 4.63 0.11 0.89 2.96 0.46 -1.06 118.68 129.57 1c3t s LEU 69 Ca 0.16 -0.69 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1c3t s LEU 69 Cb -0.20 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 1c3t s LEU 69 CO 0.11 -1.02 0.16 -0.69 -1.32 0.00 0.00 176.35 173.60 1c3t s VAL 70 N 3.14 4.89 0.61 1.68 1.01 0.16 -3.64 120.40 128.24 1c3t s VAL 70 Ca 0.21 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1c3t s VAL 70 Cb -0.17 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1c3t s VAL 70 CO 0.15 0.04 1.17 -0.76 0.00 0.00 0.00 175.10 175.69 1c3t s LEU 71 N -2.74 3.59 -1.07 3.92 2.01 -1.26 -1.33 118.68 121.80 1c3t s LEU 71 Ca 0.32 2.26 -0.21 0.00 0.01 0.00 0.00 54.13 56.51 1c3t s LEU 71 Cb -0.12 -4.58 -0.08 0.00 0.01 0.00 0.00 46.19 41.42 1c3t s LEU 71 CO 0.25 -1.59 1.94 0.54 1.01 0.00 0.00 176.35 178.50 1c3t n ARG 72 N -1.81 1.92 -3.97 1.70 5.12 -1.21 -4.37 116.66 114.05 1c3t n ARG 72 Ca 0.12 -2.35 -0.32 0.00 -1.93 0.00 0.00 57.85 53.37 1c3t n ARG 72 Cb 0.50 -3.33 -0.07 0.00 -1.16 0.00 0.00 32.46 28.40 1c3t n ARG 72 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1c3t n LEU 73 N 9.97 -0.70 -3.02 0.55 4.77 -1.26 -2.63 117.00 124.68 1c3t n LEU 73 Ca 0.48 -1.02 -0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1c3t n LEU 73 Cb 0.43 -1.29 -0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1c3t n LEU 73 CO 0.86 0.17 -0.42 -1.14 -1.33 0.00 0.00 177.39 175.53 1c3t n ARG 74 N -3.53 -1.50 -3.85 3.23 0.63 -1.26 -4.97 116.66 105.41 1c3t n ARG 74 Ca -0.01 1.51 0.00 0.00 -0.92 0.00 0.00 57.85 58.43 1c3t n ARG 74 Cb 0.42 -2.21 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1c3t n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1c3t n GLY 75 N 1.45 -1.04 0.00 5.14 0.00 -1.08 -5.22 105.19 104.44 1c3t n GLY 75 Ca -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93