#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 2.18 0.22 2.12 -0.21 -1.26 -0.87 119.66 121.84 1c3t s GLN 2 Ca 0.00 -1.03 0.04 0.00 0.02 0.00 0.00 55.36 54.39 1c3t s GLN 2 Cb 0.00 -2.32 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 1c3t s GLN 2 CO 0.00 0.50 -0.02 -0.51 -2.12 0.00 0.00 175.29 173.15 1c3t s LEU 3 N -2.32 2.23 -0.07 2.90 1.43 -0.28 -1.78 118.68 120.80 1c3t s LEU 3 Ca 0.23 -1.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 1c3t s LEU 3 Cb -0.11 -0.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 1c3t s LEU 3 CO 0.15 -0.49 -0.09 -0.36 0.23 0.00 0.00 176.35 175.79 1c3t s PHE 4 N -3.42 2.88 -0.09 0.29 0.08 0.81 -1.91 117.98 116.62 1c3t s PHE 4 Ca 0.27 -0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.25 1c3t s PHE 4 Cb 0.05 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.83 1c3t s PHE 4 CO 0.07 0.27 -0.01 0.08 -0.10 0.00 0.00 175.22 175.53 1c3t s VAL 5 N -0.71 0.53 0.04 -0.44 1.01 -0.59 -1.71 120.40 118.52 1c3t s VAL 5 Ca 0.11 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1c3t s VAL 5 Cb -0.11 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1c3t s VAL 5 CO 0.01 0.23 -0.16 -1.59 0.00 0.00 0.00 175.10 173.59 1c3t s LYS 6 N 1.90 2.13 0.64 2.72 -2.85 -0.77 -1.34 119.74 122.17 1c3t s LYS 6 Ca 0.04 -0.95 0.05 0.00 -1.00 0.00 0.00 55.97 54.11 1c3t s LYS 6 Cb -0.13 -2.23 0.10 0.00 -2.06 0.00 0.00 37.83 33.51 1c3t s LYS 6 CO -0.06 0.55 0.88 0.95 0.10 0.00 0.00 175.35 177.76 1c3t s THR 7 N -0.95 2.17 -0.58 3.79 -4.23 -0.38 -1.59 115.64 113.89 1c3t s THR 7 Ca 0.15 -0.81 0.21 0.00 -1.18 0.00 0.00 61.69 60.07 1c3t s THR 7 Cb -0.11 -2.37 0.22 0.00 1.34 0.00 0.00 72.50 71.58 1c3t s THR 7 CO 0.06 0.00 1.64 -0.11 -0.54 0.00 0.00 174.62 175.67 1c3t n LEU 8 N -2.51 0.52 0.08 4.79 0.00 -1.17 -1.84 117.00 116.86 1c3t n LEU 8 Ca 0.15 0.64 0.12 0.00 0.00 0.00 0.00 56.01 56.91 1c3t n LEU 8 Cb 0.61 -0.58 0.05 0.00 0.00 0.00 0.00 43.42 43.50 1c3t n LEU 8 CO 0.41 -0.52 0.09 0.35 0.00 0.00 0.00 177.39 177.72 1c3t n THR 9 N -2.08 0.48 0.00 1.96 -2.24 -1.26 -4.98 114.28 106.16 1c3t n THR 9 Ca 0.02 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1c3t n THR 9 Cb 0.20 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 1.25 3.11 2.89 3.38 0.00 -0.77 -5.07 105.19 109.97 1c3t n GLY 10 Ca 0.01 -1.09 -0.46 0.00 0.00 0.00 0.00 46.02 44.47 1c3t n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1c3t n LYS 11 N 0.00 0.00 -4.43 1.61 4.81 -1.26 -4.36 118.16 114.52 1c3t n LYS 11 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1c3t n LYS 11 Cb 0.00 -1.13 -0.14 0.00 0.02 0.00 0.00 35.03 33.78 1c3t n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1c3t s THR 12 N -0.24 1.09 0.14 3.15 2.01 -1.26 -1.25 115.64 119.29 1c3t s THR 12 Ca 0.69 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1c3t s THR 12 Cb -0.98 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1c3t s THR 12 CO 0.47 0.10 0.01 -1.48 -0.69 0.00 0.00 174.62 173.03 1c3t s LEU 13 N -0.88 2.07 -0.10 4.42 0.05 -0.45 -4.98 118.68 118.81 1c3t s LEU 13 Ca 0.03 -1.16 0.03 0.00 0.05 0.00 0.00 54.13 53.08 1c3t s LEU 13 Cb -0.07 0.07 0.01 0.00 -2.05 0.00 0.00 46.19 44.15 1c3t s LEU 13 CO 0.01 -0.61 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.11 1c3t s THR 14 N -3.79 1.72 0.30 5.48 2.01 -1.26 -1.55 115.64 118.55 1c3t s THR 14 Ca 0.22 -0.81 0.09 0.00 0.31 0.00 0.00 61.69 61.50 1c3t s THR 14 Cb 0.07 -1.52 -0.06 0.00 0.01 0.00 0.00 72.50 71.00 1c3t s THR 14 CO 0.02 0.48 -0.11 0.68 -0.69 0.00 0.00 174.62 175.00 1c3t s VAL 15 N 0.60 2.08 -0.21 3.82 -7.23 -0.80 -4.96 120.40 113.69 1c3t s VAL 15 Ca -0.14 -2.22 0.01 0.00 -1.81 0.00 0.00 61.98 57.82 1c3t s VAL 15 Cb -0.17 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.34 1c3t s VAL 15 CO 0.04 -0.30 -0.10 -1.83 -0.31 0.00 0.00 175.10 172.60 1c3t s GLU 16 N -3.63 2.06 0.28 4.82 -1.05 -1.26 -1.12 118.70 118.80 1c3t s GLU 16 Ca 0.30 -0.94 0.01 0.00 -0.15 0.00 0.00 54.97 54.20 1c3t s GLU 16 Cb 0.01 -2.52 -0.03 0.00 -0.44 0.00 0.00 34.13 31.15 1c3t s GLU 16 CO 0.14 -0.46 0.27 -0.51 0.95 0.00 0.00 175.26 175.65 1c3t s LEU 17 N 1.34 1.32 0.22 1.83 1.43 -0.05 -4.99 118.68 119.79 1c3t s LEU 17 Ca -0.03 -1.53 0.07 0.00 -1.03 0.00 0.00 54.13 51.62 1c3t s LEU 17 Cb -0.17 0.71 -0.04 0.00 0.03 0.00 0.00 46.19 46.72 1c3t s LEU 17 CO -0.08 -1.02 0.13 -1.61 0.23 0.00 0.00 176.35 174.00 1c3t s GLU 18 N -3.69 2.77 0.26 1.70 0.41 -1.26 -3.78 118.70 115.10 1c3t s GLU 18 Ca 0.37 -1.07 0.21 0.00 -0.41 0.00 0.00 54.97 54.08 1c3t s GLU 18 Cb 0.03 -2.50 0.99 0.00 -1.78 0.00 0.00 34.13 30.88 1c3t s GLU 18 CO 0.20 0.42 1.64 -0.35 -0.49 0.00 0.00 175.26 176.68 1c3t n PRO 19 N -0.81 0.15 0.09 0.39 -0.04 -1.26 -1.68 135.00 131.84 1c3t n PRO 19 Ca -0.08 0.51 0.03 0.00 -0.04 0.00 0.00 63.50 63.92 1c3t n PRO 19 Cb 0.57 -1.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.51 3.54 4.64 -1.96 0.24 113.55 117.50 1c3t h SER 20 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1c3t h SER 20 Cb 0.18 0.00 0.23 0.00 -0.31 0.00 0.00 62.40 62.50 1c3t h SER 20 CO 0.00 0.46 -1.13 0.47 -0.87 0.00 0.00 176.83 175.76 1c3t n ASP 21 N -2.99 -2.57 -4.53 4.97 8.00 -0.68 -4.63 116.55 114.12 1c3t n ASP 21 Ca -0.04 0.05 -0.24 0.00 0.71 0.00 0.00 54.79 55.27 1c3t n ASP 21 Cb 0.76 -0.98 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.25 2.63 0.31 -3.53 -4.23 -1.26 -1.77 115.64 105.54 1c3t s THR 22 Ca 0.53 -2.25 0.07 0.00 -1.18 0.00 0.00 61.69 58.87 1c3t s THR 22 Cb -0.13 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.52 1c3t s THR 22 CO 0.68 -0.35 1.78 0.58 -0.54 0.00 0.00 174.62 176.77 1c3t h VAL 23 N 2.12 0.69 -0.79 2.29 2.07 -1.25 0.12 116.25 121.49 1c3t h VAL 23 Ca -0.41 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1c3t h VAL 23 Cb 1.26 -0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 1c3t h VAL 23 CO 0.62 0.13 0.46 -0.08 0.02 0.00 0.00 177.57 178.72 1c3t h GLU 24 N 0.72 0.78 0.85 1.57 4.22 -1.92 -0.20 114.58 120.60 1c3t h GLU 24 Ca 0.58 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.93 1c3t h GLU 24 Cb 0.96 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1c3t h GLU 24 CO -0.37 0.51 -0.41 -0.91 -2.18 0.00 0.00 179.01 175.66 1c3t h ASN 25 N 0.80 -0.96 -0.37 1.04 -0.26 -1.17 0.12 115.58 114.76 1c3t h ASN 25 Ca 0.37 0.03 0.08 0.00 -0.56 0.00 0.00 56.30 56.21 1c3t h ASN 25 Cb 0.28 0.25 -0.09 0.00 -1.06 0.00 0.00 38.32 37.70 1c3t h ASN 25 CO -0.22 -0.62 -0.32 0.25 -1.06 0.00 0.00 177.43 175.46 1c3t h LEU 26 N -1.26 -1.06 -0.16 1.61 5.85 -1.22 -1.34 115.31 117.73 1c3t h LEU 26 Ca -0.12 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1c3t h LEU 26 Cb 0.88 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 1c3t h LEU 26 CO 0.19 -0.32 -0.09 0.11 -0.34 0.00 0.00 178.44 177.99 1c3t h LYS 27 N -0.26 -0.09 -0.93 1.25 1.79 -1.03 -1.88 116.57 115.42 1c3t h LYS 27 Ca 0.17 0.01 0.26 0.00 -2.18 0.00 0.00 60.65 58.90 1c3t h LYS 27 Cb 0.53 0.02 -0.17 0.00 -1.58 0.00 0.00 32.23 31.04 1c3t h LYS 27 CO -0.52 -0.06 0.12 0.00 -1.08 0.00 0.00 179.45 177.91 1c3t h ALA 28 N 1.04 1.23 -0.46 3.86 0.00 0.35 0.72 119.26 126.01 1c3t h ALA 28 Ca 0.09 0.29 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1c3t h ALA 28 Cb 0.22 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1c3t h ALA 28 CO -0.21 -0.56 0.04 0.87 0.00 0.00 0.00 179.25 179.39 1c3t h LYS 29 N 0.07 0.78 0.00 0.00 1.57 -0.77 -2.16 116.57 116.06 1c3t h LYS 29 Ca 0.59 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1c3t h LYS 29 Cb 1.22 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1c3t h LYS 29 CO -0.81 0.82 0.00 0.82 -0.57 0.00 0.00 179.45 179.71 1c3t h ILE 30 N 0.64 0.00 0.00 1.86 2.04 0.92 0.44 117.51 123.41 1c3t h ILE 30 Ca 0.13 -0.11 -0.21 0.00 1.00 0.00 0.00 64.86 65.68 1c3t h ILE 30 Cb 0.44 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1c3t h ILE 30 CO 0.02 0.00 -1.42 -0.61 0.00 0.00 0.00 178.15 176.14 1c3t h GLN 31 N 0.00 0.00 0.02 2.37 4.15 -0.41 -2.02 115.11 119.22 1c3t h GLN 31 Ca 0.00 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.11 1c3t h GLN 31 Cb 0.11 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.75 1c3t h GLN 31 CO 0.00 0.43 -1.78 -0.25 -1.93 0.00 0.00 178.83 175.30 1c3t n ASP 32 N -3.01 1.03 -0.10 -0.69 9.92 -0.42 -2.33 116.55 120.94 1c3t n ASP 32 Ca -0.11 0.37 -0.18 0.00 -0.53 0.00 0.00 54.79 54.34 1c3t n ASP 32 Cb 0.92 -0.14 -0.09 0.00 -0.64 0.00 0.00 41.12 41.17 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 -3.10 0.54 0.00 -1.24 5.02 0.14 -4.39 118.16 115.14 1c3t n LYS 33 Ca -0.20 0.54 0.12 0.00 -2.02 0.00 0.00 58.31 56.75 1c3t n LYS 33 Cb 1.06 -1.71 0.27 0.00 -0.02 0.00 0.00 35.03 34.63 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 -4.46 0.11 -1.58 1.97 1.02 -0.81 -4.94 120.64 111.96 1c3t n GLU 34 Ca -0.28 -0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 56.68 1c3t n GLU 34 Cb 0.60 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 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 1.48 0.93 3.31 0.62 0.00 -0.99 -4.94 105.19 105.60 1c3t n GLY 35 Ca 0.06 -0.45 -0.36 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 -2.48 3.57 0.71 -0.61 1.01 -0.92 -4.92 121.20 117.56 1c3t s ILE 36 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1c3t s ILE 36 Cb 0.00 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.76 1c3t s ILE 36 CO 0.00 0.26 1.23 -2.84 0.00 0.00 0.00 174.94 173.58 1c3t s PRO 37 N 1.47 2.20 0.39 2.79 0.02 -1.26 -2.77 135.00 137.84 1c3t s PRO 37 Ca 0.04 1.83 0.15 0.00 0.02 0.00 0.00 61.00 63.04 1c3t s PRO 37 Cb -0.16 -1.83 0.79 0.00 0.02 0.00 0.00 34.50 33.32 1c3t s PRO 37 CO -0.01 -1.80 1.84 -1.00 -0.33 0.00 0.00 177.00 175.70 1c3t h PRO 38 N -0.13 0.00 0.00 5.54 0.13 -1.95 -2.54 132.00 133.05 1c3t h PRO 38 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1c3t h PRO 38 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1c3t h PRO 38 CO 0.50 0.35 0.00 -0.44 -0.23 0.00 0.00 178.00 178.18 1c3t h ASP 39 N 0.00 0.00 0.00 1.44 3.32 -2.00 -1.40 116.42 117.78 1c3t h ASP 39 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1c3t h ASP 39 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1c3t h ASP 39 CO 0.05 0.00 -0.17 0.00 -1.72 0.00 0.00 179.24 177.40 1c3t n GLN 40 N -2.61 1.13 -3.66 3.56 6.02 -0.97 -4.88 117.38 115.97 1c3t n GLN 40 Ca -0.01 -2.48 -0.37 0.00 -0.01 0.00 0.00 57.00 54.13 1c3t n GLN 40 Cb 0.11 -1.35 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.50 3.97 -0.54 -1.09 -0.21 -0.53 -3.16 119.66 115.60 1c3t s GLN 41 Ca 0.29 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.37 1c3t s GLN 41 Cb 0.26 -3.55 0.14 0.00 1.00 0.00 0.00 33.01 30.86 1c3t s GLN 41 CO 0.00 -0.05 0.30 0.50 -2.12 0.00 0.00 175.29 173.92 1c3t s ARG 42 N 1.37 2.13 -0.08 2.91 3.52 0.58 -4.94 118.95 124.44 1c3t s ARG 42 Ca 0.07 -2.55 -0.19 0.00 -0.13 0.00 0.00 55.73 52.93 1c3t s ARG 42 Cb -0.15 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 1c3t s ARG 42 CO 0.07 -1.12 0.51 -0.51 -0.81 0.00 0.00 175.30 173.44 1c3t s LEU 43 N -0.15 4.32 -0.35 -0.88 1.43 -1.26 0.09 118.68 121.89 1c3t s LEU 43 Ca 0.17 0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 54.18 1c3t s LEU 43 Cb -0.24 -2.75 0.13 0.00 0.03 0.00 0.00 46.19 43.35 1c3t s LEU 43 CO -0.02 0.04 0.18 -0.63 0.23 0.00 0.00 176.35 176.16 1c3t s ILE 44 N 0.35 0.39 -0.48 -0.59 1.01 0.53 -1.70 121.20 120.71 1c3t s ILE 44 Ca 0.28 -1.61 -0.28 0.00 0.00 0.00 0.00 60.65 59.03 1c3t s ILE 44 Cb -0.16 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1c3t s ILE 44 CO 0.12 -0.88 1.48 0.12 0.00 0.00 0.00 174.94 175.78 1c3t s PHE 45 N 1.24 2.24 -1.48 3.97 5.36 0.11 -3.00 117.98 126.42 1c3t s PHE 45 Ca 0.15 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 1c3t s PHE 45 Cb -0.21 -4.32 0.00 0.00 -0.34 0.00 0.00 43.02 38.15 1c3t s PHE 45 CO -0.10 -2.09 0.00 0.00 -1.46 0.00 0.00 175.22 171.57 1c3t n ALA 46 N 9.55 -0.39 0.00 11.12 0.00 -1.26 0.24 120.51 139.76 1c3t n ALA 46 Ca 0.16 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1c3t n ALA 46 Cb 0.49 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.47 0.67 3.52 0.00 0.00 -1.22 -5.06 105.19 102.63 1c3t n GLY 47 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.57 3.29 -0.14 1.61 1.02 0.14 -4.99 119.74 120.11 1c3t s LYS 48 Ca 0.00 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 1c3t s LYS 48 Cb 0.00 -3.96 -0.02 0.00 -0.52 0.00 0.00 37.83 33.33 1c3t s LYS 48 CO 0.00 -1.05 1.28 -1.14 -0.92 0.00 0.00 175.35 173.52 1c3t s GLN 49 N 2.92 4.25 0.34 1.68 0.74 -1.26 0.07 119.66 128.40 1c3t s GLN 49 Ca 0.24 1.70 -0.28 0.00 0.05 0.00 0.00 55.36 57.07 1c3t s GLN 49 Cb -0.14 -3.74 -0.10 0.00 1.10 0.00 0.00 33.01 30.13 1c3t s GLN 49 CO 0.19 -0.67 1.25 -0.51 -0.55 0.00 0.00 175.29 175.01 1c3t s LEU 50 N 3.30 4.39 -0.11 3.68 1.43 -0.69 -4.98 118.68 125.69 1c3t s LEU 50 Ca 0.56 2.57 -0.01 0.00 -1.03 0.00 0.00 54.13 56.23 1c3t s LEU 50 Cb -0.23 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 42.23 1c3t s LEU 50 CO 0.17 -0.54 -0.09 -1.61 0.23 0.00 0.00 176.35 174.52 1c3t s GLU 51 N -1.87 3.22 0.53 1.70 2.02 -1.26 -4.83 118.70 118.21 1c3t s GLU 51 Ca 0.50 -0.60 -0.21 0.00 0.02 0.00 0.00 54.97 54.68 1c3t s GLU 51 Cb -0.37 -2.68 -0.07 0.00 0.10 0.00 0.00 34.13 31.11 1c3t s GLU 51 CO 0.48 0.38 1.06 -0.40 0.02 0.00 0.00 175.26 176.81 1c3t n ASP 52 N 3.07 1.36 0.00 -0.19 5.68 -1.26 -2.00 116.55 123.21 1c3t n ASP 52 Ca -0.18 0.92 0.00 0.00 -0.50 0.00 0.00 54.79 55.03 1c3t n ASP 52 Cb 0.53 -1.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.09 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 1.13 2.72 3.87 6.12 0.00 -1.26 -4.99 105.19 112.77 1c3t n GLY 53 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.36 3.86 0.56 1.61 1.81 -0.85 -4.85 118.95 120.74 1c3t s ARG 54 Ca 0.00 0.38 -0.03 0.00 -1.72 0.00 0.00 55.73 54.36 1c3t s ARG 54 Cb 0.00 -2.62 0.02 0.00 -0.45 0.00 0.00 34.95 31.90 1c3t s ARG 54 CO 0.00 0.29 0.83 0.95 -0.68 0.00 0.00 175.30 176.69 1c3t s THR 55 N -1.82 3.29 0.00 0.02 -4.23 -1.26 -0.81 115.64 110.83 1c3t s THR 55 Ca 0.48 -0.34 -0.25 0.00 -1.18 0.00 0.00 61.69 60.40 1c3t s THR 55 Cb -0.11 -3.28 -0.19 0.00 1.34 0.00 0.00 72.50 70.26 1c3t s THR 55 CO 0.20 -0.24 1.37 -0.07 -0.54 0.00 0.00 174.62 175.34 1c3t h LEU 56 N -0.03 -0.01 -2.24 4.79 3.38 -1.30 -2.96 115.31 116.94 1c3t h LEU 56 Ca -0.45 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.16 1c3t h LEU 56 Cb 1.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1c3t h LEU 56 CO 0.58 0.36 -0.01 -1.28 0.09 0.00 0.00 178.44 178.17 1c3t h SER 57 N -0.39 0.00 -0.83 -0.43 0.87 -0.79 -1.97 113.55 110.01 1c3t h SER 57 Ca -0.00 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.68 1c3t h SER 57 Cb 0.38 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 1c3t h SER 57 CO 0.00 0.01 0.54 0.44 -0.53 0.00 0.00 176.83 177.30 1c3t h ASP 58 N 0.00 0.62 -0.41 6.23 3.32 -1.75 0.23 116.42 124.66 1c3t h ASP 58 Ca -0.00 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1c3t h ASP 58 Cb 0.02 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1c3t h ASP 58 CO 0.00 0.33 0.05 -1.22 -1.72 0.00 0.00 179.24 176.69 1c3t n TYR 59 N -4.53 1.46 -3.72 4.55 4.01 -0.74 -4.94 117.16 113.25 1c3t n TYR 59 Ca 0.15 -0.59 -0.23 0.00 -0.16 0.00 0.00 57.90 57.07 1c3t n TYR 59 Cb 0.42 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.29 -5.11 -4.69 7.72 0.23 0.81 -4.96 115.26 109.54 1c3t n ASN 60 Ca 0.21 -0.86 -0.23 0.00 -0.53 0.00 0.00 54.58 53.17 1c3t n ASN 60 Cb 0.93 -1.96 0.11 0.00 -2.08 0.00 0.00 39.78 36.78 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 -4.76 2.95 0.13 -4.53 2.01 -1.25 -5.06 118.68 108.17 1c3t s LEU 61 Ca 0.02 -0.53 -0.05 0.00 0.01 0.00 0.00 54.13 53.59 1c3t s LEU 61 Cb -0.00 -1.75 -0.02 0.00 0.01 0.00 0.00 46.19 44.42 1c3t s LEU 61 CO 0.88 -1.88 0.15 -1.10 1.01 0.00 0.00 176.35 175.41 1c3t s GLN 62 N -5.11 0.98 0.31 1.70 -1.52 -1.26 -5.00 119.66 109.75 1c3t s GLN 62 Ca 0.67 -1.27 -0.29 0.00 -1.95 0.00 0.00 55.36 52.52 1c3t s GLN 62 Cb -0.04 0.30 -0.10 0.00 -0.22 0.00 0.00 33.01 32.94 1c3t s GLN 62 CO 0.44 -0.31 1.30 0.21 -0.25 0.00 0.00 175.29 176.69 1c3t s LYS 63 N -3.99 4.37 -0.60 2.91 2.20 -1.26 -3.94 119.74 119.44 1c3t s LYS 63 Ca 0.18 2.18 -0.01 0.00 -0.36 0.00 0.00 55.97 57.96 1c3t s LYS 63 Cb 0.06 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1c3t s LYS 63 CO -0.01 -0.18 0.59 0.39 -0.36 0.00 0.00 175.35 175.77 1c3t n GLU 64 N 1.13 -1.22 -4.53 4.03 1.02 -0.73 -5.05 120.64 115.28 1c3t n GLU 64 Ca 0.01 1.41 -0.26 0.00 -0.02 0.00 0.00 57.16 58.30 1c3t n GLU 64 Cb 0.42 -5.12 -0.10 0.00 -0.02 0.00 0.00 31.44 26.61 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 -2.80 3.79 -0.09 1.62 0.01 -1.25 -4.93 113.70 110.04 1c3t s SER 65 Ca 0.02 -1.20 0.01 0.00 1.31 0.00 0.00 55.95 56.09 1c3t s SER 65 Cb -0.01 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 1c3t s SER 65 CO 0.64 -0.24 -0.11 -0.89 0.41 0.00 0.00 173.24 173.05 1c3t s THR 66 N -2.61 3.29 -0.06 1.44 2.01 -1.26 -0.13 115.64 118.31 1c3t s THR 66 Ca 0.33 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1c3t s THR 66 Cb 0.03 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.20 1c3t s THR 66 CO 0.17 0.56 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.88 1c3t s ILE 67 N -0.24 1.31 -0.35 1.82 1.01 -0.70 -4.41 121.20 119.64 1c3t s ILE 67 Ca 0.02 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 1c3t s ILE 67 Cb -0.13 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.18 1c3t s ILE 67 CO 0.03 0.39 0.56 -1.00 0.00 0.00 0.00 174.94 174.92 1c3t s HIS 68 N 0.41 3.17 -0.17 3.97 3.76 -1.16 -1.85 115.29 123.41 1c3t s HIS 68 Ca -0.11 0.26 -0.07 0.00 -0.15 0.00 0.00 55.06 54.98 1c3t s HIS 68 Cb -0.14 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 1c3t s HIS 68 CO 0.04 -0.57 0.07 -1.17 -0.85 0.00 0.00 174.74 172.26 1c3t s LEU 69 N 2.51 3.86 0.01 0.89 0.20 -0.62 -0.34 118.68 125.19 1c3t s LEU 69 Ca 0.21 0.12 0.03 0.00 0.69 0.00 0.00 54.13 55.18 1c3t s LEU 69 Cb -0.15 -1.97 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 1c3t s LEU 69 CO 0.14 0.21 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.63 1c3t s VAL 70 N 0.18 0.64 0.12 1.68 1.01 0.11 -3.04 120.40 121.10 1c3t s VAL 70 Ca 0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 1c3t s VAL 70 Cb -0.12 -0.56 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1c3t s VAL 70 CO 0.00 0.08 0.97 -0.22 0.00 0.00 0.00 175.10 175.93 1c3t s LEU 71 N -0.46 4.50 0.53 3.92 2.96 -1.26 -0.30 118.68 128.57 1c3t s LEU 71 Ca 0.01 1.81 -0.19 0.00 -0.22 0.00 0.00 54.13 55.54 1c3t s LEU 71 Cb -0.04 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.96 1c3t s LEU 71 CO -0.00 -0.07 0.49 -2.11 -1.32 0.00 0.00 176.35 173.34 1c3t n ARG 72 N 2.76 0.51 -0.10 1.98 0.00 -1.19 -4.91 116.66 115.71 1c3t n ARG 72 Ca 0.02 0.20 0.09 0.00 -0.00 0.00 0.00 57.85 58.15 1c3t n ARG 72 Cb 0.49 -1.61 0.13 0.00 -0.00 0.00 0.00 32.46 31.47 1c3t n ARG 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1c3t n LEU 73 N 0.83 2.45 -3.65 2.89 4.77 -1.26 -5.00 117.00 118.04 1c3t n LEU 73 Ca 0.11 -2.93 -0.02 0.00 -0.03 0.00 0.00 56.01 53.14 1c3t n LEU 73 Cb 0.45 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1c3t n LEU 73 CO 0.52 0.68 0.80 0.00 -1.33 0.00 0.00 177.39 178.06 1c3t s ARG 74 N -2.61 0.30 -0.19 3.23 1.70 -1.26 -5.08 118.95 115.04 1c3t s ARG 74 Ca 0.29 0.48 0.01 0.00 -0.47 0.00 0.00 55.73 56.03 1c3t s ARG 74 Cb 0.25 0.08 0.04 0.00 -0.57 0.00 0.00 34.95 34.75 1c3t s ARG 74 CO 0.03 -0.06 0.85 0.41 -1.08 0.00 0.00 175.30 175.46 1c3t n GLY 75 N 3.18 -0.80 0.00 3.88 0.00 -1.26 -5.15 105.19 105.04 1c3t n GLY 75 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93