#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 3.53 -0.00 3.17 1.11 -1.26 -1.18 119.66 125.03 1c3t s GLN 2 Ca 0.00 0.23 -0.12 0.00 0.01 0.00 0.00 55.36 55.48 1c3t s GLN 2 Cb 0.00 -2.36 0.01 0.00 -1.01 0.00 0.00 33.01 29.66 1c3t s GLN 2 CO 0.00 -0.24 0.25 -0.51 0.01 0.00 0.00 175.29 174.80 1c3t s LEU 3 N -4.77 1.11 -0.05 2.90 1.43 -0.36 -1.37 118.68 117.57 1c3t s LEU 3 Ca 0.48 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1c3t s LEU 3 Cb -0.10 1.06 -0.02 0.00 0.03 0.00 0.00 46.19 47.15 1c3t s LEU 3 CO 0.45 -0.44 -0.19 -0.36 0.23 0.00 0.00 176.35 176.04 1c3t s PHE 4 N -1.46 2.56 -0.13 0.29 0.40 0.25 -1.64 117.98 118.25 1c3t s PHE 4 Ca -0.13 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 55.81 1c3t s PHE 4 Cb -0.06 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.90 1c3t s PHE 4 CO 0.03 0.02 -0.05 0.08 0.70 0.00 0.00 175.22 175.99 1c3t s VAL 5 N -0.50 0.94 0.08 -0.44 1.01 0.14 -2.22 120.40 119.40 1c3t s VAL 5 Ca 0.06 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1c3t s VAL 5 Cb -0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1c3t s VAL 5 CO 0.01 0.25 -0.22 -1.59 0.00 0.00 0.00 175.10 173.55 1c3t s LYS 6 N 1.73 1.33 0.00 2.72 0.00 -0.88 0.21 119.74 124.85 1c3t s LYS 6 Ca 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 55.97 54.90 1c3t s LYS 6 Cb -0.14 -1.57 0.00 0.00 0.00 0.00 0.00 37.83 36.13 1c3t s LYS 6 CO -0.08 0.38 0.00 0.25 0.00 0.00 0.00 175.35 175.91 1c3t n THR 7 N 1.42 0.00 -0.39 3.79 -2.24 -1.25 -0.44 114.28 115.17 1c3t n THR 7 Ca -0.18 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1c3t n THR 7 Cb 0.53 -0.68 0.07 0.00 -2.10 0.00 0.00 70.33 68.15 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 5.44 0.00 3.22 4.77 -1.26 -3.97 117.00 125.21 1c3t n LEU 8 Ca 0.00 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.16 1c3t n LEU 8 Cb 0.00 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1c3t n LEU 8 CO 0.00 0.94 -0.09 0.35 -1.33 0.00 0.00 177.39 177.26 1c3t n THR 9 N -0.07 0.00 0.00 -5.08 -2.24 -1.26 -5.07 114.28 100.56 1c3t n THR 9 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1c3t n THR 9 Cb 0.89 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.83 3.96 3.37 3.38 0.00 -1.25 -5.09 105.19 111.39 1c3t n GLY 10 Ca 0.00 -0.59 -0.52 0.00 0.00 0.00 0.00 46.02 44.91 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 0.22 -3.54 1.61 4.81 -1.26 -4.73 118.16 115.27 1c3t n LYS 11 Ca 0.00 0.05 -0.38 0.00 -0.87 0.00 0.00 58.31 57.11 1c3t n LYS 11 Cb 0.00 -1.75 -0.06 0.00 0.02 0.00 0.00 35.03 33.24 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 7.42 5.09 -0.12 3.15 2.01 -1.26 -3.85 115.64 128.08 1c3t s THR 12 Ca 1.22 0.76 0.02 0.00 0.31 0.00 0.00 61.69 64.01 1c3t s THR 12 Cb -1.26 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 67.59 1c3t s THR 12 CO 0.56 0.58 -0.19 -0.76 -0.69 0.00 0.00 174.62 174.12 1c3t s LEU 13 N -1.05 1.94 -0.36 4.42 2.01 0.13 -4.92 118.68 120.85 1c3t s LEU 13 Ca 0.23 -0.52 -0.07 0.00 0.01 0.00 0.00 54.13 53.77 1c3t s LEU 13 Cb -0.16 -1.28 0.05 0.00 0.01 0.00 0.00 46.19 44.80 1c3t s LEU 13 CO 0.12 0.06 0.16 -0.89 1.01 0.00 0.00 176.35 176.81 1c3t s THR 14 N 0.83 3.96 0.25 5.49 2.01 -1.26 0.25 115.64 127.17 1c3t s THR 14 Ca -0.08 -1.20 0.10 0.00 0.31 0.00 0.00 61.69 60.82 1c3t s THR 14 Cb -0.16 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1c3t s THR 14 CO -0.01 -0.28 -0.08 0.68 -0.69 0.00 0.00 174.62 174.25 1c3t s VAL 15 N 1.41 3.13 -0.18 3.82 -7.23 -0.65 -4.94 120.40 115.77 1c3t s VAL 15 Ca 0.00 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1c3t s VAL 15 Cb -0.20 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1c3t s VAL 15 CO 0.03 -0.32 0.04 -1.61 -0.31 0.00 0.00 175.10 172.93 1c3t s GLU 16 N -3.43 3.89 0.02 4.82 8.01 -1.26 -1.23 118.70 129.52 1c3t s GLU 16 Ca 0.29 -0.39 -0.00 0.00 0.01 0.00 0.00 54.97 54.88 1c3t s GLU 16 Cb -0.07 -3.14 0.00 0.00 -4.31 0.00 0.00 34.13 26.61 1c3t s GLU 16 CO 0.17 0.25 0.03 -0.11 0.01 0.00 0.00 175.26 175.61 1c3t n LEU 17 N 3.59 0.00 -4.09 1.80 7.94 -0.32 -4.99 117.00 120.92 1c3t n LEU 17 Ca -0.17 -0.20 -0.12 0.00 -1.11 0.00 0.00 56.01 54.42 1c3t n LEU 17 Cb 0.52 0.16 -0.11 0.00 0.53 0.00 0.00 43.42 44.53 1c3t n LEU 17 CO 0.35 -0.04 -0.39 -1.61 -1.11 0.00 0.00 177.39 174.58 1c3t s GLU 18 N -2.06 0.61 0.64 1.96 0.41 -1.26 0.12 118.70 119.12 1c3t s GLU 18 Ca 0.02 -0.95 0.41 0.00 -0.41 0.00 0.00 54.97 54.04 1c3t s GLU 18 Cb -0.00 -0.22 2.19 0.00 -1.78 0.00 0.00 34.13 34.32 1c3t s GLU 18 CO 0.01 0.02 2.30 -1.00 -0.49 0.00 0.00 175.26 176.10 1c3t h PRO 19 N 3.97 0.00 0.00 0.39 0.13 -1.94 -0.15 132.00 134.39 1c3t h PRO 19 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1c3t h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1c3t h PRO 19 CO 0.49 0.01 -0.11 0.66 -0.23 0.00 0.00 178.00 178.82 1c3t h SER 20 N 0.00 0.00 -4.04 1.44 4.64 -1.95 -1.78 113.55 111.86 1c3t h SER 20 Ca -0.00 -0.02 -0.48 0.00 -0.47 0.00 0.00 61.79 60.82 1c3t h SER 20 Cb 0.08 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.32 1c3t h SER 20 CO 0.00 0.01 0.24 -1.81 -0.87 0.00 0.00 176.83 174.40 1c3t s ASP 21 N -5.03 3.29 0.38 4.97 1.01 -0.07 -4.85 116.67 116.37 1c3t s ASP 21 Ca 0.09 1.41 0.08 0.00 0.71 0.00 0.00 52.55 54.83 1c3t s ASP 21 Cb 0.10 -2.09 -0.07 0.00 1.01 0.00 0.00 42.92 41.87 1c3t s ASP 21 CO 0.64 -2.74 -0.03 0.42 0.21 0.00 0.00 175.17 173.67 1c3t s THR 22 N -2.95 2.06 0.22 -1.27 -4.23 -1.26 -1.73 115.64 106.48 1c3t s THR 22 Ca 0.64 -2.09 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 1c3t s THR 22 Cb -0.18 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 71.03 1c3t s THR 22 CO 0.57 -0.09 1.68 0.58 -0.54 0.00 0.00 174.62 176.82 1c3t h VAL 23 N 1.91 0.55 -0.86 2.29 2.07 -1.25 0.17 116.25 121.13 1c3t h VAL 23 Ca -0.43 -0.07 0.22 0.00 0.82 0.00 0.00 66.70 67.24 1c3t h VAL 23 Cb 1.24 0.32 -0.14 0.00 -1.52 0.00 0.00 31.29 31.20 1c3t h VAL 23 CO 0.76 0.04 0.25 -0.08 0.02 0.00 0.00 177.57 178.55 1c3t h GLU 24 N 0.21 0.23 0.18 1.57 4.81 -1.90 0.65 114.58 120.33 1c3t h GLU 24 Ca 0.35 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1c3t h GLU 24 Cb 0.56 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1c3t h GLU 24 CO -0.48 0.15 -0.09 -0.91 -0.73 0.00 0.00 179.01 176.96 1c3t h ASN 25 N 0.24 -0.20 -0.36 1.04 -0.26 -1.37 -1.71 115.58 112.95 1c3t h ASN 25 Ca 0.53 -0.15 0.08 0.00 -0.56 0.00 0.00 56.30 56.21 1c3t h ASN 25 Cb 1.05 0.05 -0.08 0.00 -1.06 0.00 0.00 38.32 38.28 1c3t h ASN 25 CO -0.62 0.03 -0.21 0.25 -1.06 0.00 0.00 177.43 175.82 1c3t h LEU 26 N -0.44 -0.70 -0.09 1.61 5.85 -0.58 -1.71 115.31 119.26 1c3t h LEU 26 Ca -0.02 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1c3t h LEU 26 Cb 0.34 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1c3t h LEU 26 CO 0.04 -0.24 -0.15 0.11 -0.34 0.00 0.00 178.44 177.86 1c3t h LYS 27 N -0.16 -0.20 -0.96 1.25 1.79 -0.92 -1.45 116.57 115.93 1c3t h LYS 27 Ca 0.18 0.01 0.29 0.00 -2.18 0.00 0.00 60.65 58.95 1c3t h LYS 27 Cb 0.43 0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 30.98 1c3t h LYS 27 CO -0.45 -0.14 0.46 0.00 -1.08 0.00 0.00 179.45 178.24 1c3t h ALA 28 N 0.80 1.72 -0.28 3.86 0.00 -0.43 0.38 119.26 125.32 1c3t h ALA 28 Ca 0.08 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1c3t h ALA 28 Cb 0.33 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1c3t h ALA 28 CO -0.21 -0.53 0.08 0.87 0.00 0.00 0.00 179.25 179.46 1c3t h LYS 29 N 0.29 0.45 0.00 0.00 1.79 -0.66 -1.92 116.57 116.52 1c3t h LYS 29 Ca 0.67 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 59.03 1c3t h LYS 29 Cb 1.47 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.06 1c3t h LYS 29 CO -0.62 0.52 -0.03 0.82 -1.08 0.00 0.00 179.45 179.05 1c3t h ILE 30 N 0.29 0.64 0.00 1.86 2.04 0.19 0.45 117.51 122.98 1c3t h ILE 30 Ca 0.09 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1c3t h ILE 30 Cb 0.27 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1c3t h ILE 30 CO -0.00 0.03 -0.39 -0.61 0.00 0.00 0.00 178.15 177.18 1c3t h GLN 31 N 0.00 0.00 0.05 2.37 4.15 -0.62 0.04 115.11 121.10 1c3t h GLN 31 Ca -0.00 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.09 1c3t h GLN 31 Cb 0.08 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1c3t h GLN 31 CO 0.00 0.00 -1.86 -3.47 -1.93 0.00 0.00 178.83 171.57 1c3t n ASP 32 N -2.28 1.40 -0.13 -0.69 -0.08 0.02 -2.95 116.55 111.85 1c3t n ASP 32 Ca 0.04 0.31 -0.27 0.00 -1.51 0.00 0.00 54.79 53.36 1c3t n ASP 32 Cb 0.45 -0.38 -0.09 0.00 2.34 0.00 0.00 41.12 43.44 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1c3t n LYS 33 N -3.23 0.58 -0.09 -0.67 5.02 -0.47 -4.51 118.16 114.80 1c3t n LYS 33 Ca -0.24 0.27 0.11 0.00 -2.02 0.00 0.00 58.31 56.44 1c3t n LYS 33 Cb 1.05 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.88 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 -4.29 2.01 -3.82 1.97 -0.58 -0.10 -4.94 120.64 110.89 1c3t n GLU 34 Ca -0.49 -1.51 -0.29 0.00 -0.42 0.00 0.00 57.16 54.45 1c3t n GLU 34 Cb 0.83 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 1c3t n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c3t n GLY 35 N 1.27 -0.45 3.51 0.62 0.00 -0.59 -4.87 105.19 104.68 1c3t n GLY 35 Ca 0.17 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.00 4.62 0.27 -0.61 1.01 -0.96 -4.90 121.20 117.63 1c3t s ILE 36 Ca 0.57 -0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.84 1c3t s ILE 36 Cb -0.32 -3.15 -0.12 0.00 0.01 0.00 0.00 42.46 38.88 1c3t s ILE 36 CO 0.70 0.34 1.63 -2.65 0.00 0.00 0.00 174.94 174.96 1c3t n PRO 37 N 4.70 2.72 0.01 2.79 -0.02 -1.26 -3.42 135.00 140.53 1c3t n PRO 37 Ca -0.16 0.97 0.16 0.00 -2.02 0.00 0.00 63.50 62.46 1c3t n PRO 37 Cb 0.52 -2.77 0.63 0.00 -0.02 0.00 0.00 33.50 31.86 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 5.27 0.11 -0.11 0.52 0.11 -1.95 -0.23 132.00 135.72 1c3t h PRO 38 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1c3t h PRO 38 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1c3t h PRO 38 CO 0.83 0.07 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.14 1c3t h ASP 39 N 0.11 0.15 -0.59 -2.05 3.32 -2.00 -1.91 116.42 113.45 1c3t h ASP 39 Ca 0.23 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1c3t h ASP 39 Cb 0.75 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.17 1c3t h ASP 39 CO -0.02 0.29 0.16 0.00 -1.72 0.00 0.00 179.24 177.94 1c3t n GLN 40 N -4.32 3.47 -3.73 3.56 6.02 -0.12 -4.72 117.38 117.55 1c3t n GLN 40 Ca -0.01 -3.07 -0.37 0.00 -0.01 0.00 0.00 57.00 53.54 1c3t n GLN 40 Cb 0.24 -2.11 -0.12 0.00 1.02 0.00 0.00 30.24 29.27 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 -2.98 3.76 -0.60 -1.09 -0.21 -0.72 -4.06 119.66 113.76 1c3t s GLN 41 Ca 0.52 -0.42 -0.00 0.00 0.02 0.00 0.00 55.36 55.47 1c3t s GLN 41 Cb 0.42 -3.41 0.15 0.00 1.00 0.00 0.00 33.01 31.17 1c3t s GLN 41 CO 0.11 -0.15 0.39 0.50 -2.12 0.00 0.00 175.29 174.02 1c3t s ARG 42 N 1.57 2.39 -0.39 2.91 3.52 -0.68 -4.91 118.95 123.36 1c3t s ARG 42 Ca 0.06 -2.62 -0.21 0.00 -0.13 0.00 0.00 55.73 52.83 1c3t s ARG 42 Cb -0.15 -3.59 0.01 0.00 -1.56 0.00 0.00 34.95 29.66 1c3t s ARG 42 CO 0.06 -1.16 0.68 -0.51 -0.81 0.00 0.00 175.30 173.56 1c3t s LEU 43 N -0.24 4.28 -0.76 -0.88 1.43 -1.26 -1.14 118.68 120.11 1c3t s LEU 43 Ca 0.18 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1c3t s LEU 43 Cb -0.21 -2.84 0.20 0.00 0.03 0.00 0.00 46.19 43.36 1c3t s LEU 43 CO -0.03 -0.69 0.63 -0.38 0.23 0.00 0.00 176.35 176.10 1c3t n ILE 44 N 5.74 2.18 -1.71 -0.59 5.41 -0.14 -0.97 119.36 129.29 1c3t n ILE 44 Ca -0.00 -5.01 -0.43 0.00 1.00 0.00 0.00 62.75 58.31 1c3t n ILE 44 Cb 0.48 -2.23 -0.03 0.00 -0.71 0.00 0.00 39.64 37.16 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 -1.61 1.33 -1.46 1.39 5.36 0.13 -2.24 117.98 120.87 1c3t s PHE 45 Ca 0.28 0.48 -0.11 0.00 -0.96 0.00 0.00 56.93 56.62 1c3t s PHE 45 Cb -0.02 -3.99 0.07 0.00 -0.34 0.00 0.00 43.02 38.74 1c3t s PHE 45 CO -0.13 -3.94 0.75 0.00 -1.46 0.00 0.00 175.22 170.44 1c3t n ALA 46 N 11.01 -1.15 -0.74 11.12 0.00 -1.26 0.24 120.51 139.73 1c3t n ALA 46 Ca 0.27 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1c3t n ALA 46 Cb 0.45 -3.80 0.00 0.00 0.00 0.00 0.00 19.45 16.11 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 -1.48 0.76 3.53 0.00 0.00 -0.95 -5.03 105.19 102.02 1c3t n GLY 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.26 3.82 -0.16 1.61 2.20 0.14 -5.01 119.74 122.07 1c3t s LYS 48 Ca 0.00 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 1c3t s LYS 48 Cb 0.00 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1c3t s LYS 48 CO 0.00 -0.16 1.22 -1.14 -0.36 0.00 0.00 175.35 174.91 1c3t s GLN 49 N 1.61 4.25 0.08 4.03 0.74 -1.26 0.17 119.66 129.28 1c3t s GLN 49 Ca 0.07 1.62 -0.30 0.00 0.05 0.00 0.00 55.36 56.79 1c3t s GLN 49 Cb -0.15 -3.73 -0.06 0.00 1.10 0.00 0.00 33.01 30.17 1c3t s GLN 49 CO 0.07 -0.67 1.15 -0.51 -0.55 0.00 0.00 175.29 174.78 1c3t s LEU 50 N 3.33 4.40 -0.21 3.68 1.43 -0.15 -4.98 118.68 126.19 1c3t s LEU 50 Ca 0.53 2.00 -0.14 0.00 -1.03 0.00 0.00 54.13 55.49 1c3t s LEU 50 Cb -0.21 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 1c3t s LEU 50 CO 0.14 -0.39 0.32 -1.61 0.23 0.00 0.00 176.35 175.04 1c3t s GLU 51 N 0.70 4.14 -0.65 1.70 2.02 -1.26 -4.84 118.70 120.51 1c3t s GLU 51 Ca 0.56 0.05 -0.27 0.00 0.02 0.00 0.00 54.97 55.33 1c3t s GLU 51 Cb -0.29 -3.53 -0.12 0.00 0.10 0.00 0.00 34.13 30.29 1c3t s GLU 51 CO 0.31 0.00 2.48 -3.47 0.02 0.00 0.00 175.26 174.60 1c3t n ASP 52 N 4.38 1.69 0.00 -0.19 2.03 -1.26 -1.07 116.55 122.13 1c3t n ASP 52 Ca -0.11 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.80 1c3t n ASP 52 Cb 0.51 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 6.17 0.68 3.86 0.27 0.00 -1.26 -4.92 105.19 109.99 1c3t n GLY 53 Ca 0.46 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 3.87 0.04 1.61 1.81 -0.23 -4.80 118.95 121.24 1c3t s ARG 54 Ca 0.00 0.34 -0.18 0.00 -1.72 0.00 0.00 55.73 54.17 1c3t s ARG 54 Cb 0.00 -2.84 -0.06 0.00 -0.45 0.00 0.00 34.95 31.60 1c3t s ARG 54 CO 0.00 0.43 0.52 0.95 -0.68 0.00 0.00 175.30 176.53 1c3t s THR 55 N -1.59 4.85 0.44 0.02 -4.23 -1.26 -0.84 115.64 113.04 1c3t s THR 55 Ca 0.41 1.11 0.30 0.00 -1.18 0.00 0.00 61.69 62.33 1c3t s THR 55 Cb -0.13 -3.85 0.49 0.00 1.34 0.00 0.00 72.50 70.35 1c3t s THR 55 CO 0.20 0.54 1.62 -0.07 -0.54 0.00 0.00 174.62 176.37 1c3t h LEU 56 N 4.76 0.24 -1.19 4.79 3.38 -1.37 1.86 115.31 127.79 1c3t h LEU 56 Ca -0.49 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1c3t h LEU 56 Cb 1.21 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 1c3t h LEU 56 CO 0.64 -0.19 -0.08 -1.28 0.09 0.00 0.00 178.44 177.62 1c3t h SER 57 N 0.08 0.45 -0.27 -0.43 0.87 -1.58 -2.24 113.55 110.42 1c3t h SER 57 Ca 0.83 -0.10 0.08 0.00 -1.23 0.00 0.00 61.79 61.37 1c3t h SER 57 Cb 2.61 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 64.44 1c3t h SER 57 CO -0.42 0.57 0.23 0.44 -0.53 0.00 0.00 176.83 177.12 1c3t h ASP 58 N 0.44 0.00 -0.87 6.23 3.32 0.26 0.92 116.42 126.73 1c3t h ASP 58 Ca 0.09 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.69 1c3t h ASP 58 Cb 0.41 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.70 1c3t h ASP 58 CO 0.02 0.00 0.51 -1.22 -1.72 0.00 0.00 179.24 176.83 1c3t n TYR 59 N -4.14 2.69 -4.38 4.55 4.01 -0.87 -4.91 117.16 114.10 1c3t n TYR 59 Ca 0.04 -1.79 -0.39 0.00 -0.16 0.00 0.00 57.90 55.59 1c3t n TYR 59 Cb 0.38 -0.86 -0.08 0.00 -0.31 0.00 0.00 39.34 38.48 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 -1.12 -1.39 -4.74 7.72 6.94 0.32 -4.82 115.26 118.16 1c3t n ASN 60 Ca 0.54 -1.19 -0.37 0.00 -0.02 0.00 0.00 54.58 53.54 1c3t n ASN 60 Cb 1.55 -1.52 0.06 0.00 -2.36 0.00 0.00 39.78 37.50 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 -6.98 3.65 0.00 -4.53 2.01 -1.04 -5.04 118.68 106.75 1c3t s LEU 61 Ca 0.69 2.60 0.00 0.00 0.01 0.00 0.00 54.13 57.44 1c3t s LEU 61 Cb -0.40 -4.55 -0.00 0.00 0.01 0.00 0.00 46.19 41.25 1c3t s LEU 61 CO 0.98 -1.83 0.01 0.00 1.01 0.00 0.00 176.35 176.51 1c3t n GLN 62 N -1.67 0.79 -2.32 1.70 6.02 -1.26 -4.90 117.38 115.74 1c3t n GLN 62 Ca 0.14 -3.56 -0.43 0.00 -0.01 0.00 0.00 57.00 53.15 1c3t n GLN 62 Cb 0.48 1.03 -0.02 0.00 1.02 0.00 0.00 30.24 32.74 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 -3.75 4.26 -0.25 -1.09 2.20 -1.26 -4.14 119.74 115.72 1c3t s LYS 63 Ca 0.02 1.81 -0.08 0.00 -0.36 0.00 0.00 55.97 57.36 1c3t s LYS 63 Cb 0.00 -3.71 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1c3t s LYS 63 CO 0.01 -0.64 0.29 0.39 -0.36 0.00 0.00 175.35 175.04 1c3t n GLU 64 N 6.11 -1.61 -4.69 4.03 1.02 -0.47 -4.98 120.64 120.06 1c3t n GLU 64 Ca 0.14 1.58 -0.33 0.00 -0.02 0.00 0.00 57.16 58.53 1c3t n GLU 64 Cb 0.45 -3.97 -0.12 0.00 -0.02 0.00 0.00 31.44 27.77 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 -1.77 4.43 -0.56 1.62 0.01 -1.26 -4.89 113.70 111.28 1c3t s SER 65 Ca 0.12 -0.11 -0.17 0.00 1.31 0.00 0.00 55.95 57.09 1c3t s SER 65 Cb -0.03 -1.20 0.12 0.00 0.21 0.00 0.00 66.02 65.11 1c3t s SER 65 CO 0.47 0.31 0.59 -0.89 0.41 0.00 0.00 173.24 174.14 1c3t s THR 66 N -0.53 5.03 0.06 1.44 2.01 -1.26 -0.59 115.64 121.81 1c3t s THR 66 Ca 0.08 -1.25 0.02 0.00 0.31 0.00 0.00 61.69 60.85 1c3t s THR 66 Cb -0.12 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 1c3t s THR 66 CO 0.02 -0.98 0.09 -0.63 -0.69 0.00 0.00 174.62 172.43 1c3t s ILE 67 N 2.11 4.62 -0.19 1.82 1.09 -0.94 -4.48 121.20 125.23 1c3t s ILE 67 Ca 0.07 -0.67 -0.13 0.00 -1.10 0.00 0.00 60.65 58.82 1c3t s ILE 67 Cb -0.27 -3.21 -0.05 0.00 -1.06 0.00 0.00 42.46 37.88 1c3t s ILE 67 CO 0.05 0.17 0.25 -1.00 -0.10 0.00 0.00 174.94 174.31 1c3t s HIS 68 N -1.36 3.41 -0.14 3.97 3.76 -1.24 -2.07 115.29 121.61 1c3t s HIS 68 Ca 0.28 0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 55.66 1c3t s HIS 68 Cb -0.12 -2.32 -0.01 0.00 1.11 0.00 0.00 32.58 31.23 1c3t s HIS 68 CO 0.21 0.17 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.99 1c3t s LEU 69 N 0.70 2.77 0.00 0.89 2.96 0.41 -0.96 118.68 125.46 1c3t s LEU 69 Ca 0.14 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1c3t s LEU 69 Cb -0.13 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.92 1c3t s LEU 69 CO 0.03 0.14 0.00 0.52 -1.32 0.00 0.00 176.35 175.73 1c3t n VAL 70 N 3.69 0.00 -4.47 1.68 0.31 -0.30 -4.13 118.33 115.12 1c3t n VAL 70 Ca -0.18 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.92 1c3t n VAL 70 Cb 0.52 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.32 1c3t n VAL 70 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1c3t s LEU 71 N 0.00 2.20 0.62 7.52 0.20 -1.26 -1.68 118.68 126.27 1c3t s LEU 71 Ca 0.00 -0.54 -0.16 0.00 0.69 0.00 0.00 54.13 54.12 1c3t s LEU 71 Cb 0.00 -0.82 -0.02 0.00 -0.43 0.00 0.00 46.19 44.91 1c3t s LEU 71 CO 0.00 0.09 1.10 -0.60 -0.29 0.00 0.00 176.35 176.65 1c3t s ARG 72 N -1.33 3.05 0.46 1.98 3.52 -1.26 -4.91 118.95 120.46 1c3t s ARG 72 Ca 0.05 1.40 -0.23 0.00 -0.13 0.00 0.00 55.73 56.82 1c3t s ARG 72 Cb -0.09 -1.98 -0.10 0.00 -1.56 0.00 0.00 34.95 31.22 1c3t s ARG 72 CO 0.02 -1.06 0.96 1.28 -0.81 0.00 0.00 175.30 175.69 1c3t n LEU 73 N -2.06 2.57 -4.06 -0.88 7.99 -1.26 -4.96 117.00 114.34 1c3t n LEU 73 Ca 0.10 0.98 -0.35 0.00 -0.01 0.00 0.00 56.01 56.73 1c3t n LEU 73 Cb 0.52 -1.34 -0.11 0.00 -0.11 0.00 0.00 43.42 42.38 1c3t n LEU 73 CO 0.46 -1.69 -0.05 -0.60 -1.51 0.00 0.00 177.39 174.01 1c3t s ARG 74 N -2.12 2.33 0.00 3.23 3.00 -1.26 -4.79 118.95 119.34 1c3t s ARG 74 Ca 0.65 -2.47 0.00 0.00 -1.00 0.00 0.00 55.73 52.91 1c3t s ARG 74 Cb -0.53 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 30.83 1c3t s ARG 74 CO 0.55 -1.14 0.00 0.41 0.00 0.00 0.00 175.30 175.12 1c3t n GLY 75 N 3.51 -0.59 0.00 8.12 0.00 -1.26 -5.34 105.19 109.64 1c3t n GLY 75 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93