#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l2h n ASP 2 N 0.00 0.00 -0.30 1.61 5.75 -1.26 -3.79 116.55 118.57 3l2h n ASP 2 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.81 3l2h n ASP 2 Cb 0.00 -0.04 0.05 0.00 -1.03 0.00 0.00 41.12 40.11 3l2h n ASP 2 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3l2h n THR 3 N 0.21 0.49 -0.11 2.12 -2.24 -1.26 -4.59 114.28 108.89 3l2h n THR 3 Ca 0.00 -0.74 0.16 0.00 -2.27 0.00 0.00 64.05 61.20 3l2h n THR 3 Cb 0.00 0.82 0.55 0.00 -2.10 0.00 0.00 70.33 69.60 3l2h n THR 3 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3l2h h ARG 4 N 1.16 0.31 0.00 -0.78 9.65 -1.96 -2.13 114.38 120.63 3l2h h ARG 4 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3l2h h ARG 4 Cb 0.44 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3l2h h ARG 4 CO 0.00 0.20 0.00 1.57 2.80 0.00 0.00 179.97 184.54 3l2h h LYS 5 N 0.32 0.00 0.00 0.20 2.10 -1.94 -2.11 116.57 115.14 3l2h h LYS 5 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3l2h h LYS 5 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 3l2h h LYS 5 CO -0.09 0.00 0.00 -0.07 -2.00 0.00 0.00 179.45 177.29 3l2h h LEU 6 N 0.00 0.00 -9.05 7.07 3.38 -1.71 -3.43 115.31 111.57 3l2h h LEU 6 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3l2h h LEU 6 Cb 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.87 3l2h h LEU 6 CO 0.00 0.00 -0.42 -0.22 0.09 0.00 0.00 178.44 177.89 3l2h s LEU 7 N -4.98 4.10 -0.35 1.67 2.96 -0.79 -4.94 118.68 116.35 3l2h s LEU 7 Ca 0.08 0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.13 3l2h s LEU 7 Cb 0.10 -2.22 0.06 0.00 0.50 0.00 0.00 46.19 44.64 3l2h s LEU 7 CO 0.58 -0.00 0.11 -0.76 -1.32 0.00 0.00 176.35 174.95 3l2h s LEU 8 N 1.32 4.45 0.84 -0.68 1.43 -1.26 -5.01 118.68 119.77 3l2h s LEU 8 Ca 0.10 -1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 51.71 3l2h s LEU 8 Cb -0.14 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.35 3l2h s LEU 8 CO 0.07 -0.37 1.09 0.42 0.23 0.00 0.00 176.35 177.79 3l2h s THR 9 N 1.31 2.93 0.26 5.49 -4.23 -1.26 -4.79 115.64 115.34 3l2h s THR 9 Ca -0.00 0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 3l2h s THR 9 Cb -0.21 -2.74 0.25 0.00 1.34 0.00 0.00 72.50 71.14 3l2h s THR 9 CO 0.00 -0.39 1.70 0.00 -0.54 0.00 0.00 174.62 175.40 3l2h h ALA 10 N -1.39 1.15 -0.34 3.99 0.00 -1.99 0.26 119.26 120.94 3l2h h ALA 10 Ca -0.46 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3l2h h ALA 10 Cb 1.26 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3l2h h ALA 10 CO 0.52 -0.29 -0.18 1.96 0.00 0.00 0.00 179.25 181.25 3l2h h GLN 11 N 0.38 0.72 -0.99 0.00 1.08 -1.99 -0.81 115.11 113.49 3l2h h GLN 11 Ca 0.46 -0.32 0.06 0.00 -1.45 0.00 0.00 58.65 57.40 3l2h h GLN 11 Cb 0.79 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.14 3l2h h GLN 11 CO -0.48 0.93 0.65 0.93 -0.95 0.00 0.00 178.83 179.91 3l2h h GLU 12 N 0.49 1.15 -0.10 1.46 5.08 -1.57 -1.20 114.58 119.89 3l2h h GLU 12 Ca 0.07 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3l2h h GLU 12 Cb 0.73 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3l2h h GLU 12 CO 0.05 0.76 -0.02 0.82 -1.00 0.00 0.00 179.01 179.62 3l2h h ILE 13 N 1.19 1.29 -0.82 3.13 2.04 -0.77 -3.00 117.51 120.56 3l2h h ILE 13 Ca 0.42 -0.95 0.16 0.00 1.00 0.00 0.00 64.86 65.49 3l2h h ILE 13 Cb 0.13 1.73 -0.10 0.00 -0.74 0.00 0.00 36.82 37.83 3l2h h ILE 13 CO -0.16 0.27 0.37 -1.28 0.00 0.00 0.00 178.15 177.35 3l2h h SER 14 N -0.14 0.38 -1.41 1.72 0.87 -0.79 -3.45 113.55 110.73 3l2h h SER 14 Ca 0.02 0.11 -0.68 0.00 -1.23 0.00 0.00 61.79 60.01 3l2h h SER 14 Cb 0.43 0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 62.34 3l2h h SER 14 CO 0.01 0.12 1.72 -0.13 -0.53 0.00 0.00 176.83 178.02 3l2h s ARG 15 N -5.97 3.91 0.00 2.24 1.81 -0.49 -5.07 118.95 115.38 3l2h s ARG 15 Ca -0.12 -1.98 0.00 0.00 -1.72 0.00 0.00 55.73 51.91 3l2h s ARG 15 Cb 0.22 -5.32 0.00 0.00 -0.45 0.00 0.00 34.95 29.40 3l2h s ARG 15 CO 0.77 -2.07 0.00 1.17 -0.68 0.00 0.00 175.30 174.49 3l2h n LYS 17 N 7.55 0.85 -0.13 3.54 4.81 -1.26 -5.09 118.16 128.43 3l2h n LYS 17 Ca 0.40 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.86 3l2h n LYS 17 Cb 0.46 -0.88 -0.00 0.00 0.02 0.00 0.00 35.03 34.63 3l2h n LYS 17 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3l2h n GLY 18 N 2.82 -1.98 3.29 3.14 0.00 -1.26 -4.87 105.19 106.33 3l2h n GLY 18 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 3l2h n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3l2h s GLU 19 N -0.50 2.06 -0.35 1.61 2.02 0.12 -4.88 118.70 118.79 3l2h s GLU 19 Ca 0.00 -0.89 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 3l2h s GLU 19 Cb 0.00 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.27 3l2h s GLU 19 CO 0.00 0.52 1.33 -1.58 0.02 0.00 0.00 175.26 175.55 3l2h s HIS 20 N -0.54 2.60 -0.10 1.61 5.65 -1.26 -0.57 115.29 122.68 3l2h s HIS 20 Ca 0.08 0.80 0.04 0.00 0.25 0.00 0.00 55.06 56.23 3l2h s HIS 20 Cb -0.10 -4.07 0.00 0.00 -1.18 0.00 0.00 32.58 27.24 3l2h s HIS 20 CO -0.01 -1.78 -0.23 0.15 -0.65 0.00 0.00 174.74 172.22 3l2h s LYS 21 N 4.43 2.93 -0.14 2.88 1.02 0.18 -4.98 119.74 126.05 3l2h s LYS 21 Ca 0.57 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.73 3l2h s LYS 21 Cb -0.15 -2.22 -0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3l2h s LYS 21 CO 0.27 0.17 -0.16 0.08 -0.92 0.00 0.00 175.35 174.78 3l2h s VAL 22 N 0.37 2.64 0.35 3.17 1.01 -1.26 -1.44 120.40 125.23 3l2h s VAL 22 Ca -0.19 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 3l2h s VAL 22 Cb -0.18 -2.10 -0.11 0.00 0.00 0.00 0.00 36.38 34.00 3l2h s VAL 22 CO 0.09 0.52 1.41 -2.28 0.00 0.00 0.00 175.10 174.84 3l2h s HIS 23 N 0.69 2.81 -0.42 5.22 2.46 -0.31 -4.88 115.29 120.87 3l2h s HIS 23 Ca -0.08 1.26 0.23 0.00 0.47 0.00 0.00 55.06 56.93 3l2h s HIS 23 Cb -0.16 -3.87 1.02 0.00 -0.13 0.00 0.00 32.58 29.44 3l2h s HIS 23 CO 0.02 -2.50 1.69 1.97 -2.47 0.00 0.00 174.74 173.44 3l2h n PHE 24 N 0.76 0.77 0.13 3.88 -1.74 -1.26 -1.81 117.46 118.19 3l2h n PHE 24 Ca 0.01 0.33 0.02 0.00 -0.56 0.00 0.00 57.45 57.24 3l2h n PHE 24 Cb 0.40 -1.03 0.01 0.00 1.52 0.00 0.00 39.48 40.39 3l2h n PHE 24 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3l2h n LEU 25 N -2.23 1.31 -3.42 5.98 4.77 -1.26 -4.94 117.00 117.22 3l2h n LEU 25 Ca 0.01 -1.04 -0.19 0.00 -0.03 0.00 0.00 56.01 54.76 3l2h n LEU 25 Cb 0.17 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 3l2h n LEU 25 CO 0.17 0.30 -0.20 0.21 -1.33 0.00 0.00 177.39 176.53 3l2h s ASN 26 N -0.30 1.92 0.64 -1.43 3.84 -0.75 -4.99 114.94 113.87 3l2h s ASN 26 Ca 0.04 -0.91 0.42 0.00 0.21 0.00 0.00 52.86 52.63 3l2h s ASN 26 Cb 0.03 0.38 2.26 0.00 -0.55 0.00 0.00 41.25 43.37 3l2h s ASN 26 CO 0.04 -0.39 2.30 -0.65 -2.79 0.00 0.00 177.10 175.61 3l2h h PRO 27 N 8.19 0.00 -0.00 0.43 0.11 -1.92 -0.20 132.00 138.60 3l2h h PRO 27 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3l2h h PRO 27 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3l2h h PRO 27 CO 0.34 0.00 -0.14 0.41 -0.21 0.00 0.00 178.00 178.40 3l2h n GLY 28 N -0.97 -1.39 3.43 -0.55 0.00 -1.26 -4.56 105.19 99.90 3l2h n GLY 28 Ca -0.03 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 3l2h n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3l2h s ALA 29 N -2.95 3.53 -0.06 4.61 0.00 -0.09 -1.38 121.76 125.43 3l2h s ALA 29 Ca 0.15 -2.90 0.03 0.00 0.00 0.00 0.00 51.96 49.24 3l2h s ALA 29 Cb 0.19 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3l2h s ALA 29 CO 0.57 -2.85 -0.15 0.08 0.00 0.00 0.00 175.76 173.40 3l2h s VAL 30 N 2.18 1.35 0.12 0.00 1.01 -1.12 -1.16 120.40 122.77 3l2h s VAL 30 Ca 0.31 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 3l2h s VAL 30 Cb -0.06 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.18 3l2h s VAL 30 CO -0.09 0.40 0.43 0.00 0.00 0.00 0.00 175.10 175.84 3l2h s ARG 31 N 0.33 1.08 -0.22 2.72 1.70 -0.52 -4.55 118.95 119.47 3l2h s ARG 31 Ca -0.10 -0.63 -0.16 0.00 -0.47 0.00 0.00 55.73 54.37 3l2h s ARG 31 Cb -0.14 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 3l2h s ARG 31 CO 0.03 -0.42 0.42 0.08 -1.08 0.00 0.00 175.30 174.34 3l2h s VAL 32 N -3.63 5.16 -0.23 4.99 1.01 -0.61 -0.65 120.40 126.45 3l2h s VAL 32 Ca 0.02 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 3l2h s VAL 32 Cb 0.01 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3l2h s VAL 32 CO -0.11 0.20 -0.05 0.21 0.00 0.00 0.00 175.10 175.35 3l2h s ASN 33 N 1.25 4.28 -0.41 3.32 2.47 0.26 -1.27 114.94 124.86 3l2h s ASN 33 Ca 0.19 -0.60 -0.09 0.00 0.42 0.00 0.00 52.86 52.78 3l2h s ASN 33 Cb -0.15 -1.71 0.07 0.00 -1.45 0.00 0.00 41.25 38.01 3l2h s ASN 33 CO 0.09 -0.07 0.24 -0.54 -3.72 0.00 0.00 177.10 173.10 3l2h s LYS 34 N 1.42 2.64 -0.78 0.43 1.02 -0.10 0.16 119.74 124.52 3l2h s LYS 34 Ca 0.04 -1.38 -0.25 0.00 0.02 0.00 0.00 55.97 54.40 3l2h s LYS 34 Cb -0.15 -3.75 0.05 0.00 -0.52 0.00 0.00 37.83 33.46 3l2h s LYS 34 CO -0.04 -0.89 1.22 0.45 -0.92 0.00 0.00 175.35 175.17 3l2h s SER 35 N 1.97 6.25 0.16 2.83 0.15 -1.26 -0.77 113.70 123.03 3l2h s SER 35 Ca 0.02 -0.86 -0.12 0.00 0.70 0.00 0.00 55.95 55.70 3l2h s SER 35 Cb -0.22 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.61 3l2h s SER 35 CO 0.03 -1.63 1.62 -0.07 1.20 0.00 0.00 173.24 174.39 3l2h h LEU 36 N 12.40 0.90 -0.52 3.45 3.38 -1.29 -2.17 115.31 131.46 3l2h h LEU 36 Ca -0.17 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3l2h h LEU 36 Cb 1.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3l2h h LEU 36 CO 1.27 0.97 0.29 1.23 0.09 0.00 0.00 178.44 182.29 3l2h h GLY 37 N 0.80 0.77 1.93 0.83 0.00 -1.71 -2.80 103.07 102.88 3l2h h GLY 37 Ca 0.15 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 3l2h h GLY 37 CO 0.02 0.33 -0.45 -0.55 0.00 0.00 0.00 176.54 175.88 3l2h h ASP 38 N 0.69 0.08 -0.02 0.19 3.32 -1.76 0.16 116.42 119.08 3l2h h ASP 38 Ca 0.18 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3l2h h ASP 38 Cb 0.03 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3l2h h ASP 38 CO -0.03 0.53 -0.05 0.00 -1.72 0.00 0.00 179.24 177.96 3l2h h ALA 39 N 1.48 1.67 -0.01 3.45 0.00 -1.14 -2.90 119.26 121.80 3l2h h ALA 39 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3l2h h ALA 39 Cb 0.83 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3l2h h ALA 39 CO 0.06 0.25 -0.36 1.33 0.00 0.00 0.00 179.25 180.53 3l2h n VAL 40 N -4.37 0.00 -0.35 0.00 0.24 -1.03 -4.95 118.33 107.87 3l2h n VAL 40 Ca -0.01 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3l2h n VAL 40 Cb 0.20 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 3l2h n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3l2h n GLY 41 N 1.17 0.79 3.74 7.63 0.00 -0.44 -4.86 105.19 113.23 3l2h n GLY 41 Ca 0.07 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3l2h n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3l2h s LEU 42 N 0.00 4.38 -0.09 0.99 1.43 -0.09 -4.93 118.68 120.38 3l2h s LEU 42 Ca 0.00 2.67 0.09 0.00 -1.03 0.00 0.00 54.13 55.86 3l2h s LEU 42 Cb 0.00 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.48 3l2h s LEU 42 CO 0.00 -0.72 0.04 0.54 0.23 0.00 0.00 176.35 176.45 3l2h n ARG 43 N 2.44 2.31 -1.10 1.70 1.74 -1.26 -4.47 116.66 118.02 3l2h n ARG 43 Ca 0.07 -0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 3l2h n ARG 43 Cb 0.40 -1.25 0.18 0.00 -1.02 0.00 0.00 32.46 30.77 3l2h n ARG 43 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3l2h n HIS 44 N -2.34 2.39 -3.77 -1.55 8.25 -1.26 -4.77 115.22 112.17 3l2h n HIS 44 Ca -0.15 -1.82 -0.14 0.00 -0.26 0.00 0.00 57.72 55.34 3l2h n HIS 44 Cb 0.80 -0.81 -0.15 0.00 1.12 0.00 0.00 29.99 30.95 3l2h n HIS 44 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3l2h s GLY 46 N -1.78 0.05 -0.17 -1.41 0.00 0.54 -1.32 107.32 103.22 3l2h s GLY 46 Ca 0.53 0.41 -0.02 0.00 0.00 0.00 0.00 44.72 45.63 3l2h s GLY 46 CO 0.06 0.75 0.02 -0.42 0.00 0.00 0.00 173.10 173.51 3l2h s ILE 47 N 1.04 0.61 -0.03 0.90 1.01 -1.26 -0.84 121.20 122.62 3l2h s ILE 47 Ca -0.08 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.13 3l2h s ILE 47 Cb -0.12 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3l2h s ILE 47 CO -0.04 -0.09 -0.16 -1.00 0.00 0.00 0.00 174.94 173.65 3l2h s HIS 48 N 1.83 1.60 -0.34 3.97 3.76 0.81 -0.71 115.29 126.21 3l2h s HIS 48 Ca 0.00 -0.41 -0.12 0.00 -0.15 0.00 0.00 55.06 54.37 3l2h s HIS 48 Cb -0.16 -1.07 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 3l2h s HIS 48 CO -0.07 -0.12 0.23 -1.17 -0.85 0.00 0.00 174.74 172.75 3l2h s LEU 49 N -0.07 4.51 0.05 0.89 0.20 0.05 -0.20 118.68 124.10 3l2h s LEU 49 Ca -0.01 -0.52 0.05 0.00 0.69 0.00 0.00 54.13 54.34 3l2h s LEU 49 Cb -0.10 -2.11 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 3l2h s LEU 49 CO 0.01 -0.25 -0.07 0.27 -0.29 0.00 0.00 176.35 176.02 3l2h s ILE 50 N 1.69 3.62 -0.14 6.68 -4.36 -0.07 -0.92 121.20 127.69 3l2h s ILE 50 Ca 0.05 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.50 3l2h s ILE 50 Cb -0.18 -2.63 0.02 0.00 1.25 0.00 0.00 42.46 40.92 3l2h s ILE 50 CO 0.09 0.27 -0.17 -1.10 0.24 0.00 0.00 174.94 174.27 3l2h s GLN 51 N -1.79 2.55 -0.16 0.37 -0.21 -0.39 -1.58 119.66 118.44 3l2h s GLN 51 Ca 0.20 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 54.93 3l2h s GLN 51 Cb -0.11 -2.21 0.02 0.00 1.00 0.00 0.00 33.01 31.71 3l2h s GLN 51 CO 0.11 -0.15 -0.21 0.42 -2.12 0.00 0.00 175.29 173.34 3l2h s ILE 52 N 1.21 2.06 0.57 1.08 1.01 -0.10 -1.57 121.20 125.47 3l2h s ILE 52 Ca 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 3l2h s ILE 52 Cb -0.14 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 3l2h s ILE 52 CO -0.07 0.54 0.90 -1.61 0.00 0.00 0.00 174.94 174.70 3l2h s GLU 53 N 1.10 3.13 0.22 2.79 0.41 -1.26 -1.04 118.70 124.05 3l2h s GLU 53 Ca 0.00 0.15 -0.31 0.00 -0.41 0.00 0.00 54.97 54.40 3l2h s GLU 53 Cb -0.14 -2.26 -0.14 0.00 -1.78 0.00 0.00 34.13 29.81 3l2h s GLU 53 CO -0.08 -0.59 1.31 -2.30 -0.49 0.00 0.00 175.26 173.11 3l2h n PRO 54 N -2.55 1.73 -0.67 0.39 -0.02 -1.26 -1.67 135.00 130.95 3l2h n PRO 54 Ca 0.04 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3l2h n PRO 54 Cb 0.57 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3l2h n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3l2h n GLY 55 N 2.04 0.83 3.76 -1.23 0.00 0.14 -5.02 105.19 105.72 3l2h n GLY 55 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3l2h n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l2h s LYS 56 N -0.33 2.26 0.28 1.61 -0.14 -0.67 -4.93 119.74 117.82 3l2h s LYS 56 Ca 0.00 -1.84 0.05 0.00 -1.36 0.00 0.00 55.97 52.82 3l2h s LYS 56 Cb 0.00 -2.01 -0.06 0.00 -1.68 0.00 0.00 37.83 34.08 3l2h s LYS 56 CO 0.00 -0.17 -0.02 -1.21 -0.76 0.00 0.00 175.35 173.20 3l2h s GLU 57 N -3.95 1.54 0.36 1.68 2.02 -0.48 -0.70 118.70 119.18 3l2h s GLU 57 Ca 0.40 -1.80 0.21 0.00 0.02 0.00 0.00 54.97 53.80 3l2h s GLU 57 Cb 0.03 -1.00 0.22 0.00 0.10 0.00 0.00 34.13 33.48 3l2h s GLU 57 CO 0.22 -0.04 1.49 0.66 0.02 0.00 0.00 175.26 177.61 3l2h h SER 58 N 2.26 0.00 -5.69 -0.19 4.64 -0.90 -2.97 113.55 110.69 3l2h h SER 58 Ca -0.40 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.21 3l2h h SER 58 Cb 1.23 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 3l2h h SER 58 CO 0.68 0.14 0.79 0.28 -0.87 0.00 0.00 176.83 177.85 3l2h s THR 59 N -3.16 0.00 -0.11 2.95 -1.32 -1.26 -4.91 115.64 107.83 3l2h s THR 59 Ca 0.05 -0.31 -0.21 0.00 -1.21 0.00 0.00 61.69 60.02 3l2h s THR 59 Cb 0.06 -2.73 -0.04 0.00 -1.51 0.00 0.00 72.50 68.28 3l2h s THR 59 CO 0.71 0.00 0.59 -0.70 -2.21 0.00 0.00 174.62 173.01 3l2h s GLU 60 N -2.18 4.35 -0.41 7.08 2.56 -1.26 -4.71 118.70 124.13 3l2h s GLU 60 Ca 0.24 0.65 -0.38 0.00 0.00 0.00 0.00 54.97 55.48 3l2h s GLU 60 Cb -0.00 -3.47 -0.16 0.00 2.00 0.00 0.00 34.13 32.50 3l2h s GLU 60 CO 0.00 0.04 1.49 0.98 -0.56 0.00 0.00 175.26 177.22 3l2h n TYR 61 N 3.99 1.26 -3.80 5.30 9.36 -1.26 -4.88 117.16 127.12 3l2h n TYR 61 Ca -0.04 0.83 -0.09 0.00 3.32 0.00 0.00 57.90 61.92 3l2h n TYR 61 Cb 0.51 -1.86 -0.06 0.00 -0.63 0.00 0.00 39.34 37.30 3l2h n TYR 61 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 3l2h s HIS 62 N 3.42 0.08 -0.04 2.98 -3.43 -0.82 -4.01 115.29 113.47 3l2h s HIS 62 Ca 0.91 -0.46 -0.01 0.00 -0.80 0.00 0.00 55.06 54.70 3l2h s HIS 62 Cb -1.24 0.06 0.03 0.00 -1.43 0.00 0.00 32.58 30.01 3l2h s HIS 62 CO 0.62 -0.65 0.03 -1.17 -2.00 0.00 0.00 174.74 171.57 3l2h s LEU 63 N -2.87 0.55 0.05 5.38 2.96 -0.42 -1.49 118.68 122.84 3l2h s LEU 63 Ca 0.07 0.01 -0.22 0.00 -0.22 0.00 0.00 54.13 53.77 3l2h s LEU 63 Cb 0.03 -0.23 -0.06 0.00 0.50 0.00 0.00 46.19 46.43 3l2h s LEU 63 CO -0.09 -0.19 0.65 -1.00 -1.32 0.00 0.00 176.35 174.40 3l2h s HIS 64 N 1.79 3.76 -0.04 5.38 3.76 -1.26 -1.10 115.29 127.57 3l2h s HIS 64 Ca 0.01 1.34 0.13 0.00 -0.15 0.00 0.00 55.06 56.38 3l2h s HIS 64 Cb -0.12 -2.65 -0.20 0.00 1.11 0.00 0.00 32.58 30.71 3l2h s HIS 64 CO -0.03 0.41 0.80 0.45 -0.85 0.00 0.00 174.74 175.52 3l2h h HIS 65 N 5.20 0.00 0.00 1.40 -0.00 -1.37 -1.33 115.15 119.05 3l2h h HIS 65 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 3l2h h HIS 65 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 3l2h h HIS 65 CO 0.66 0.90 -0.77 0.66 -0.00 0.00 0.00 177.93 179.38 3l2h n TYR 66 N -3.06 0.00 -3.12 2.45 4.01 -1.26 -4.50 117.16 111.67 3l2h n TYR 66 Ca -0.13 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.21 3l2h n TYR 66 Cb 0.99 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.96 3l2h n TYR 66 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3l2h s GLU 67 N -1.77 4.18 0.68 -0.72 2.02 -1.26 -4.91 118.70 116.92 3l2h s GLU 67 Ca 0.00 0.58 -0.14 0.00 0.02 0.00 0.00 54.97 55.43 3l2h s GLU 67 Cb 0.00 -3.60 0.01 0.00 0.10 0.00 0.00 34.13 30.64 3l2h s GLU 67 CO 0.00 -0.28 1.10 -1.21 0.02 0.00 0.00 175.26 174.89 3l2h s GLU 68 N 2.06 2.70 0.02 1.61 2.02 -1.26 -4.72 118.70 121.13 3l2h s GLU 68 Ca 0.28 1.32 -0.15 0.00 0.02 0.00 0.00 54.97 56.44 3l2h s GLU 68 Cb -0.16 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.15 3l2h s GLU 68 CO 0.10 -1.32 0.33 -2.00 0.02 0.00 0.00 175.26 172.39 3l2h s GLU 69 N -4.30 0.79 0.18 1.61 2.12 -1.13 -1.94 118.70 116.02 3l2h s GLU 69 Ca 0.65 -0.37 -0.15 0.00 0.36 0.00 0.00 54.97 55.46 3l2h s GLU 69 Cb -0.19 0.35 0.02 0.00 0.26 0.00 0.00 34.13 34.56 3l2h s GLU 69 CO 0.45 -0.25 0.45 0.00 -0.54 0.00 0.00 175.26 175.37 3l2h s ALA 70 N -2.14 -0.71 -0.06 6.30 0.00 0.55 -0.20 121.76 125.51 3l2h s ALA 70 Ca -0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 3l2h s ALA 70 Cb -0.02 0.83 0.03 0.00 0.00 0.00 0.00 23.12 23.96 3l2h s ALA 70 CO -0.01 -0.74 0.14 0.08 0.00 0.00 0.00 175.76 175.23 3l2h s VAL 71 N -3.89 -0.03 -0.15 0.00 1.01 0.17 -1.11 120.40 116.40 3l2h s VAL 71 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3l2h s VAL 71 Cb 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.18 3l2h s VAL 71 CO -0.03 0.05 -0.15 -0.47 0.00 0.00 0.00 175.10 174.50 3l2h s TYR 72 N 0.76 2.23 -0.02 5.22 5.04 -0.32 -1.36 117.35 128.91 3l2h s TYR 72 Ca -0.06 -1.27 -0.29 0.00 -2.44 0.00 0.00 57.07 53.01 3l2h s TYR 72 Cb -0.07 -1.63 -0.03 0.00 0.35 0.00 0.00 41.96 40.58 3l2h s TYR 72 CO -0.04 -0.69 0.96 0.08 -1.34 0.00 0.00 175.55 174.53 3l2h s VAL 73 N 1.47 4.87 -0.24 3.14 1.01 -0.41 -0.61 120.40 129.63 3l2h s VAL 73 Ca 0.05 2.02 -0.01 0.00 0.00 0.00 0.00 61.98 64.04 3l2h s VAL 73 Cb -0.13 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.81 3l2h s VAL 73 CO -0.11 0.15 -0.23 0.18 0.00 0.00 0.00 175.10 175.09 3l2h n LEU 74 N 4.03 2.77 -3.52 3.92 4.77 0.34 -0.65 117.00 128.65 3l2h n LEU 74 Ca 0.06 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 3l2h n LEU 74 Cb 0.51 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 3l2h n LEU 74 CO 0.52 0.83 0.30 -0.94 -1.33 0.00 0.00 177.39 176.77 3l2h s SER 75 N -6.47 -0.44 0.02 -1.43 1.04 -0.97 -4.75 113.70 100.70 3l2h s SER 75 Ca -0.32 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3l2h s SER 75 Cb 0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3l2h s SER 75 CO 0.53 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.49 3l2h n GLY 76 N -0.11 -2.23 2.93 7.32 0.00 -1.25 -0.67 105.19 111.17 3l2h n GLY 76 Ca -0.17 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 3l2h n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l2h s LYS 77 N -1.01 0.20 0.16 1.61 1.02 -1.26 -3.73 119.74 116.73 3l2h s LYS 77 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 55.80 3l2h s LYS 77 Cb 0.00 -0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.19 3l2h s LYS 77 CO 0.00 0.03 0.18 0.41 -0.92 0.00 0.00 175.35 175.04 3l2h n GLY 78 N 2.68 3.10 2.97 -3.33 0.00 -0.64 -4.45 105.19 105.52 3l2h n GLY 78 Ca -0.15 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 3l2h n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3l2h s THR 79 N -2.61 1.32 -0.26 2.61 2.01 -0.23 -1.15 115.64 117.33 3l2h s THR 79 Ca 0.16 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 3l2h s THR 79 Cb 0.00 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 3l2h s THR 79 CO 0.11 0.42 0.54 -0.22 -0.69 0.00 0.00 174.62 174.78 3l2h s LEU 80 N 1.54 4.06 0.34 4.42 2.96 0.61 -0.81 118.68 131.79 3l2h s LEU 80 Ca 0.04 0.56 0.07 0.00 -0.22 0.00 0.00 54.13 54.58 3l2h s LEU 80 Cb -0.13 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 3l2h s LEU 80 CO -0.09 -0.30 0.45 -0.89 -1.32 0.00 0.00 176.35 174.20 3l2h s THR 81 N 2.33 3.85 0.00 3.68 2.01 0.08 -0.07 115.64 127.51 3l2h s THR 81 Ca 0.22 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3l2h s THR 81 Cb -0.16 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.03 3l2h s THR 81 CO 0.09 -0.14 0.00 -0.62 -0.69 0.00 0.00 174.62 173.26 3l2h n GLU 83 N -1.61 0.00 -0.22 4.92 -0.58 -0.55 -1.50 120.64 121.10 3l2h n GLU 83 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.68 3l2h n GLU 83 Cb 0.58 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.49 3l2h n GLU 83 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3l2h h ASN 84 N 0.00 0.77 -3.98 1.62 -0.26 -2.03 -3.47 115.58 108.23 3l2h h ASN 84 Ca 0.00 -0.10 -0.48 0.00 -0.56 0.00 0.00 56.30 55.16 3l2h h ASN 84 Cb 0.00 -0.20 0.01 0.00 -1.06 0.00 0.00 38.32 37.07 3l2h h ASN 84 CO 0.00 0.64 0.26 -1.81 -1.06 0.00 0.00 177.43 175.47 3l2h s ASP 85 N -5.93 6.59 -0.06 5.81 1.01 -1.26 -5.09 116.67 117.75 3l2h s ASP 85 Ca -0.13 1.39 0.05 0.00 0.71 0.00 0.00 52.55 54.57 3l2h s ASP 85 Cb 0.13 -2.43 -0.02 0.00 1.01 0.00 0.00 42.92 41.61 3l2h s ASP 85 CO 0.78 -0.50 -0.20 -1.10 0.21 0.00 0.00 175.17 174.36 3l2h s GLN 86 N -3.93 2.53 -0.04 8.23 1.11 -1.26 -4.26 119.66 122.05 3l2h s GLN 86 Ca 0.56 -0.82 0.01 0.00 0.01 0.00 0.00 55.36 55.12 3l2h s GLN 86 Cb -0.10 -2.26 0.02 0.00 -1.01 0.00 0.00 33.01 29.66 3l2h s GLN 86 CO 0.30 0.48 -0.05 0.71 0.01 0.00 0.00 175.29 176.74 3l2h s TYR 87 N -0.39 0.75 0.43 0.91 1.51 0.89 -4.97 117.35 116.49 3l2h s TYR 87 Ca 0.03 -0.20 -0.24 0.00 -1.01 0.00 0.00 57.07 55.66 3l2h s TYR 87 Cb -0.12 -0.63 -0.08 0.00 -0.11 0.00 0.00 41.96 41.02 3l2h s TYR 87 CO 0.02 -0.16 1.15 -1.25 -1.11 0.00 0.00 175.55 174.19 3l2h s PRO 88 N 0.71 3.93 0.14 -1.71 0.04 -1.26 -0.29 135.00 136.56 3l2h s PRO 88 Ca -0.10 1.75 0.07 0.00 0.04 0.00 0.00 61.00 62.76 3l2h s PRO 88 Cb -0.13 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 3l2h s PRO 88 CO 0.00 -0.40 -0.17 0.96 0.04 0.00 0.00 177.00 177.43 3l2h s ILE 89 N -1.52 1.61 0.27 0.56 -4.36 -0.30 -4.84 121.20 112.63 3l2h s ILE 89 Ca 0.60 -1.78 -0.09 0.00 -0.26 0.00 0.00 60.65 59.13 3l2h s ILE 89 Cb -0.28 -1.67 -0.00 0.00 1.25 0.00 0.00 42.46 41.75 3l2h s ILE 89 CO 0.35 -0.31 0.45 0.00 0.24 0.00 0.00 174.94 175.66 3l2h s ALA 90 N -1.94 0.18 0.33 2.27 0.00 -1.26 -1.61 121.76 119.73 3l2h s ALA 90 Ca 0.12 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 3l2h s ALA 90 Cb -0.06 1.12 -0.11 0.00 0.00 0.00 0.00 23.12 24.07 3l2h s ALA 90 CO 0.05 -0.81 1.42 -2.14 0.00 0.00 0.00 175.76 174.28 3l2h s PRO 91 N -3.72 4.22 0.00 0.00 0.02 -1.24 -1.84 135.00 132.45 3l2h s PRO 91 Ca 0.26 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.69 3l2h s PRO 91 Cb 0.00 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.49 3l2h s PRO 91 CO 0.12 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3l2h n GLY 92 N 1.00 0.99 3.79 0.52 0.00 0.17 -5.00 105.19 106.67 3l2h n GLY 92 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3l2h n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3l2h s ASP 93 N -2.82 6.95 -0.02 1.61 1.01 -0.76 -4.86 116.67 117.76 3l2h s ASP 93 Ca 0.00 1.93 0.05 0.00 0.71 0.00 0.00 52.55 55.23 3l2h s ASP 93 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 3l2h s ASP 93 CO 0.00 -0.35 -0.17 0.12 0.21 0.00 0.00 175.17 174.98 3l2h s PHE 94 N -1.73 1.56 -0.04 4.23 5.36 -1.26 -1.28 117.98 124.81 3l2h s PHE 94 Ca 0.56 -0.36 0.02 0.00 -0.96 0.00 0.00 56.93 56.20 3l2h s PHE 94 Cb -0.19 -1.03 0.01 0.00 -0.34 0.00 0.00 43.02 41.48 3l2h s PHE 94 CO 0.24 -0.08 -0.09 0.54 -1.46 0.00 0.00 175.22 174.37 3l2h s VAL 95 N -0.20 0.84 0.07 3.12 0.11 -0.46 -5.01 120.40 118.87 3l2h s VAL 95 Ca 0.02 -0.34 0.09 0.00 -2.93 0.00 0.00 61.98 58.82 3l2h s VAL 95 Cb -0.08 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 3l2h s VAL 95 CO 0.00 0.28 -0.24 -0.83 -3.33 0.00 0.00 175.10 170.98 3l2h s GLY 96 N 0.51 1.34 -0.42 6.54 0.00 -1.26 -0.66 107.32 113.38 3l2h s GLY 96 Ca -0.09 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.41 3l2h s GLY 96 CO 0.01 -1.18 0.17 -1.36 0.00 0.00 0.00 173.10 170.75 3l2h s PHE 97 N -0.90 2.80 0.84 1.90 0.08 0.73 -4.99 117.98 118.43 3l2h s PHE 97 Ca 0.10 -2.71 -0.12 0.00 0.12 0.00 0.00 56.93 54.32 3l2h s PHE 97 Cb -0.10 -2.44 0.10 0.00 -0.57 0.00 0.00 43.02 40.01 3l2h s PHE 97 CO 0.03 -0.83 1.17 -2.14 -0.10 0.00 0.00 175.22 173.35 3l2h s PRO 98 N 0.50 1.51 0.30 0.24 0.02 -1.26 -2.83 135.00 133.49 3l2h s PRO 98 Ca 0.14 1.62 -0.29 0.00 0.02 0.00 0.00 61.00 62.49 3l2h s PRO 98 Cb -0.22 -1.77 -0.12 0.00 0.02 0.00 0.00 34.50 32.40 3l2h s PRO 98 CO -0.06 -2.28 1.42 0.00 -0.33 0.00 0.00 177.00 175.74 3l2h n HIS 100 N 1.24 0.00 -0.07 0.00 8.25 -0.50 -4.89 115.22 119.26 3l2h n HIS 100 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 3l2h n HIS 100 Cb 0.35 -1.60 -0.13 0.00 1.12 0.00 0.00 29.99 29.73 3l2h n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3l2h h ALA 101 N 0.00 -0.00 -1.76 -1.41 0.00 -1.73 -3.48 119.26 110.88 3l2h h ALA 101 Ca -0.02 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.48 3l2h h ALA 101 Cb 0.78 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.33 3l2h h ALA 101 CO 0.02 -0.01 0.22 0.00 0.00 0.00 0.00 179.25 179.48 3l2h s ALA 102 N -2.33 -2.06 0.40 0.00 0.00 -1.26 -5.07 121.76 111.44 3l2h s ALA 102 Ca -0.18 2.27 -0.25 0.00 0.00 0.00 0.00 51.96 53.79 3l2h s ALA 102 Cb -0.03 -1.54 -0.08 0.00 0.00 0.00 0.00 23.12 21.47 3l2h s ALA 102 CO 0.67 -0.35 1.18 0.00 0.00 0.00 0.00 175.76 177.26 3l2h s ALA 103 N 1.34 3.16 0.15 0.00 0.00 -1.26 -4.75 121.76 120.39 3l2h s ALA 103 Ca -0.08 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 3l2h s ALA 103 Cb -0.04 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.73 3l2h s ALA 103 CO -0.16 -0.55 0.46 -3.38 0.00 0.00 0.00 175.76 172.13 3l2h s HIS 104 N -1.41 -0.22 0.09 0.00 -0.00 -0.55 -1.48 115.29 111.71 3l2h s HIS 104 Ca 0.57 -0.09 -0.13 0.00 -0.00 0.00 0.00 55.06 55.42 3l2h s HIS 104 Cb -0.31 0.33 0.02 0.00 -0.00 0.00 0.00 32.58 32.61 3l2h s HIS 104 CO 0.39 -0.77 0.29 0.45 -0.00 0.00 0.00 174.74 175.10 3l2h s SER 105 N -2.81 -0.07 -0.06 7.38 0.15 -0.56 -1.94 113.70 115.78 3l2h s SER 105 Ca 0.04 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.34 3l2h s SER 105 Cb 0.01 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.70 3l2h s SER 105 CO -0.10 -0.74 -0.24 -0.63 1.20 0.00 0.00 173.24 172.73 3l2h s ILE 106 N -3.47 1.99 0.14 6.45 1.01 -1.26 -0.74 121.20 125.31 3l2h s ILE 106 Ca 0.01 -1.02 0.09 0.00 0.00 0.00 0.00 60.65 59.73 3l2h s ILE 106 Cb 0.02 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3l2h s ILE 106 CO -0.09 0.55 -0.16 -0.94 0.00 0.00 0.00 174.94 174.30 3l2h s SER 107 N -0.03 3.99 -0.51 3.58 1.04 0.01 -0.19 113.70 121.58 3l2h s SER 107 Ca -0.07 -0.57 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 3l2h s SER 107 Cb -0.14 -0.60 0.13 0.00 0.10 0.00 0.00 66.02 65.51 3l2h s SER 107 CO 0.05 0.16 0.43 0.21 0.98 0.00 0.00 173.24 175.06 3l2h s ASN 108 N -2.34 5.97 -0.29 7.02 3.84 0.12 -1.07 114.94 128.18 3l2h s ASN 108 Ca 0.20 -1.86 0.11 0.00 0.21 0.00 0.00 52.86 51.52 3l2h s ASN 108 Cb -0.10 -2.12 0.67 0.00 -0.55 0.00 0.00 41.25 39.15 3l2h s ASN 108 CO 0.12 -0.78 1.68 0.47 -2.79 0.00 0.00 177.10 175.79 3l2h n ASP 109 N 5.07 4.27 -0.09 -4.21 8.00 -1.26 0.27 116.55 128.59 3l2h n ASP 109 Ca -0.11 -3.27 0.00 0.00 0.71 0.00 0.00 54.79 52.12 3l2h n ASP 109 Cb 0.40 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 3l2h n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3l2h n GLY 110 N -0.39 1.84 0.00 0.44 0.00 -1.26 -4.93 105.19 100.88 3l2h n GLY 110 Ca 0.36 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3l2h n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3l2h n THR 111 N 0.00 0.33 -4.25 2.61 -2.24 -1.26 -4.70 114.28 104.78 3l2h n THR 111 Ca 0.00 -0.59 -0.14 0.00 -2.27 0.00 0.00 64.05 61.04 3l2h n THR 111 Cb 0.00 0.92 -0.10 0.00 -2.10 0.00 0.00 70.33 69.05 3l2h n THR 111 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3l2h s GLU 112 N -0.33 1.06 0.31 -0.78 0.41 -1.26 -4.98 118.70 113.12 3l2h s GLU 112 Ca 0.00 -1.43 -0.30 0.00 -0.41 0.00 0.00 54.97 52.83 3l2h s GLU 112 Cb 0.00 -0.65 -0.12 0.00 -1.78 0.00 0.00 34.13 31.59 3l2h s GLU 112 CO 0.00 0.08 1.58 2.41 -0.49 0.00 0.00 175.26 178.84 3l2h n THR 113 N -0.14 1.17 -3.35 3.63 -1.04 -1.26 -4.49 114.28 108.79 3l2h n THR 113 Ca -0.11 -0.29 -0.39 0.00 -2.04 0.00 0.00 64.05 61.22 3l2h n THR 113 Cb 0.60 -1.97 -0.09 0.00 -1.82 0.00 0.00 70.33 67.06 3l2h n THR 113 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3l2h s LEU 114 N -0.71 4.06 -0.17 -4.42 2.96 -0.21 -3.97 118.68 116.22 3l2h s LEU 114 Ca 0.62 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.84 3l2h s LEU 114 Cb -0.49 -2.48 -0.00 0.00 0.50 0.00 0.00 46.19 43.72 3l2h s LEU 114 CO 0.51 -0.22 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.50 3l2h s VAL 115 N 2.13 2.75 0.08 1.68 1.01 0.16 -0.92 120.40 127.28 3l2h s VAL 115 Ca 0.16 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3l2h s VAL 115 Cb -0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3l2h s VAL 115 CO 0.10 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.62 3l2h s LEU 117 N -2.41 4.20 -0.15 0.00 1.43 0.22 -0.89 118.68 121.07 3l2h s LEU 117 Ca 0.03 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3l2h s LEU 117 Cb -0.02 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 3l2h s LEU 117 CO -0.02 0.00 -0.06 -0.69 0.23 0.00 0.00 176.35 175.81 3l2h s VAL 118 N 0.92 3.59 -0.10 -1.59 1.01 0.72 -1.17 120.40 123.79 3l2h s VAL 118 Ca 0.18 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3l2h s VAL 118 Cb -0.14 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.69 3l2h s VAL 118 CO 0.07 0.49 -0.14 -0.63 0.00 0.00 0.00 175.10 174.90 3l2h s ILE 119 N 0.47 1.34 0.05 2.22 1.01 -0.27 -0.14 121.20 125.88 3l2h s ILE 119 Ca -0.05 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 3l2h s ILE 119 Cb -0.15 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.08 3l2h s ILE 119 CO 0.03 0.41 0.19 -0.83 0.00 0.00 0.00 174.94 174.74 3l2h s GLY 120 N 0.98 0.05 0.55 6.18 0.00 -0.02 -0.33 107.32 114.73 3l2h s GLY 120 Ca -0.08 -0.35 -0.17 0.00 0.00 0.00 0.00 44.72 44.12 3l2h s GLY 120 CO -0.01 -0.53 1.03 1.20 0.00 0.00 0.00 173.10 174.80 3l2h s GLN 121 N -2.75 3.60 -0.25 2.90 -0.21 -0.82 -0.34 119.66 121.79 3l2h s GLN 121 Ca -0.04 1.17 0.02 0.00 0.02 0.00 0.00 55.36 56.54 3l2h s GLN 121 Cb -0.00 -2.08 0.05 0.00 1.00 0.00 0.00 33.01 31.98 3l2h s GLN 121 CO -0.05 -0.58 -0.12 1.03 -2.12 0.00 0.00 175.29 173.45 3l2h s ARG 122 N -3.87 2.42 0.13 2.91 0.52 -0.44 -4.67 118.95 115.95 3l2h s ARG 122 Ca 0.63 -1.23 0.11 0.00 -0.52 0.00 0.00 55.73 54.72 3l2h s ARG 122 Cb -0.14 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3l2h s ARG 122 CO 0.31 -0.49 -0.26 -0.51 0.02 0.00 0.00 175.30 174.37 3l2h s LEU 123 N 1.16 2.33 0.46 2.53 1.43 -1.26 -4.73 118.68 120.59 3l2h s LEU 123 Ca -0.06 -0.75 0.19 0.00 -1.03 0.00 0.00 54.13 52.48 3l2h s LEU 123 Cb -0.18 -1.17 1.10 0.00 0.03 0.00 0.00 46.19 45.97 3l2h s LEU 123 CO -0.06 0.16 1.99 0.44 0.23 0.00 0.00 176.35 179.10 3l2h h ASP 124 N 3.85 0.00 -3.42 2.29 3.32 -1.99 -3.43 116.42 117.04 3l2h h ASP 124 Ca -0.50 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.02 3l2h h ASP 124 Cb 1.17 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.39 3l2h h ASP 124 CO 0.40 0.20 -0.82 -1.10 -1.72 0.00 0.00 179.24 176.19 3l2h s GLN 125 N -4.40 1.85 0.20 3.56 -0.21 -1.26 -0.39 119.66 119.01 3l2h s GLN 125 Ca -0.03 -0.47 -0.13 0.00 0.02 0.00 0.00 55.36 54.75 3l2h s GLN 125 Cb 0.15 -1.50 0.00 0.00 1.00 0.00 0.00 33.01 32.66 3l2h s GLN 125 CO 0.66 0.05 0.42 0.34 -2.12 0.00 0.00 175.29 174.64 3l2h s ASP 126 N 0.61 -0.09 -0.04 5.90 2.15 -0.14 -4.81 116.67 120.24 3l2h s ASP 126 Ca -0.15 -0.76 0.01 0.00 0.43 0.00 0.00 52.55 52.09 3l2h s ASP 126 Cb -0.16 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.00 3l2h s ASP 126 CO 0.04 -1.01 -0.06 -0.69 -0.17 0.00 0.00 175.17 173.27 3l2h s VAL 127 N -3.95 0.67 -0.06 1.11 1.01 -1.26 -0.65 120.40 117.27 3l2h s VAL 127 Ca 0.16 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3l2h s VAL 127 Cb 0.01 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.75 3l2h s VAL 127 CO 0.02 0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.57 3l2h s VAL 128 N 0.76 1.00 -0.03 2.92 1.01 -0.38 -0.81 120.40 124.86 3l2h s VAL 128 Ca -0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3l2h s VAL 128 Cb -0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3l2h s VAL 128 CO 0.01 0.33 0.14 -1.81 0.00 0.00 0.00 175.10 173.77 3l2h s ASP 129 N 0.76 6.13 -0.60 3.32 1.01 -0.26 -0.17 116.67 126.87 3l2h s ASP 129 Ca -0.13 0.31 0.04 0.00 0.71 0.00 0.00 52.55 53.48 3l2h s ASP 129 Cb -0.15 -1.89 0.16 0.00 1.01 0.00 0.00 42.92 42.05 3l2h s ASP 129 CO 0.02 0.30 0.40 -0.31 0.21 0.00 0.00 175.17 175.80 3l2h s TYR 130 N -1.21 2.90 0.41 4.23 2.02 -0.01 -1.31 117.35 124.38 3l2h s TYR 130 Ca 0.23 -3.03 0.07 0.00 -0.37 0.00 0.00 57.07 53.97 3l2h s TYR 130 Cb -0.12 -2.32 0.85 0.00 -0.40 0.00 0.00 41.96 39.97 3l2h s TYR 130 CO 0.14 -0.65 2.05 -1.35 -1.57 0.00 0.00 175.55 174.17 3l2h h PRO 131 N 5.76 0.56 0.00 -1.71 0.11 -1.81 -0.59 132.00 134.32 3l2h h PRO 131 Ca 0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3l2h h PRO 131 Cb 0.82 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3l2h h PRO 131 CO 0.63 0.37 0.00 -0.91 -0.21 0.00 0.00 178.00 177.88 3l2h h ASN 132 N 0.58 0.00 0.01 -2.05 2.35 -1.95 -2.62 115.58 111.91 3l2h h ASN 132 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3l2h h ASN 132 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3l2h h ASN 132 CO -0.04 0.00 -0.61 0.00 -1.65 0.00 0.00 177.43 175.13 3l2h n GLN 133 N -3.08 0.84 -3.80 0.81 1.13 -0.45 -4.99 117.38 107.83 3l2h n GLN 133 Ca 0.01 -0.68 -0.25 0.00 -1.94 0.00 0.00 57.00 54.14 3l2h n GLN 133 Cb 0.34 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.23 3l2h n GLN 133 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3l2h n HIS 134 N -0.48 -2.04 -4.30 1.08 8.25 -0.36 -5.00 115.22 112.37 3l2h n HIS 134 Ca 0.08 0.86 -0.19 0.00 -0.26 0.00 0.00 57.72 58.21 3l2h n HIS 134 Cb 0.42 -4.18 -0.13 0.00 1.12 0.00 0.00 29.99 27.22 3l2h n HIS 134 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3l2h s LYS 135 N -6.27 0.82 -0.08 -0.41 1.02 -1.12 -4.54 119.74 109.16 3l2h s LYS 135 Ca 0.26 -0.68 0.04 0.00 0.02 0.00 0.00 55.97 55.61 3l2h s LYS 135 Cb -0.13 -0.79 -0.01 0.00 -0.52 0.00 0.00 37.83 36.38 3l2h s LYS 135 CO 0.83 0.19 -0.22 0.50 -0.92 0.00 0.00 175.35 175.74 3l2h s ARG 136 N -1.05 2.79 -0.21 1.68 3.52 -0.16 -0.83 118.95 124.69 3l2h s ARG 136 Ca 0.00 -0.84 -0.06 0.00 -0.13 0.00 0.00 55.73 54.70 3l2h s ARG 136 Cb -0.07 -2.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.99 3l2h s ARG 136 CO 0.01 0.34 0.04 -1.17 -0.81 0.00 0.00 175.30 173.71 3l2h s LEU 137 N -0.04 3.47 -0.27 -0.88 2.96 0.76 -0.93 118.68 123.76 3l2h s LEU 137 Ca -0.06 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.64 3l2h s LEU 137 Cb -0.15 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3l2h s LEU 137 CO 0.05 0.08 0.13 -0.31 -1.32 0.00 0.00 176.35 174.97 3l2h s TYR 138 N 0.94 3.15 -0.21 5.38 2.02 0.46 -1.25 117.35 127.83 3l2h s TYR 138 Ca 0.03 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 3l2h s TYR 138 Cb -0.14 -2.31 0.00 0.00 -0.40 0.00 0.00 41.96 39.11 3l2h s TYR 138 CO 0.02 -0.28 -0.10 0.50 -1.57 0.00 0.00 175.55 174.12 3l2h s ARG 139 N 1.68 3.20 -0.31 -0.62 3.52 0.18 -0.83 118.95 125.77 3l2h s ARG 139 Ca 0.07 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 54.92 3l2h s ARG 139 Cb -0.16 -2.85 0.10 0.00 -1.56 0.00 0.00 34.95 30.49 3l2h s ARG 139 CO 0.07 -0.22 0.12 -0.80 -0.81 0.00 0.00 175.30 173.66 3l2h s ASN 140 N 1.40 3.84 -1.32 -2.12 0.01 0.07 -0.97 114.94 115.85 3l2h s ASN 140 Ca 0.05 -1.59 -0.15 0.00 -0.71 0.00 0.00 52.86 50.45 3l2h s ASN 140 Cb -0.14 -0.70 0.01 0.00 0.41 0.00 0.00 41.25 40.83 3l2h s ASN 140 CO -0.07 -0.41 0.49 0.59 -1.51 0.00 0.00 177.10 176.19 3l2h n ASN 141 N 4.89 -2.33 0.00 -1.22 3.02 0.48 -1.12 115.26 118.98 3l2h n ASN 141 Ca -0.02 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 3l2h n ASN 141 Cb 0.42 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 3l2h n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3l2h n GLY 142 N -2.08 2.59 3.65 7.41 0.00 -1.26 -5.00 105.19 110.50 3l2h n GLY 142 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3l2h n GLY 142 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3l2h s GLU 143 N -0.26 4.16 -0.20 1.61 2.12 -0.28 -5.04 118.70 120.81 3l2h s GLU 143 Ca 0.00 0.50 -0.07 0.00 0.36 0.00 0.00 54.97 55.76 3l2h s GLU 143 Cb 0.00 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 3l2h s GLU 143 CO 0.00 -0.28 0.06 -1.58 -0.54 0.00 0.00 175.26 172.93 3l2h s TRP 144 N 2.04 3.19 -0.25 5.30 0.52 -1.26 -0.75 118.94 127.73 3l2h s TRP 144 Ca 0.26 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.31 3l2h s TRP 144 Cb -0.16 -2.12 0.07 0.00 -1.15 0.00 0.00 33.47 30.11 3l2h s TRP 144 CO 0.09 0.00 -0.02 -0.80 0.02 0.00 0.00 176.95 176.25 3l2h s ASN 145 N 0.72 3.95 -0.22 2.95 0.02 -0.01 -5.01 114.94 117.34 3l2h s ASN 145 Ca 0.03 -1.34 -0.09 0.00 -1.02 0.00 0.00 52.86 50.45 3l2h s ASN 145 Cb -0.13 -1.17 -0.04 0.00 0.02 0.00 0.00 41.25 39.92 3l2h s ASN 145 CO 0.02 -0.28 0.10 -0.22 0.02 0.00 0.00 177.10 176.75 3l2h s LEU 146 N 1.38 3.85 -0.03 0.60 2.96 -1.26 -0.41 118.68 125.77 3l2h s LEU 146 Ca -0.02 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3l2h s LEU 146 Cb -0.19 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.49 3l2h s LEU 146 CO -0.09 0.08 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.22 3l2h s VAL 147 N 0.94 0.93 0.00 1.68 1.01 -0.10 -5.01 120.40 119.85 3l2h s VAL 147 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3l2h s VAL 147 Cb -0.14 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3l2h s VAL 147 CO 0.03 0.28 0.00 0.47 0.00 0.00 0.00 175.10 175.88 3l2h n ASP 148 N 3.21 0.00 0.00 3.32 8.00 -1.26 -0.99 116.55 128.83 3l2h n ASP 148 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 3l2h n ASP 148 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 3l2h n ASP 148 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3l2h n ALA 150 N -3.00 0.00 0.54 2.24 0.00 -1.26 -3.60 120.51 115.43 3l2h n ALA 150 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3l2h n ALA 150 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 3l2h n ALA 150 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3l2h n ASP 151 N 0.00 2.69 -4.57 0.00 8.00 -1.26 -4.88 116.55 116.52 3l2h n ASP 151 Ca 0.00 -1.93 -0.37 0.00 0.71 0.00 0.00 54.79 53.20 3l2h n ASP 151 Cb 0.00 -0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 3l2h n ASP 151 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3l2h s ILE 152 N -1.47 5.04 -0.45 0.53 1.01 -1.24 -5.05 121.20 119.57 3l2h s ILE 152 Ca 0.35 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.87 3l2h s ILE 152 Cb 0.19 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 39.32 3l2h s ILE 152 CO 0.26 0.31 0.67 -0.13 0.00 0.00 0.00 174.94 176.05 3l2h s ARG 153 N 1.48 3.29 -0.52 2.79 3.00 -1.26 -5.02 118.95 122.71 3l2h s ARG 153 Ca 0.07 -0.37 -0.24 0.00 0.00 0.00 0.00 55.73 55.19 3l2h s ARG 153 Cb -0.15 -3.96 0.04 0.00 0.00 0.00 0.00 34.95 30.88 3l2h s ARG 153 CO 0.07 -1.06 0.89 0.08 0.00 0.00 0.00 175.30 175.28 3l2h s VAL 154 N 2.91 4.48 -0.00 3.52 1.01 -1.26 -4.87 120.40 126.19 3l2h s VAL 154 Ca 0.23 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 3l2h s VAL 154 Cb -0.14 -4.47 -0.27 0.00 0.00 0.00 0.00 36.38 31.50 3l2h s VAL 154 CO 0.19 -0.99 0.83 -0.07 0.00 0.00 0.00 175.10 175.06 3l2h h LEU 155 N 10.67 0.32 -7.70 3.92 3.38 -2.06 -3.46 115.31 120.37 3l2h h LEU 155 Ca -0.26 -0.47 -0.17 0.00 0.09 0.00 0.00 57.88 57.07 3l2h h LEU 155 Cb 1.08 -0.10 -0.24 0.00 0.09 0.00 0.00 40.66 41.49 3l2h h LEU 155 CO 1.05 1.39 -0.55 -0.13 0.09 0.00 0.00 178.44 180.29 3l2h s ARG 156 N -2.62 0.30 0.00 1.13 0.52 -1.26 -5.37 118.95 111.66 3l2h s ARG 156 Ca -0.09 -0.15 0.27 0.00 -0.52 0.00 0.00 55.73 55.25 3l2h s ARG 156 Cb 0.07 0.13 0.92 0.00 0.52 0.00 0.00 34.95 36.59 3l2h s ARG 156 CO 0.84 -0.06 1.67 -1.91 0.02 0.00 0.00 175.30 175.86