#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l2h h THR 3 N 0.00 0.07 0.00 5.18 1.35 -2.04 -3.06 112.91 114.41 3l2h h THR 3 Ca 0.00 -0.60 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 3l2h h THR 3 Cb 0.00 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3l2h h THR 3 CO 0.00 0.03 -0.10 -0.09 -0.25 0.00 0.00 175.52 175.11 3l2h h ARG 4 N 0.00 0.00 0.00 4.72 9.65 -2.06 -1.03 114.38 125.66 3l2h h ARG 4 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3l2h h ARG 4 Cb 0.56 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 3l2h h ARG 4 CO 0.00 0.10 0.00 -0.22 2.80 0.00 0.00 179.97 182.65 3l2h h LYS 5 N 0.00 0.00 0.00 0.20 1.63 -1.97 -2.46 116.57 113.97 3l2h h LYS 5 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3l2h h LYS 5 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3l2h h LYS 5 CO 0.01 0.00 -0.73 1.28 -3.45 0.00 0.00 179.45 176.56 3l2h n LEU 6 N -2.36 0.63 -4.56 5.20 4.77 -0.39 -4.64 117.00 115.64 3l2h n LEU 6 Ca -0.01 0.08 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 3l2h n LEU 6 Cb 0.08 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.89 3l2h n LEU 6 CO 0.13 0.02 -0.25 -0.22 -1.33 0.00 0.00 177.39 175.75 3l2h s LEU 7 N -3.82 3.72 -0.27 2.23 2.96 -0.93 -4.95 118.68 117.62 3l2h s LEU 7 Ca 0.07 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3l2h s LEU 7 Cb 0.15 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.88 3l2h s LEU 7 CO 0.74 0.07 0.02 -0.76 -1.32 0.00 0.00 176.35 175.11 3l2h s LEU 8 N 0.99 3.57 0.78 -0.68 1.43 -1.26 -4.99 118.68 118.52 3l2h s LEU 8 Ca 0.05 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 3l2h s LEU 8 Cb -0.14 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.35 3l2h s LEU 8 CO 0.03 -0.16 1.09 0.42 0.23 0.00 0.00 176.35 177.96 3l2h s THR 9 N 1.43 3.32 0.29 5.49 -4.23 -1.26 -4.84 115.64 115.84 3l2h s THR 9 Ca 0.02 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.98 3l2h s THR 9 Cb -0.17 -2.93 0.29 0.00 1.34 0.00 0.00 72.50 71.03 3l2h s THR 9 CO -0.00 -0.56 1.82 0.00 -0.54 0.00 0.00 174.62 175.34 3l2h h ALA 10 N -1.13 1.54 -0.48 3.99 0.00 -1.99 -0.86 119.26 120.32 3l2h h ALA 10 Ca -0.44 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3l2h h ALA 10 Cb 1.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3l2h h ALA 10 CO 0.52 0.18 0.14 0.37 0.00 0.00 0.00 179.25 180.46 3l2h h GLN 11 N 0.95 0.75 -0.94 0.00 4.15 -1.99 -1.01 115.11 117.03 3l2h h GLN 11 Ca 0.51 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.79 3l2h h GLN 11 Cb 0.56 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.09 3l2h h GLN 11 CO -0.29 0.72 0.61 0.93 -1.93 0.00 0.00 178.83 178.87 3l2h h GLU 12 N 0.64 1.18 -0.60 1.69 5.08 -1.59 -0.31 114.58 120.66 3l2h h GLU 12 Ca 0.15 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3l2h h GLU 12 Cb 0.28 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3l2h h GLU 12 CO -0.00 0.78 0.01 0.82 -1.00 0.00 0.00 179.01 179.61 3l2h h ILE 13 N 1.21 1.26 0.00 3.13 2.04 -0.92 -2.02 117.51 122.21 3l2h h ILE 13 Ca 0.36 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 3l2h h ILE 13 Cb -0.05 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3l2h h ILE 13 CO -0.11 0.41 -0.33 0.77 0.00 0.00 0.00 178.15 178.90 3l2h h SER 14 N 0.96 0.00 -2.41 1.72 4.64 -0.60 -3.46 113.55 114.41 3l2h h SER 14 Ca 0.17 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.78 3l2h h SER 14 Cb 0.54 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.45 3l2h h SER 14 CO 0.03 0.33 1.00 -0.13 -0.87 0.00 0.00 176.83 177.19 3l2h s ARG 15 N -4.26 3.82 -0.04 4.77 0.52 -0.18 -5.08 118.95 118.50 3l2h s ARG 15 Ca -0.03 -2.18 0.06 0.00 -0.52 0.00 0.00 55.73 53.07 3l2h s ARG 15 Cb 0.15 -4.94 -0.02 0.00 0.52 0.00 0.00 34.95 30.65 3l2h s ARG 15 CO 0.71 -1.73 -0.23 0.21 0.02 0.00 0.00 175.30 174.29 3l2h s LYS 17 N 1.99 2.33 -0.14 3.54 2.20 -1.26 -5.08 119.74 123.32 3l2h s LYS 17 Ca 0.36 -0.86 -0.15 0.00 -0.36 0.00 0.00 55.97 54.96 3l2h s LYS 17 Cb -0.04 -2.17 -0.05 0.00 -1.51 0.00 0.00 37.83 34.07 3l2h s LYS 17 CO -0.06 0.53 0.34 0.20 -0.36 0.00 0.00 175.35 176.00 3l2h s GLY 18 N -0.52 2.27 -0.03 5.54 0.00 -1.26 -4.82 107.32 108.49 3l2h s GLY 18 Ca 0.07 -0.39 -0.30 0.00 0.00 0.00 0.00 44.72 44.10 3l2h s GLY 18 CO 0.00 0.46 1.10 -0.54 0.00 0.00 0.00 173.10 174.13 3l2h s GLU 19 N 0.35 4.44 -0.13 2.90 2.02 -0.35 -4.75 118.70 123.19 3l2h s GLU 19 Ca 0.19 1.57 -0.29 0.00 0.02 0.00 0.00 54.97 56.45 3l2h s GLU 19 Cb -0.14 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.59 3l2h s GLU 19 CO 0.06 -0.28 1.20 -1.58 0.02 0.00 0.00 175.26 174.68 3l2h s HIS 20 N 1.61 3.07 -0.03 1.61 5.65 -1.26 -0.61 115.29 125.33 3l2h s HIS 20 Ca 0.54 1.17 0.05 0.00 0.25 0.00 0.00 55.06 57.06 3l2h s HIS 20 Cb -0.23 -3.43 -0.01 0.00 -1.18 0.00 0.00 32.58 27.73 3l2h s HIS 20 CO 0.24 -1.35 -0.18 0.15 -0.65 0.00 0.00 174.74 172.96 3l2h s LYS 21 N 2.89 1.61 -0.10 2.88 -0.14 -0.27 -4.98 119.74 121.62 3l2h s LYS 21 Ca 0.54 -0.62 0.02 0.00 -1.36 0.00 0.00 55.97 54.54 3l2h s LYS 21 Cb -0.22 -1.47 0.01 0.00 -1.68 0.00 0.00 37.83 34.47 3l2h s LYS 21 CO 0.17 0.32 -0.16 0.08 -0.76 0.00 0.00 175.35 174.99 3l2h s VAL 22 N -0.20 1.55 0.31 3.17 1.01 -1.26 -1.54 120.40 123.44 3l2h s VAL 22 Ca 0.02 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3l2h s VAL 22 Cb -0.09 -1.40 -0.11 0.00 0.00 0.00 0.00 36.38 34.79 3l2h s VAL 22 CO 0.01 0.45 1.47 -2.28 0.00 0.00 0.00 175.10 174.75 3l2h s HIS 23 N 0.83 2.83 0.55 5.22 2.46 -0.37 -4.89 115.29 121.92 3l2h s HIS 23 Ca -0.10 1.06 0.36 0.00 0.47 0.00 0.00 55.06 56.86 3l2h s HIS 23 Cb -0.15 -3.92 1.99 0.00 -0.13 0.00 0.00 32.58 30.36 3l2h s HIS 23 CO 0.01 -2.88 2.25 0.27 -2.47 0.00 0.00 174.74 171.92 3l2h h PHE 24 N 4.13 0.00 -0.01 3.88 -0.00 -2.00 -2.14 116.94 120.80 3l2h h PHE 24 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 3l2h h PHE 24 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.18 3l2h h PHE 24 CO 0.57 0.02 -0.25 1.28 -0.00 0.00 0.00 178.31 179.93 3l2h n LEU 25 N -3.40 1.57 -3.45 2.10 4.77 -1.26 -4.91 117.00 112.43 3l2h n LEU 25 Ca -0.02 -0.80 -0.21 0.00 -0.03 0.00 0.00 56.01 54.95 3l2h n LEU 25 Cb 0.13 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 3l2h n LEU 25 CO 0.25 0.30 -0.23 0.21 -1.33 0.00 0.00 177.39 176.59 3l2h s ASN 26 N -1.64 2.31 0.45 -1.43 2.47 -0.81 -4.99 114.94 111.30 3l2h s ASN 26 Ca 0.12 -0.94 0.31 0.00 0.42 0.00 0.00 52.86 52.76 3l2h s ASN 26 Cb 0.11 0.22 1.57 0.00 -1.45 0.00 0.00 41.25 41.70 3l2h s ASN 26 CO 0.33 -0.41 1.94 -0.65 -3.72 0.00 0.00 177.10 174.59 3l2h h PRO 27 N 8.30 0.00 -0.00 0.43 0.11 -1.91 -0.00 132.00 138.93 3l2h h PRO 27 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3l2h h PRO 27 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3l2h h PRO 27 CO 0.37 0.00 -0.20 0.41 -0.21 0.00 0.00 178.00 178.37 3l2h n GLY 28 N -0.86 -1.34 3.41 -0.55 0.00 -1.26 -4.51 105.19 100.08 3l2h n GLY 28 Ca -0.01 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.93 4.22 -0.10 4.61 0.00 -0.01 -0.99 121.76 126.55 3l2h s ALA 29 Ca 0.15 -3.48 0.02 0.00 0.00 0.00 0.00 51.96 48.64 3l2h s ALA 29 Cb 0.19 -3.87 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 3l2h s ALA 29 CO 0.59 -2.54 -0.16 0.08 0.00 0.00 0.00 175.76 173.72 3l2h s VAL 30 N 0.52 2.81 0.16 0.00 1.01 -1.15 -1.23 120.40 122.53 3l2h s VAL 30 Ca 0.35 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 3l2h s VAL 30 Cb -0.06 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3l2h s VAL 30 CO -0.05 0.55 0.27 0.00 0.00 0.00 0.00 175.10 175.88 3l2h s ARG 31 N 0.06 1.15 -0.20 2.72 1.70 -0.59 -4.53 118.95 119.26 3l2h s ARG 31 Ca -0.06 -1.19 -0.06 0.00 -0.47 0.00 0.00 55.73 53.94 3l2h s ARG 31 Cb -0.15 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 3l2h s ARG 31 CO 0.05 -0.42 0.03 0.08 -1.08 0.00 0.00 175.30 173.96 3l2h s VAL 32 N -3.98 4.27 -0.14 4.99 1.01 -0.27 -1.12 120.40 125.17 3l2h s VAL 32 Ca 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 3l2h s VAL 32 Cb 0.03 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 3l2h s VAL 32 CO 0.00 0.42 -0.14 0.21 0.00 0.00 0.00 175.10 175.60 3l2h s ASN 33 N 0.91 3.89 -0.26 3.32 2.47 0.22 -1.01 114.94 124.47 3l2h s ASN 33 Ca 0.02 -0.38 0.01 0.00 0.42 0.00 0.00 52.86 52.93 3l2h s ASN 33 Cb -0.14 -1.60 0.05 0.00 -1.45 0.00 0.00 41.25 38.11 3l2h s ASN 33 CO 0.02 0.13 -0.08 -0.54 -3.72 0.00 0.00 177.10 172.91 3l2h s LYS 34 N 0.57 2.43 -0.76 0.43 1.02 0.05 -1.21 119.74 122.26 3l2h s LYS 34 Ca -0.08 -1.24 -0.24 0.00 0.02 0.00 0.00 55.97 54.43 3l2h s LYS 34 Cb -0.16 -2.97 0.06 0.00 -0.52 0.00 0.00 37.83 34.25 3l2h s LYS 34 CO 0.03 -0.54 1.14 0.45 -0.92 0.00 0.00 175.35 175.52 3l2h s SER 35 N 1.19 6.26 0.12 2.83 0.15 -1.26 -0.74 113.70 122.24 3l2h s SER 35 Ca -0.06 -0.99 -0.14 0.00 0.70 0.00 0.00 55.95 55.46 3l2h s SER 35 Cb -0.19 -2.48 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 3l2h s SER 35 CO -0.04 -1.54 1.49 -0.07 1.20 0.00 0.00 173.24 174.29 3l2h h LEU 36 N 11.95 0.76 -0.37 3.45 3.38 -1.35 -1.94 115.31 131.20 3l2h h LEU 36 Ca -0.18 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.42 3l2h h LEU 36 Cb 1.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3l2h h LEU 36 CO 1.23 0.99 0.19 1.23 0.09 0.00 0.00 178.44 182.17 3l2h h GLY 37 N 0.53 0.51 1.45 0.83 0.00 -1.75 -2.74 103.07 101.90 3l2h h GLY 37 Ca 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 3l2h h GLY 37 CO 0.05 0.10 -0.11 -0.55 0.00 0.00 0.00 176.54 176.03 3l2h h ASP 38 N 0.39 0.65 -0.10 0.19 3.32 -1.75 0.06 116.42 119.18 3l2h h ASP 38 Ca 0.16 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3l2h h ASP 38 Cb 0.06 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3l2h h ASP 38 CO -0.11 0.79 0.06 0.00 -1.72 0.00 0.00 179.24 178.26 3l2h h ALA 39 N 1.28 1.89 -0.02 3.45 0.00 -1.06 -2.76 119.26 122.04 3l2h h ALA 39 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3l2h h ALA 39 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3l2h h ALA 39 CO 0.03 0.09 -0.11 1.33 0.00 0.00 0.00 179.25 180.59 3l2h n VAL 40 N -4.50 0.00 0.00 0.00 0.24 -0.93 -4.99 118.33 108.15 3l2h n VAL 40 Ca -0.01 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3l2h n VAL 40 Cb 0.09 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 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 0.93 1.02 3.76 7.63 0.00 -0.35 -4.81 105.19 113.37 3l2h n GLY 41 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 4.43 -0.01 0.99 1.43 -0.14 -4.92 118.68 120.47 3l2h s LEU 42 Ca 0.00 2.58 0.02 0.00 -1.03 0.00 0.00 54.13 55.70 3l2h s LEU 42 Cb 0.00 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 3l2h s LEU 42 CO 0.00 -0.51 0.03 0.54 0.23 0.00 0.00 176.35 176.65 3l2h n ARG 43 N 1.36 1.13 -0.69 1.70 1.74 -1.26 -4.39 116.66 116.25 3l2h n ARG 43 Ca 0.02 -0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.15 3l2h n ARG 43 Cb 0.42 -1.05 0.33 0.00 -1.02 0.00 0.00 32.46 31.14 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 -1.72 1.61 -3.93 -1.55 8.25 -1.26 -4.83 115.22 111.79 3l2h n HIS 44 Ca -0.01 -0.57 -0.18 0.00 -0.26 0.00 0.00 57.72 56.69 3l2h n HIS 44 Cb 0.20 -0.39 -0.16 0.00 1.12 0.00 0.00 29.99 30.76 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 -0.68 0.29 -0.20 -1.41 0.00 0.13 -0.74 107.32 104.71 3l2h s GLY 46 Ca 0.44 0.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.26 3l2h s GLY 46 CO 0.15 0.67 0.01 -0.42 0.00 0.00 0.00 173.10 173.51 3l2h s ILE 47 N 1.15 0.79 -0.03 0.90 1.01 -1.26 -0.68 121.20 123.08 3l2h s ILE 47 Ca -0.08 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3l2h s ILE 47 Cb -0.13 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3l2h s ILE 47 CO -0.02 -0.14 -0.19 -1.00 0.00 0.00 0.00 174.94 173.59 3l2h s HIS 48 N 1.74 1.82 -0.33 3.97 3.76 0.02 -0.82 115.29 125.45 3l2h s HIS 48 Ca -0.02 -0.45 -0.14 0.00 -0.15 0.00 0.00 55.06 54.29 3l2h s HIS 48 Cb -0.17 -1.20 -0.02 0.00 1.11 0.00 0.00 32.58 32.30 3l2h s HIS 48 CO -0.07 -0.12 0.33 -1.17 -0.85 0.00 0.00 174.74 172.86 3l2h s LEU 49 N -0.19 4.37 0.13 0.89 2.96 0.08 -0.46 118.68 126.46 3l2h s LEU 49 Ca 0.01 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 3l2h s LEU 49 Cb -0.10 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 3l2h s LEU 49 CO 0.01 -0.28 -0.19 0.27 -1.32 0.00 0.00 176.35 174.84 3l2h s ILE 50 N 1.95 2.76 -0.14 6.68 -4.36 0.26 -0.77 121.20 127.58 3l2h s ILE 50 Ca 0.11 -1.59 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 3l2h s ILE 50 Cb -0.17 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.29 3l2h s ILE 50 CO 0.11 0.06 -0.16 -1.10 0.24 0.00 0.00 174.94 174.09 3l2h s GLN 51 N -2.23 2.48 -0.18 0.37 -0.21 -0.18 -1.75 119.66 117.97 3l2h s GLN 51 Ca 0.18 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 54.93 3l2h s GLN 51 Cb -0.10 -2.17 0.02 0.00 1.00 0.00 0.00 33.01 31.75 3l2h s GLN 51 CO 0.10 -0.17 -0.20 0.42 -2.12 0.00 0.00 175.29 173.33 3l2h s ILE 52 N 1.26 2.07 0.59 1.08 1.01 0.21 -1.11 121.20 126.32 3l2h s ILE 52 Ca 0.01 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 3l2h s ILE 52 Cb -0.14 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3l2h s ILE 52 CO -0.08 0.54 0.99 -1.61 0.00 0.00 0.00 174.94 174.77 3l2h s GLU 53 N 1.29 3.59 0.20 2.79 0.41 -1.26 -0.58 118.70 125.14 3l2h s GLU 53 Ca 0.05 0.65 -0.33 0.00 -0.41 0.00 0.00 54.97 54.93 3l2h s GLU 53 Cb -0.13 -2.13 -0.14 0.00 -1.78 0.00 0.00 34.13 29.95 3l2h s GLU 53 CO -0.13 -0.50 1.41 -2.30 -0.49 0.00 0.00 175.26 173.25 3l2h n PRO 54 N -2.66 1.87 -0.16 0.39 -0.02 -1.26 -1.73 135.00 131.43 3l2h n PRO 54 Ca 0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3l2h n PRO 54 Cb 0.54 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.48 0.70 3.73 -1.23 0.00 0.88 -5.03 105.19 106.71 3l2h n GLY 55 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.73 2.26 0.30 1.61 -0.14 -0.71 -4.94 119.74 117.39 3l2h s LYS 56 Ca 0.00 -1.76 0.10 0.00 -1.36 0.00 0.00 55.97 52.95 3l2h s LYS 56 Cb 0.00 -2.04 -0.06 0.00 -1.68 0.00 0.00 37.83 34.06 3l2h s LYS 56 CO 0.00 -0.05 -0.14 -1.21 -0.76 0.00 0.00 175.35 173.20 3l2h s GLU 57 N -3.89 1.71 0.32 1.68 2.02 -0.16 -1.26 118.70 119.12 3l2h s GLU 57 Ca 0.40 -1.84 0.24 0.00 0.02 0.00 0.00 54.97 53.79 3l2h s GLU 57 Cb 0.02 -1.64 0.42 0.00 0.10 0.00 0.00 34.13 33.02 3l2h s GLU 57 CO 0.23 0.21 1.55 0.66 0.02 0.00 0.00 175.26 177.92 3l2h h SER 58 N 2.18 0.00 -5.87 -0.19 4.64 -0.75 -3.04 113.55 110.51 3l2h h SER 58 Ca -0.41 -0.02 0.36 0.00 -0.47 0.00 0.00 61.79 61.25 3l2h h SER 58 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 3l2h h SER 58 CO 0.66 0.01 0.93 0.28 -0.87 0.00 0.00 176.83 177.83 3l2h s THR 59 N -3.20 0.00 -0.14 2.95 -1.32 -1.26 -4.93 115.64 107.74 3l2h s THR 59 Ca 0.07 -0.13 -0.17 0.00 -1.21 0.00 0.00 61.69 60.25 3l2h s THR 59 Cb 0.08 -2.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.28 3l2h s THR 59 CO 0.67 0.00 0.45 -0.70 -2.21 0.00 0.00 174.62 172.83 3l2h s GLU 60 N -2.07 4.31 -0.45 7.08 2.56 -1.26 -4.72 118.70 124.15 3l2h s GLU 60 Ca 0.27 0.38 -0.42 0.00 0.00 0.00 0.00 54.97 55.20 3l2h s GLU 60 Cb 0.01 -3.45 -0.18 0.00 2.00 0.00 0.00 34.13 32.51 3l2h s GLU 60 CO -0.02 0.13 1.48 0.98 -0.56 0.00 0.00 175.26 177.28 3l2h n TYR 61 N 3.79 1.54 -3.77 5.30 9.36 -1.26 -4.88 117.16 127.24 3l2h n TYR 61 Ca -0.08 1.01 -0.10 0.00 3.32 0.00 0.00 57.90 62.06 3l2h n TYR 61 Cb 0.51 -2.02 -0.04 0.00 -0.63 0.00 0.00 39.34 37.17 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 2.92 -0.04 -0.09 2.98 -3.43 -0.82 -3.97 115.29 112.83 3l2h s HIS 62 Ca 0.96 -0.30 -0.04 0.00 -0.80 0.00 0.00 55.06 54.88 3l2h s HIS 62 Cb -1.35 0.33 0.05 0.00 -1.43 0.00 0.00 32.58 30.18 3l2h s HIS 62 CO 0.73 -0.89 0.18 -1.17 -2.00 0.00 0.00 174.74 171.59 3l2h s LEU 63 N -2.89 0.03 0.17 5.38 0.20 -0.27 -1.69 118.68 119.62 3l2h s LEU 63 Ca 0.10 0.40 -0.22 0.00 0.69 0.00 0.00 54.13 55.10 3l2h s LEU 63 Cb -0.00 0.41 -0.08 0.00 -0.43 0.00 0.00 46.19 46.09 3l2h s LEU 63 CO -0.02 -0.22 0.71 -1.00 -0.29 0.00 0.00 176.35 175.53 3l2h s HIS 64 N 2.08 3.79 -0.09 5.38 3.76 -1.26 -0.98 115.29 127.97 3l2h s HIS 64 Ca -0.00 1.47 0.12 0.00 -0.15 0.00 0.00 55.06 56.50 3l2h s HIS 64 Cb -0.12 -2.65 -0.24 0.00 1.11 0.00 0.00 32.58 30.68 3l2h s HIS 64 CO -0.07 0.47 0.48 0.72 -0.85 0.00 0.00 174.74 175.49 3l2h n HIS 65 N 1.31 0.76 0.00 1.40 -0.00 -0.12 -1.17 115.22 117.41 3l2h n HIS 65 Ca -0.06 0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 3l2h n HIS 65 Cb 0.50 -1.14 0.00 0.00 -0.00 0.00 0.00 29.99 29.35 3l2h n HIS 65 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3l2h n TYR 66 N -3.02 0.00 -3.17 4.41 4.01 -1.26 -4.57 117.16 113.56 3l2h n TYR 66 Ca -0.23 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.12 3l2h n TYR 66 Cb 1.07 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.05 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 -1.91 4.27 0.59 -0.72 2.02 -1.26 -4.92 118.70 116.77 3l2h s GLU 67 Ca 0.00 0.59 -0.16 0.00 0.02 0.00 0.00 54.97 55.42 3l2h s GLU 67 Cb 0.00 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 3l2h s GLU 67 CO 0.00 -0.09 1.07 -1.21 0.02 0.00 0.00 175.26 175.05 3l2h s GLU 68 N 1.40 3.29 0.05 1.61 2.02 -1.26 -4.73 118.70 121.08 3l2h s GLU 68 Ca 0.29 1.26 -0.09 0.00 0.02 0.00 0.00 54.97 56.45 3l2h s GLU 68 Cb -0.16 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.05 3l2h s GLU 68 CO 0.11 -0.84 0.18 -2.00 0.02 0.00 0.00 175.26 172.74 3l2h s GLU 69 N -3.97 0.72 0.08 1.61 2.12 -1.16 -2.12 118.70 115.97 3l2h s GLU 69 Ca 0.65 -0.73 -0.21 0.00 0.36 0.00 0.00 54.97 55.04 3l2h s GLU 69 Cb -0.17 0.29 0.05 0.00 0.26 0.00 0.00 34.13 34.56 3l2h s GLU 69 CO 0.36 -0.21 0.50 0.00 -0.54 0.00 0.00 175.26 175.37 3l2h s ALA 70 N -2.89 -1.26 -0.03 6.30 0.00 0.55 -0.34 121.76 124.09 3l2h s ALA 70 Ca -0.03 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.39 3l2h s ALA 70 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.65 3l2h s ALA 70 CO -0.06 -0.57 -0.09 0.08 0.00 0.00 0.00 175.76 175.12 3l2h s VAL 71 N -2.91 0.83 -0.11 0.00 1.01 0.70 -0.74 120.40 119.17 3l2h s VAL 71 Ca -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3l2h s VAL 71 Cb -0.00 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.66 3l2h s VAL 71 CO -0.05 0.26 -0.13 -0.47 0.00 0.00 0.00 175.10 174.71 3l2h s TYR 72 N 0.26 1.81 -0.17 5.22 5.04 0.50 -1.45 117.35 128.56 3l2h s TYR 72 Ca -0.04 -0.88 -0.24 0.00 -2.44 0.00 0.00 57.07 53.47 3l2h s TYR 72 Cb -0.10 -1.36 -0.02 0.00 0.35 0.00 0.00 41.96 40.84 3l2h s TYR 72 CO 0.01 -0.49 0.78 0.08 -1.34 0.00 0.00 175.55 174.59 3l2h s VAL 73 N 1.21 4.92 -0.21 3.14 1.01 -0.11 -0.61 120.40 129.75 3l2h s VAL 73 Ca -0.03 1.53 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 3l2h s VAL 73 Cb -0.14 -4.09 -0.20 0.00 0.00 0.00 0.00 36.38 31.95 3l2h s VAL 73 CO -0.04 0.05 0.01 0.18 0.00 0.00 0.00 175.10 175.30 3l2h n LEU 74 N 5.16 2.54 -3.66 3.92 4.77 -0.13 -0.03 117.00 129.56 3l2h n LEU 74 Ca 0.03 0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 3l2h n LEU 74 Cb 0.49 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 3l2h n LEU 74 CO 0.47 0.76 0.29 -0.94 -1.33 0.00 0.00 177.39 176.64 3l2h s SER 75 N -6.91 -0.32 0.00 -1.43 1.04 -0.88 -4.71 113.70 100.50 3l2h s SER 75 Ca -0.31 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.76 3l2h s SER 75 Cb 0.09 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3l2h s SER 75 CO 0.64 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3l2h n GLY 76 N -0.33 -2.27 3.10 7.32 0.00 -1.25 -0.98 105.19 110.77 3l2h n GLY 76 Ca -0.12 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.54 0.64 0.33 1.61 1.02 -1.26 -3.74 119.74 117.80 3l2h s LYS 77 Ca 0.00 -0.99 -0.03 0.00 0.02 0.00 0.00 55.97 54.97 3l2h s LYS 77 Cb 0.00 -0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 3l2h s LYS 77 CO 0.00 0.02 0.48 0.41 -0.92 0.00 0.00 175.35 175.34 3l2h n GLY 78 N 0.86 2.06 3.01 -3.33 0.00 -0.56 -4.41 105.19 102.82 3l2h n GLY 78 Ca -0.19 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.72 1.59 -0.20 2.61 2.01 0.86 -0.98 115.64 118.82 3l2h s THR 79 Ca 0.25 -0.77 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 3l2h s THR 79 Cb -0.01 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 3l2h s THR 79 CO 0.18 0.35 0.61 -0.22 -0.69 0.00 0.00 174.62 174.84 3l2h s LEU 80 N 1.45 4.15 0.30 4.42 2.96 0.40 -1.23 118.68 131.12 3l2h s LEU 80 Ca 0.03 0.80 0.07 0.00 -0.22 0.00 0.00 54.13 54.80 3l2h s LEU 80 Cb -0.14 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 3l2h s LEU 80 CO -0.10 -0.25 0.34 -0.89 -1.32 0.00 0.00 176.35 174.13 3l2h s THR 81 N 1.85 4.27 0.00 3.68 2.01 0.24 -0.25 115.64 127.43 3l2h s THR 81 Ca 0.28 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 61.09 3l2h s THR 81 Cb -0.16 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.91 3l2h s THR 81 CO 0.10 -0.24 0.00 -0.62 -0.69 0.00 0.00 174.62 173.17 3l2h n GLU 83 N -1.42 0.00 -1.00 4.92 -0.58 -0.63 -1.14 120.64 120.79 3l2h n GLU 83 Ca -0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.70 3l2h n GLU 83 Cb 0.58 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.45 3l2h n GLU 83 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3l2h n ASN 84 N 0.00 -4.62 -4.59 1.62 3.02 -1.26 -5.00 115.26 104.43 3l2h n ASN 84 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 3l2h n ASN 84 Cb 0.00 -2.14 -0.10 0.00 -0.61 0.00 0.00 39.78 36.93 3l2h n ASN 84 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3l2h s ASP 85 N -2.01 4.49 -0.11 6.41 1.01 -1.26 -5.12 116.67 120.08 3l2h s ASP 85 Ca 0.00 -0.30 -0.03 0.00 0.71 0.00 0.00 52.55 52.94 3l2h s ASP 85 Cb 0.00 -0.93 -0.03 0.00 1.01 0.00 0.00 42.92 42.97 3l2h s ASP 85 CO 0.00 0.21 -0.01 -1.10 0.21 0.00 0.00 175.17 174.49 3l2h s GLN 86 N -1.95 3.24 -0.02 8.23 -0.21 -1.26 -4.18 119.66 123.52 3l2h s GLN 86 Ca 0.20 -0.43 0.02 0.00 0.02 0.00 0.00 55.36 55.17 3l2h s GLN 86 Cb -0.11 -2.86 -0.00 0.00 1.00 0.00 0.00 33.01 31.04 3l2h s GLN 86 CO 0.12 0.55 -0.08 0.71 -2.12 0.00 0.00 175.29 174.46 3l2h s TYR 87 N -0.45 0.82 0.27 0.91 1.51 0.65 -4.98 117.35 116.08 3l2h s TYR 87 Ca 0.08 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.66 3l2h s TYR 87 Cb -0.12 -0.57 -0.09 0.00 -0.11 0.00 0.00 41.96 41.07 3l2h s TYR 87 CO 0.02 -0.06 1.13 -1.25 -1.11 0.00 0.00 175.55 174.28 3l2h s PRO 88 N 0.04 4.59 0.11 -1.71 0.04 -1.26 -0.45 135.00 136.35 3l2h s PRO 88 Ca -0.00 1.85 0.08 0.00 0.04 0.00 0.00 61.00 62.97 3l2h s PRO 88 Cb -0.06 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 3l2h s PRO 88 CO 0.00 0.13 -0.19 0.96 0.04 0.00 0.00 177.00 177.93 3l2h s ILE 89 N -0.98 1.64 0.34 0.56 -4.36 -0.15 -4.84 121.20 113.42 3l2h s ILE 89 Ca 0.46 -1.58 -0.12 0.00 -0.26 0.00 0.00 60.65 59.15 3l2h s ILE 89 Cb -0.33 -1.54 0.03 0.00 1.25 0.00 0.00 42.46 41.87 3l2h s ILE 89 CO 0.42 -0.13 0.66 0.00 0.24 0.00 0.00 174.94 176.12 3l2h s ALA 90 N -1.35 -0.31 0.30 2.27 0.00 -1.26 -1.50 121.76 119.90 3l2h s ALA 90 Ca 0.07 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 3l2h s ALA 90 Cb -0.09 0.88 -0.10 0.00 0.00 0.00 0.00 23.12 23.81 3l2h s ALA 90 CO 0.04 -0.92 1.37 -2.14 0.00 0.00 0.00 175.76 174.11 3l2h s PRO 91 N -2.92 4.31 0.00 0.00 0.02 -1.25 -1.46 135.00 133.70 3l2h s PRO 91 Ca 0.20 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3l2h s PRO 91 Cb -0.03 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.40 3l2h s PRO 91 CO 0.13 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 3l2h n GLY 92 N 1.37 1.03 3.77 0.52 0.00 0.95 -4.99 105.19 107.84 3l2h n GLY 92 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.56 6.80 -0.03 1.61 1.01 -0.54 -4.83 116.67 118.14 3l2h s ASP 93 Ca 0.00 2.19 0.05 0.00 0.71 0.00 0.00 52.55 55.50 3l2h s ASP 93 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 3l2h s ASP 93 CO 0.00 -0.47 -0.18 0.12 0.21 0.00 0.00 175.17 174.85 3l2h s PHE 94 N -1.46 1.70 -0.03 4.23 5.36 -1.26 -0.93 117.98 125.59 3l2h s PHE 94 Ca 0.54 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 56.12 3l2h s PHE 94 Cb -0.27 -1.12 0.02 0.00 -0.34 0.00 0.00 43.02 41.31 3l2h s PHE 94 CO 0.34 -0.10 -0.03 0.54 -1.46 0.00 0.00 175.22 174.51 3l2h s VAL 95 N -0.19 0.41 0.10 3.12 0.11 -0.53 -5.00 120.40 118.41 3l2h s VAL 95 Ca 0.02 -0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.05 3l2h s VAL 95 Cb -0.09 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 3l2h s VAL 95 CO 0.01 0.18 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.94 3l2h s GLY 96 N 0.72 1.13 -0.42 6.54 0.00 -1.26 -0.21 107.32 113.82 3l2h s GLY 96 Ca -0.09 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.46 3l2h s GLY 96 CO -0.00 -1.21 0.20 -1.36 0.00 0.00 0.00 173.10 170.72 3l2h s PHE 97 N -1.30 2.33 0.80 1.90 0.08 0.53 -4.99 117.98 117.33 3l2h s PHE 97 Ca 0.05 -2.49 -0.14 0.00 0.12 0.00 0.00 56.93 54.46 3l2h s PHE 97 Cb -0.09 -2.13 0.05 0.00 -0.57 0.00 0.00 43.02 40.28 3l2h s PHE 97 CO 0.04 -0.81 0.99 -2.30 -0.10 0.00 0.00 175.22 173.04 3l2h n PRO 98 N 3.78 0.18 -1.68 0.24 -0.02 -1.26 -3.01 135.00 133.22 3l2h n PRO 98 Ca 0.06 0.13 -0.43 0.00 -2.02 0.00 0.00 63.50 61.23 3l2h n PRO 98 Cb 0.36 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3l2h n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l2h n HIS 100 N 0.50 -0.05 -0.03 0.00 8.25 -0.32 -4.89 115.22 118.69 3l2h n HIS 100 Ca 0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.32 3l2h n HIS 100 Cb 0.35 -3.18 -0.13 0.00 1.12 0.00 0.00 29.99 28.15 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 0.09 0.13 -1.68 -1.41 0.00 -1.73 -3.49 119.26 111.18 3l2h h ALA 101 Ca -0.35 -0.96 0.06 0.00 0.00 0.00 0.00 54.91 53.67 3l2h h ALA 101 Cb 1.25 0.40 -0.25 0.00 0.00 0.00 0.00 17.79 19.19 3l2h h ALA 101 CO 0.52 0.58 0.32 0.00 0.00 0.00 0.00 179.25 180.66 3l2h s ALA 102 N -2.39 -2.06 0.30 0.00 0.00 -1.26 -5.05 121.76 111.30 3l2h s ALA 102 Ca -0.21 2.13 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 3l2h s ALA 102 Cb 0.03 -1.52 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 3l2h s ALA 102 CO 0.71 -0.32 1.09 0.00 0.00 0.00 0.00 175.76 177.25 3l2h s ALA 103 N 0.95 3.35 0.17 0.00 0.00 -1.26 -4.70 121.76 120.27 3l2h s ALA 103 Ca -0.04 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 3l2h s ALA 103 Cb -0.04 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3l2h s ALA 103 CO -0.12 -0.18 0.40 -3.38 0.00 0.00 0.00 175.76 172.49 3l2h s HIS 104 N -1.25 0.09 0.09 0.00 -0.00 -0.68 -1.61 115.29 111.93 3l2h s HIS 104 Ca 0.47 -0.44 -0.17 0.00 -0.00 0.00 0.00 55.06 54.92 3l2h s HIS 104 Cb -0.30 0.18 0.04 0.00 -0.00 0.00 0.00 32.58 32.49 3l2h s HIS 104 CO 0.39 -0.80 0.41 -1.54 -0.00 0.00 0.00 174.74 173.20 3l2h s SER 105 N -2.90 -0.26 -0.06 7.38 1.04 -0.29 -1.95 113.70 116.66 3l2h s SER 105 Ca 0.11 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.43 3l2h s SER 105 Cb 0.01 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 3l2h s SER 105 CO -0.03 -0.77 -0.24 -0.63 0.98 0.00 0.00 173.24 172.55 3l2h s ILE 106 N -3.21 2.18 0.01 -1.02 1.01 -1.26 -0.59 121.20 118.31 3l2h s ILE 106 Ca -0.01 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.70 3l2h s ILE 106 Cb 0.01 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3l2h s ILE 106 CO -0.08 0.57 -0.24 -0.55 0.00 0.00 0.00 174.94 174.64 3l2h s SER 107 N -0.19 2.83 -0.59 3.58 0.15 -0.37 -0.01 113.70 119.10 3l2h s SER 107 Ca -0.02 -0.48 -0.15 0.00 0.70 0.00 0.00 55.95 56.00 3l2h s SER 107 Cb -0.13 -0.29 0.15 0.00 -1.71 0.00 0.00 66.02 64.03 3l2h s SER 107 CO 0.03 0.26 0.54 0.21 1.20 0.00 0.00 173.24 175.49 3l2h s ASN 108 N -0.81 6.25 -0.26 5.45 3.84 -0.39 -0.10 114.94 128.92 3l2h s ASN 108 Ca 0.10 -2.00 0.13 0.00 0.21 0.00 0.00 52.86 51.29 3l2h s ASN 108 Cb -0.09 -2.19 0.66 0.00 -0.55 0.00 0.00 41.25 39.08 3l2h s ASN 108 CO 0.00 -0.78 1.63 0.47 -2.79 0.00 0.00 177.10 175.64 3l2h n ASP 109 N 4.93 4.34 -0.83 -4.21 8.00 -1.26 -0.09 116.55 127.43 3l2h n ASP 109 Ca -0.07 -3.20 0.00 0.00 0.71 0.00 0.00 54.79 52.23 3l2h n ASP 109 Cb 0.41 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 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 -0.30 1.26 0.00 0.44 0.00 -1.26 -4.97 105.19 100.35 3l2h n GLY 110 Ca 0.32 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.10 0.00 -4.16 2.61 -2.24 -1.26 -4.72 114.28 104.41 3l2h n THR 111 Ca 0.00 -0.36 -0.26 0.00 -2.27 0.00 0.00 64.05 61.15 3l2h n THR 111 Cb 0.00 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 3l2h n THR 111 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3l2h s GLU 112 N -1.50 2.62 0.34 -0.78 2.12 -1.26 -4.89 118.70 115.35 3l2h s GLU 112 Ca 0.01 -1.02 -0.28 0.00 0.36 0.00 0.00 54.97 54.04 3l2h s GLU 112 Cb 0.03 -2.47 -0.12 0.00 0.26 0.00 0.00 34.13 31.83 3l2h s GLU 112 CO 0.17 0.46 1.36 2.41 -0.54 0.00 0.00 175.26 179.12 3l2h n THR 113 N -0.27 1.86 -3.41 -1.70 -1.04 -1.26 -4.51 114.28 103.96 3l2h n THR 113 Ca -0.09 -0.47 -0.39 0.00 -2.04 0.00 0.00 64.05 61.07 3l2h n THR 113 Cb 0.55 -1.67 -0.09 0.00 -1.82 0.00 0.00 70.33 67.30 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 -1.13 4.08 -0.14 -4.42 2.96 0.26 -3.92 118.68 116.37 3l2h s LEU 114 Ca 0.56 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 3l2h s LEU 114 Cb -0.55 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 43.71 3l2h s LEU 114 CO 0.61 -0.13 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.60 3l2h s VAL 115 N 1.76 2.01 0.04 1.68 1.01 -0.15 -0.62 120.40 126.13 3l2h s VAL 115 Ca 0.16 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 3l2h s VAL 115 Cb -0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3l2h s VAL 115 CO 0.09 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.69 3l2h s LEU 117 N -2.14 4.26 -0.16 0.00 1.43 0.22 -0.58 118.68 121.72 3l2h s LEU 117 Ca -0.05 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 3l2h s LEU 117 Cb -0.02 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 3l2h s LEU 117 CO -0.05 0.05 -0.11 -0.69 0.23 0.00 0.00 176.35 175.78 3l2h s VAL 118 N 0.53 3.07 -0.11 -1.59 1.01 0.39 -0.37 120.40 123.33 3l2h s VAL 118 Ca 0.22 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3l2h s VAL 118 Cb -0.14 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3l2h s VAL 118 CO 0.07 0.50 -0.17 -0.63 0.00 0.00 0.00 175.10 174.87 3l2h s ILE 119 N 0.71 1.61 0.07 2.22 1.01 0.08 -0.80 121.20 126.09 3l2h s ILE 119 Ca -0.05 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 3l2h s ILE 119 Cb -0.15 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.89 3l2h s ILE 119 CO 0.02 0.46 0.31 -0.83 0.00 0.00 0.00 174.94 174.90 3l2h s GLY 120 N 0.82 -0.12 0.44 6.18 0.00 0.14 -0.33 107.32 114.46 3l2h s GLY 120 Ca -0.10 -0.10 -0.22 0.00 0.00 0.00 0.00 44.72 44.31 3l2h s GLY 120 CO 0.01 -0.32 1.05 1.20 0.00 0.00 0.00 173.10 175.04 3l2h s GLN 121 N -3.00 3.96 -0.33 2.90 -0.21 -0.90 0.19 119.66 122.26 3l2h s GLN 121 Ca -0.02 1.47 -0.01 0.00 0.02 0.00 0.00 55.36 56.82 3l2h s GLN 121 Cb 0.01 -2.32 0.08 0.00 1.00 0.00 0.00 33.01 31.77 3l2h s GLN 121 CO -0.06 -0.31 0.05 1.03 -2.12 0.00 0.00 175.29 173.88 3l2h s ARG 122 N -2.85 2.13 0.15 2.91 0.52 0.08 -4.65 118.95 117.24 3l2h s ARG 122 Ca 0.63 -1.53 0.09 0.00 -0.52 0.00 0.00 55.73 54.39 3l2h s ARG 122 Cb -0.20 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 3l2h s ARG 122 CO 0.25 -0.79 -0.12 -0.51 0.02 0.00 0.00 175.30 174.14 3l2h s LEU 123 N 1.15 2.89 0.44 2.53 1.43 -1.26 -4.80 118.68 121.05 3l2h s LEU 123 Ca 0.01 -0.55 0.22 0.00 -1.03 0.00 0.00 54.13 52.77 3l2h s LEU 123 Cb -0.20 -1.64 0.99 0.00 0.03 0.00 0.00 46.19 45.37 3l2h s LEU 123 CO -0.04 0.14 1.88 0.44 0.23 0.00 0.00 176.35 179.00 3l2h h ASP 124 N 3.25 0.00 -3.50 2.29 3.32 -1.99 -3.44 116.42 116.35 3l2h h ASP 124 Ca -0.48 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.09 3l2h h ASP 124 Cb 1.19 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.41 3l2h h ASP 124 CO 0.51 0.26 -0.80 -1.10 -1.72 0.00 0.00 179.24 176.39 3l2h s GLN 125 N -3.88 1.40 0.13 3.56 -0.21 -1.26 -0.42 119.66 118.98 3l2h s GLN 125 Ca -0.01 -0.34 -0.14 0.00 0.02 0.00 0.00 55.36 54.89 3l2h s GLN 125 Cb 0.12 -1.21 0.02 0.00 1.00 0.00 0.00 33.01 32.94 3l2h s GLN 125 CO 0.65 0.02 0.37 0.34 -2.12 0.00 0.00 175.29 174.55 3l2h s ASP 126 N 0.62 -0.14 -0.06 5.90 2.15 -0.59 -4.80 116.67 119.76 3l2h s ASP 126 Ca -0.12 -0.47 0.03 0.00 0.43 0.00 0.00 52.55 52.42 3l2h s ASP 126 Cb -0.14 0.46 0.01 0.00 -0.30 0.00 0.00 42.92 42.94 3l2h s ASP 126 CO 0.02 -0.87 -0.14 -0.69 -0.17 0.00 0.00 175.17 173.33 3l2h s VAL 127 N -3.85 1.24 -0.06 1.11 1.01 -1.26 -1.34 120.40 117.26 3l2h s VAL 127 Ca 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3l2h s VAL 127 Cb 0.02 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.32 3l2h s VAL 127 CO -0.09 0.37 -0.07 -0.69 0.00 0.00 0.00 175.10 174.63 3l2h s VAL 128 N 0.42 0.74 -0.11 2.92 1.01 0.25 -0.94 120.40 124.69 3l2h s VAL 128 Ca -0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3l2h s VAL 128 Cb -0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3l2h s VAL 128 CO 0.03 0.28 0.15 -1.81 0.00 0.00 0.00 175.10 173.76 3l2h s ASP 129 N 1.01 6.40 -0.64 3.32 1.01 -0.16 -0.45 116.67 127.17 3l2h s ASP 129 Ca -0.09 0.47 0.05 0.00 0.71 0.00 0.00 52.55 53.69 3l2h s ASP 129 Cb -0.14 -2.07 0.16 0.00 1.01 0.00 0.00 42.92 41.87 3l2h s ASP 129 CO -0.00 0.39 0.41 -0.31 0.21 0.00 0.00 175.17 175.88 3l2h s TYR 130 N -1.06 3.43 0.43 4.23 2.02 -0.34 -1.11 117.35 124.94 3l2h s TYR 130 Ca 0.16 -3.28 0.14 0.00 -0.37 0.00 0.00 57.07 53.73 3l2h s TYR 130 Cb -0.12 -2.73 1.03 0.00 -0.40 0.00 0.00 41.96 39.73 3l2h s TYR 130 CO 0.06 -0.61 1.96 -1.35 -1.57 0.00 0.00 175.55 174.04 3l2h h PRO 131 N 5.77 0.41 0.00 -1.71 0.11 -1.82 -0.38 132.00 134.37 3l2h h PRO 131 Ca 0.07 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 3l2h h PRO 131 Cb 0.80 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3l2h h PRO 131 CO 0.71 0.27 -0.40 -0.91 -0.21 0.00 0.00 178.00 177.45 3l2h h ASN 132 N 0.42 0.00 0.43 -2.05 2.35 -1.95 -2.91 115.58 111.87 3l2h h ASN 132 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3l2h h ASN 132 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3l2h h ASN 132 CO -0.09 0.40 -0.95 0.00 -1.65 0.00 0.00 177.43 175.15 3l2h n GLN 133 N -3.49 0.24 -3.58 0.81 1.13 -0.68 -4.98 117.38 106.83 3l2h n GLN 133 Ca 0.00 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.83 3l2h n GLN 133 Cb 0.55 -1.58 0.08 0.00 0.11 0.00 0.00 30.24 29.40 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 -1.89 -2.75 -4.13 1.08 8.25 -0.24 -5.00 115.22 110.55 3l2h n HIS 134 Ca 0.02 1.00 -0.16 0.00 -0.26 0.00 0.00 57.72 58.33 3l2h n HIS 134 Cb 0.42 -5.03 -0.12 0.00 1.12 0.00 0.00 29.99 26.38 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 -6.15 0.71 -0.06 -0.41 1.02 -1.15 -4.54 119.74 109.16 3l2h s LYS 135 Ca 0.48 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.63 3l2h s LYS 135 Cb -0.21 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.49 3l2h s LYS 135 CO 0.73 0.12 -0.24 0.50 -0.92 0.00 0.00 175.35 175.54 3l2h s ARG 136 N -1.79 2.54 -0.22 1.68 3.52 0.13 -1.20 118.95 123.61 3l2h s ARG 136 Ca -0.04 -0.88 -0.07 0.00 -0.13 0.00 0.00 55.73 54.61 3l2h s ARG 136 Cb -0.09 -2.12 -0.03 0.00 -1.56 0.00 0.00 34.95 31.14 3l2h s ARG 136 CO 0.01 0.35 0.06 -1.17 -0.81 0.00 0.00 175.30 173.74 3l2h s LEU 137 N -0.09 3.56 -0.31 -0.88 2.96 0.41 -0.56 118.68 123.76 3l2h s LEU 137 Ca -0.05 -0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 53.66 3l2h s LEU 137 Cb -0.14 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3l2h s LEU 137 CO 0.04 0.06 0.15 -0.31 -1.32 0.00 0.00 176.35 174.98 3l2h s TYR 138 N 1.05 3.18 -0.23 5.38 2.02 0.56 -0.58 117.35 128.72 3l2h s TYR 138 Ca 0.04 -0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 56.10 3l2h s TYR 138 Cb -0.14 -2.36 -0.01 0.00 -0.40 0.00 0.00 41.96 39.05 3l2h s TYR 138 CO 0.03 -0.46 -0.02 0.50 -1.57 0.00 0.00 175.55 174.02 3l2h s ARG 139 N 1.61 3.35 -0.26 -0.62 3.52 -0.45 -0.67 118.95 125.42 3l2h s ARG 139 Ca 0.04 -0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 3l2h s ARG 139 Cb -0.17 -3.07 0.09 0.00 -1.56 0.00 0.00 34.95 30.24 3l2h s ARG 139 CO 0.06 -0.23 0.09 -0.80 -0.81 0.00 0.00 175.30 173.61 3l2h s ASN 140 N 1.49 3.51 -1.27 -2.12 0.01 0.10 -1.55 114.94 115.11 3l2h s ASN 140 Ca 0.05 -1.27 -0.27 0.00 -0.71 0.00 0.00 52.86 50.67 3l2h s ASN 140 Cb -0.15 -0.63 0.03 0.00 0.41 0.00 0.00 41.25 40.92 3l2h s ASN 140 CO -0.02 -0.39 0.58 0.59 -1.51 0.00 0.00 177.10 176.35 3l2h n ASN 141 N 5.03 -3.34 0.00 -1.22 3.02 0.44 -1.22 115.26 117.98 3l2h n ASN 141 Ca -0.05 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3l2h n ASN 141 Cb 0.44 -1.92 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 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 -2.12 3.21 3.65 7.41 0.00 -1.26 -5.00 105.19 111.08 3l2h n GLY 142 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.47 4.20 -0.23 1.61 2.12 -0.35 -5.05 118.70 120.53 3l2h s GLU 143 Ca 0.00 0.70 -0.06 0.00 0.36 0.00 0.00 54.97 55.97 3l2h s GLU 143 Cb 0.00 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 3l2h s GLU 143 CO 0.00 -0.33 0.03 -1.58 -0.54 0.00 0.00 175.26 172.84 3l2h s TRP 144 N 2.21 3.05 -0.21 5.30 0.52 -1.26 -0.72 118.94 127.83 3l2h s TRP 144 Ca 0.30 -0.54 0.02 0.00 0.02 0.00 0.00 56.10 55.90 3l2h s TRP 144 Cb -0.16 -2.18 0.04 0.00 -1.15 0.00 0.00 33.47 30.02 3l2h s TRP 144 CO 0.10 -0.38 -0.15 -0.80 0.02 0.00 0.00 176.95 175.74 3l2h s ASN 145 N 1.47 3.57 -0.18 2.95 0.02 0.15 -5.00 114.94 117.93 3l2h s ASN 145 Ca 0.05 -0.92 -0.04 0.00 -1.02 0.00 0.00 52.86 50.94 3l2h s ASN 145 Cb -0.15 -1.45 -0.02 0.00 0.02 0.00 0.00 41.25 39.65 3l2h s ASN 145 CO 0.02 -0.08 -0.03 -0.22 0.02 0.00 0.00 177.10 176.80 3l2h s LEU 146 N 1.25 3.19 -0.04 0.60 2.96 -1.26 -0.32 118.68 125.06 3l2h s LEU 146 Ca -0.00 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3l2h s LEU 146 Cb -0.16 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.76 3l2h s LEU 146 CO -0.10 0.11 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.28 3l2h s VAL 147 N 0.72 0.71 0.00 1.68 1.01 0.27 -4.98 120.40 119.81 3l2h s VAL 147 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3l2h s VAL 147 Cb -0.14 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3l2h s VAL 147 CO 0.02 0.25 0.00 0.47 0.00 0.00 0.00 175.10 175.84 3l2h n ASP 148 N 3.71 0.00 0.00 3.32 9.92 -1.26 -0.70 116.55 131.54 3l2h n ASP 148 Ca -0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 3l2h n ASP 148 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 3l2h n ASP 148 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3l2h n ALA 150 N -3.00 0.00 0.17 2.24 0.00 -1.26 -3.64 120.51 115.01 3l2h n ALA 150 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3l2h n ALA 150 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 3.52 -4.61 0.00 8.00 -1.26 -4.90 116.55 117.30 3l2h n ASP 151 Ca 0.00 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.13 3l2h n ASP 151 Cb 0.00 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.68 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 -1.37 5.27 -0.44 0.53 1.01 -1.24 -5.05 121.20 119.92 3l2h s ILE 152 Ca 0.41 0.33 -0.21 0.00 0.00 0.00 0.00 60.65 61.18 3l2h s ILE 152 Cb 0.23 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 39.14 3l2h s ILE 152 CO 0.32 0.24 0.68 -0.13 0.00 0.00 0.00 174.94 176.04 3l2h s ARG 153 N 1.70 3.33 -0.55 2.79 1.81 -1.26 -5.01 118.95 121.75 3l2h s ARG 153 Ca 0.10 -0.29 -0.24 0.00 -1.72 0.00 0.00 55.73 53.58 3l2h s ARG 153 Cb -0.15 -3.94 0.04 0.00 -0.45 0.00 0.00 34.95 30.45 3l2h s ARG 153 CO 0.09 -1.02 0.92 0.08 -0.68 0.00 0.00 175.30 174.69 3l2h s VAL 154 N 2.93 4.42 -0.13 3.52 1.01 -1.26 -4.87 120.40 126.01 3l2h s VAL 154 Ca 0.24 0.24 0.16 0.00 0.00 0.00 0.00 61.98 62.63 3l2h s VAL 154 Cb -0.14 -4.53 -0.10 0.00 0.00 0.00 0.00 36.38 31.62 3l2h s VAL 154 CO 0.20 -1.09 0.94 -0.07 0.00 0.00 0.00 175.10 175.07 3l2h h LEU 155 N 10.89 0.00 -7.07 3.92 3.38 -2.06 -3.47 115.31 120.90 3l2h h LEU 155 Ca -0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3l2h h LEU 155 Cb 1.07 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.63 3l2h h LEU 155 CO 1.08 0.56 0.12 -0.13 0.09 0.00 0.00 178.44 180.16 3l2h s ARG 156 N -2.94 1.01 0.25 1.13 0.52 -1.26 -5.19 118.95 112.47 3l2h s ARG 156 Ca -0.02 0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 3l2h s ARG 156 Cb 0.09 0.47 -0.05 0.00 0.52 0.00 0.00 34.95 35.98 3l2h s ARG 156 CO 0.80 -0.31 0.07 -1.83 0.02 0.00 0.00 175.30 174.05 3l2h s GLU 157 N -1.28 1.37 0.00 3.54 -1.05 -1.26 -5.23 118.70 114.80 3l2h s GLU 157 Ca -0.11 -1.73 0.23 0.00 -0.15 0.00 0.00 54.97 53.21 3l2h s GLU 157 Cb -0.01 -0.33 0.18 0.00 -0.44 0.00 0.00 34.13 33.53 3l2h s GLU 157 CO 0.09 -0.24 1.22 -0.35 0.95 0.00 0.00 175.26 176.92