#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 -0.56 1.61 5.68 -1.26 -3.90 116.55 118.13 3l2h n ASP 2 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 3l2h n ASP 2 Cb 0.00 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.05 3l2h n ASP 2 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3l2h n THR 3 N 0.04 0.17 0.16 2.12 -2.24 -1.26 -4.36 114.28 108.91 3l2h n THR 3 Ca 0.00 -0.58 0.14 0.00 -2.27 0.00 0.00 64.05 61.33 3l2h n THR 3 Cb 0.00 1.14 0.68 0.00 -2.10 0.00 0.00 70.33 70.06 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 2.51 0.00 0.00 -0.78 9.65 -1.96 -1.87 114.38 121.93 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 0.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3l2h h ARG 4 CO 0.00 0.00 0.00 0.36 2.80 0.00 0.00 179.97 183.13 3l2h n LYS 5 N -4.40 0.10 0.17 0.20 0.00 -1.26 -1.89 118.16 111.08 3l2h n LYS 5 Ca 0.02 0.43 0.13 0.00 -0.00 0.00 0.00 58.31 58.89 3l2h n LYS 5 Cb 0.30 -1.72 0.34 0.00 -0.00 0.00 0.00 35.03 33.95 3l2h n LYS 5 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3l2h h LEU 6 N 0.00 0.00 -9.20 -5.58 3.38 -1.65 -3.42 115.31 98.84 3l2h h LEU 6 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3l2h h LEU 6 Cb 0.19 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.82 3l2h h LEU 6 CO 0.00 0.00 -0.48 -0.22 0.09 0.00 0.00 178.44 177.83 3l2h s LEU 7 N -5.36 4.17 -0.34 1.67 2.96 -0.79 -4.93 118.68 116.06 3l2h s LEU 7 Ca 0.08 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 3l2h s LEU 7 Cb 0.09 -2.13 0.08 0.00 0.50 0.00 0.00 46.19 44.73 3l2h s LEU 7 CO 0.61 0.12 0.06 -0.76 -1.32 0.00 0.00 176.35 175.06 3l2h s LEU 8 N 0.67 4.50 0.78 -0.68 1.43 -1.26 -5.02 118.68 119.10 3l2h s LEU 8 Ca 0.09 -1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 51.31 3l2h s LEU 8 Cb -0.12 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.45 3l2h s LEU 8 CO 0.01 -0.37 1.08 0.42 0.23 0.00 0.00 176.35 177.72 3l2h s THR 9 N 1.10 3.35 0.26 5.49 -4.23 -1.26 -4.78 115.64 115.57 3l2h s THR 9 Ca 0.03 0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.96 3l2h s THR 9 Cb -0.21 -3.07 0.24 0.00 1.34 0.00 0.00 72.50 70.80 3l2h s THR 9 CO -0.04 -0.57 1.73 0.00 -0.54 0.00 0.00 174.62 175.20 3l2h h ALA 10 N -1.07 1.22 -0.18 3.99 0.00 -1.99 -0.15 119.26 121.07 3l2h h ALA 10 Ca -0.46 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 3l2h h ALA 10 Cb 1.24 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3l2h h ALA 10 CO 0.56 -0.20 -0.58 0.37 0.00 0.00 0.00 179.25 179.39 3l2h h GLN 11 N 0.49 0.58 -0.68 0.00 4.15 -1.99 0.54 115.11 118.21 3l2h h GLN 11 Ca 0.46 -0.38 0.02 0.00 0.77 0.00 0.00 58.65 59.52 3l2h h GLN 11 Cb 0.74 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 3l2h h GLN 11 CO -0.42 1.00 0.44 0.93 -1.93 0.00 0.00 178.83 178.84 3l2h h GLU 12 N 0.44 0.85 -0.22 1.69 5.08 -1.67 -1.77 114.58 118.97 3l2h h GLU 12 Ca 0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3l2h h GLU 12 Cb 1.14 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3l2h h GLU 12 CO 0.11 0.56 -0.01 0.82 -1.00 0.00 0.00 179.01 179.49 3l2h h ILE 13 N 0.87 1.26 -0.21 3.13 2.04 -0.78 -3.06 117.51 120.77 3l2h h ILE 13 Ca 0.26 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 3l2h h ILE 13 Cb -0.04 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3l2h h ILE 13 CO -0.08 0.28 -0.09 0.77 0.00 0.00 0.00 178.15 179.03 3l2h h SER 14 N 0.15 0.31 -1.19 1.72 4.64 -0.73 -3.45 113.55 114.99 3l2h h SER 14 Ca 0.06 -0.06 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3l2h h SER 14 Cb 0.42 -0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 62.35 3l2h h SER 14 CO 0.01 0.44 1.24 -0.13 -0.87 0.00 0.00 176.83 177.52 3l2h s ARG 15 N -4.80 3.22 0.00 4.77 0.52 -0.68 -5.08 118.95 116.90 3l2h s ARG 15 Ca -0.06 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 3l2h s ARG 15 Cb 0.15 -5.10 0.00 0.00 0.52 0.00 0.00 34.95 30.53 3l2h s ARG 15 CO 0.74 -2.54 0.00 1.63 0.02 0.00 0.00 175.30 175.15 3l2h n LYS 17 N 8.95 1.68 -0.03 3.54 4.01 -1.26 -5.09 118.16 129.95 3l2h n LYS 17 Ca 0.31 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 3l2h n LYS 17 Cb 0.50 -0.99 -0.00 0.00 -0.51 0.00 0.00 35.03 34.03 3l2h n LYS 17 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3l2h n GLY 18 N 3.24 -2.25 3.40 0.72 0.00 -1.26 -4.86 105.19 104.18 3l2h n GLY 18 Ca 0.00 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.96 2.42 -0.48 1.61 0.41 0.84 -4.88 118.70 117.65 3l2h s GLU 19 Ca 0.00 -0.79 -0.29 0.00 -0.41 0.00 0.00 54.97 53.48 3l2h s GLU 19 Cb 0.00 -2.26 0.02 0.00 -1.78 0.00 0.00 34.13 30.12 3l2h s GLU 19 CO 0.00 0.56 1.26 -1.58 -0.49 0.00 0.00 175.26 175.02 3l2h s HIS 20 N -0.59 2.59 -0.13 1.61 5.65 -1.26 -0.65 115.29 122.52 3l2h s HIS 20 Ca 0.09 0.63 -0.03 0.00 0.25 0.00 0.00 55.06 56.00 3l2h s HIS 20 Cb -0.11 -4.41 -0.03 0.00 -1.18 0.00 0.00 32.58 26.85 3l2h s HIS 20 CO 0.00 -1.62 -0.01 0.15 -0.65 0.00 0.00 174.74 172.62 3l2h s LYS 21 N 4.80 3.38 -0.07 2.88 1.02 -0.68 -4.99 119.74 126.08 3l2h s LYS 21 Ca 0.52 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 56.07 3l2h s LYS 21 Cb -0.10 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.35 3l2h s LYS 21 CO 0.31 0.46 -0.09 0.08 -0.92 0.00 0.00 175.35 175.19 3l2h s VAL 22 N -0.22 0.93 0.28 3.17 1.01 -1.26 -1.36 120.40 122.96 3l2h s VAL 22 Ca 0.05 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3l2h s VAL 22 Cb -0.13 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.25 3l2h s VAL 22 CO 0.02 0.32 1.45 -2.28 0.00 0.00 0.00 175.10 174.61 3l2h s HIS 23 N 1.01 2.95 -0.53 5.22 2.46 -0.70 -4.90 115.29 120.81 3l2h s HIS 23 Ca -0.09 1.06 0.22 0.00 0.47 0.00 0.00 55.06 56.72 3l2h s HIS 23 Cb -0.15 -3.85 0.94 0.00 -0.13 0.00 0.00 32.58 29.39 3l2h s HIS 23 CO -0.00 -2.71 1.67 1.97 -2.47 0.00 0.00 174.74 173.19 3l2h n PHE 24 N 1.96 0.69 0.66 3.88 -1.74 -1.26 -1.88 117.46 119.78 3l2h n PHE 24 Ca 0.06 0.28 0.09 0.00 -0.56 0.00 0.00 57.45 57.31 3l2h n PHE 24 Cb 0.40 -0.95 0.09 0.00 1.52 0.00 0.00 39.48 40.53 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 -2.14 2.53 -3.34 5.98 4.77 -1.26 -4.89 117.00 118.66 3l2h n LEU 25 Ca 0.02 -1.07 -0.10 0.00 -0.03 0.00 0.00 56.01 54.83 3l2h n LEU 25 Cb 0.20 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3l2h n LEU 25 CO 0.18 0.46 -0.07 0.21 -1.33 0.00 0.00 177.39 176.84 3l2h s ASN 26 N -1.43 0.46 0.29 -1.43 3.84 -0.79 -4.97 114.94 110.92 3l2h s ASN 26 Ca 0.22 -0.15 0.25 0.00 0.21 0.00 0.00 52.86 53.39 3l2h s ASN 26 Cb 0.15 1.04 1.01 0.00 -0.55 0.00 0.00 41.25 42.90 3l2h s ASN 26 CO 0.22 -0.33 1.75 1.55 -2.79 0.00 0.00 177.10 177.50 3l2h h PRO 27 N 8.18 0.00 0.00 0.43 0.13 -1.91 -1.55 132.00 137.29 3l2h h PRO 27 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3l2h h PRO 27 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3l2h h PRO 27 CO 0.28 0.00 -0.10 0.41 -0.23 0.00 0.00 178.00 178.35 3l2h n GLY 28 N 0.12 -1.47 3.45 1.56 0.00 -1.26 -4.55 105.19 103.04 3l2h n GLY 28 Ca 0.02 -0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 3l2h n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3l2h n ALA 29 N -1.53 3.92 -3.28 4.61 0.00 -0.58 -1.37 120.51 122.28 3l2h n ALA 29 Ca 0.07 -4.26 -0.32 0.00 0.00 0.00 0.00 53.44 48.92 3l2h n ALA 29 Cb 0.35 -3.03 -0.16 0.00 0.00 0.00 0.00 19.45 16.60 3l2h n ALA 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3l2h s VAL 30 N 1.43 2.23 0.20 0.00 1.01 -1.18 -1.71 120.40 122.38 3l2h s VAL 30 Ca 0.42 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 3l2h s VAL 30 Cb -0.03 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3l2h s VAL 30 CO -0.00 0.55 0.33 0.00 0.00 0.00 0.00 175.10 175.98 3l2h s ARG 31 N 0.44 1.32 -0.24 2.72 3.03 -0.46 -4.53 118.95 121.22 3l2h s ARG 31 Ca -0.15 -1.29 -0.13 0.00 2.03 0.00 0.00 55.73 56.19 3l2h s ARG 31 Cb -0.17 0.39 -0.05 0.00 -1.03 0.00 0.00 34.95 34.10 3l2h s ARG 31 CO 0.06 -0.50 0.26 0.08 -1.13 0.00 0.00 175.30 174.07 3l2h s VAL 32 N -4.02 5.28 -0.19 4.99 1.01 -0.40 -1.68 120.40 125.40 3l2h s VAL 32 Ca 0.23 0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.59 3l2h s VAL 32 Cb 0.02 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.82 3l2h s VAL 32 CO 0.06 0.29 -0.15 0.21 0.00 0.00 0.00 175.10 175.50 3l2h s ASN 33 N 1.19 3.52 -0.35 3.32 2.47 0.17 -1.29 114.94 123.98 3l2h s ASN 33 Ca 0.12 -0.55 -0.06 0.00 0.42 0.00 0.00 52.86 52.78 3l2h s ASN 33 Cb -0.14 -1.56 0.05 0.00 -1.45 0.00 0.00 41.25 38.14 3l2h s ASN 33 CO 0.07 0.01 0.12 -0.54 -3.72 0.00 0.00 177.10 173.03 3l2h s LYS 34 N 1.27 2.57 -0.82 0.43 1.02 -0.42 -0.11 119.74 123.67 3l2h s LYS 34 Ca 0.03 -1.25 -0.21 0.00 0.02 0.00 0.00 55.97 54.57 3l2h s LYS 34 Cb -0.14 -3.48 0.10 0.00 -0.52 0.00 0.00 37.83 33.79 3l2h s LYS 34 CO -0.08 -0.71 1.08 0.45 -0.92 0.00 0.00 175.35 175.16 3l2h s SER 35 N 1.49 6.42 0.17 2.83 0.15 -1.26 -1.11 113.70 122.39 3l2h s SER 35 Ca -0.01 -1.55 -0.11 0.00 0.70 0.00 0.00 55.95 54.98 3l2h s SER 35 Cb -0.20 -2.42 0.06 0.00 -1.71 0.00 0.00 66.02 61.75 3l2h s SER 35 CO 0.02 -1.26 1.67 -0.07 1.20 0.00 0.00 173.24 174.80 3l2h h LEU 36 N 11.00 0.88 -0.68 3.45 3.38 -1.37 -2.17 115.31 129.80 3l2h h LEU 36 Ca -0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3l2h h LEU 36 Cb 1.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3l2h h LEU 36 CO 1.16 0.90 0.33 1.23 0.09 0.00 0.00 178.44 182.15 3l2h h GLY 37 N 0.83 1.04 1.72 0.83 0.00 -1.73 -2.51 103.07 103.24 3l2h h GLY 37 Ca 0.18 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 3l2h h GLY 37 CO 0.01 0.49 -0.48 -0.55 0.00 0.00 0.00 176.54 176.00 3l2h h ASP 38 N 0.94 0.33 -0.58 0.19 3.32 -1.76 0.80 116.42 119.65 3l2h h ASP 38 Ca 0.23 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3l2h h ASP 38 Cb 0.11 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3l2h h ASP 38 CO -0.03 0.76 0.37 0.00 -1.72 0.00 0.00 179.24 178.62 3l2h h ALA 39 N 1.25 1.54 0.00 3.45 0.00 -1.07 -2.90 119.26 121.52 3l2h h ALA 39 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3l2h h ALA 39 Cb 0.94 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3l2h h ALA 39 CO 0.08 0.41 -1.10 1.33 0.00 0.00 0.00 179.25 179.97 3l2h n VAL 40 N -4.43 0.03 0.00 0.00 0.24 -0.98 -4.96 118.33 108.24 3l2h n VAL 40 Ca 0.06 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3l2h n VAL 40 Cb 0.06 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 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 1.45 1.20 3.76 7.63 0.00 -0.19 -4.83 105.19 114.21 3l2h n GLY 41 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 4.41 -0.01 0.99 1.43 0.10 -4.93 118.68 120.67 3l2h s LEU 42 Ca 0.00 2.69 0.04 0.00 -1.03 0.00 0.00 54.13 55.84 3l2h s LEU 42 Cb 0.00 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 3l2h s LEU 42 CO 0.00 -0.61 0.08 0.54 0.23 0.00 0.00 176.35 176.60 3l2h n ARG 43 N 1.30 0.49 -0.84 1.70 1.74 -1.26 -4.49 116.66 115.31 3l2h n ARG 43 Ca 0.02 -0.03 0.05 0.00 -0.77 0.00 0.00 57.85 57.12 3l2h n ARG 43 Cb 0.41 -1.10 0.36 0.00 -1.02 0.00 0.00 32.46 31.12 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 -1.70 1.95 -3.71 -1.55 8.25 -1.26 -4.79 115.22 112.41 3l2h n HIS 44 Ca -0.01 -0.70 -0.13 0.00 -0.26 0.00 0.00 57.72 56.61 3l2h n HIS 44 Cb 0.17 -0.50 -0.13 0.00 1.12 0.00 0.00 29.99 30.65 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 -0.72 -0.10 -0.14 -1.41 0.00 0.46 0.08 107.32 105.49 3l2h s GLY 46 Ca 0.50 0.91 -0.00 0.00 0.00 0.00 0.00 44.72 46.13 3l2h s GLY 46 CO 0.14 1.44 -0.08 -0.42 0.00 0.00 0.00 173.10 174.19 3l2h s ILE 47 N 1.63 1.19 -0.05 0.90 1.01 -1.26 -1.07 121.20 123.54 3l2h s ILE 47 Ca -0.06 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3l2h s ILE 47 Cb -0.11 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.12 3l2h s ILE 47 CO -0.08 0.28 -0.12 -1.00 0.00 0.00 0.00 174.94 174.02 3l2h s HIS 48 N 1.62 1.38 -0.32 3.97 3.76 0.15 -0.86 115.29 125.00 3l2h s HIS 48 Ca 0.03 -0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 54.34 3l2h s HIS 48 Cb -0.14 -1.00 -0.02 0.00 1.11 0.00 0.00 32.58 32.53 3l2h s HIS 48 CO -0.08 -0.23 0.31 -1.17 -0.85 0.00 0.00 174.74 172.72 3l2h s LEU 49 N 0.50 4.32 0.11 0.89 0.20 -0.27 0.00 118.68 124.42 3l2h s LEU 49 Ca -0.11 -0.14 0.09 0.00 0.69 0.00 0.00 54.13 54.66 3l2h s LEU 49 Cb -0.14 -2.28 -0.04 0.00 -0.43 0.00 0.00 46.19 43.30 3l2h s LEU 49 CO 0.03 -0.24 -0.20 0.27 -0.29 0.00 0.00 176.35 175.91 3l2h s ILE 50 N 1.93 2.71 -0.10 6.68 -4.36 0.44 -1.30 121.20 127.20 3l2h s ILE 50 Ca 0.10 -1.50 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 3l2h s ILE 50 Cb -0.16 -2.21 0.01 0.00 1.25 0.00 0.00 42.46 41.35 3l2h s ILE 50 CO 0.11 0.14 -0.15 -1.10 0.24 0.00 0.00 174.94 174.19 3l2h s GLN 51 N -1.99 2.15 -0.20 0.37 -0.21 -0.41 -1.84 119.66 117.53 3l2h s GLN 51 Ca 0.17 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.02 3l2h s GLN 51 Cb -0.10 -1.84 0.03 0.00 1.00 0.00 0.00 33.01 32.10 3l2h s GLN 51 CO 0.08 -0.06 -0.17 0.42 -2.12 0.00 0.00 175.29 173.44 3l2h s ILE 52 N 0.98 2.11 0.62 1.08 1.01 0.04 -1.27 121.20 125.77 3l2h s ILE 52 Ca -0.07 -1.15 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 3l2h s ILE 52 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3l2h s ILE 52 CO -0.01 0.37 1.03 -1.61 0.00 0.00 0.00 174.94 174.72 3l2h s GLU 53 N 1.23 3.45 0.23 2.79 0.41 -1.26 -0.70 118.70 124.86 3l2h s GLU 53 Ca 0.01 0.88 -0.31 0.00 -0.41 0.00 0.00 54.97 55.13 3l2h s GLU 53 Cb -0.15 -2.06 -0.14 0.00 -1.78 0.00 0.00 34.13 30.00 3l2h s GLU 53 CO -0.10 -0.68 1.31 -2.30 -0.49 0.00 0.00 175.26 172.99 3l2h n PRO 54 N -2.59 1.76 -0.18 0.39 -0.02 -1.26 -1.36 135.00 131.73 3l2h n PRO 54 Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3l2h n PRO 54 Cb 0.54 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.01 1.21 3.88 -1.23 0.00 0.92 -5.03 105.19 106.95 3l2h n GLY 55 Ca 0.12 0.00 -0.24 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 -0.51 2.33 0.19 1.61 -0.14 -0.47 -4.91 119.74 117.84 3l2h s LYS 56 Ca 0.00 -1.85 0.03 0.00 -1.36 0.00 0.00 55.97 52.79 3l2h s LYS 56 Cb 0.00 -2.19 -0.05 0.00 -1.68 0.00 0.00 37.83 33.92 3l2h s LYS 56 CO 0.00 -0.46 -0.04 -1.21 -0.76 0.00 0.00 175.35 172.89 3l2h s GLU 57 N -4.22 1.18 0.32 1.68 2.02 -0.47 -1.27 118.70 117.95 3l2h s GLU 57 Ca 0.40 -1.56 0.19 0.00 0.02 0.00 0.00 54.97 54.02 3l2h s GLU 57 Cb -0.02 -0.53 0.16 0.00 0.10 0.00 0.00 34.13 33.84 3l2h s GLU 57 CO 0.24 -0.05 1.42 0.66 0.02 0.00 0.00 175.26 177.56 3l2h h SER 58 N 2.63 0.00 -5.66 -0.19 4.64 -0.85 -3.13 113.55 110.99 3l2h h SER 58 Ca -0.37 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.22 3l2h h SER 58 Cb 1.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 3l2h h SER 58 CO 0.64 0.25 0.77 0.28 -0.87 0.00 0.00 176.83 177.89 3l2h s THR 59 N -3.10 0.00 -0.10 2.95 -1.32 -1.26 -4.91 115.64 107.89 3l2h s THR 59 Ca 0.04 -0.34 -0.18 0.00 -1.21 0.00 0.00 61.69 60.00 3l2h s THR 59 Cb 0.07 -2.84 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 3l2h s THR 59 CO 0.72 0.00 0.49 -0.70 -2.21 0.00 0.00 174.62 172.93 3l2h s GLU 60 N -2.13 4.33 -0.42 7.08 2.56 -1.26 -4.70 118.70 124.15 3l2h s GLU 60 Ca 0.25 0.49 -0.39 0.00 0.00 0.00 0.00 54.97 55.32 3l2h s GLU 60 Cb -0.01 -3.42 -0.17 0.00 2.00 0.00 0.00 34.13 32.53 3l2h s GLU 60 CO 0.01 0.19 1.41 0.98 -0.56 0.00 0.00 175.26 177.29 3l2h n TYR 61 N 3.53 1.39 -3.81 5.30 9.36 -1.26 -4.90 117.16 126.77 3l2h n TYR 61 Ca -0.07 0.91 -0.10 0.00 3.32 0.00 0.00 57.90 61.96 3l2h n TYR 61 Cb 0.52 -1.87 -0.05 0.00 -0.63 0.00 0.00 39.34 37.31 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 2.90 0.08 -0.05 2.98 -3.43 -0.84 -4.06 115.29 112.87 3l2h s HIS 62 Ca 0.89 -0.43 -0.01 0.00 -0.80 0.00 0.00 55.06 54.72 3l2h s HIS 62 Cb -1.25 0.18 0.03 0.00 -1.43 0.00 0.00 32.58 30.11 3l2h s HIS 62 CO 0.66 -0.79 0.00 -1.17 -2.00 0.00 0.00 174.74 171.44 3l2h s LEU 63 N -2.90 0.76 0.07 5.38 2.96 -0.52 -1.55 118.68 122.89 3l2h s LEU 63 Ca 0.11 -0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 53.80 3l2h s LEU 63 Cb 0.01 -0.34 -0.06 0.00 0.50 0.00 0.00 46.19 46.29 3l2h s LEU 63 CO -0.03 -0.16 0.53 -1.00 -1.32 0.00 0.00 176.35 174.36 3l2h s HIS 64 N 1.63 3.74 -0.13 5.38 3.76 -1.26 -0.58 115.29 127.82 3l2h s HIS 64 Ca -0.01 1.16 0.19 0.00 -0.15 0.00 0.00 55.06 56.25 3l2h s HIS 64 Cb -0.13 -2.42 -0.18 0.00 1.11 0.00 0.00 32.58 30.96 3l2h s HIS 64 CO -0.03 0.57 0.65 0.72 -0.85 0.00 0.00 174.74 175.79 3l2h n HIS 65 N 1.52 0.61 0.00 1.40 -0.00 -0.03 -1.08 115.22 117.65 3l2h n HIS 65 Ca -0.10 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 3l2h n HIS 65 Cb 0.51 -0.94 0.00 0.00 -0.00 0.00 0.00 29.99 29.56 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 -2.71 0.00 -2.96 4.41 4.01 -1.26 -4.43 117.16 114.21 3l2h n TYR 66 Ca -0.11 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.22 3l2h n TYR 66 Cb 0.81 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.79 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 -1.59 4.37 0.60 -0.72 2.02 -1.26 -4.87 118.70 117.25 3l2h s GLU 67 Ca 0.00 0.95 -0.15 0.00 0.02 0.00 0.00 54.97 55.79 3l2h s GLU 67 Cb 0.00 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 3l2h s GLU 67 CO 0.00 -0.13 1.06 -1.21 0.02 0.00 0.00 175.26 175.00 3l2h s GLU 68 N 1.46 3.29 0.01 1.61 2.02 -1.26 -4.68 118.70 121.15 3l2h s GLU 68 Ca 0.38 1.19 -0.10 0.00 0.02 0.00 0.00 54.97 56.46 3l2h s GLU 68 Cb -0.17 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.04 3l2h s GLU 68 CO 0.16 -0.84 0.20 -2.00 0.02 0.00 0.00 175.26 172.80 3l2h s GLU 69 N -4.13 0.60 0.12 1.61 2.12 -1.15 -1.82 118.70 116.06 3l2h s GLU 69 Ca 0.63 -0.43 -0.15 0.00 0.36 0.00 0.00 54.97 55.38 3l2h s GLU 69 Cb -0.16 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.52 3l2h s GLU 69 CO 0.38 -0.16 0.38 0.00 -0.54 0.00 0.00 175.26 175.31 3l2h s ALA 70 N -1.79 -0.84 -0.03 6.30 0.00 0.11 -0.13 121.76 125.38 3l2h s ALA 70 Ca -0.11 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.74 3l2h s ALA 70 Cb -0.05 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.76 3l2h s ALA 70 CO 0.00 -0.63 -0.06 0.08 0.00 0.00 0.00 175.76 175.16 3l2h s VAL 71 N -3.81 0.55 -0.14 0.00 1.01 0.84 -1.14 120.40 117.71 3l2h s VAL 71 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3l2h s VAL 71 Cb 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.89 3l2h s VAL 71 CO -0.12 0.20 -0.15 -0.47 0.00 0.00 0.00 175.10 174.56 3l2h s TYR 72 N 0.45 2.14 -0.19 5.22 5.04 0.28 -1.44 117.35 128.86 3l2h s TYR 72 Ca -0.06 -1.16 -0.25 0.00 -2.44 0.00 0.00 57.07 53.16 3l2h s TYR 72 Cb -0.10 -1.57 -0.01 0.00 0.35 0.00 0.00 41.96 40.64 3l2h s TYR 72 CO 0.00 -0.62 0.83 0.08 -1.34 0.00 0.00 175.55 174.50 3l2h s VAL 73 N 1.34 4.87 -0.18 3.14 1.01 -0.60 -0.69 120.40 129.29 3l2h s VAL 73 Ca 0.02 1.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 3l2h s VAL 73 Cb -0.13 -4.13 -0.22 0.00 0.00 0.00 0.00 36.38 31.90 3l2h s VAL 73 CO -0.08 0.00 0.13 0.18 0.00 0.00 0.00 175.10 175.32 3l2h n LEU 74 N 5.43 2.57 -3.60 3.92 4.77 0.64 -0.51 117.00 130.23 3l2h n LEU 74 Ca 0.05 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3l2h n LEU 74 Cb 0.48 -1.02 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 3l2h n LEU 74 CO 0.48 0.78 0.32 -0.94 -1.33 0.00 0.00 177.39 176.70 3l2h s SER 75 N -6.91 -0.38 0.28 -1.43 1.04 -0.75 -4.70 113.70 100.85 3l2h s SER 75 Ca -0.28 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3l2h s SER 75 Cb 0.08 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3l2h s SER 75 CO 0.68 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3l2h n GLY 76 N -0.34 -1.78 3.15 7.32 0.00 -1.26 -0.82 105.19 111.46 3l2h n GLY 76 Ca -0.14 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.01 0.77 0.36 1.61 1.02 -1.26 -3.44 119.74 118.79 3l2h s LYS 77 Ca 0.00 -1.05 -0.04 0.00 0.02 0.00 0.00 55.97 54.90 3l2h s LYS 77 Cb 0.00 -0.49 0.01 0.00 -0.52 0.00 0.00 37.83 36.83 3l2h s LYS 77 CO 0.00 0.08 0.53 0.20 -0.92 0.00 0.00 175.35 175.24 3l2h s GLY 78 N -2.18 1.37 -0.15 -3.33 0.00 -0.61 -4.42 107.32 98.01 3l2h s GLY 78 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.30 3l2h s GLY 78 CO 0.00 -0.90 -0.14 -1.59 0.00 0.00 0.00 173.10 170.46 3l2h s THR 79 N -2.86 1.59 -0.24 0.90 2.01 0.41 -1.19 115.64 116.26 3l2h s THR 79 Ca 0.28 -0.64 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 3l2h s THR 79 Cb -0.01 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 3l2h s THR 79 CO 0.20 0.46 0.36 -0.22 -0.69 0.00 0.00 174.62 174.73 3l2h s LEU 80 N 1.47 4.09 0.46 4.42 2.96 0.19 -1.12 118.68 131.15 3l2h s LEU 80 Ca 0.05 0.36 0.08 0.00 -0.22 0.00 0.00 54.13 54.40 3l2h s LEU 80 Cb -0.13 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.15 3l2h s LEU 80 CO -0.11 -0.12 0.57 -0.89 -1.32 0.00 0.00 176.35 174.48 3l2h s THR 81 N 1.70 2.70 0.00 3.68 2.01 -0.17 -0.30 115.64 125.26 3l2h s THR 81 Ca 0.16 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 61.07 3l2h s THR 81 Cb -0.15 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.57 3l2h s THR 81 CO 0.09 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.40 3l2h n GLU 83 N -1.87 0.00 -0.72 4.92 -0.58 -0.59 -1.84 120.64 119.97 3l2h n GLU 83 Ca 0.08 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.77 3l2h n GLU 83 Cb 0.60 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.68 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 3.91 -4.19 1.62 3.02 -1.26 -4.94 115.26 113.42 3l2h n ASN 84 Ca 0.00 -2.85 -0.19 0.00 -0.03 0.00 0.00 54.58 51.51 3l2h n ASN 84 Cb 0.00 -0.68 -0.12 0.00 -0.61 0.00 0.00 39.78 38.37 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 -0.55 1.78 -0.01 6.41 1.01 -1.26 -5.14 116.67 118.91 3l2h s ASP 85 Ca 0.38 -0.64 0.06 0.00 0.71 0.00 0.00 52.55 53.06 3l2h s ASP 85 Cb 0.30 -0.06 -0.02 0.00 1.01 0.00 0.00 42.92 44.16 3l2h s ASP 85 CO 0.09 -0.07 -0.19 -1.10 0.21 0.00 0.00 175.17 174.11 3l2h s GLN 86 N -1.82 1.54 0.00 8.23 -0.21 -1.26 -4.26 119.66 121.89 3l2h s GLN 86 Ca -0.01 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 54.69 3l2h s GLN 86 Cb -0.10 -1.50 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 3l2h s GLN 86 CO 0.02 0.41 -0.05 0.71 -2.12 0.00 0.00 175.29 174.27 3l2h s TYR 87 N -0.46 0.41 0.36 0.91 1.51 0.60 -4.96 117.35 115.70 3l2h s TYR 87 Ca 0.07 -0.15 -0.25 0.00 -1.01 0.00 0.00 57.07 55.73 3l2h s TYR 87 Cb -0.07 -0.26 -0.09 0.00 -0.11 0.00 0.00 41.96 41.42 3l2h s TYR 87 CO -0.01 -0.03 1.02 -1.25 -1.11 0.00 0.00 175.55 174.18 3l2h s PRO 88 N -0.37 4.37 0.13 -1.71 0.04 -1.26 0.56 135.00 136.74 3l2h s PRO 88 Ca -0.01 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.58 3l2h s PRO 88 Cb -0.03 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3l2h s PRO 88 CO -0.00 0.05 -0.14 0.96 0.04 0.00 0.00 177.00 177.91 3l2h s ILE 89 N -1.58 1.36 0.28 0.56 -4.36 -0.33 -4.83 121.20 112.29 3l2h s ILE 89 Ca 0.53 -1.74 -0.15 0.00 -0.26 0.00 0.00 60.65 59.03 3l2h s ILE 89 Cb -0.22 -1.56 0.01 0.00 1.25 0.00 0.00 42.46 41.93 3l2h s ILE 89 CO 0.28 -0.42 0.58 0.00 0.24 0.00 0.00 174.94 175.62 3l2h s ALA 90 N -2.18 -0.52 0.18 2.27 0.00 -1.26 -1.57 121.76 118.67 3l2h s ALA 90 Ca 0.10 -0.73 -0.33 0.00 0.00 0.00 0.00 51.96 50.99 3l2h s ALA 90 Cb -0.05 0.97 -0.14 0.00 0.00 0.00 0.00 23.12 23.91 3l2h s ALA 90 CO 0.03 -0.92 1.49 -2.30 0.00 0.00 0.00 175.76 174.06 3l2h n PRO 91 N -0.43 2.00 -0.08 0.00 -0.02 -1.22 -1.71 135.00 133.53 3l2h n PRO 91 Ca -0.03 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3l2h n PRO 91 Cb 0.61 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3l2h n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3l2h n GLY 92 N 2.87 1.12 3.80 -1.23 0.00 0.33 -5.01 105.19 107.07 3l2h n GLY 92 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.85 6.14 -0.02 1.61 1.01 -0.70 -4.84 116.67 117.02 3l2h s ASP 93 Ca 0.00 1.85 0.02 0.00 0.71 0.00 0.00 52.55 55.12 3l2h s ASP 93 Cb 0.00 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.39 3l2h s ASP 93 CO 0.00 -0.92 -0.05 0.12 0.21 0.00 0.00 175.17 174.53 3l2h s PHE 94 N -2.24 0.60 -0.03 4.23 5.36 -1.26 -1.56 117.98 123.08 3l2h s PHE 94 Ca 0.65 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.51 3l2h s PHE 94 Cb -0.16 -0.46 0.01 0.00 -0.34 0.00 0.00 43.02 42.07 3l2h s PHE 94 CO 0.28 -0.08 -0.09 0.54 -1.46 0.00 0.00 175.22 174.41 3l2h s VAL 95 N 0.30 0.80 0.04 3.12 0.11 -0.52 -5.00 120.40 119.24 3l2h s VAL 95 Ca -0.03 -0.35 0.07 0.00 -2.93 0.00 0.00 61.98 58.74 3l2h s VAL 95 Cb -0.07 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 3l2h s VAL 95 CO -0.00 0.26 -0.20 -0.83 -3.33 0.00 0.00 175.10 171.00 3l2h s GLY 96 N 0.32 1.07 -0.40 6.54 0.00 -1.26 -0.11 107.32 113.47 3l2h s GLY 96 Ca -0.05 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.68 3l2h s GLY 96 CO 0.01 -0.96 0.13 -1.36 0.00 0.00 0.00 173.10 170.93 3l2h s PHE 97 N -0.80 3.27 0.84 1.90 0.08 0.82 -4.99 117.98 119.09 3l2h s PHE 97 Ca 0.07 -2.90 -0.13 0.00 0.12 0.00 0.00 56.93 54.08 3l2h s PHE 97 Cb -0.09 -2.71 0.08 0.00 -0.57 0.00 0.00 43.02 39.74 3l2h s PHE 97 CO 0.02 -0.87 1.06 -2.30 -0.10 0.00 0.00 175.22 173.04 3l2h n PRO 98 N 3.89 0.02 -1.70 0.24 -0.02 -1.26 -2.91 135.00 133.26 3l2h n PRO 98 Ca 0.04 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 3l2h n PRO 98 Cb 0.38 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.45 0.00 -0.04 0.00 8.25 -0.24 -4.89 115.22 119.75 3l2h n HIS 100 Ca 0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.37 3l2h n HIS 100 Cb 0.34 -2.57 -0.13 0.00 1.12 0.00 0.00 29.99 28.75 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 0.05 -1.78 -1.41 0.00 -1.75 -3.48 119.26 110.89 3l2h h ALA 101 Ca -0.18 -0.73 0.06 0.00 0.00 0.00 0.00 54.91 54.06 3l2h h ALA 101 Cb 1.13 0.20 -0.24 0.00 0.00 0.00 0.00 17.79 18.88 3l2h h ALA 101 CO 0.26 0.30 0.20 0.00 0.00 0.00 0.00 179.25 180.01 3l2h s ALA 102 N -2.32 -2.05 0.41 0.00 0.00 -1.26 -5.05 121.76 111.48 3l2h s ALA 102 Ca -0.20 2.30 -0.25 0.00 0.00 0.00 0.00 51.96 53.81 3l2h s ALA 102 Cb 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 23.12 21.50 3l2h s ALA 102 CO 0.71 -0.36 1.24 0.00 0.00 0.00 0.00 175.76 177.35 3l2h s ALA 103 N 1.41 3.17 0.13 0.00 0.00 -1.26 -4.76 121.76 120.45 3l2h s ALA 103 Ca -0.09 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 3l2h s ALA 103 Cb -0.04 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.66 3l2h s ALA 103 CO -0.16 -0.71 0.35 -3.38 0.00 0.00 0.00 175.76 171.86 3l2h s HIS 104 N -1.35 -0.02 0.14 0.00 -0.00 -0.60 -1.54 115.29 111.92 3l2h s HIS 104 Ca 0.58 -0.33 -0.13 0.00 -0.00 0.00 0.00 55.06 55.18 3l2h s HIS 104 Cb -0.34 0.16 0.02 0.00 -0.00 0.00 0.00 32.58 32.41 3l2h s HIS 104 CO 0.43 -0.70 0.36 -1.54 -0.00 0.00 0.00 174.74 173.29 3l2h s SER 105 N -2.85 -0.11 -0.04 7.38 1.04 -0.76 -1.98 113.70 116.38 3l2h s SER 105 Ca 0.06 -0.54 0.06 0.00 0.48 0.00 0.00 55.95 56.01 3l2h s SER 105 Cb 0.02 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3l2h s SER 105 CO -0.09 -0.88 -0.21 -0.63 0.98 0.00 0.00 173.24 172.41 3l2h s ILE 106 N -3.87 1.73 -0.06 -1.02 1.01 -1.26 -1.00 121.20 116.73 3l2h s ILE 106 Ca 0.08 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3l2h s ILE 106 Cb 0.02 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3l2h s ILE 106 CO -0.07 0.49 -0.21 -0.55 0.00 0.00 0.00 174.94 174.59 3l2h s SER 107 N -0.25 2.67 -0.68 3.58 0.15 -0.27 -0.13 113.70 118.77 3l2h s SER 107 Ca 0.01 -0.45 -0.19 0.00 0.70 0.00 0.00 55.95 56.03 3l2h s SER 107 Cb -0.11 -0.79 0.11 0.00 -1.71 0.00 0.00 66.02 63.52 3l2h s SER 107 CO 0.01 0.20 0.81 0.21 1.20 0.00 0.00 173.24 175.67 3l2h s ASN 108 N -0.02 6.30 -0.20 5.45 3.84 -0.39 -0.44 114.94 129.48 3l2h s ASN 108 Ca -0.05 -1.58 0.16 0.00 0.21 0.00 0.00 52.86 51.59 3l2h s ASN 108 Cb -0.13 -2.33 0.65 0.00 -0.55 0.00 0.00 41.25 38.89 3l2h s ASN 108 CO 0.04 -1.11 1.56 0.47 -2.79 0.00 0.00 177.10 175.26 3l2h n ASP 109 N 6.36 4.63 -1.23 -4.21 8.00 -1.26 -0.06 116.55 128.78 3l2h n ASP 109 Ca -0.01 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.53 3l2h n ASP 109 Cb 0.44 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 -0.01 1.00 0.15 0.44 0.00 -1.26 -4.95 105.19 100.57 3l2h n GLY 110 Ca 0.24 -1.92 0.03 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.31 0.00 -4.37 2.61 -2.24 -1.26 -4.69 114.28 104.01 3l2h n THR 111 Ca 0.00 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 3l2h n THR 111 Cb 0.00 1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.13 2.01 0.38 -0.78 0.41 -1.26 -4.93 118.70 113.39 3l2h s GLU 112 Ca 0.06 -1.63 -0.28 0.00 -0.41 0.00 0.00 54.97 52.71 3l2h s GLU 112 Cb 0.06 -1.96 -0.11 0.00 -1.78 0.00 0.00 34.13 30.34 3l2h s GLU 112 CO 0.19 0.30 1.49 0.99 -0.49 0.00 0.00 175.26 177.74 3l2h s THR 113 N -2.44 2.05 -0.26 3.63 2.01 -1.26 -4.45 115.64 114.92 3l2h s THR 113 Ca 0.32 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.21 3l2h s THR 113 Cb -0.04 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3l2h s THR 113 CO 0.18 0.01 0.40 -0.22 -0.69 0.00 0.00 174.62 174.30 3l2h s LEU 114 N -2.07 4.06 -0.15 4.42 2.96 0.12 -3.98 118.68 124.04 3l2h s LEU 114 Ca 0.53 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.82 3l2h s LEU 114 Cb -0.47 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 43.76 3l2h s LEU 114 CO 0.63 -0.18 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.60 3l2h s VAL 115 N 1.98 1.92 0.07 1.68 1.01 0.00 -0.78 120.40 126.29 3l2h s VAL 115 Ca 0.17 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3l2h s VAL 115 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3l2h s VAL 115 CO 0.09 0.52 -0.06 0.00 0.00 0.00 0.00 175.10 175.65 3l2h s LEU 117 N -2.59 4.17 -0.18 0.00 1.43 0.14 -0.42 118.68 121.24 3l2h s LEU 117 Ca 0.04 0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 3l2h s LEU 117 Cb 0.01 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 3l2h s LEU 117 CO -0.04 -0.01 -0.04 -0.69 0.23 0.00 0.00 176.35 175.80 3l2h s VAL 118 N 1.04 3.72 -0.13 -1.59 1.01 0.10 -0.56 120.40 124.00 3l2h s VAL 118 Ca 0.17 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3l2h s VAL 118 Cb -0.14 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.61 3l2h s VAL 118 CO 0.06 0.47 -0.17 -0.63 0.00 0.00 0.00 175.10 174.83 3l2h s ILE 119 N 0.72 1.66 0.06 2.22 1.01 -0.29 -0.68 121.20 125.91 3l2h s ILE 119 Ca -0.02 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 3l2h s ILE 119 Cb -0.15 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.82 3l2h s ILE 119 CO 0.02 0.47 0.24 -0.83 0.00 0.00 0.00 174.94 174.84 3l2h s GLY 120 N 1.06 -0.02 0.54 6.18 0.00 -0.24 0.07 107.32 114.92 3l2h s GLY 120 Ca -0.04 -0.30 -0.17 0.00 0.00 0.00 0.00 44.72 44.21 3l2h s GLY 120 CO -0.04 -0.49 1.03 1.20 0.00 0.00 0.00 173.10 174.80 3l2h s GLN 121 N -3.10 3.63 -0.32 2.90 -0.21 -0.75 -0.40 119.66 121.41 3l2h s GLN 121 Ca -0.01 1.18 0.02 0.00 0.02 0.00 0.00 55.36 56.57 3l2h s GLN 121 Cb 0.01 -2.08 0.08 0.00 1.00 0.00 0.00 33.01 32.03 3l2h s GLN 121 CO -0.07 -0.55 0.01 1.03 -2.12 0.00 0.00 175.29 173.60 3l2h s ARG 122 N -3.82 1.88 0.12 2.91 0.52 0.11 -4.70 118.95 115.97 3l2h s ARG 122 Ca 0.63 -1.64 0.08 0.00 -0.52 0.00 0.00 55.73 54.28 3l2h s ARG 122 Cb -0.14 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 3l2h s ARG 122 CO 0.30 -0.81 -0.13 -0.51 0.02 0.00 0.00 175.30 174.17 3l2h s LEU 123 N 1.03 2.91 0.44 2.53 1.43 -1.26 -4.73 118.68 121.04 3l2h s LEU 123 Ca 0.03 -0.47 0.16 0.00 -1.03 0.00 0.00 54.13 52.82 3l2h s LEU 123 Cb -0.20 -1.71 1.01 0.00 0.03 0.00 0.00 46.19 45.32 3l2h s LEU 123 CO -0.06 0.17 1.98 0.44 0.23 0.00 0.00 176.35 179.11 3l2h h ASP 124 N 3.60 0.00 -4.13 2.29 3.32 -1.99 -3.43 116.42 116.07 3l2h h ASP 124 Ca -0.49 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 55.99 3l2h h ASP 124 Cb 1.17 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 3l2h h ASP 124 CO 0.50 0.20 -0.84 -1.10 -1.72 0.00 0.00 179.24 176.28 3l2h s GLN 125 N -4.52 1.65 0.22 3.56 -0.21 -1.26 -0.04 119.66 119.07 3l2h s GLN 125 Ca -0.04 -0.64 -0.19 0.00 0.02 0.00 0.00 55.36 54.52 3l2h s GLN 125 Cb 0.15 -1.51 0.03 0.00 1.00 0.00 0.00 33.01 32.68 3l2h s GLN 125 CO 0.69 0.32 0.58 0.34 -2.12 0.00 0.00 175.29 175.10 3l2h s ASP 126 N -0.20 -0.28 -0.05 5.90 2.15 -0.34 -4.79 116.67 119.06 3l2h s ASP 126 Ca 0.02 -0.50 0.02 0.00 0.43 0.00 0.00 52.55 52.52 3l2h s ASP 126 Cb -0.09 0.62 0.02 0.00 -0.30 0.00 0.00 42.92 43.17 3l2h s ASP 126 CO 0.01 -1.13 -0.07 -0.69 -0.17 0.00 0.00 175.17 173.12 3l2h s VAL 127 N -3.88 0.73 -0.06 1.11 1.01 -1.26 -0.85 120.40 117.19 3l2h s VAL 127 Ca 0.10 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3l2h s VAL 127 Cb -0.02 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.66 3l2h s VAL 127 CO -0.00 0.26 -0.12 -0.69 0.00 0.00 0.00 175.10 174.55 3l2h s VAL 128 N 0.74 1.10 -0.15 2.92 1.01 0.10 -0.85 120.40 125.27 3l2h s VAL 128 Ca -0.12 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 3l2h s VAL 128 Cb -0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3l2h s VAL 128 CO 0.01 0.34 0.13 -1.81 0.00 0.00 0.00 175.10 173.78 3l2h s ASP 129 N 0.62 6.30 -0.78 3.32 1.01 0.25 -0.13 116.67 127.26 3l2h s ASP 129 Ca -0.13 0.38 0.01 0.00 0.71 0.00 0.00 52.55 53.51 3l2h s ASP 129 Cb -0.15 -2.07 0.19 0.00 1.01 0.00 0.00 42.92 41.90 3l2h s ASP 129 CO 0.03 0.33 0.61 -0.31 0.21 0.00 0.00 175.17 176.04 3l2h s TYR 130 N -0.53 3.69 0.45 4.23 2.02 0.14 -1.43 117.35 125.90 3l2h s TYR 130 Ca 0.12 -3.13 0.11 0.00 -0.37 0.00 0.00 57.07 53.81 3l2h s TYR 130 Cb -0.12 -3.02 1.01 0.00 -0.40 0.00 0.00 41.96 39.44 3l2h s TYR 130 CO 0.02 -0.68 2.06 -1.35 -1.57 0.00 0.00 175.55 174.03 3l2h h PRO 131 N 5.90 0.36 0.00 -1.71 0.11 -1.79 -1.18 132.00 133.70 3l2h h PRO 131 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3l2h h PRO 131 Cb 0.81 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3l2h h PRO 131 CO 0.78 0.24 0.00 -0.91 -0.21 0.00 0.00 178.00 177.90 3l2h h ASN 132 N 0.38 0.00 -0.02 -2.05 2.35 -1.94 -2.39 115.58 111.90 3l2h h ASN 132 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3l2h h ASN 132 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3l2h h ASN 132 CO -0.03 0.00 -0.22 0.00 -1.65 0.00 0.00 177.43 175.53 3l2h n GLN 133 N -2.70 1.74 -3.61 0.81 1.13 -0.51 -4.99 117.38 109.25 3l2h n GLN 133 Ca 0.03 -1.42 -0.24 0.00 -1.94 0.00 0.00 57.00 53.43 3l2h n GLN 133 Cb 0.39 -1.43 0.08 0.00 0.11 0.00 0.00 30.24 29.38 3l2h n GLN 133 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3l2h n HIS 134 N 0.64 -2.84 -4.25 1.08 -0.00 -0.79 -5.00 115.22 104.06 3l2h n HIS 134 Ca 0.11 1.01 -0.19 0.00 0.46 0.00 0.00 57.72 59.11 3l2h n HIS 134 Cb 0.51 -4.99 -0.13 0.00 -0.12 0.00 0.00 29.99 25.26 3l2h n HIS 134 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3l2h s LYS 135 N -6.30 0.83 -0.08 1.57 1.02 -1.13 -4.44 119.74 111.21 3l2h s LYS 135 Ca 0.57 -0.81 0.04 0.00 0.02 0.00 0.00 55.97 55.80 3l2h s LYS 135 Cb -0.25 -0.82 -0.00 0.00 -0.52 0.00 0.00 37.83 36.24 3l2h s LYS 135 CO 0.74 0.19 -0.22 0.50 -0.92 0.00 0.00 175.35 175.64 3l2h s ARG 136 N -1.36 2.68 -0.20 1.68 3.52 -0.35 -0.69 118.95 124.23 3l2h s ARG 136 Ca -0.01 -0.80 -0.06 0.00 -0.13 0.00 0.00 55.73 54.72 3l2h s ARG 136 Cb -0.09 -2.10 -0.03 0.00 -1.56 0.00 0.00 34.95 31.17 3l2h s ARG 136 CO 0.01 0.21 0.04 -1.17 -0.81 0.00 0.00 175.30 173.58 3l2h s LEU 137 N 0.26 3.56 -0.25 -0.88 2.96 0.81 -1.10 118.68 124.03 3l2h s LEU 137 Ca -0.14 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3l2h s LEU 137 Cb -0.16 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3l2h s LEU 137 CO 0.07 0.11 0.05 -0.31 -1.32 0.00 0.00 176.35 174.94 3l2h s TYR 138 N 0.76 3.07 -0.18 5.38 2.02 0.00 -0.72 117.35 127.67 3l2h s TYR 138 Ca 0.02 -0.67 -0.01 0.00 -0.37 0.00 0.00 57.07 56.04 3l2h s TYR 138 Cb -0.14 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.21 3l2h s TYR 138 CO 0.02 -0.45 -0.13 0.50 -1.57 0.00 0.00 175.55 173.92 3l2h s ARG 139 N 1.56 3.21 -0.34 -0.62 3.52 -0.03 -0.75 118.95 125.50 3l2h s ARG 139 Ca 0.05 -0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 3l2h s ARG 139 Cb -0.15 -2.74 0.12 0.00 -1.56 0.00 0.00 34.95 30.61 3l2h s ARG 139 CO 0.02 -0.11 0.17 -0.80 -0.81 0.00 0.00 175.30 173.76 3l2h s ASN 140 N 1.16 3.47 -1.24 -2.12 0.01 -0.58 -1.20 114.94 114.45 3l2h s ASN 140 Ca 0.01 -1.93 -0.31 0.00 -0.71 0.00 0.00 52.86 49.93 3l2h s ASN 140 Cb -0.14 -0.61 0.04 0.00 0.41 0.00 0.00 41.25 40.95 3l2h s ASN 140 CO -0.05 -0.36 0.58 0.59 -1.51 0.00 0.00 177.10 176.35 3l2h n ASN 141 N 4.42 -3.35 0.00 -1.22 3.02 0.95 -1.33 115.26 117.75 3l2h n ASN 141 Ca 0.04 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 3l2h n ASN 141 Cb 0.39 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 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 -2.16 3.16 3.50 7.41 0.00 -1.26 -4.97 105.19 110.87 3l2h n GLY 142 Ca -0.14 0.00 -0.42 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 -0.64 3.23 -0.24 1.61 2.12 -0.44 -5.06 118.70 119.28 3l2h s GLU 143 Ca 0.00 -0.67 -0.09 0.00 0.36 0.00 0.00 54.97 54.57 3l2h s GLU 143 Cb 0.00 -3.92 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 3l2h s GLU 143 CO 0.00 -0.74 0.11 -1.58 -0.54 0.00 0.00 175.26 172.50 3l2h s TRP 144 N 2.07 3.18 -0.20 5.30 0.52 -1.26 -1.52 118.94 127.03 3l2h s TRP 144 Ca 0.11 -0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.15 3l2h s TRP 144 Cb -0.17 -2.24 0.04 0.00 -1.15 0.00 0.00 33.47 29.95 3l2h s TRP 144 CO 0.13 -0.14 -0.09 -0.80 0.02 0.00 0.00 176.95 176.07 3l2h s ASN 145 N 1.29 3.33 -0.18 2.95 0.02 0.07 -5.00 114.94 117.42 3l2h s ASN 145 Ca 0.06 -0.88 -0.06 0.00 -1.02 0.00 0.00 52.86 50.96 3l2h s ASN 145 Cb -0.15 -1.16 -0.03 0.00 0.02 0.00 0.00 41.25 39.93 3l2h s ASN 145 CO 0.05 -0.16 0.02 -0.22 0.02 0.00 0.00 177.10 176.80 3l2h s LEU 146 N 1.44 3.49 -0.04 0.60 2.96 -1.26 -0.82 118.68 125.06 3l2h s LEU 146 Ca -0.01 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3l2h s LEU 146 Cb -0.16 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.67 3l2h s LEU 146 CO -0.08 0.14 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.33 3l2h s VAL 147 N 0.57 0.68 0.00 1.68 1.01 -0.26 -4.99 120.40 119.09 3l2h s VAL 147 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3l2h s VAL 147 Cb -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3l2h s VAL 147 CO 0.02 0.24 0.00 -0.67 0.00 0.00 0.00 175.10 174.69 3l2h n ASP 148 N 3.75 0.00 0.00 3.32 2.03 -1.26 -1.21 116.55 123.18 3l2h n ASP 148 Ca -0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.08 3l2h n ASP 148 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 3l2h n ASP 148 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3l2h n ALA 150 N -3.00 0.00 0.27 -1.67 0.00 -1.26 -3.84 120.51 111.01 3l2h n ALA 150 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3l2h n ALA 150 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 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 2.94 -4.40 0.00 8.00 -1.26 -4.84 116.55 116.99 3l2h n ASP 151 Ca 0.00 -2.06 -0.37 0.00 0.71 0.00 0.00 54.79 53.07 3l2h n ASP 151 Cb 0.00 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 40.60 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 -1.39 4.14 -0.34 0.53 1.01 -1.25 -5.06 121.20 118.84 3l2h s ILE 152 Ca 0.35 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 3l2h s ILE 152 Cb 0.19 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 3l2h s ILE 152 CO 0.23 0.23 0.62 -0.13 0.00 0.00 0.00 174.94 175.89 3l2h s ARG 153 N 1.56 3.75 -0.52 2.79 3.00 -1.26 -5.01 118.95 123.26 3l2h s ARG 153 Ca 0.05 0.11 -0.21 0.00 0.00 0.00 0.00 55.73 55.68 3l2h s ARG 153 Cb -0.16 -3.78 0.05 0.00 0.00 0.00 0.00 34.95 31.06 3l2h s ARG 153 CO 0.03 -0.67 0.74 0.08 0.00 0.00 0.00 175.30 175.47 3l2h s VAL 154 N 2.65 4.70 -0.06 3.52 1.01 -1.26 -4.89 120.40 126.07 3l2h s VAL 154 Ca 0.24 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3l2h s VAL 154 Cb -0.15 -4.38 -0.25 0.00 0.00 0.00 0.00 36.38 31.61 3l2h s VAL 154 CO 0.14 -0.90 0.59 -0.07 0.00 0.00 0.00 175.10 174.85 3l2h h LEU 155 N 10.15 0.22 -7.69 3.92 3.38 -2.06 -3.47 115.31 119.75 3l2h h LEU 155 Ca -0.27 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.13 3l2h h LEU 155 Cb 1.09 -0.07 -0.19 0.00 0.09 0.00 0.00 40.66 41.57 3l2h h LEU 155 CO 1.00 1.39 -0.41 -0.13 0.09 0.00 0.00 178.44 180.39 3l2h s ARG 156 N -2.59 0.60 0.02 1.13 3.00 -1.26 -5.17 118.95 114.68 3l2h s ARG 156 Ca -0.12 -0.43 0.01 0.00 0.00 0.00 0.00 55.73 55.19 3l2h s ARG 156 Cb 0.07 0.25 -0.02 0.00 0.00 0.00 0.00 34.95 35.26 3l2h s ARG 156 CO 0.81 -0.16 -0.04 -1.21 0.00 0.00 0.00 175.30 174.70 3l2h s GLU 157 N -1.76 0.34 0.00 3.54 2.02 -1.26 -5.23 118.70 116.36 3l2h s GLU 157 Ca -0.11 -0.53 0.09 0.00 0.02 0.00 0.00 54.97 54.43 3l2h s GLU 157 Cb -0.05 -0.07 0.51 0.00 0.10 0.00 0.00 34.13 34.62 3l2h s GLU 157 CO 0.00 0.00 0.97 -0.35 0.02 0.00 0.00 175.26 175.90