#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2l s GLU 4 N 0.00 1.21 0.11 -0.72 2.12 -1.26 -5.04 118.70 115.12 1a2l s GLU 4 Ca 0.00 -1.30 -0.31 0.00 0.36 0.00 0.00 54.97 53.72 1a2l s GLU 4 Cb 0.00 -1.36 -0.09 0.00 0.26 0.00 0.00 34.13 32.93 1a2l s GLU 4 CO 0.00 0.29 1.72 0.34 -0.54 0.00 0.00 175.26 177.08 1a2l s ASP 5 N -2.34 6.52 0.00 -1.70 2.15 -1.26 -1.49 116.67 118.55 1a2l s ASP 5 Ca 0.12 2.63 0.00 0.00 0.43 0.00 0.00 52.55 55.73 1a2l s ASP 5 Cb -0.08 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1a2l s ASP 5 CO 0.06 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.73 1a2l n GLY 6 N 4.07 2.02 0.00 2.66 0.00 0.20 -4.94 105.19 109.21 1a2l n GLY 6 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1a2l n GLY 6 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a2l n LYS 7 N -2.00 0.00 0.06 1.61 -0.00 -0.55 -4.77 118.16 112.50 1a2l n LYS 7 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 1a2l n LYS 7 Cb 0.00 -0.19 0.07 0.00 -0.00 0.00 0.00 35.03 34.91 1a2l n LYS 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1a2l n GLN 8 N -1.05 0.37 -3.93 -1.58 3.00 -1.22 -3.74 117.38 109.22 1a2l n GLN 8 Ca 0.00 0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.95 1a2l n GLN 8 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 30.24 28.54 1a2l n GLN 8 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1a2l s TYR 9 N -3.23 0.32 -0.01 1.08 1.13 -1.26 -0.26 117.35 115.13 1a2l s TYR 9 Ca 0.04 -0.77 -0.03 0.00 -1.41 0.00 0.00 57.07 54.90 1a2l s TYR 9 Cb 0.13 0.43 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 1a2l s TYR 9 CO 0.77 -1.24 0.07 0.95 -2.51 0.00 0.00 175.55 173.58 1a2l s THR 10 N -3.31 0.04 -0.06 -3.49 -4.23 0.78 0.58 115.64 105.95 1a2l s THR 10 Ca 0.20 -0.34 -0.16 0.00 -1.18 0.00 0.00 61.69 60.20 1a2l s THR 10 Cb -0.03 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.55 1a2l s THR 10 CO 0.12 -0.19 0.43 -0.89 -0.54 0.00 0.00 174.62 173.55 1a2l s THR 11 N -0.58 5.11 0.48 3.99 2.01 -1.26 0.09 115.64 125.48 1a2l s THR 11 Ca -0.07 0.88 -0.21 0.00 0.31 0.00 0.00 61.69 62.61 1a2l s THR 11 Cb -0.04 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.63 1a2l s THR 11 CO 0.00 0.45 1.08 -0.76 -0.69 0.00 0.00 174.62 174.70 1a2l s LEU 12 N -0.19 3.89 0.31 4.42 1.43 -0.43 -4.96 118.68 123.15 1a2l s LEU 12 Ca 0.24 2.07 0.06 0.00 -1.03 0.00 0.00 54.13 55.47 1a2l s LEU 12 Cb -0.16 -4.46 0.50 0.00 0.03 0.00 0.00 46.19 42.09 1a2l s LEU 12 CO 0.11 -0.88 1.74 1.05 0.23 0.00 0.00 176.35 178.61 1a2l h GLU 13 N 1.67 0.29 -3.20 1.70 -0.00 -1.97 -3.38 114.58 109.70 1a2l h GLU 13 Ca -0.49 -0.12 -0.59 0.00 -0.00 0.00 0.00 59.36 58.15 1a2l h GLU 13 Cb 1.23 -0.01 -0.40 0.00 -0.00 0.00 0.00 28.75 29.57 1a2l h GLU 13 CO 0.59 0.60 -0.76 -1.59 -0.00 0.00 0.00 179.01 177.85 1a2l s LYS 14 N -4.31 0.91 0.18 1.06 0.00 -1.26 -5.12 119.74 111.20 1a2l s LYS 14 Ca -0.05 -1.46 -0.32 0.00 0.00 0.00 0.00 55.97 54.13 1a2l s LYS 14 Cb 0.14 -2.02 -0.12 0.00 0.00 0.00 0.00 37.83 35.82 1a2l s LYS 14 CO 0.77 -1.08 1.72 -2.30 0.00 0.00 0.00 175.35 174.45 1a2l n PRO 15 N 4.24 2.65 -2.91 1.78 -0.02 -1.26 -4.99 135.00 134.49 1a2l n PRO 15 Ca 0.04 0.96 -0.35 0.00 -2.02 0.00 0.00 63.50 62.13 1a2l n PRO 15 Cb 0.38 -2.80 -0.06 0.00 -0.02 0.00 0.00 33.50 31.00 1a2l n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a2l s VAL 16 N 1.41 4.40 0.06 -1.45 1.01 0.05 -5.02 120.40 120.86 1a2l s VAL 16 Ca 0.77 1.50 0.03 0.00 0.00 0.00 0.00 61.98 64.28 1a2l s VAL 16 Cb -0.54 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1a2l s VAL 16 CO 0.34 0.00 0.03 0.00 0.00 0.00 0.00 175.10 175.47 1a2l s ALA 17 N -1.78 3.39 0.00 5.51 0.00 -1.26 -4.53 121.76 123.09 1a2l s ALA 17 Ca 0.52 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1a2l s ALA 17 Cb -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1a2l s ALA 17 CO 0.20 0.70 0.00 0.41 0.00 0.00 0.00 175.76 177.07 1a2l n GLY 18 N 0.74 2.13 3.67 0.00 0.00 -1.26 -4.98 105.19 105.49 1a2l n GLY 18 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1a2l n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2l n ALA 19 N 0.29 0.71 -0.88 4.61 0.00 -1.26 -4.95 120.51 119.03 1a2l n ALA 19 Ca 0.00 0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 1a2l n ALA 19 Cb 0.00 -2.21 0.14 0.00 0.00 0.00 0.00 19.45 17.38 1a2l n ALA 19 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1a2l n PRO 20 N -1.07 -0.16 0.20 0.00 -0.02 -1.26 -4.67 135.00 128.02 1a2l n PRO 20 Ca 0.13 0.02 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 1a2l n PRO 20 Cb 0.46 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 1a2l n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1a2l h GLN 21 N -1.40 -0.66 -4.03 -0.52 4.20 -1.92 -3.35 115.11 107.43 1a2l h GLN 21 Ca -0.44 0.04 -0.62 0.00 0.06 0.00 0.00 58.65 57.69 1a2l h GLN 21 Cb 1.29 0.15 -0.40 0.00 0.30 0.00 0.00 27.48 28.82 1a2l h GLN 21 CO 0.42 -0.44 -0.74 0.08 -0.67 0.00 0.00 178.83 177.48 1a2l s VAL 22 N -6.00 1.57 -0.18 -0.54 1.01 -1.21 -0.41 120.40 114.64 1a2l s VAL 22 Ca -0.17 -1.93 -0.14 0.00 0.00 0.00 0.00 61.98 59.75 1a2l s VAL 22 Cb 0.06 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1a2l s VAL 22 CO 0.63 -0.66 0.31 -0.22 0.00 0.00 0.00 175.10 175.17 1a2l s LEU 23 N 1.19 4.20 -0.12 3.92 0.20 0.08 -0.38 118.68 127.77 1a2l s LEU 23 Ca 0.11 0.46 0.03 0.00 0.69 0.00 0.00 54.13 55.42 1a2l s LEU 23 Cb -0.19 -2.39 0.01 0.00 -0.43 0.00 0.00 46.19 43.19 1a2l s LEU 23 CO -0.16 0.03 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.04 1a2l s GLU 24 N 0.83 2.71 -0.15 1.98 2.12 0.11 -0.76 118.70 125.54 1a2l s GLU 24 Ca 0.16 -0.75 -0.04 0.00 0.36 0.00 0.00 54.97 54.70 1a2l s GLU 24 Cb -0.14 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.04 1a2l s GLU 24 CO 0.05 0.02 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.72 1a2l s PHE 25 N 0.75 3.09 0.22 5.30 0.08 -0.31 0.07 117.98 127.18 1a2l s PHE 25 Ca -0.10 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 56.83 1a2l s PHE 25 Cb -0.16 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 1a2l s PHE 25 CO 0.01 0.07 0.22 1.97 -0.10 0.00 0.00 175.22 177.39 1a2l n PHE 26 N 3.37 -0.68 -3.65 0.36 -1.74 -0.03 -2.66 117.46 112.42 1a2l n PHE 26 Ca -0.17 -1.79 -0.09 0.00 -0.56 0.00 0.00 57.45 54.84 1a2l n PHE 26 Cb 0.52 0.24 -0.08 0.00 1.52 0.00 0.00 39.48 41.69 1a2l n PHE 26 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1a2l s SER 27 N -2.52 -0.81 0.00 5.98 0.15 -1.26 -0.58 113.70 114.65 1a2l s SER 27 Ca 0.25 1.35 0.14 0.00 0.70 0.00 0.00 55.95 58.39 1a2l s SER 27 Cb 0.01 1.24 0.71 0.00 -1.71 0.00 0.00 66.02 66.27 1a2l s SER 27 CO 0.17 -0.23 1.41 0.49 1.20 0.00 0.00 173.24 176.28 1a2l n PHE 28 N 4.04 0.00 -0.41 3.44 3.72 -1.26 -2.20 117.46 124.79 1a2l n PHE 28 Ca -0.20 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1a2l n PHE 28 Cb 0.58 -0.33 0.33 0.00 -0.94 0.00 0.00 39.48 39.13 1a2l n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a2l n PHE 29 N -1.33 1.24 -4.58 1.38 3.72 -1.26 -4.60 117.46 112.03 1a2l n PHE 29 Ca 0.06 -0.54 -0.32 0.00 -0.05 0.00 0.00 57.45 56.61 1a2l n PHE 29 Cb 0.12 -0.14 -0.17 0.00 -0.94 0.00 0.00 39.48 38.36 1a2l n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a2l h PRO 31 N 7.39 1.17 -0.23 0.00 0.11 -1.91 -1.36 132.00 137.18 1a2l h PRO 31 Ca -0.33 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1a2l h PRO 31 Cb 1.18 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1a2l h PRO 31 CO 0.54 0.85 -0.09 0.45 -0.21 0.00 0.00 178.00 179.53 1a2l h HIS 32 N 1.18 0.38 0.00 0.65 3.86 -1.95 -1.11 115.15 118.16 1a2l h HIS 32 Ca 0.30 -0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.33 1a2l h HIS 32 Cb -0.00 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1a2l h HIS 32 CO 0.00 0.46 -0.65 0.00 0.86 0.00 0.00 177.93 178.60 1a2l h TYR 34 N 0.00 -0.09 -0.66 0.00 5.03 -0.39 -2.64 116.97 118.22 1a2l h TYR 34 Ca -0.01 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.35 1a2l h TYR 34 Cb 1.24 0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.50 1a2l h TYR 34 CO 0.00 0.29 0.38 0.37 -1.32 0.00 0.00 178.16 177.88 1a2l h GLN 35 N -0.49 0.69 -0.73 1.82 4.15 -1.23 0.28 115.11 119.59 1a2l h GLN 35 Ca -0.01 -0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.50 1a2l h GLN 35 Cb 0.42 -0.16 -0.09 0.00 0.21 0.00 0.00 27.48 27.87 1a2l h GLN 35 CO 0.02 0.46 0.31 0.35 -1.93 0.00 0.00 178.83 178.03 1a2l h PHE 36 N 0.71 0.53 0.00 3.99 3.57 -1.29 0.67 116.94 125.12 1a2l h PHE 36 Ca 0.29 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1a2l h PHE 36 Cb 0.14 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1a2l h PHE 36 CO -0.07 0.10 -0.41 0.39 -2.23 0.00 0.00 178.31 176.09 1a2l n GLU 37 N -4.97 0.30 0.20 1.11 -0.58 -0.86 -1.00 120.64 114.83 1a2l n GLU 37 Ca 0.13 0.34 0.07 0.00 -0.42 0.00 0.00 57.16 57.28 1a2l n GLU 37 Cb 0.38 -1.26 0.41 0.00 -0.57 0.00 0.00 31.44 30.40 1a2l n GLU 37 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1a2l h GLU 38 N -0.63 0.00 0.00 3.49 4.39 -0.60 -2.68 114.58 118.56 1a2l h GLU 38 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a2l h GLU 38 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1a2l h GLU 38 CO 0.00 0.31 -0.10 0.28 -1.16 0.00 0.00 179.01 178.34 1a2l n VAL 39 N -3.57 0.15 0.24 3.13 0.31 -0.64 -4.70 118.33 113.25 1a2l n VAL 39 Ca -0.01 0.44 0.12 0.00 -0.01 0.00 0.00 64.34 64.89 1a2l n VAL 39 Cb 0.45 -1.56 0.46 0.00 -0.91 0.00 0.00 33.84 32.28 1a2l n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1a2l h LEU 40 N -0.10 0.00 -1.05 7.52 4.07 0.15 -3.47 115.31 122.42 1a2l h LEU 40 Ca 0.00 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.47 1a2l h LEU 40 Cb 0.10 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.78 1a2l h LEU 40 CO 0.00 0.13 -0.77 1.41 -1.08 0.00 0.00 178.44 178.13 1a2l n HIS 41 N -3.23 -2.20 0.04 1.13 8.25 -0.82 -4.90 115.22 113.49 1a2l n HIS 41 Ca 0.01 0.89 -0.16 0.00 -0.26 0.00 0.00 57.72 58.20 1a2l n HIS 41 Cb 0.42 -3.85 -0.10 0.00 1.12 0.00 0.00 29.99 27.59 1a2l n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1a2l h ILE 42 N -1.99 0.00 -0.94 1.59 1.08 -1.31 -2.94 117.51 112.99 1a2l h ILE 42 Ca -0.58 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 63.97 1a2l h ILE 42 Cb 1.38 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.01 1a2l h ILE 42 CO 0.68 0.00 -0.55 -1.20 -0.69 0.00 0.00 178.15 176.40 1a2l n SER 43 N -5.44 -0.98 -0.18 1.72 7.64 -1.26 -0.50 113.62 114.63 1a2l n SER 43 Ca -0.07 1.68 -0.03 0.00 1.01 0.00 0.00 58.87 61.46 1a2l n SER 43 Cb 0.39 -0.23 0.07 0.00 -1.01 0.00 0.00 64.21 63.43 1a2l n SER 43 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1a2l h ASP 44 N 0.00 0.32 -0.55 6.43 3.32 -1.93 0.13 116.42 124.14 1a2l h ASP 44 Ca 0.16 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1a2l h ASP 44 Cb 0.40 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1a2l h ASP 44 CO -0.89 0.21 0.07 0.78 -1.72 0.00 0.00 179.24 177.69 1a2l h ASN 45 N 0.47 0.92 -0.26 6.45 2.35 -0.99 0.21 115.58 124.73 1a2l h ASN 45 Ca 0.25 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 1a2l h ASN 45 Cb 0.22 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1a2l h ASN 45 CO -0.21 0.94 -0.33 0.58 -1.65 0.00 0.00 177.43 176.76 1a2l h VAL 46 N 0.90 1.28 -0.04 2.81 2.07 -0.17 -2.75 116.25 120.35 1a2l h VAL 46 Ca 0.18 -1.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.09 1a2l h VAL 46 Cb 0.43 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1a2l h VAL 46 CO 0.01 0.49 -0.54 0.11 0.02 0.00 0.00 177.57 177.67 1a2l h LYS 47 N 0.66 0.12 -0.16 1.57 6.56 -0.36 -2.74 116.57 122.21 1a2l h LYS 47 Ca 0.07 -0.07 -0.09 0.00 -1.06 0.00 0.00 60.65 59.49 1a2l h LYS 47 Cb 0.88 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.53 1a2l h LYS 47 CO 0.08 0.63 -0.31 1.57 -2.06 0.00 0.00 179.45 179.35 1a2l h LYS 48 N 0.09 0.32 -0.19 3.15 2.10 -0.36 -3.01 116.57 118.68 1a2l h LYS 48 Ca -0.00 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1a2l h LYS 48 Cb 0.98 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1a2l h LYS 48 CO 0.08 0.61 0.00 1.63 -2.00 0.00 0.00 179.45 179.76 1a2l n LYS 49 N -4.10 2.15 -2.56 0.07 5.02 -1.06 -4.96 118.16 112.73 1a2l n LYS 49 Ca -0.01 -1.71 -0.41 0.00 -2.02 0.00 0.00 58.31 54.17 1a2l n LYS 49 Cb 0.42 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1a2l n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a2l s LEU 50 N -1.72 4.55 0.96 -0.35 1.43 -1.05 -4.77 118.68 117.73 1a2l s LEU 50 Ca 0.34 2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 55.46 1a2l s LEU 50 Cb 0.20 -3.61 0.17 0.00 0.03 0.00 0.00 46.19 42.98 1a2l s LEU 50 CO 0.30 -0.10 1.13 -2.84 0.23 0.00 0.00 176.35 175.06 1a2l s PRO 51 N -0.94 0.66 0.03 1.29 0.02 -1.26 -4.91 135.00 129.89 1a2l s PRO 51 Ca 0.46 1.43 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 1a2l s PRO 51 Cb -0.29 -1.69 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 1a2l s PRO 51 CO 0.36 -2.84 1.71 -1.83 -0.33 0.00 0.00 177.00 174.08 1a2l s GLU 52 N -4.61 4.18 0.00 5.54 1.03 -1.26 -2.54 118.70 121.04 1a2l s GLU 52 Ca 0.67 2.35 0.00 0.00 0.03 0.00 0.00 54.97 58.02 1a2l s GLU 52 Cb -0.23 -3.79 0.00 0.00 -0.80 0.00 0.00 34.13 29.30 1a2l s GLU 52 CO 0.59 -0.80 0.00 0.41 -1.33 0.00 0.00 175.26 174.13 1a2l n GLY 53 N 4.13 0.83 2.97 -3.83 0.00 -1.26 -5.06 105.19 102.98 1a2l n GLY 53 Ca 0.17 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 1a2l n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2l s VAL 54 N -2.00 1.99 0.31 1.61 1.01 -1.05 -5.12 120.40 117.15 1a2l s VAL 54 Ca 0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 61.98 59.87 1a2l s VAL 54 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1a2l s VAL 54 CO 0.00 -0.52 0.59 -1.59 0.00 0.00 0.00 175.10 173.58 1a2l s LYS 55 N 1.07 3.67 0.04 2.72 0.00 -1.26 -4.80 119.74 121.17 1a2l s LYS 55 Ca 0.08 0.10 0.07 0.00 0.00 0.00 0.00 55.97 56.22 1a2l s LYS 55 Cb -0.19 -2.60 -0.03 0.00 0.00 0.00 0.00 37.83 35.01 1a2l s LYS 55 CO -0.10 0.17 -0.18 1.41 0.00 0.00 0.00 175.35 176.65 1a2l s MET 56 N -3.57 2.07 -0.04 1.78 1.75 -1.26 -3.30 119.30 116.73 1a2l s MET 56 Ca 0.45 -0.98 0.06 0.00 -1.25 0.00 0.00 55.69 53.97 1a2l s MET 56 Cb -0.11 -2.19 -0.01 0.00 2.84 0.00 0.00 34.83 35.37 1a2l s MET 56 CO 0.30 0.54 -0.23 0.99 -0.65 0.00 0.00 175.02 175.97 1a2l s THR 57 N -0.92 1.85 -0.28 10.11 2.01 0.49 -4.98 115.64 123.91 1a2l s THR 57 Ca 0.15 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1a2l s THR 57 Cb -0.10 -1.56 0.06 0.00 0.01 0.00 0.00 72.50 70.91 1a2l s THR 57 CO 0.05 0.52 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.91 1a2l s LYS 58 N -0.29 2.22 0.11 4.92 1.02 -1.26 0.06 119.74 126.51 1a2l s LYS 58 Ca 0.02 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.64 1a2l s LYS 58 Cb -0.11 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1a2l s LYS 58 CO 0.01 -0.64 0.19 0.71 -0.92 0.00 0.00 175.35 174.71 1a2l s TYR 59 N 1.13 3.37 0.05 3.18 2.02 0.11 -4.99 117.35 122.22 1a2l s TYR 59 Ca -0.05 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 1a2l s TYR 59 Cb -0.20 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1a2l s TYR 59 CO -0.04 0.54 0.12 -1.58 -1.57 0.00 0.00 175.55 173.02 1a2l s HIS 60 N -1.59 3.31 -0.07 2.71 2.46 -1.26 -0.85 115.29 120.00 1a2l s HIS 60 Ca 0.33 0.17 -0.02 0.00 0.47 0.00 0.00 55.06 56.00 1a2l s HIS 60 Cb -0.12 -1.69 -0.04 0.00 -0.13 0.00 0.00 32.58 30.60 1a2l s HIS 60 CO 0.26 0.55 0.04 0.14 -2.47 0.00 0.00 174.74 173.26 1a2l s VAL 61 N -1.37 4.55 -1.68 0.89 -7.23 0.25 -4.85 120.40 110.96 1a2l s VAL 61 Ca 0.29 -0.24 0.24 0.00 -1.81 0.00 0.00 61.98 60.46 1a2l s VAL 61 Cb -0.12 -2.96 0.08 0.00 0.56 0.00 0.00 36.38 33.93 1a2l s VAL 61 CO 0.21 0.54 1.29 -0.46 -0.31 0.00 0.00 175.10 176.38 1a2l n ASN 62 N 1.89 1.33 -0.64 4.85 2.04 -1.26 -4.42 115.26 119.04 1a2l n ASN 62 Ca -0.18 -1.06 0.00 0.00 -0.44 0.00 0.00 54.58 52.90 1a2l n ASN 62 Cb 0.54 0.38 0.02 0.00 -2.53 0.00 0.00 39.78 38.18 1a2l n ASN 62 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1a2l n PHE 63 N -0.62 0.11 -3.81 -2.53 1.16 -1.26 -4.48 117.46 106.03 1a2l n PHE 63 Ca 0.09 -0.12 -0.13 0.00 -1.87 0.00 0.00 57.45 55.43 1a2l n PHE 63 Cb 0.39 -0.15 -0.14 0.00 -1.61 0.00 0.00 39.48 37.97 1a2l n PHE 63 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1a2l s MET 64 N -0.94 0.08 0.00 3.97 -1.94 -1.26 -4.83 119.30 114.38 1a2l s MET 64 Ca 0.03 0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.20 1a2l s MET 64 Cb 0.02 -0.05 0.00 0.00 2.01 0.00 0.00 34.83 36.82 1a2l s MET 64 CO 0.01 -0.07 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 1a2l n GLY 65 N 3.47 1.08 7.00 -0.03 0.00 -1.26 -3.92 105.19 111.53 1a2l n GLY 65 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1a2l n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2l n GLY 66 N -2.00 2.56 0.36 -0.02 0.00 -1.26 -3.06 105.19 101.77 1a2l n GLY 66 Ca 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1a2l n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a2l h ASP 67 N 6.09 0.77 0.23 1.61 5.19 -1.93 0.84 116.42 129.22 1a2l h ASP 67 Ca 0.00 0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 56.38 1a2l h ASP 67 Cb 0.00 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1a2l h ASP 67 CO 0.00 0.30 -0.43 0.25 -3.12 0.00 0.00 179.24 176.24 1a2l h LEU 68 N 0.76 0.27 -1.26 1.55 6.46 -1.90 -2.92 115.31 118.27 1a2l h LEU 68 Ca 0.55 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 58.15 1a2l h LEU 68 Cb 0.86 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 1a2l h LEU 68 CO -0.33 0.67 -0.01 1.23 -0.62 0.00 0.00 178.44 179.38 1a2l h GLY 69 N 1.24 0.53 0.96 3.75 0.00 -0.84 -1.70 103.07 107.01 1a2l h GLY 69 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1a2l h GLY 69 CO 0.07 0.29 -0.18 0.50 0.00 0.00 0.00 176.54 177.22 1a2l h LYS 70 N 0.48 0.71 -0.52 4.80 6.56 -1.30 -2.68 116.57 124.62 1a2l h LYS 70 Ca 0.10 -0.32 -0.07 0.00 -1.06 0.00 0.00 60.65 59.31 1a2l h LYS 70 Cb 0.32 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.94 1a2l h LYS 70 CO 0.01 0.92 0.05 -0.44 -2.06 0.00 0.00 179.45 177.93 1a2l h ASP 71 N 0.48 0.79 -0.62 0.86 3.32 -1.39 -2.28 116.42 117.59 1a2l h ASP 71 Ca 0.07 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1a2l h ASP 71 Cb 0.72 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1a2l h ASP 71 CO 0.05 0.83 0.16 -0.07 -1.72 0.00 0.00 179.24 178.48 1a2l h LEU 72 N 0.79 0.94 -1.08 1.55 3.38 -1.26 0.43 115.31 120.04 1a2l h LEU 72 Ca 0.16 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1a2l h LEU 72 Cb 0.40 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1a2l h LEU 72 CO 0.01 0.92 0.61 0.74 0.09 0.00 0.00 178.44 180.81 1a2l h THR 73 N 0.91 1.24 -0.08 0.22 2.02 -1.17 0.86 112.91 116.90 1a2l h THR 73 Ca 0.19 -0.44 -0.20 0.00 0.77 0.00 0.00 66.41 66.73 1a2l h THR 73 Cb 0.35 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1a2l h THR 73 CO 0.00 0.23 -0.79 -0.61 0.37 0.00 0.00 175.52 174.72 1a2l h GLN 74 N 1.25 0.50 -0.37 6.66 4.15 -0.91 -0.95 115.11 125.44 1a2l h GLN 74 Ca 0.34 -0.43 -0.10 0.00 0.77 0.00 0.00 58.65 59.22 1a2l h GLN 74 Cb -0.14 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1a2l h GLN 74 CO -0.07 1.07 -0.19 0.00 -1.93 0.00 0.00 178.83 177.71 1a2l h ALA 75 N 0.80 0.98 -0.29 3.38 0.00 0.90 -0.13 119.26 124.90 1a2l h ALA 75 Ca -0.05 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1a2l h ALA 75 Cb 1.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1a2l h ALA 75 CO 0.14 0.60 -0.11 2.35 0.00 0.00 0.00 179.25 182.23 1a2l h TRP 76 N 0.62 0.68 -0.87 0.00 2.91 0.79 -1.76 115.95 118.31 1a2l h TRP 76 Ca 0.10 -0.16 0.09 0.00 1.13 0.00 0.00 58.89 60.05 1a2l h TRP 76 Cb 0.66 -0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 29.09 1a2l h TRP 76 CO 0.03 0.81 0.57 0.00 -1.03 0.00 0.00 178.44 178.82 1a2l h ALA 77 N 0.76 1.65 -0.28 2.65 0.00 -0.75 -0.28 119.26 123.00 1a2l h ALA 77 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1a2l h ALA 77 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a2l h ALA 77 CO 0.04 0.18 0.09 0.28 0.00 0.00 0.00 179.25 179.83 1a2l h VAL 78 N 0.87 1.20 -0.98 0.00 2.07 -0.63 -2.32 116.25 116.45 1a2l h VAL 78 Ca 0.40 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1a2l h VAL 78 Cb 0.39 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1a2l h VAL 78 CO -0.17 0.21 0.64 0.00 0.02 0.00 0.00 177.57 178.28 1a2l h ALA 79 N 0.92 1.31 -0.13 1.67 0.00 -0.22 -0.93 119.26 121.88 1a2l h ALA 79 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1a2l h ALA 79 Cb 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a2l h ALA 79 CO -0.00 0.52 -0.36 0.52 0.00 0.00 0.00 179.25 179.92 1a2l h MET 80 N 1.23 0.27 -0.21 0.00 2.86 -1.00 0.68 114.93 118.78 1a2l h MET 80 Ca 0.40 -0.12 -0.20 0.00 -2.06 0.00 0.00 59.70 57.72 1a2l h MET 80 Cb 0.02 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.68 1a2l h MET 80 CO -0.13 0.61 -0.64 0.00 1.06 0.00 0.00 176.91 177.80 1a2l h ALA 81 N 1.39 0.36 -0.00 6.32 0.00 -0.85 -2.97 119.26 123.50 1a2l h ALA 81 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a2l h ALA 81 Cb 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1a2l h ALA 81 CO 0.06 0.64 -0.15 1.28 0.00 0.00 0.00 179.25 181.08 1a2l n LEU 82 N -4.01 0.55 -3.19 0.00 4.77 -0.41 -4.94 117.00 109.78 1a2l n LEU 82 Ca -0.06 -0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.68 1a2l n LEU 82 Cb 0.68 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1a2l n LEU 82 CO 0.51 0.11 0.18 0.61 -1.33 0.00 0.00 177.39 177.46 1a2l n GLY 83 N 1.31 -0.40 1.99 -0.72 0.00 0.19 -4.94 105.19 102.62 1a2l n GLY 83 Ca 0.13 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 1a2l n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a2l n VAL 84 N -4.70 2.66 0.46 1.61 0.24 0.13 -4.84 118.33 113.89 1a2l n VAL 84 Ca -0.01 -4.00 -0.20 0.00 -2.04 0.00 0.00 64.34 58.09 1a2l n VAL 84 Cb 0.57 -1.09 -0.10 0.00 -1.47 0.00 0.00 33.84 31.75 1a2l n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1a2l h GLU 85 N 2.09 -1.13 -0.02 7.34 3.07 -1.93 -2.93 114.58 121.08 1a2l h GLU 85 Ca 0.38 0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1a2l h GLU 85 Cb 1.43 0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 29.60 1a2l h GLU 85 CO 0.83 -0.75 0.04 -0.44 -1.40 0.00 0.00 179.01 177.28 1a2l h ASP 86 N -1.17 0.00 1.36 1.42 3.32 -1.96 -0.43 116.42 118.96 1a2l h ASP 86 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1a2l h ASP 86 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1a2l h ASP 86 CO 0.18 0.00 -0.39 0.11 -1.72 0.00 0.00 179.24 177.42 1a2l h LYS 87 N 0.00 0.00 0.00 3.56 1.57 -1.89 -3.38 116.57 116.42 1a2l h LYS 87 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1a2l h LYS 87 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1a2l h LYS 87 CO -0.00 0.00 -0.35 1.33 -0.57 0.00 0.00 179.45 179.86 1a2l n VAL 88 N -2.55 0.00 0.07 0.50 0.24 -0.77 -4.74 118.33 111.08 1a2l n VAL 88 Ca 0.03 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 1a2l n VAL 88 Cb 0.49 0.76 -0.05 0.00 -1.47 0.00 0.00 33.84 33.57 1a2l n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1a2l h THR 89 N 0.00 0.52 0.67 3.34 2.02 -1.29 -1.35 112.91 116.83 1a2l h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1a2l h THR 89 Cb 0.00 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1a2l h THR 89 CO 0.00 0.00 -0.50 0.58 0.37 0.00 0.00 175.52 175.97 1a2l h VAL 90 N -0.35 0.00 0.00 3.16 2.07 -1.84 -2.18 116.25 117.11 1a2l h VAL 90 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1a2l h VAL 90 Cb 0.41 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1a2l h VAL 90 CO -0.16 0.00 -0.12 1.55 0.02 0.00 0.00 177.57 178.86 1a2l h PRO 91 N -1.13 0.00 -0.11 1.57 0.13 -1.84 -1.44 132.00 129.18 1a2l h PRO 91 Ca -0.09 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.87 1a2l h PRO 91 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1a2l h PRO 91 CO 0.03 0.12 -0.67 -0.07 -0.23 0.00 0.00 178.00 177.17 1a2l h LEU 92 N 0.00 0.51 -0.10 1.56 3.38 -1.07 0.79 115.31 120.37 1a2l h LEU 92 Ca -0.00 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1a2l h LEU 92 Cb 0.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1a2l h LEU 92 CO 0.02 1.04 -0.14 -0.26 0.09 0.00 0.00 178.44 179.18 1a2l h PHE 93 N 0.31 0.34 -0.70 1.13 0.04 -0.95 -2.85 116.94 114.26 1a2l h PHE 93 Ca -0.02 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 1a2l h PHE 93 Cb 1.24 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 39.29 1a2l h PHE 93 CO 0.04 0.73 0.26 0.93 -0.60 0.00 0.00 178.31 179.67 1a2l h GLU 94 N -0.14 1.06 -0.54 1.51 4.39 -1.22 -2.29 114.58 117.34 1a2l h GLU 94 Ca 0.01 -0.20 0.12 0.00 0.34 0.00 0.00 59.36 59.62 1a2l h GLU 94 Cb 0.69 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1a2l h GLU 94 CO 0.03 0.89 0.37 0.78 -1.16 0.00 0.00 179.01 179.92 1a2l h GLY 95 N 1.01 0.34 0.00 -3.84 0.00 0.65 -1.17 103.07 100.05 1a2l h GLY 95 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1a2l h GLY 95 CO -0.02 0.05 0.00 -0.62 0.00 0.00 0.00 176.54 175.96 1a2l n VAL 96 N -4.44 0.00 -0.07 4.60 0.31 -0.94 -0.51 118.33 117.28 1a2l n VAL 96 Ca 0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.37 1a2l n VAL 96 Cb 0.45 -0.29 -0.04 0.00 -0.91 0.00 0.00 33.84 33.05 1a2l n VAL 96 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1a2l h GLN 97 N 0.00 -0.12 0.00 5.55 4.20 -1.57 0.48 115.11 123.65 1a2l h GLN 97 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1a2l h GLN 97 Cb 0.00 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1a2l h GLN 97 CO 0.00 -0.08 0.00 1.63 -0.67 0.00 0.00 178.83 179.71 1a2l n LYS 98 N -3.72 0.00 0.06 1.46 5.02 -1.12 -4.13 118.16 115.73 1a2l n LYS 98 Ca -0.01 0.11 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 1a2l n LYS 98 Cb 0.12 -0.91 0.05 0.00 -0.02 0.00 0.00 35.03 34.27 1a2l n LYS 98 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1a2l h THR 99 N 0.00 1.39 -1.60 -0.18 1.35 -1.32 -3.48 112.91 109.07 1a2l h THR 99 Ca 0.00 -2.14 -0.29 0.00 -0.55 0.00 0.00 66.41 63.43 1a2l h THR 99 Cb 0.00 2.11 -0.05 0.00 -1.73 0.00 0.00 68.15 68.49 1a2l h THR 99 CO 0.00 0.64 -0.33 0.00 -0.25 0.00 0.00 175.52 175.58 1a2l n GLN 100 N -3.83 -1.09 -0.04 4.72 6.02 0.17 -4.90 117.38 118.43 1a2l n GLN 100 Ca -0.04 0.79 -0.11 0.00 -0.01 0.00 0.00 57.00 57.63 1a2l n GLN 100 Cb 0.69 -5.02 0.03 0.00 1.02 0.00 0.00 30.24 26.97 1a2l n GLN 100 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1a2l h THR 101 N 0.00 1.30 -3.06 5.09 1.35 -1.01 -3.42 112.91 113.16 1a2l h THR 101 Ca -0.32 -1.67 -0.57 0.00 -0.55 0.00 0.00 66.41 63.30 1a2l h THR 101 Cb 1.15 1.60 -0.05 0.00 -1.73 0.00 0.00 68.15 69.12 1a2l h THR 101 CO 0.41 0.53 0.96 -0.63 -0.25 0.00 0.00 175.52 176.55 1a2l s ILE 102 N -4.18 4.15 0.00 6.82 1.01 -0.31 -4.78 121.20 123.91 1a2l s ILE 102 Ca -0.09 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1a2l s ILE 102 Cb 0.11 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1a2l s ILE 102 CO 0.85 -0.38 0.11 0.54 0.00 0.00 0.00 174.94 176.06 1a2l n ARG 103 N 7.16 -0.01 -3.64 2.79 5.12 -1.26 -4.72 116.66 122.10 1a2l n ARG 103 Ca 0.15 -0.11 -0.10 0.00 -1.93 0.00 0.00 57.85 55.86 1a2l n ARG 103 Cb 0.46 -0.52 -0.03 0.00 -1.16 0.00 0.00 32.46 31.22 1a2l n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1a2l s SER 104 N -0.01 -0.38 0.52 0.55 1.04 -1.26 -5.00 113.70 109.16 1a2l s SER 104 Ca 0.00 -0.31 0.17 0.00 0.48 0.00 0.00 55.95 56.28 1a2l s SER 104 Cb 0.00 0.62 1.28 0.00 0.10 0.00 0.00 66.02 68.01 1a2l s SER 104 CO 0.00 -1.08 2.13 0.00 0.98 0.00 0.00 173.24 175.27 1a2l h ALA 105 N 2.08 2.05 -0.53 5.32 0.00 -1.97 -0.53 119.26 125.67 1a2l h ALA 105 Ca -0.29 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1a2l h ALA 105 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1a2l h ALA 105 CO 0.35 -0.06 -0.07 0.77 0.00 0.00 0.00 179.25 180.23 1a2l h SER 106 N 0.01 0.95 -0.30 0.00 0.02 -1.98 0.00 113.55 112.25 1a2l h SER 106 Ca 0.03 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 1a2l h SER 106 Cb 0.10 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1a2l h SER 106 CO -0.00 1.05 -0.13 0.44 -1.14 0.00 0.00 176.83 177.05 1a2l h ASP 107 N 0.87 0.72 -0.56 3.07 3.32 -1.50 -0.99 116.42 121.35 1a2l h ASP 107 Ca 0.14 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 1a2l h ASP 107 Cb 0.61 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1a2l h ASP 107 CO 0.04 0.87 -0.08 0.40 -1.72 0.00 0.00 179.24 178.75 1a2l h ILE 108 N 0.66 1.27 -0.38 0.35 2.04 -1.01 -2.88 117.51 117.56 1a2l h ILE 108 Ca 0.11 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 1a2l h ILE 108 Cb 0.59 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1a2l h ILE 108 CO 0.04 0.44 0.23 -0.09 0.00 0.00 0.00 178.15 178.77 1a2l h ARG 109 N 0.93 0.52 -0.61 2.37 2.43 -0.49 -2.69 114.38 116.85 1a2l h ARG 109 Ca 0.15 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1a2l h ARG 109 Cb 0.66 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 1a2l h ARG 109 CO 0.05 0.39 0.28 -0.44 -1.51 0.00 0.00 179.97 178.73 1a2l h ASP 110 N 0.50 0.36 -0.28 -3.80 3.32 -1.04 -2.18 116.42 113.30 1a2l h ASP 110 Ca 0.14 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.31 1a2l h ASP 110 Cb 0.00 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 1a2l h ASP 110 CO -0.03 0.22 -0.32 0.58 -1.72 0.00 0.00 179.24 177.98 1a2l h VAL 111 N 0.51 0.26 -0.77 -1.35 2.07 -1.27 0.28 116.25 115.98 1a2l h VAL 111 Ca 0.29 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.86 1a2l h VAL 111 Cb 0.29 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1a2l h VAL 111 CO -0.24 0.00 0.47 -0.26 0.02 0.00 0.00 177.57 177.56 1a2l h PHE 112 N -0.31 0.88 -0.38 1.57 -1.00 -1.32 0.23 116.94 116.61 1a2l h PHE 112 Ca 0.14 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 1a2l h PHE 112 Cb 0.54 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1a2l h PHE 112 CO -0.48 0.47 0.18 0.82 -1.61 0.00 0.00 178.31 177.69 1a2l h ILE 113 N 0.89 1.18 0.00 -0.55 2.04 -0.63 -1.46 117.51 118.98 1a2l h ILE 113 Ca 0.33 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1a2l h ILE 113 Cb 0.10 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1a2l h ILE 113 CO -0.15 0.19 -0.07 0.78 0.00 0.00 0.00 178.15 178.91 1a2l h ASN 114 N 0.48 0.00 1.35 1.72 2.35 0.20 -1.49 115.58 120.18 1a2l h ASN 114 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1a2l h ASN 114 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1a2l h ASN 114 CO -0.01 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 1a2l h ALA 115 N 1.93 1.00 0.00 -0.83 0.00 0.08 -3.47 119.26 117.98 1a2l h ALA 115 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a2l h ALA 115 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a2l h ALA 115 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1a2l n GLY 116 N 0.96 1.51 3.72 0.00 0.00 -0.56 -5.08 105.19 105.73 1a2l n GLY 116 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1a2l n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a2l s ILE 117 N -1.99 4.74 0.28 -0.61 1.01 -0.93 -5.01 121.20 118.70 1a2l s ILE 117 Ca 0.00 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.35 1a2l s ILE 117 Cb 0.00 -4.29 -0.10 0.00 0.01 0.00 0.00 42.46 38.08 1a2l s ILE 117 CO 0.00 0.24 1.45 -0.75 0.00 0.00 0.00 174.94 175.88 1a2l s LYS 118 N 0.55 4.24 0.44 2.79 2.20 -1.26 -3.88 119.74 124.82 1a2l s LYS 118 Ca 0.48 2.37 0.18 0.00 -0.36 0.00 0.00 55.97 58.63 1a2l s LYS 118 Cb -0.22 -3.07 1.11 0.00 -1.51 0.00 0.00 37.83 34.14 1a2l s LYS 118 CO 0.28 -0.43 1.91 0.78 -0.36 0.00 0.00 175.35 177.52 1a2l h GLY 119 N 4.55 0.66 0.90 5.54 0.00 -1.94 -0.27 103.07 112.50 1a2l h GLY 119 Ca -0.47 -0.16 -0.17 0.00 0.00 0.00 0.00 47.33 46.53 1a2l h GLY 119 CO 0.75 0.04 -0.61 1.05 0.00 0.00 0.00 176.54 177.76 1a2l h GLU 120 N 0.36 0.52 -0.24 4.80 4.11 -1.99 -2.26 114.58 119.88 1a2l h GLU 120 Ca 0.39 -0.48 0.06 0.00 0.07 0.00 0.00 59.36 59.40 1a2l h GLU 120 Cb 0.99 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1a2l h GLU 120 CO -0.12 1.11 0.17 1.49 0.07 0.00 0.00 179.01 181.73 1a2l h GLU 121 N 0.10 0.06 0.01 1.06 4.81 -1.49 0.28 114.58 119.40 1a2l h GLU 121 Ca -0.06 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1a2l h GLU 121 Cb 1.28 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1a2l h GLU 121 CO 0.12 0.04 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.52 1a2l h TYR 122 N 0.06 -0.01 -0.45 0.92 3.20 -1.06 -2.75 116.97 116.88 1a2l h TYR 122 Ca 0.11 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1a2l h TYR 122 Cb 0.36 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1a2l h TYR 122 CO -0.00 0.82 0.14 -0.44 -1.64 0.00 0.00 178.16 177.04 1a2l h ASP 123 N -0.88 0.61 -0.12 -2.11 3.32 -0.92 0.28 116.42 116.59 1a2l h ASP 123 Ca -0.00 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1a2l h ASP 123 Cb 0.83 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1a2l h ASP 123 CO 0.00 0.58 0.07 0.00 -1.72 0.00 0.00 179.24 178.17 1a2l h ALA 124 N 1.51 0.15 -0.19 3.45 0.00 -0.54 -2.98 119.26 120.65 1a2l h ALA 124 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1a2l h ALA 124 Cb 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1a2l h ALA 124 CO -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 179.25 178.83 1a2l h ALA 125 N 0.97 0.27 -0.91 0.00 0.00 -1.14 -2.63 119.26 115.82 1a2l h ALA 125 Ca 0.04 -0.29 0.26 0.00 0.00 0.00 0.00 54.91 54.92 1a2l h ALA 125 Cb 0.07 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 1a2l h ALA 125 CO -0.01 0.10 0.23 2.35 0.00 0.00 0.00 179.25 181.92 1a2l h TRP 126 N 0.09 0.33 -0.00 0.00 2.91 -0.37 0.17 115.95 119.09 1a2l h TRP 126 Ca 0.04 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1a2l h TRP 126 Cb 0.58 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.23 1a2l h TRP 126 CO 0.06 -0.27 -0.59 0.09 -1.03 0.00 0.00 178.44 176.71 1a2l n ASN 127 N -5.27 0.61 -4.57 2.65 3.02 -1.14 -4.70 115.26 105.87 1a2l n ASN 127 Ca 0.23 -0.41 -0.32 0.00 -0.03 0.00 0.00 54.58 54.05 1a2l n ASN 127 Cb 0.75 0.39 0.15 0.00 -0.61 0.00 0.00 39.78 40.46 1a2l n ASN 127 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1a2l n SER 128 N -1.48 -0.64 0.19 6.41 3.41 0.59 -4.83 113.62 117.27 1a2l n SER 128 Ca 0.05 0.39 0.05 0.00 -0.26 0.00 0.00 58.87 59.10 1a2l n SER 128 Cb 0.33 -1.37 0.39 0.00 -0.26 0.00 0.00 64.21 63.30 1a2l n SER 128 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1a2l h PHE 129 N -1.75 0.00 -0.04 7.33 0.04 -1.91 -2.50 116.94 118.10 1a2l h PHE 129 Ca -0.43 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.33 1a2l h PHE 129 Cb 1.28 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.42 1a2l h PHE 129 CO 0.45 0.36 0.01 0.28 -0.60 0.00 0.00 178.31 178.81 1a2l h VAL 130 N 0.00 1.22 -0.54 -0.55 2.07 -1.90 0.69 116.25 117.23 1a2l h VAL 130 Ca -0.00 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1a2l h VAL 130 Cb 0.76 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1a2l h VAL 130 CO 0.05 0.18 0.20 0.58 0.02 0.00 0.00 177.57 178.60 1a2l h VAL 131 N -0.19 1.22 -0.83 2.57 2.07 -1.76 0.10 116.25 119.44 1a2l h VAL 131 Ca 0.01 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1a2l h VAL 131 Cb 0.28 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1a2l h VAL 131 CO 0.00 0.27 0.54 0.11 0.02 0.00 0.00 177.57 178.51 1a2l h LYS 132 N 0.74 1.10 -0.41 1.57 1.57 -1.36 -0.28 116.57 119.49 1a2l h LYS 132 Ca 0.18 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1a2l h LYS 132 Cb 0.22 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1a2l h LYS 132 CO -0.01 0.73 0.01 1.03 -0.57 0.00 0.00 179.45 180.64 1a2l h SER 133 N 1.13 0.70 -0.54 0.86 0.87 -0.38 -3.01 113.55 113.18 1a2l h SER 133 Ca 0.30 -0.30 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1a2l h SER 133 Cb -0.12 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 1a2l h SER 133 CO -0.06 0.83 0.15 -0.07 -0.53 0.00 0.00 176.83 177.15 1a2l h LEU 134 N 0.55 0.80 -1.12 2.23 4.07 -0.34 0.10 115.31 121.61 1a2l h LEU 134 Ca 0.12 -0.22 0.09 0.00 0.08 0.00 0.00 57.88 57.95 1a2l h LEU 134 Cb 0.47 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 41.93 1a2l h LEU 134 CO 0.02 0.81 0.60 0.58 -1.08 0.00 0.00 178.44 179.37 1a2l h VAL 135 N 0.76 1.00 -0.09 1.22 2.07 -1.03 0.84 116.25 121.02 1a2l h VAL 135 Ca 0.17 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1a2l h VAL 135 Cb 0.31 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1a2l h VAL 135 CO -0.00 0.18 -0.36 0.00 0.02 0.00 0.00 177.57 177.41 1a2l h ALA 136 N 1.53 0.16 -0.84 1.67 0.00 -1.33 -2.74 119.26 117.70 1a2l h ALA 136 Ca 0.43 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1a2l h ALA 136 Cb 0.34 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1a2l h ALA 136 CO -0.19 0.24 0.55 -0.56 0.00 0.00 0.00 179.25 179.29 1a2l h GLN 137 N -0.06 0.95 -0.36 0.00 3.07 0.15 0.90 115.11 119.76 1a2l h GLN 137 Ca -0.02 -0.06 -0.13 0.00 0.09 0.00 0.00 58.65 58.53 1a2l h GLN 137 Cb 1.00 -0.22 -0.01 0.00 0.08 0.00 0.00 27.48 28.34 1a2l h GLN 137 CO 0.07 0.63 -0.30 1.96 0.09 0.00 0.00 178.83 181.29 1a2l h GLN 138 N 0.98 0.84 -0.08 0.06 4.20 -0.91 -1.21 115.11 118.99 1a2l h GLN 138 Ca 0.35 -0.42 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 1a2l h GLN 138 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1a2l h GLN 138 CO -0.12 1.06 -0.70 0.93 -0.67 0.00 0.00 178.83 179.33 1a2l h GLU 139 N 0.64 0.39 -0.52 1.46 5.08 -0.99 -1.59 114.58 119.04 1a2l h GLU 139 Ca 0.06 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 1a2l h GLU 139 Cb 0.88 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1a2l h GLU 139 CO 0.08 0.94 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.73 1a2l h LYS 140 N 0.27 0.98 -0.18 2.33 3.11 0.86 -1.41 116.57 122.53 1a2l h LYS 140 Ca -0.02 -0.35 -0.10 0.00 -2.81 0.00 0.00 60.65 57.36 1a2l h LYS 140 Cb 1.27 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1a2l h LYS 140 CO 0.12 1.02 -0.29 0.00 -2.81 0.00 0.00 179.45 177.50 1a2l h ALA 141 N 0.92 0.27 -0.11 5.00 0.00 -1.19 -2.07 119.26 122.09 1a2l h ALA 141 Ca 0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a2l h ALA 141 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1a2l h ALA 141 CO 0.04 0.28 0.05 0.00 0.00 0.00 0.00 179.25 179.63 1a2l h ALA 142 N 0.59 1.89 -0.14 0.00 0.00 -1.23 -2.07 119.26 118.31 1a2l h ALA 142 Ca 0.01 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1a2l h ALA 142 Cb 0.87 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1a2l h ALA 142 CO 0.07 0.09 -0.80 0.00 0.00 0.00 0.00 179.25 178.61 1a2l h ALA 143 N 1.91 0.28 -0.30 0.00 0.00 -1.06 -2.78 119.26 117.32 1a2l h ALA 143 Ca 0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1a2l h ALA 143 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a2l h ALA 143 CO -0.01 0.67 0.11 -0.44 0.00 0.00 0.00 179.25 179.59 1a2l h ASP 144 N 0.52 0.42 0.45 0.00 3.32 -0.70 -2.81 116.42 117.62 1a2l h ASP 144 Ca -0.06 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1a2l h ASP 144 Cb 1.43 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1a2l h ASP 144 CO 0.16 0.48 0.00 1.33 -1.72 0.00 0.00 179.24 179.49 1a2l n VAL 145 N -4.73 0.39 -3.53 -1.35 0.24 -0.93 -4.90 118.33 103.51 1a2l n VAL 145 Ca -0.02 0.10 -0.20 0.00 -2.04 0.00 0.00 64.34 62.18 1a2l n VAL 145 Cb 0.14 -0.75 0.08 0.00 -1.47 0.00 0.00 33.84 31.84 1a2l n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a2l n GLN 146 N -1.32 -6.63 -2.20 7.34 6.02 -1.06 -4.95 117.38 114.57 1a2l n GLN 146 Ca 0.09 0.80 -0.38 0.00 -0.01 0.00 0.00 57.00 57.50 1a2l n GLN 146 Cb 0.18 -5.76 -0.01 0.00 1.02 0.00 0.00 30.24 25.68 1a2l n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1a2l s LEU 147 N -6.66 4.08 0.00 1.08 2.96 -1.06 -4.95 118.68 114.14 1a2l s LEU 147 Ca 0.16 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 1a2l s LEU 147 Cb -0.07 -4.13 0.00 0.00 0.50 0.00 0.00 46.19 42.49 1a2l s LEU 147 CO 0.75 -0.89 0.00 0.54 -1.32 0.00 0.00 176.35 175.43 1a2l n ARG 148 N -0.27 1.49 -4.20 1.98 1.74 -1.26 -5.00 116.66 111.15 1a2l n ARG 148 Ca 0.06 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 1a2l n ARG 148 Cb 0.47 -0.78 -0.10 0.00 -1.02 0.00 0.00 32.46 31.02 1a2l n ARG 148 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1a2l s GLY 149 N -2.61 1.34 0.04 -0.13 0.00 -1.26 -5.14 107.32 99.56 1a2l s GLY 149 Ca 0.00 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.07 1a2l s GLY 149 CO 0.00 -1.41 -0.05 -1.34 0.00 0.00 0.00 173.10 170.30 1a2l s VAL 150 N -4.07 0.28 0.85 1.40 -7.23 -1.26 -4.47 120.40 105.90 1a2l s VAL 150 Ca 0.34 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 1a2l s VAL 150 Cb 0.07 -0.65 0.10 0.00 0.56 0.00 0.00 36.38 36.47 1a2l s VAL 150 CO 0.09 -0.57 1.09 -2.16 -0.31 0.00 0.00 175.10 173.24 1a2l s PRO 151 N -2.04 1.63 -0.24 4.82 0.04 -1.26 -4.73 135.00 133.23 1a2l s PRO 151 Ca -0.09 0.83 -0.26 0.00 0.04 0.00 0.00 61.00 61.52 1a2l s PRO 151 Cb -0.06 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.72 1a2l s PRO 151 CO -0.02 -1.98 0.83 0.00 0.04 0.00 0.00 177.00 175.87 1a2l s ALA 152 N -2.98 -1.85 0.01 8.56 0.00 -1.09 -5.01 121.76 119.40 1a2l s ALA 152 Ca 0.62 1.85 0.04 0.00 0.00 0.00 0.00 51.96 54.48 1a2l s ALA 152 Cb -0.17 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1a2l s ALA 152 CO 0.56 -0.31 -0.12 -1.64 0.00 0.00 0.00 175.76 174.25 1a2l s MET 153 N 0.01 0.90 -0.03 0.00 -1.94 -1.26 -1.16 119.30 115.82 1a2l s MET 153 Ca -0.01 -0.57 0.02 0.00 -1.71 0.00 0.00 55.69 53.42 1a2l s MET 153 Cb -0.04 -0.88 0.01 0.00 2.01 0.00 0.00 34.83 35.93 1a2l s MET 153 CO 0.00 0.23 -0.07 -0.06 -0.01 0.00 0.00 175.02 175.11 1a2l s PHE 154 N -0.57 0.81 -0.13 -0.03 0.40 0.06 -1.27 117.98 117.24 1a2l s PHE 154 Ca 0.02 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.14 1a2l s PHE 154 Cb -0.06 -0.62 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 1a2l s PHE 154 CO 0.00 -0.12 -0.10 0.08 0.70 0.00 0.00 175.22 175.78 1a2l s VAL 155 N 0.40 3.30 -2.05 -0.44 1.01 -0.45 -0.74 120.40 121.43 1a2l s VAL 155 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1a2l s VAL 155 Cb -0.10 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1a2l s VAL 155 CO 0.00 0.52 0.00 0.59 0.00 0.00 0.00 175.10 176.21 1a2l n ASN 156 N 3.47 -5.30 -3.79 3.32 3.02 0.45 -2.09 115.26 114.34 1a2l n ASN 156 Ca -0.18 0.42 -0.29 0.00 -0.03 0.00 0.00 54.58 54.50 1a2l n ASN 156 Cb 0.53 -4.66 0.03 0.00 -0.61 0.00 0.00 39.78 35.07 1a2l n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a2l n GLY 157 N -0.47 -0.51 0.61 7.41 0.00 -1.26 -4.78 105.19 106.19 1a2l n GLY 157 Ca -0.20 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1a2l n GLY 157 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a2l n LYS 158 N -4.63 0.00 -4.18 1.61 4.81 -0.89 -0.77 118.16 114.11 1a2l n LYS 158 Ca 0.03 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.14 1a2l n LYS 158 Cb 0.53 -0.34 -0.08 0.00 0.02 0.00 0.00 35.03 35.17 1a2l n LYS 158 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1a2l s TYR 159 N -1.30 3.22 -0.15 5.64 2.02 -1.04 -1.31 117.35 124.42 1a2l s TYR 159 Ca 0.00 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.89 1a2l s TYR 159 Cb 0.00 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1a2l s TYR 159 CO 0.00 0.52 -0.19 -1.14 -1.57 0.00 0.00 175.55 173.18 1a2l s GLN 160 N -1.53 3.10 0.62 -0.62 0.74 0.11 -1.34 119.66 120.75 1a2l s GLN 160 Ca 0.20 -0.80 -0.18 0.00 0.05 0.00 0.00 55.36 54.62 1a2l s GLN 160 Cb -0.12 -2.54 -0.02 0.00 1.10 0.00 0.00 33.01 31.43 1a2l s GLN 160 CO 0.11 -0.03 1.26 -0.51 -0.55 0.00 0.00 175.29 175.56 1a2l s LEU 161 N 0.89 3.61 -0.39 3.68 2.01 -0.40 -0.15 118.68 127.93 1a2l s LEU 161 Ca -0.05 2.52 0.01 0.00 0.01 0.00 0.00 54.13 56.62 1a2l s LEU 161 Cb -0.15 -4.61 0.13 0.00 0.01 0.00 0.00 46.19 41.57 1a2l s LEU 161 CO -0.03 -1.83 0.21 0.21 1.01 0.00 0.00 176.35 175.93 1a2l s ASN 162 N -1.49 3.36 0.55 2.29 2.47 0.65 -4.77 114.94 118.00 1a2l s ASN 162 Ca 0.80 -2.34 0.30 0.00 0.42 0.00 0.00 52.86 52.05 1a2l s ASN 162 Cb -0.34 -0.72 1.63 0.00 -1.45 0.00 0.00 41.25 40.37 1a2l s ASN 162 CO 0.37 -0.30 2.14 1.55 -3.72 0.00 0.00 177.10 177.13 1a2l h PRO 163 N 6.98 0.00 0.00 0.43 0.13 -1.89 -2.66 132.00 134.99 1a2l h PRO 163 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1a2l h PRO 163 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1a2l h PRO 163 CO 0.38 0.08 0.00 1.96 -0.23 0.00 0.00 178.00 180.19 1a2l h GLN 164 N 0.00 0.00 -0.58 0.86 7.50 -1.94 -2.42 115.11 118.53 1a2l h GLN 164 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1a2l h GLN 164 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.77 1a2l h GLN 164 CO 0.01 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.75 1a2l n GLY 165 N -0.30 2.96 3.67 3.46 0.00 -1.00 -4.96 105.19 109.02 1a2l n GLY 165 Ca -0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 1a2l n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a2l s MET 166 N -2.26 2.39 -0.34 1.61 -1.94 -0.91 -4.44 119.30 113.39 1a2l s MET 166 Ca 0.51 -1.29 -0.28 0.00 -1.71 0.00 0.00 55.69 52.93 1a2l s MET 166 Cb 0.36 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.91 1a2l s MET 166 CO 0.20 0.40 1.91 0.16 -0.01 0.00 0.00 175.02 177.67 1a2l s ASP 167 N -3.47 5.69 -0.03 3.03 3.84 -1.26 -4.84 116.67 119.63 1a2l s ASP 167 Ca 0.30 1.30 0.20 0.00 -0.00 0.00 0.00 52.55 54.36 1a2l s ASP 167 Cb -0.07 -2.52 0.63 0.00 -1.38 0.00 0.00 42.92 39.58 1a2l s ASP 167 CO 0.20 -1.87 1.53 0.41 -0.00 0.00 0.00 175.17 175.44 1a2l n THR 168 N 7.48 1.15 0.32 2.11 -1.04 -1.26 -3.54 114.28 119.51 1a2l n THR 168 Ca 0.24 -0.98 0.15 0.00 -2.04 0.00 0.00 64.05 61.43 1a2l n THR 168 Cb 0.47 0.36 0.65 0.00 -1.82 0.00 0.00 70.33 70.00 1a2l n THR 168 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1a2l h SER 169 N 4.00 0.00 -4.36 8.00 4.64 -2.00 -3.44 113.55 120.41 1a2l h SER 169 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1a2l h SER 169 Cb 1.05 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.93 1a2l h SER 169 CO 0.06 0.00 -0.05 0.21 -0.87 0.00 0.00 176.83 176.18 1a2l s ASN 170 N -4.94 -0.52 0.05 4.97 2.47 -1.26 -5.08 114.94 110.62 1a2l s ASN 170 Ca 0.02 0.83 -0.34 0.00 0.42 0.00 0.00 52.86 53.79 1a2l s ASN 170 Cb 0.09 0.85 -0.19 0.00 -1.45 0.00 0.00 41.25 40.55 1a2l s ASN 170 CO 0.45 -0.33 1.43 0.24 -3.72 0.00 0.00 177.10 175.17 1a2l h MET 171 N 4.53 -1.19 -0.90 0.43 2.86 -1.91 -0.88 114.93 117.88 1a2l h MET 171 Ca -0.28 0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.50 1a2l h MET 171 Cb 1.17 0.27 -0.06 0.00 0.06 0.00 0.00 31.60 33.04 1a2l h MET 171 CO 0.25 -0.79 0.59 -0.44 1.06 0.00 0.00 176.91 177.58 1a2l h ASP 172 N -1.32 0.91 -0.54 1.22 3.32 -1.98 0.57 116.42 118.60 1a2l h ASP 172 Ca -0.13 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1a2l h ASP 172 Cb 0.94 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1a2l h ASP 172 CO 0.21 0.59 0.22 0.58 -1.72 0.00 0.00 179.24 179.12 1a2l h VAL 173 N 1.04 1.22 -0.12 -1.35 2.07 -1.89 -1.46 116.25 115.76 1a2l h VAL 173 Ca 0.38 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1a2l h VAL 173 Cb 0.17 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1a2l h VAL 173 CO -0.14 0.26 -0.05 0.15 0.02 0.00 0.00 177.57 177.82 1a2l h PHE 174 N 0.74 0.28 0.01 1.57 3.57 -0.24 -2.42 116.94 120.45 1a2l h PHE 174 Ca 0.18 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1a2l h PHE 174 Cb 0.20 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1a2l h PHE 174 CO 0.01 0.57 -0.00 0.28 -2.23 0.00 0.00 178.31 176.94 1a2l h VAL 175 N -0.09 1.01 -0.01 1.41 2.07 -0.87 -1.52 116.25 118.25 1a2l h VAL 175 Ca 0.03 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1a2l h VAL 175 Cb 0.49 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1a2l h VAL 175 CO 0.02 0.02 -0.18 1.56 0.02 0.00 0.00 177.57 179.00 1a2l h GLN 176 N -0.04 0.02 -0.08 1.57 7.50 -1.34 -0.35 115.11 122.39 1a2l h GLN 176 Ca -0.00 -0.00 -0.19 0.00 0.50 0.00 0.00 58.65 58.96 1a2l h GLN 176 Cb 0.04 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.56 1a2l h GLN 176 CO 0.00 0.20 -0.74 0.37 -1.50 0.00 0.00 178.83 177.16 1a2l h GLN 177 N 0.02 0.44 -0.24 1.46 4.15 -1.17 0.18 115.11 119.95 1a2l h GLN 177 Ca 0.00 -0.36 -0.08 0.00 0.77 0.00 0.00 58.65 58.99 1a2l h GLN 177 Cb 0.33 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1a2l h GLN 177 CO 0.02 1.00 -0.14 -0.92 -1.93 0.00 0.00 178.83 176.86 1a2l h TYR 178 N 0.30 0.61 -0.10 3.99 5.03 -0.64 -1.99 116.97 124.16 1a2l h TYR 178 Ca -0.03 -0.16 -0.00 0.00 2.58 0.00 0.00 58.73 61.12 1a2l h TYR 178 Cb 1.32 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.46 1a2l h TYR 178 CO 0.05 0.80 0.06 0.00 -1.32 0.00 0.00 178.16 177.75 1a2l h ALA 179 N 0.71 0.13 -0.42 1.82 0.00 -0.99 -2.24 119.26 118.27 1a2l h ALA 179 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1a2l h ALA 179 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1a2l h ALA 179 CO 0.04 -0.34 0.12 -0.44 0.00 0.00 0.00 179.25 178.62 1a2l h ASP 180 N 0.09 0.57 -0.58 0.00 3.32 -0.96 -1.50 116.42 117.36 1a2l h ASP 180 Ca 0.04 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1a2l h ASP 180 Cb 0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1a2l h ASP 180 CO -0.01 0.56 0.19 0.74 -1.72 0.00 0.00 179.24 179.00 1a2l h THR 181 N 0.61 1.24 -0.04 0.35 2.02 -1.09 -1.33 112.91 114.67 1a2l h THR 181 Ca 0.14 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1a2l h THR 181 Cb 0.21 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1a2l h THR 181 CO -0.01 0.30 0.01 0.58 0.37 0.00 0.00 175.52 176.78 1a2l h VAL 182 N 0.82 1.17 -0.68 3.16 2.07 -0.91 -0.69 116.25 121.18 1a2l h VAL 182 Ca 0.19 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.31 1a2l h VAL 182 Cb 0.28 1.45 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 1a2l h VAL 182 CO -0.01 0.14 0.27 0.11 0.02 0.00 0.00 177.57 178.10 1a2l h LYS 183 N -0.15 0.43 0.21 1.57 1.57 -1.14 -0.82 116.57 118.24 1a2l h LYS 183 Ca 0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1a2l h LYS 183 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1a2l h LYS 183 CO -0.00 0.28 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.14 1a2l h TYR 184 N 0.44 -0.26 -0.79 -1.35 3.20 -1.01 -2.80 116.97 114.40 1a2l h TYR 184 Ca 0.36 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.26 1a2l h TYR 184 Cb 0.48 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 1a2l h TYR 184 CO -0.17 -0.10 0.52 -0.07 -1.64 0.00 0.00 178.16 176.71 1a2l h LEU 185 N -0.36 0.82 -1.70 2.82 3.38 -0.57 -0.91 115.31 118.80 1a2l h LEU 185 Ca -0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1a2l h LEU 185 Cb 0.28 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1a2l h LEU 185 CO 0.05 0.56 -0.15 -1.28 0.09 0.00 0.00 178.44 177.71 1a2l h SER 186 N 0.95 0.00 -0.03 -0.43 0.87 -1.04 -2.51 113.55 111.36 1a2l h SER 186 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1a2l h SER 186 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1a2l h SER 186 CO -0.10 0.15 0.00 -0.62 -0.53 0.00 0.00 176.83 175.73 1a2l n GLU 187 N -3.54 1.14 0.00 2.24 1.02 -0.35 -5.08 120.64 116.07 1a2l n GLU 187 Ca -0.01 -0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.07 1a2l n GLU 187 Cb 0.29 -1.31 0.07 0.00 -0.02 0.00 0.00 31.44 30.47 1a2l n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94