#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b5l n TYR 2 N 0.00 0.81 -0.26 0.00 4.11 -1.26 -2.24 117.16 118.31 1b5l n TYR 2 Ca 0.00 0.34 0.10 0.00 -0.00 0.00 0.00 57.90 58.35 1b5l n TYR 2 Cb 0.00 -1.05 0.31 0.00 -0.00 0.00 0.00 39.34 38.60 1b5l n TYR 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1b5l n LEU 3 N -2.26 3.91 -0.04 -3.48 4.77 -1.26 -4.64 117.00 114.00 1b5l n LEU 3 Ca 0.01 -1.96 -0.10 0.00 -0.03 0.00 0.00 56.01 53.93 1b5l n LEU 3 Cb 0.17 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1b5l n LEU 3 CO 0.17 0.87 0.64 0.28 -1.33 0.00 0.00 177.39 178.02 1b5l h SER 4 N 3.96 -1.04 -0.39 -1.43 0.02 -1.87 0.24 113.55 113.03 1b5l h SER 4 Ca 0.00 0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1b5l h SER 4 Cb 1.05 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 1b5l h SER 4 CO 0.07 -0.35 -0.05 0.03 -1.14 0.00 0.00 176.83 175.39 1b5l h ARG 5 N -0.35 0.72 -0.64 3.45 2.47 -1.86 -2.57 114.38 115.61 1b5l h ARG 5 Ca 0.12 -0.26 0.07 0.00 -1.26 0.00 0.00 59.98 58.66 1b5l h ARG 5 Cb 0.54 -0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.75 1b5l h ARG 5 CO -0.42 0.84 0.32 -0.22 0.56 0.00 0.00 179.97 181.05 1b5l h LYS 6 N 0.54 0.56 -0.57 0.04 1.63 -1.74 -1.55 116.57 115.47 1b5l h LYS 6 Ca 0.10 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.92 1b5l h LYS 6 Cb 0.55 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.01 1b5l h LYS 6 CO 0.03 0.37 0.31 -0.07 -3.45 0.00 0.00 179.45 176.65 1b5l h LEU 7 N 0.58 0.47 -0.97 5.20 3.38 -0.42 0.11 115.31 123.66 1b5l h LEU 7 Ca 0.30 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 1b5l h LEU 7 Cb 0.25 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1b5l h LEU 7 CO -0.22 0.32 -0.01 0.24 0.09 0.00 0.00 178.44 178.86 1b5l h MET 8 N 0.60 0.74 -0.20 1.13 2.86 -1.02 -1.44 114.93 117.60 1b5l h MET 8 Ca 0.25 -0.20 -0.14 0.00 -2.06 0.00 0.00 59.70 57.56 1b5l h MET 8 Cb 0.13 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1b5l h MET 8 CO -0.15 0.76 -0.44 -0.07 1.06 0.00 0.00 176.91 178.06 1b5l h LEU 9 N 0.69 0.54 -0.18 1.22 3.38 -0.76 -1.76 115.31 118.43 1b5l h LEU 9 Ca 0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1b5l h LEU 9 Cb 0.44 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1b5l h LEU 9 CO 0.02 0.91 0.10 0.44 0.09 0.00 0.00 178.44 180.00 1b5l h ASP 10 N 0.41 0.22 -0.35 -0.43 3.32 -0.46 -2.21 116.42 116.92 1b5l h ASP 10 Ca 0.03 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1b5l h ASP 10 Cb 0.94 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1b5l h ASP 10 CO 0.08 0.23 0.19 0.00 -1.72 0.00 0.00 179.24 178.02 1b5l h ALA 11 N 1.00 0.44 -0.77 3.45 0.00 -1.07 -1.09 119.26 121.22 1b5l h ALA 11 Ca 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1b5l h ALA 11 Cb 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1b5l h ALA 11 CO -0.01 -0.02 0.51 0.00 0.00 0.00 0.00 179.25 179.72 1b5l h ARG 12 N 0.43 1.00 -0.45 0.00 3.08 -1.32 -0.74 114.38 116.39 1b5l h ARG 12 Ca 0.12 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1b5l h ARG 12 Cb 0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1b5l h ARG 12 CO -0.02 0.66 -0.14 1.49 -1.07 0.00 0.00 179.97 180.89 1b5l h GLU 13 N 1.03 0.84 -0.59 0.04 4.57 -1.09 -0.99 114.58 118.39 1b5l h GLU 13 Ca 0.29 -0.30 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1b5l h GLU 13 Cb -0.10 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 1b5l h GLU 13 CO -0.07 0.93 0.02 -0.91 -1.18 0.00 0.00 179.01 177.80 1b5l h ASN 14 N 0.75 1.01 -0.80 1.04 2.35 -0.87 -1.91 115.58 117.16 1b5l h ASN 14 Ca 0.12 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1b5l h ASN 14 Cb 0.65 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 1b5l h ASN 14 CO 0.05 1.06 0.42 -0.07 -1.65 0.00 0.00 177.43 177.24 1b5l h LEU 15 N 0.93 1.02 -0.38 1.61 3.38 -0.97 -0.83 115.31 120.06 1b5l h LEU 15 Ca 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1b5l h LEU 15 Cb 0.53 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1b5l h LEU 15 CO 0.03 0.83 0.11 0.50 0.09 0.00 0.00 178.44 180.00 1b5l h LYS 16 N 1.13 0.60 -0.55 1.13 3.64 -0.94 -0.62 116.57 120.96 1b5l h LYS 16 Ca 0.28 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1b5l h LYS 16 Cb 0.06 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1b5l h LYS 16 CO -0.04 0.62 0.12 -0.07 -2.27 0.00 0.00 179.45 177.81 1b5l h LEU 17 N 0.47 0.85 -0.49 5.20 3.38 -1.15 -1.56 115.31 122.01 1b5l h LEU 17 Ca 0.12 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1b5l h LEU 17 Cb 0.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1b5l h LEU 17 CO -0.00 0.87 -0.20 0.25 0.09 0.00 0.00 178.44 179.45 1b5l h LEU 18 N 0.79 1.02 -0.41 1.67 5.85 -1.07 -1.41 115.31 121.76 1b5l h LEU 18 Ca 0.17 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 1b5l h LEU 18 Cb 0.36 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1b5l h LEU 18 CO 0.00 1.18 0.08 -0.78 -0.34 0.00 0.00 178.44 178.59 1b5l h ASP 19 N 0.85 0.63 -0.50 1.25 3.58 -1.01 -1.33 116.42 119.89 1b5l h ASP 19 Ca 0.11 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 1b5l h ASP 19 Cb 0.78 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1b5l h ASP 19 CO 0.06 0.72 0.30 -0.09 -2.88 0.00 0.00 179.24 177.35 1b5l h ARG 20 N 0.52 0.68 -0.34 0.28 2.43 -1.20 0.44 114.38 117.19 1b5l h ARG 20 Ca 0.13 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1b5l h ARG 20 Cb 0.34 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1b5l h ARG 20 CO 0.00 0.49 -0.15 0.00 -1.51 0.00 0.00 179.97 178.81 1b5l h MET 21 N 0.66 0.60 -0.39 0.20 -0.00 -1.11 -0.31 114.93 114.58 1b5l h MET 21 Ca 0.18 -0.20 -0.06 0.00 -0.00 0.00 0.00 59.70 59.62 1b5l h MET 21 Cb -0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 31.53 1b5l h MET 21 CO -0.03 0.73 0.02 -0.91 -0.00 0.00 0.00 176.91 176.72 1b5l h ASN 22 N 0.55 0.67 0.44 -0.10 2.35 -0.71 -1.81 115.58 116.96 1b5l h ASN 22 Ca 0.09 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.51 1b5l h ASN 22 Cb 0.58 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1b5l h ASN 22 CO 0.04 0.80 -0.17 0.03 -1.65 0.00 0.00 177.43 176.47 1b5l h ARG 23 N 0.51 0.00 -0.16 0.81 3.08 -0.49 -2.37 114.38 115.77 1b5l h ARG 23 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1b5l h ARG 23 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1b5l h ARG 23 CO 0.02 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 180.37 1b5l n LEU 24 N -3.70 2.62 -4.62 3.04 4.77 -0.17 -4.95 117.00 113.99 1b5l n LEU 24 Ca -0.02 -1.00 -0.47 0.00 -0.03 0.00 0.00 56.01 54.50 1b5l n LEU 24 Cb 0.29 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1b5l n LEU 24 CO 0.32 0.50 1.64 -1.54 -1.33 0.00 0.00 177.39 176.98 1b5l n SER 25 N 0.99 3.25 0.00 -1.43 3.41 -0.70 -4.81 113.62 114.32 1b5l n SER 25 Ca 0.17 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 1b5l n SER 25 Cb 0.51 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1b5l n SER 25 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1b5l n PRO 26 N 7.51 0.00 -4.18 4.33 -0.02 -1.26 -4.72 135.00 136.66 1b5l n PRO 26 Ca 0.27 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 1b5l n PRO 26 Cb 0.33 -1.51 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 1b5l n PRO 26 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1b5l s HIS 27 N -2.41 3.20 -0.55 6.00 3.76 -1.26 -5.01 115.29 119.02 1b5l s HIS 27 Ca 0.00 0.16 0.01 0.00 -0.15 0.00 0.00 55.06 55.08 1b5l s HIS 27 Cb 0.00 -1.72 0.46 0.00 1.11 0.00 0.00 32.58 32.43 1b5l s HIS 27 CO 0.00 0.52 1.80 0.43 -0.85 0.00 0.00 174.74 176.63 1b5l n SER 28 N 1.33 6.75 -4.45 1.40 7.64 -1.26 -5.03 113.62 120.00 1b5l n SER 28 Ca -0.14 -3.77 -0.41 0.00 1.01 0.00 0.00 58.87 55.56 1b5l n SER 28 Cb 0.53 -0.80 0.01 0.00 -1.01 0.00 0.00 64.21 62.94 1b5l n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b5l s LEU 30 N 1.62 4.50 0.00 0.00 1.43 -1.26 -4.86 118.68 120.11 1b5l s LEU 30 Ca 0.64 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.83 1b5l s LEU 30 Cb -0.56 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.21 1b5l s LEU 30 CO 0.58 -0.18 0.74 0.00 0.23 0.00 0.00 176.35 177.71 1b5l n GLN 31 N 2.32 0.07 -0.68 1.70 6.02 -1.26 -4.82 117.38 120.74 1b5l n GLN 31 Ca 0.02 0.09 -0.32 0.00 -0.01 0.00 0.00 57.00 56.79 1b5l n GLN 31 Cb 0.46 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.16 1b5l n GLN 31 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1b5l n ASP 32 N -1.10 0.39 0.00 1.08 8.00 -1.26 -4.70 116.55 118.96 1b5l n ASP 32 Ca 0.02 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1b5l n ASP 32 Cb 0.01 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1b5l n ASP 32 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1b5l n ARG 33 N 4.05 0.00 -3.65 -1.24 3.00 -1.26 -5.05 116.66 112.51 1b5l n ARG 33 Ca 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.13 1b5l n ARG 33 Cb -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.37 1b5l n ARG 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1b5l s LYS 34 N 0.00 0.16 -0.10 -0.14 2.36 -1.26 -5.17 119.74 115.59 1b5l s LYS 34 Ca 0.00 0.23 0.01 0.00 -2.55 0.00 0.00 55.97 53.66 1b5l s LYS 34 Cb 0.00 0.06 0.02 0.00 -1.05 0.00 0.00 37.83 36.85 1b5l s LYS 34 CO 0.00 -0.03 -0.12 0.34 1.55 0.00 0.00 175.35 177.09 1b5l s ASP 35 N 0.60 2.14 0.00 1.43 -1.08 -1.26 -5.01 116.67 113.49 1b5l s ASP 35 Ca -0.01 -0.35 0.18 0.00 -0.52 0.00 0.00 52.55 51.85 1b5l s ASP 35 Cb -0.04 -0.93 0.33 0.00 -1.46 0.00 0.00 42.92 40.82 1b5l s ASP 35 CO -0.12 -0.02 1.26 0.49 0.52 0.00 0.00 175.17 177.30 1b5l n PHE 36 N 4.28 0.38 -3.67 -5.34 3.72 -1.26 -5.00 117.46 110.56 1b5l n PHE 36 Ca -0.19 -0.24 -0.23 0.00 -0.05 0.00 0.00 57.45 56.75 1b5l n PHE 36 Cb 0.51 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 39.09 1b5l n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b5l n GLY 37 N 1.14 -0.38 3.69 1.37 0.00 -1.26 -4.88 105.19 104.87 1b5l n GLY 37 Ca 0.15 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1b5l n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b5l s LEU 38 N -6.81 4.36 -0.97 0.99 2.96 -1.26 -4.88 118.68 113.07 1b5l s LEU 38 Ca 0.21 2.43 -0.06 0.00 -0.22 0.00 0.00 54.13 56.49 1b5l s LEU 38 Cb -0.10 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 1b5l s LEU 38 CO 0.79 -0.87 2.24 -2.65 -1.32 0.00 0.00 176.35 174.53 1b5l n PRO 39 N 5.69 2.26 0.04 0.98 -0.02 -1.26 -4.64 135.00 138.05 1b5l n PRO 39 Ca 0.16 -1.52 0.22 0.00 -2.02 0.00 0.00 63.50 60.34 1b5l n PRO 39 Cb 0.41 -2.47 0.72 0.00 -0.02 0.00 0.00 33.50 32.14 1b5l n PRO 39 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1b5l h GLN 40 N 6.04 0.00 -0.87 -0.52 4.20 -2.00 -2.88 115.11 119.09 1b5l h GLN 40 Ca 0.53 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.33 1b5l h GLN 40 Cb 0.21 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.87 1b5l h GLN 40 CO 1.44 0.00 -0.55 0.93 -0.67 0.00 0.00 178.83 179.98 1b5l h GLU 41 N 0.00 -0.08 -0.01 1.46 5.08 -1.99 -2.96 114.58 116.08 1b5l h GLU 41 Ca 0.25 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1b5l h GLU 41 Cb 1.32 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1b5l h GLU 41 CO -0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 179.01 177.95 1b5l n MET 42 N -5.31 -0.00 0.00 2.33 0.00 -1.09 0.54 117.12 113.59 1b5l n MET 42 Ca 0.02 0.02 0.12 0.00 0.00 0.00 0.00 57.70 57.86 1b5l n MET 42 Cb 0.30 -0.03 0.24 0.00 0.00 0.00 0.00 33.22 33.73 1b5l n MET 42 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 1b5l n VAL 43 N -2.71 0.00 0.19 3.17 3.14 -1.18 -2.67 118.33 118.28 1b5l n VAL 43 Ca 0.00 -0.29 0.06 0.00 -2.96 0.00 0.00 64.34 61.15 1b5l n VAL 43 Cb 0.00 0.94 0.38 0.00 -1.06 0.00 0.00 33.84 34.09 1b5l n VAL 43 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1b5l h GLU 44 N 2.69 0.00 0.00 1.45 4.81 0.26 -3.32 114.58 120.47 1b5l h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b5l h GLU 44 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1b5l h GLU 44 CO 0.00 0.36 0.00 0.41 -0.73 0.00 0.00 179.01 179.05 1b5l n GLY 45 N 0.01 0.46 3.02 1.92 0.00 -1.17 -5.03 105.19 104.41 1b5l n GLY 45 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1b5l n GLY 45 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b5l n ASP 46 N -0.24 -3.57 -1.78 1.61 2.03 -1.09 -4.90 116.55 108.62 1b5l n ASP 46 Ca 0.00 -0.55 -0.15 0.00 0.52 0.00 0.00 54.79 54.61 1b5l n ASP 46 Cb 0.07 -4.44 0.06 0.00 -0.72 0.00 0.00 41.12 36.08 1b5l n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b5l n GLN 47 N -3.38 1.74 -3.80 -0.67 10.64 -1.12 -4.88 117.38 115.91 1b5l n GLN 47 Ca -0.17 -1.57 -0.13 0.00 -1.83 0.00 0.00 57.00 53.30 1b5l n GLN 47 Cb 0.63 -1.62 -0.09 0.00 -0.86 0.00 0.00 30.24 28.30 1b5l n GLN 47 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1b5l s LEU 48 N -1.78 1.09 0.76 2.61 0.05 -1.26 -5.06 118.68 115.09 1b5l s LEU 48 Ca 0.30 0.07 -0.12 0.00 0.05 0.00 0.00 54.13 54.43 1b5l s LEU 48 Cb 0.25 1.03 0.05 0.00 -2.05 0.00 0.00 46.19 45.47 1b5l s LEU 48 CO 0.02 -0.37 1.10 -1.10 -0.55 0.00 0.00 176.35 175.46 1b5l s GLN 49 N -1.12 2.27 0.37 1.48 -1.52 -1.26 -4.73 119.66 115.16 1b5l s GLN 49 Ca -0.12 1.27 0.05 0.00 -1.95 0.00 0.00 55.36 54.61 1b5l s GLN 49 Cb -0.05 -1.89 0.71 0.00 -0.22 0.00 0.00 33.01 31.55 1b5l s GLN 49 CO 0.03 -1.64 1.99 -0.22 -0.25 0.00 0.00 175.29 175.19 1b5l h LYS 50 N -0.90 0.63 0.00 2.91 3.64 -2.00 0.37 116.57 121.23 1b5l h LYS 50 Ca -0.44 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1b5l h LYS 50 Cb 1.24 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1b5l h LYS 50 CO 0.51 0.48 0.00 -0.40 -2.27 0.00 0.00 179.45 177.77 1b5l n ASP 51 N -4.41 0.00 -0.08 4.20 5.68 -1.26 -2.54 116.55 118.15 1b5l n ASP 51 Ca 0.04 0.22 -0.08 0.00 -0.50 0.00 0.00 54.79 54.47 1b5l n ASP 51 Cb 0.11 -0.38 -0.11 0.00 -1.14 0.00 0.00 41.12 39.59 1b5l n ASP 51 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1b5l n GLN 52 N -1.38 1.42 -0.05 0.11 7.27 0.82 -4.45 117.38 121.12 1b5l n GLN 52 Ca 0.07 0.01 -0.11 0.00 0.07 0.00 0.00 57.00 57.04 1b5l n GLN 52 Cb 0.18 -1.38 -0.04 0.00 2.41 0.00 0.00 30.24 31.40 1b5l n GLN 52 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1b5l h ALA 53 N 0.64 0.24 0.44 1.69 0.00 -0.18 -2.73 119.26 119.36 1b5l h ALA 53 Ca -0.41 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1b5l h ALA 53 Cb 1.89 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1b5l h ALA 53 CO 0.01 -0.18 -0.24 0.35 0.00 0.00 0.00 179.25 179.19 1b5l h PHE 54 N 0.17 -0.62 -0.18 0.00 3.04 -1.74 -1.15 116.94 116.45 1b5l h PHE 54 Ca 0.06 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1b5l h PHE 54 Cb 0.14 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1b5l h PHE 54 CO -0.02 -0.38 0.12 -1.00 -2.02 0.00 0.00 178.31 175.01 1b5l h PRO 55 N -0.63 0.24 -0.33 6.41 0.13 -1.77 -0.32 132.00 135.73 1b5l h PRO 55 Ca -0.05 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.91 1b5l h PRO 55 Cb 0.50 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 1b5l h PRO 55 CO 0.08 0.16 -0.39 0.28 -0.23 0.00 0.00 178.00 177.89 1b5l h VAL 56 N 0.24 1.28 -0.44 1.56 2.07 -1.15 -2.06 116.25 117.75 1b5l h VAL 56 Ca 0.07 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 65.95 1b5l h VAL 56 Cb -0.03 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1b5l h VAL 56 CO -0.01 0.51 -0.01 0.25 0.02 0.00 0.00 177.57 178.33 1b5l h LEU 57 N 0.63 0.78 -0.97 2.57 5.85 -0.89 -1.54 115.31 121.74 1b5l h LEU 57 Ca 0.04 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1b5l h LEU 57 Cb 0.98 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1b5l h LEU 57 CO 0.09 0.90 0.61 0.22 -0.34 0.00 0.00 178.44 179.92 1b5l h TYR 58 N 0.63 1.26 -0.49 1.25 5.03 -1.00 -1.85 116.97 121.79 1b5l h TYR 58 Ca 0.12 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.34 1b5l h TYR 58 Cb 0.51 -0.42 -0.02 0.00 1.55 0.00 0.00 36.73 38.35 1b5l h TYR 58 CO 0.04 0.82 -0.09 0.93 -1.32 0.00 0.00 178.16 178.54 1b5l h GLU 59 N 1.33 0.89 -0.57 1.82 4.39 -1.10 -0.24 114.58 121.10 1b5l h GLU 59 Ca 0.35 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1b5l h GLU 59 Cb -0.09 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1b5l h GLU 59 CO -0.07 0.94 0.30 0.52 -1.16 0.00 0.00 179.01 179.54 1b5l h MET 60 N 0.80 0.80 -0.13 2.33 2.86 -0.92 -1.68 114.93 119.00 1b5l h MET 60 Ca 0.13 -0.10 -0.22 0.00 -2.06 0.00 0.00 59.70 57.46 1b5l h MET 60 Cb 0.61 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.12 1b5l h MET 60 CO 0.04 0.63 -0.79 -0.07 1.06 0.00 0.00 176.91 177.78 1b5l h LEU 61 N 0.77 0.83 -0.28 1.22 3.38 -1.17 -0.87 115.31 119.19 1b5l h LEU 61 Ca 0.20 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1b5l h LEU 61 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1b5l h LEU 61 CO -0.03 1.34 0.10 -0.61 0.09 0.00 0.00 178.44 179.33 1b5l h GLN 62 N 0.47 0.42 -0.71 1.13 5.75 -0.96 0.23 115.11 121.45 1b5l h GLN 62 Ca -0.05 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 1b5l h GLN 62 Cb 1.40 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.86 1b5l h GLN 62 CO 0.16 0.46 0.19 1.96 -2.65 0.00 0.00 178.83 178.95 1b5l h GLN 63 N 0.30 1.11 -0.33 1.69 1.08 -1.37 0.53 115.11 118.12 1b5l h GLN 63 Ca 0.09 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1b5l h GLN 63 Cb 0.21 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1b5l h GLN 63 CO -0.01 0.97 0.18 0.77 -0.95 0.00 0.00 178.83 179.80 1b5l h SER 64 N 1.06 0.40 -0.38 1.46 0.02 -0.64 -0.97 113.55 114.51 1b5l h SER 64 Ca 0.23 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1b5l h SER 64 Cb 0.34 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1b5l h SER 64 CO -0.00 0.36 0.20 0.15 -1.14 0.00 0.00 176.83 176.40 1b5l h PHE 65 N 0.41 0.52 -0.71 3.45 3.57 -0.23 -1.92 116.94 122.03 1b5l h PHE 65 Ca 0.12 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1b5l h PHE 65 Cb 0.04 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1b5l h PHE 65 CO -0.03 0.42 0.44 -0.91 -2.23 0.00 0.00 178.31 175.99 1b5l h ASN 66 N 0.48 0.71 -0.31 0.41 -0.26 -0.54 0.70 115.58 116.77 1b5l h ASN 66 Ca 0.13 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1b5l h ASN 66 Cb 0.07 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1b5l h ASN 66 CO -0.02 0.48 0.15 0.25 -1.06 0.00 0.00 177.43 177.23 1b5l h LEU 67 N 0.85 0.40 -0.88 1.61 5.85 -1.00 -0.67 115.31 121.47 1b5l h LEU 67 Ca 0.29 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1b5l h LEU 67 Cb 0.06 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1b5l h LEU 67 CO -0.13 0.41 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.84 1b5l h PHE 68 N 0.37 0.00 -0.30 1.25 0.04 -0.98 -0.25 116.94 117.07 1b5l h PHE 68 Ca 0.11 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.75 1b5l h PHE 68 Cb 0.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1b5l h PHE 68 CO -0.02 0.29 -0.31 -0.92 -0.60 0.00 0.00 178.31 176.75 1b5l h TYR 69 N 0.00 0.89 -0.38 -0.55 3.20 -0.61 0.48 116.97 119.99 1b5l h TYR 69 Ca -0.00 -0.27 -0.09 0.00 3.14 0.00 0.00 58.73 61.50 1b5l h TYR 69 Cb 0.88 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1b5l h TYR 69 CO 0.00 1.03 -0.15 1.15 -1.64 0.00 0.00 178.16 178.55 1b5l h THR 70 N 0.49 1.26 -0.45 1.81 2.02 -0.79 0.13 112.91 117.39 1b5l h THR 70 Ca 0.05 -1.19 -0.10 0.00 0.77 0.00 0.00 66.41 65.94 1b5l h THR 70 Cb 0.88 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1b5l h THR 70 CO 0.08 0.40 -0.11 -0.08 0.37 0.00 0.00 175.52 176.17 1b5l h GLU 71 N 0.63 0.88 -0.56 6.66 4.81 -0.81 -2.89 114.58 123.30 1b5l h GLU 71 Ca 0.10 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1b5l h GLU 71 Cb 0.61 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1b5l h GLU 71 CO 0.04 0.98 0.31 1.25 -0.73 0.00 0.00 179.01 180.86 1b5l h HIS 72 N 0.72 0.76 0.00 0.92 2.76 -0.52 0.60 115.15 120.38 1b5l h HIS 72 Ca 0.11 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1b5l h HIS 72 Cb 0.66 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.38 1b5l h HIS 72 CO 0.05 0.55 0.27 0.77 -1.30 0.00 0.00 177.93 178.26 1b5l h SER 73 N 0.75 0.00 0.00 3.26 0.02 -0.53 -2.61 113.55 114.44 1b5l h SER 73 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1b5l h SER 73 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1b5l h SER 73 CO -0.03 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.12 1b5l n SER 74 N -2.51 0.36 -3.27 3.07 3.41 -0.64 -5.08 113.62 108.95 1b5l n SER 74 Ca -0.02 -1.08 -0.22 0.00 -0.26 0.00 0.00 58.87 57.30 1b5l n SER 74 Cb 0.30 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.43 1b5l n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b5l n ALA 75 N -0.04 -2.43 -1.17 7.33 0.00 0.20 -4.99 120.51 119.41 1b5l n ALA 75 Ca 0.00 -1.19 -0.33 0.00 0.00 0.00 0.00 53.44 51.92 1b5l n ALA 75 Cb 0.25 -0.08 0.11 0.00 0.00 0.00 0.00 19.45 19.73 1b5l n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b5l s ALA 76 N -3.06 1.95 0.56 0.00 0.00 -1.26 -4.92 121.76 115.02 1b5l s ALA 76 Ca 0.52 0.76 0.27 0.00 0.00 0.00 0.00 51.96 53.50 1b5l s ALA 76 Cb -0.05 -3.45 1.47 0.00 0.00 0.00 0.00 23.12 21.09 1b5l s ALA 76 CO 0.40 -2.12 2.00 -1.49 0.00 0.00 0.00 175.76 174.54 1b5l h TRP 77 N -0.80 0.00 -1.54 0.00 4.06 -1.97 -3.18 115.95 112.51 1b5l h TRP 77 Ca -0.46 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.01 1b5l h TRP 77 Cb 1.28 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 29.04 1b5l h TRP 77 CO 0.49 0.00 -0.99 -3.47 -3.56 0.00 0.00 178.44 170.91 1b5l n ASP 78 N -4.11 2.67 -4.44 -3.49 2.03 -1.26 -4.99 116.55 102.95 1b5l n ASP 78 Ca 0.08 -3.20 -0.44 0.00 0.52 0.00 0.00 54.79 51.75 1b5l n ASP 78 Cb 0.57 -0.53 -0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1b5l n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1b5l s THR 79 N -3.84 4.93 0.48 5.18 2.01 -1.20 -4.82 115.64 118.37 1b5l s THR 79 Ca 0.39 -2.04 0.23 0.00 0.31 0.00 0.00 61.69 60.58 1b5l s THR 79 Cb 0.39 -4.79 0.27 0.00 0.01 0.00 0.00 72.50 68.39 1b5l s THR 79 CO -0.07 -1.50 2.10 0.74 -0.69 0.00 0.00 174.62 175.20 1b5l h THR 80 N 5.31 0.75 -0.22 -0.82 2.02 -1.94 -2.68 112.91 115.34 1b5l h THR 80 Ca 0.20 -0.39 -0.19 0.00 0.77 0.00 0.00 66.41 66.81 1b5l h THR 80 Cb 0.97 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1b5l h THR 80 CO 1.12 0.10 -0.62 -0.07 0.37 0.00 0.00 175.52 176.42 1b5l h LEU 81 N 0.00 0.86 -0.72 2.58 3.38 -1.97 -1.77 115.31 117.68 1b5l h LEU 81 Ca -0.00 -0.49 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 1b5l h LEU 81 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1b5l h LEU 81 CO 0.01 1.27 -0.22 0.25 0.09 0.00 0.00 178.44 179.85 1b5l h LEU 82 N 0.56 0.76 -0.36 1.67 5.85 -1.88 -0.12 115.31 121.79 1b5l h LEU 82 Ca -0.01 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1b5l h LEU 82 Cb 1.22 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1b5l h LEU 82 CO 0.13 0.96 0.06 -0.08 -0.34 0.00 0.00 178.44 179.18 1b5l h GLU 83 N 0.66 0.60 -0.55 1.25 4.81 -1.30 -1.68 114.58 118.37 1b5l h GLU 83 Ca 0.09 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1b5l h GLU 83 Cb 0.72 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1b5l h GLU 83 CO 0.06 0.66 0.15 1.96 -0.73 0.00 0.00 179.01 181.11 1b5l h GLN 84 N 0.44 0.83 -0.32 1.92 4.20 -1.08 -0.28 115.11 120.82 1b5l h GLN 84 Ca 0.11 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1b5l h GLN 84 Cb 0.35 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1b5l h GLN 84 CO 0.01 0.73 0.04 1.25 -0.67 0.00 0.00 178.83 180.19 1b5l h LEU 85 N 0.81 0.52 -0.01 1.46 5.85 -0.78 0.38 115.31 123.53 1b5l h LEU 85 Ca 0.18 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1b5l h LEU 85 Cb 0.26 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1b5l h LEU 85 CO -0.01 0.66 0.01 0.00 -0.34 0.00 0.00 178.44 178.76 1b5l h THR 87 N 0.01 1.00 -0.09 0.00 2.02 -0.90 -0.15 112.91 114.81 1b5l h THR 87 Ca 0.00 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 1b5l h THR 87 Cb -0.00 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1b5l h THR 87 CO -0.00 0.13 -0.37 1.23 0.37 0.00 0.00 175.52 176.88 1b5l h GLY 88 N 0.71 0.19 1.30 2.16 0.00 0.15 -1.49 103.07 106.09 1b5l h GLY 88 Ca 0.28 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 47.21 1b5l h GLY 88 CO -0.16 0.15 -0.92 1.41 0.00 0.00 0.00 176.54 177.02 1b5l h LEU 89 N 0.15 0.82 -0.59 3.11 3.38 0.01 -1.96 115.31 120.23 1b5l h LEU 89 Ca 0.02 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 1b5l h LEU 89 Cb 0.72 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1b5l h LEU 89 CO 0.05 1.40 0.29 -0.61 0.09 0.00 0.00 178.44 179.67 1b5l h GLN 90 N 0.40 0.83 -0.44 1.13 5.75 -0.94 -1.17 115.11 120.67 1b5l h GLN 90 Ca -0.09 -0.11 0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1b5l h GLN 90 Cb 1.56 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.92 1b5l h GLN 90 CO 0.18 0.66 0.23 0.37 -2.65 0.00 0.00 178.83 177.62 1b5l h GLN 91 N 0.79 0.45 -0.84 1.69 4.15 -1.20 0.11 115.11 120.27 1b5l h GLN 91 Ca 0.20 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1b5l h GLN 91 Cb 0.09 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 1b5l h GLN 91 CO -0.03 0.30 0.51 0.37 -1.93 0.00 0.00 178.83 178.05 1b5l h GLN 92 N 0.46 1.13 -0.41 1.69 4.15 -0.87 -0.50 115.11 120.76 1b5l h GLN 92 Ca 0.19 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 1b5l h GLN 92 Cb 0.08 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1b5l h GLN 92 CO -0.12 0.79 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.45 1b5l h LEU 93 N 1.15 0.75 -0.77 -2.39 3.38 -0.66 -1.02 115.31 115.75 1b5l h LEU 93 Ca 0.30 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1b5l h LEU 93 Cb -0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1b5l h LEU 93 CO -0.06 0.90 0.41 0.44 0.09 0.00 0.00 178.44 180.23 1b5l h ASP 94 N 0.57 0.97 -0.42 -0.43 3.32 -0.34 -0.75 116.42 119.34 1b5l h ASP 94 Ca 0.11 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1b5l h ASP 94 Cb 0.55 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1b5l h ASP 94 CO 0.03 0.79 0.09 0.45 -1.72 0.00 0.00 179.24 178.88 1b5l h HIS 95 N 1.06 0.73 -0.89 4.55 3.86 -0.92 -1.53 115.15 122.01 1b5l h HIS 95 Ca 0.27 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 1b5l h HIS 95 Cb 0.05 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.26 1b5l h HIS 95 CO 0.00 0.69 0.58 -0.07 0.86 0.00 0.00 177.93 179.99 1b5l h LEU 96 N 0.55 0.97 -0.96 2.43 3.38 -0.84 -2.07 115.31 118.78 1b5l h LEU 96 Ca 0.13 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1b5l h LEU 96 Cb 0.34 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1b5l h LEU 96 CO 0.00 0.67 0.13 0.44 0.09 0.00 0.00 178.44 179.78 1b5l h ASP 97 N 1.14 0.83 -0.48 -0.43 3.32 -0.86 -1.88 116.42 118.05 1b5l h ASP 97 Ca 0.35 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1b5l h ASP 97 Cb -0.03 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1b5l h ASP 97 CO -0.11 0.82 0.27 0.74 -1.72 0.00 0.00 179.24 179.24 1b5l h THR 98 N 0.85 1.16 0.00 0.35 2.02 -0.68 0.04 112.91 116.65 1b5l h THR 98 Ca 0.18 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1b5l h THR 98 Cb 0.32 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1b5l h THR 98 CO 0.00 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1b5l s ARG 100 N -3.48 0.15 0.00 0.00 0.52 0.00 -5.01 118.95 111.13 1b5l s ARG 100 Ca 0.02 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 1b5l s ARG 100 Cb 0.09 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.80 1b5l s ARG 100 CO 0.43 -2.79 0.00 0.41 0.02 0.00 0.00 175.30 173.37 1b5l n GLY 101 N -2.43 0.00 0.00 -3.53 0.00 -1.26 -5.05 105.19 92.91 1b5l n GLY 101 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1b5l n GLY 101 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1b5l n MET 114 N -1.51 2.06 0.28 1.61 1.56 -1.26 -5.18 117.12 114.67 1b5l n MET 114 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.26 1b5l n MET 114 Cb 0.12 -0.27 -0.09 0.00 2.15 0.00 0.00 33.22 35.13 1b5l n MET 114 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 1b5l h ASP 115 N 0.00 -1.20 -0.66 6.12 5.19 -2.04 0.62 116.42 124.45 1b5l h ASP 115 Ca 0.00 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.52 1b5l h ASP 115 Cb 0.00 0.39 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 1b5l h ASP 115 CO 0.00 -0.61 0.44 1.55 -3.12 0.00 0.00 179.24 177.50 1b5l h PRO 116 N -0.91 0.84 -0.32 3.56 0.13 -1.99 0.06 132.00 133.37 1b5l h PRO 116 Ca -0.05 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.96 1b5l h PRO 116 Cb 0.80 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 1b5l h PRO 116 CO -0.05 0.55 -0.11 0.82 -0.23 0.00 0.00 178.00 178.98 1b5l h ILE 117 N 0.86 1.23 -0.16 -3.56 2.04 -1.84 -2.07 117.51 114.02 1b5l h ILE 117 Ca 0.25 -1.03 -0.15 0.00 1.00 0.00 0.00 64.86 64.93 1b5l h ILE 117 Cb -0.05 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1b5l h ILE 117 CO -0.06 0.34 -0.54 0.58 0.00 0.00 0.00 178.15 178.47 1b5l h VAL 118 N 0.51 1.33 0.00 1.67 2.07 0.14 -2.32 116.25 119.65 1b5l h VAL 118 Ca 0.09 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 65.78 1b5l h VAL 118 Cb 0.50 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1b5l h VAL 118 CO 0.03 0.55 -0.19 0.74 0.02 0.00 0.00 177.57 178.72 1b5l h THR 119 N 0.37 0.87 0.06 2.57 2.02 -0.37 -0.82 112.91 117.60 1b5l h THR 119 Ca 0.01 -0.74 -0.11 0.00 0.77 0.00 0.00 66.41 66.35 1b5l h THR 119 Cb 1.06 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1b5l h THR 119 CO 0.10 0.19 -0.45 0.58 0.37 0.00 0.00 175.52 176.30 1b5l h VAL 120 N 0.00 1.58 -0.77 3.16 2.07 -1.18 -2.62 116.25 118.50 1b5l h VAL 120 Ca -0.00 -2.29 0.07 0.00 0.82 0.00 0.00 66.70 65.30 1b5l h VAL 120 Cb 0.41 3.07 -0.05 0.00 -1.52 0.00 0.00 31.29 33.20 1b5l h VAL 120 CO 0.03 0.63 0.50 0.11 0.02 0.00 0.00 177.57 178.86 1b5l h LYS 121 N -0.52 0.78 -0.22 1.57 1.57 -1.13 -0.43 116.57 118.20 1b5l h LYS 121 Ca -0.07 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.49 1b5l h LYS 121 Cb 1.29 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1b5l h LYS 121 CO 0.09 0.52 -0.54 0.87 -0.57 0.00 0.00 179.45 179.81 1b5l h LYS 122 N 0.81 0.65 -0.08 3.15 1.57 -1.18 -0.70 116.57 120.78 1b5l h LYS 122 Ca 0.33 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1b5l h LYS 122 Cb 0.27 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1b5l h LYS 122 CO -0.12 1.02 0.05 -0.92 -0.57 0.00 0.00 179.45 178.91 1b5l h TYR 123 N 0.50 0.11 0.00 -1.35 3.20 -0.88 -1.58 116.97 116.97 1b5l h TYR 123 Ca 0.01 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 1b5l h TYR 123 Cb 1.10 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1b5l h TYR 123 CO 0.05 0.12 -0.42 0.74 -1.64 0.00 0.00 178.16 177.01 1b5l h PHE 124 N 0.07 0.00 -0.25 -3.82 0.04 -1.04 -2.55 116.94 109.38 1b5l h PHE 124 Ca 0.03 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 1b5l h PHE 124 Cb 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1b5l h PHE 124 CO -0.06 0.42 -0.17 1.96 -0.60 0.00 0.00 178.31 179.87 1b5l h GLN 125 N 0.00 0.44 0.00 1.51 1.08 -0.74 -1.01 115.11 116.39 1b5l h GLN 125 Ca -0.00 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1b5l h GLN 125 Cb 0.74 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1b5l h GLN 125 CO 0.05 0.60 -0.09 0.78 -0.95 0.00 0.00 178.83 179.22 1b5l h GLY 126 N 0.94 0.00 0.23 3.46 0.00 -0.88 -0.76 103.07 106.05 1b5l h GLY 126 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1b5l h GLY 126 CO 0.03 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.33 1b5l h ILE 127 N 0.00 1.31 -0.64 2.60 2.04 -1.04 -2.43 117.51 119.34 1b5l h ILE 127 Ca -0.00 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1b5l h ILE 127 Cb 0.50 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1b5l h ILE 127 CO 0.01 0.38 0.40 1.88 0.00 0.00 0.00 178.15 180.82 1b5l h TYR 128 N -0.83 0.83 -0.94 1.37 0.05 -1.22 -0.23 116.97 116.00 1b5l h TYR 128 Ca -0.01 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1b5l h TYR 128 Cb 0.67 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 38.09 1b5l h TYR 128 CO 0.16 0.55 0.62 -0.44 -1.05 0.00 0.00 178.16 178.00 1b5l h ASP 129 N 0.87 1.09 -0.52 3.88 3.32 -1.24 0.89 116.42 124.72 1b5l h ASP 129 Ca 0.23 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1b5l h ASP 129 Cb -0.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 1b5l h ASP 129 CO -0.05 0.80 0.20 0.22 -1.72 0.00 0.00 179.24 178.70 1b5l h TYR 130 N 1.28 0.80 -0.48 4.55 3.20 -0.90 0.20 116.97 125.62 1b5l h TYR 130 Ca 0.34 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 1b5l h TYR 130 Cb -0.13 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 1b5l h TYR 130 CO -0.00 0.66 0.03 -0.07 -1.64 0.00 0.00 178.16 177.14 1b5l h LEU 131 N 0.70 0.80 -0.44 2.82 3.38 0.10 -2.43 115.31 120.25 1b5l h LEU 131 Ca 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1b5l h LEU 131 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1b5l h LEU 131 CO -0.01 0.89 0.23 1.56 0.09 0.00 0.00 178.44 181.20 1b5l h GLN 132 N 0.69 0.62 0.00 1.13 4.20 0.11 0.18 115.11 122.04 1b5l h GLN 132 Ca 0.14 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1b5l h GLN 132 Cb 0.46 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1b5l h GLN 132 CO 0.02 0.51 0.00 1.05 -0.67 0.00 0.00 178.83 179.74 1b5l h GLU 133 N 0.57 0.00 -0.48 1.46 4.11 -0.55 -1.91 114.58 117.77 1b5l h GLU 133 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1b5l h GLU 133 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1b5l h GLU 133 CO -0.02 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.69 1b5l n LYS 134 N -2.62 2.55 -2.83 1.06 4.76 -0.92 -4.97 118.16 115.19 1b5l n LYS 134 Ca 0.01 -2.29 -0.22 0.00 -2.87 0.00 0.00 58.31 52.94 1b5l n LYS 134 Cb 0.26 -1.45 0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1b5l n LYS 134 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b5l n GLY 135 N 1.25 -0.52 3.40 0.72 0.00 -0.72 -2.96 105.19 106.36 1b5l n GLY 135 Ca 0.18 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 1b5l n GLY 135 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b5l n TYR 136 N -4.32 -1.88 -0.70 1.61 4.02 0.57 -4.94 117.16 111.52 1b5l n TYR 136 Ca -0.15 0.54 -0.30 0.00 -0.01 0.00 0.00 57.90 57.98 1b5l n TYR 136 Cb 0.64 -3.33 0.18 0.00 -0.02 0.00 0.00 39.34 36.81 1b5l n TYR 136 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1b5l s SER 137 N -2.81 2.56 0.23 7.72 1.04 -1.16 -4.80 113.70 116.48 1b5l s SER 137 Ca 0.43 2.01 -0.07 0.00 0.48 0.00 0.00 55.95 58.80 1b5l s SER 137 Cb -0.22 -2.50 0.32 0.00 0.10 0.00 0.00 66.02 63.72 1b5l s SER 137 CO 0.53 -3.30 1.81 0.44 0.98 0.00 0.00 173.24 173.69 1b5l h ASP 138 N -2.01 0.60 0.96 7.02 5.19 -1.93 -1.79 116.42 124.46 1b5l h ASP 138 Ca -0.47 0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 55.81 1b5l h ASP 138 Cb 1.28 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 1b5l h ASP 138 CO 0.44 0.37 -0.77 0.00 -3.12 0.00 0.00 179.24 176.16 1b5l h ALA 140 N 1.23 1.15 -0.41 0.00 0.00 -1.77 -1.86 119.26 117.59 1b5l h ALA 140 Ca -0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1b5l h ALA 140 Cb 1.46 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1b5l h ALA 140 CO 0.10 0.59 -0.26 -1.49 0.00 0.00 0.00 179.25 178.19 1b5l h TRP 141 N 1.24 1.06 -0.73 0.00 4.06 -1.10 -2.08 115.95 118.39 1b5l h TRP 141 Ca 0.33 -0.28 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 1b5l h TRP 141 Cb -0.08 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 27.81 1b5l h TRP 141 CO -0.00 1.08 0.37 1.49 -3.56 0.00 0.00 178.44 177.83 1b5l h GLU 142 N 0.73 1.04 -0.44 0.49 4.57 -1.09 -0.88 114.58 119.00 1b5l h GLU 142 Ca 0.08 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1b5l h GLU 142 Cb 0.84 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1b5l h GLU 142 CO 0.07 0.80 0.18 0.82 -1.18 0.00 0.00 179.01 179.71 1b5l h ILE 143 N 1.02 1.20 -0.48 2.32 5.03 -1.27 -2.17 117.51 123.15 1b5l h ILE 143 Ca 0.26 -0.60 -0.06 0.00 -0.12 0.00 0.00 64.86 64.33 1b5l h ILE 143 Cb 0.08 0.78 -0.02 0.00 -3.03 0.00 0.00 36.82 34.63 1b5l h ILE 143 CO -0.04 0.22 0.04 0.58 -0.68 0.00 0.00 178.15 178.27 1b5l h VAL 144 N 0.57 1.23 0.00 1.67 2.07 -1.10 -2.15 116.25 118.54 1b5l h VAL 144 Ca 0.15 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.65 1b5l h VAL 144 Cb 0.18 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1b5l h VAL 144 CO -0.01 0.33 -0.41 0.03 0.02 0.00 0.00 177.57 177.53 1b5l h ARG 145 N 0.74 0.00 0.00 1.57 3.08 -0.83 0.24 114.38 119.18 1b5l h ARG 145 Ca 0.15 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.97 1b5l h ARG 145 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1b5l h ARG 145 CO 0.01 0.41 -0.96 0.28 -1.07 0.00 0.00 179.97 178.65 1b5l h VAL 146 N 0.00 1.39 -0.41 2.04 2.07 -1.16 -2.42 116.25 117.75 1b5l h VAL 146 Ca -0.00 -2.43 -0.09 0.00 0.82 0.00 0.00 66.70 65.00 1b5l h VAL 146 Cb 0.75 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1b5l h VAL 146 CO 0.05 0.73 -0.10 -0.08 0.02 0.00 0.00 177.57 178.19 1b5l h GLU 147 N 0.25 0.73 0.00 1.57 4.57 -0.95 -2.06 114.58 118.69 1b5l h GLU 147 Ca -0.09 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 1b5l h GLU 147 Cb 1.60 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 30.12 1b5l h GLU 147 CO 0.17 0.81 -0.14 0.52 -1.18 0.00 0.00 179.01 179.19 1b5l h MET 148 N 0.67 0.00 -0.54 1.92 2.86 -0.33 0.29 114.93 119.80 1b5l h MET 148 Ca 0.12 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1b5l h MET 148 Cb 0.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1b5l h MET 148 CO 0.03 0.14 0.09 0.52 1.06 0.00 0.00 176.91 178.75 1b5l h MET 149 N 0.00 0.85 -0.09 1.72 2.86 -0.87 0.23 114.93 119.63 1b5l h MET 149 Ca -0.00 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1b5l h MET 149 Cb 0.31 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1b5l h MET 149 CO 0.02 0.79 -0.06 0.00 1.06 0.00 0.00 176.91 178.73 1b5l h ARG 150 N 0.81 0.19 -0.89 1.72 3.08 -0.94 -1.27 114.38 117.07 1b5l h ARG 150 Ca 0.17 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1b5l h ARG 150 Cb 0.36 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1b5l h ARG 150 CO 0.01 0.58 0.48 0.00 -1.07 0.00 0.00 179.97 179.96 1b5l h ALA 151 N 0.61 1.14 0.00 0.04 0.00 -1.06 -1.85 119.26 118.15 1b5l h ALA 151 Ca 0.02 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1b5l h ALA 151 Cb 0.53 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1b5l h ALA 151 CO 0.02 0.66 -0.71 -0.07 0.00 0.00 0.00 179.25 179.15 1b5l h LEU 152 N 1.25 0.00 -0.20 0.00 3.38 -0.98 -2.19 115.31 116.57 1b5l h LEU 152 Ca 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 1b5l h LEU 152 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1b5l h LEU 152 CO -0.05 0.71 -0.02 0.74 0.09 0.00 0.00 178.44 179.91 1b5l h THR 153 N 0.00 1.27 -0.43 0.22 2.02 -0.80 -2.20 112.91 112.99 1b5l h THR 153 Ca -0.01 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.13 1b5l h THR 153 Cb 1.27 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 1b5l h THR 153 CO 0.09 0.29 -0.08 -0.37 0.37 0.00 0.00 175.52 175.82 1b5l h VAL 154 N 0.12 1.25 0.00 3.16 -1.51 -1.29 -1.78 116.25 116.20 1b5l h VAL 154 Ca 0.05 -1.10 -0.04 0.00 -1.23 0.00 0.00 66.70 64.38 1b5l h VAL 154 Cb 0.45 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 1b5l h VAL 154 CO 0.02 0.38 -0.19 0.77 -1.23 0.00 0.00 177.57 177.31 1b5l h SER 155 N 0.68 0.00 0.18 4.19 4.64 -1.40 -2.03 113.55 119.81 1b5l h SER 155 Ca 0.12 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.22 1b5l h SER 155 Cb 0.54 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1b5l h SER 155 CO 0.03 0.19 -0.89 0.74 -0.87 0.00 0.00 176.83 176.04 1b5l h THR 156 N 0.00 1.35 -0.37 2.95 2.02 -0.67 -1.52 112.91 116.68 1b5l h THR 156 Ca -0.00 -2.27 -0.09 0.00 0.77 0.00 0.00 66.41 64.82 1b5l h THR 156 Cb 0.64 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 1b5l h THR 156 CO 0.02 0.69 -0.14 0.74 0.37 0.00 0.00 175.52 177.20 1b5l h THR 157 N 0.32 1.25 -0.19 3.16 2.02 -1.25 -1.12 112.91 117.11 1b5l h THR 157 Ca -0.07 -1.15 -0.07 0.00 0.77 0.00 0.00 66.41 65.88 1b5l h THR 157 Cb 1.51 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1b5l h THR 157 CO 0.16 0.39 -0.15 0.25 0.37 0.00 0.00 175.52 176.54 1b5l h LEU 158 N 0.59 0.45 -1.44 2.58 5.85 -1.30 -2.83 115.31 119.22 1b5l h LEU 158 Ca 0.10 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.43 1b5l h LEU 158 Cb 0.58 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1b5l h LEU 158 CO 0.04 0.81 0.44 -0.61 -0.34 0.00 0.00 178.44 178.78 1b5l h GLN 159 N 0.10 0.67 -0.03 1.25 4.15 -0.89 -1.31 115.11 119.04 1b5l h GLN 159 Ca 0.04 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1b5l h GLN 159 Cb 0.67 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1b5l h GLN 159 CO 0.04 0.44 -0.06 -0.22 -1.93 0.00 0.00 178.83 177.10 1b5l h LYS 160 N 0.69 -0.08 -0.86 1.69 3.64 -1.04 -0.69 116.57 119.93 1b5l h LYS 160 Ca 0.28 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.78 1b5l h LYS 160 Cb 0.24 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.99 1b5l h LYS 160 CO -0.09 -0.05 0.48 0.00 -2.27 0.00 0.00 179.45 177.52 1b5l h ARG 161 N -0.08 0.74 -0.04 1.90 3.08 -1.02 1.32 114.38 120.27 1b5l h ARG 161 Ca 0.03 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1b5l h ARG 161 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1b5l h ARG 161 CO -0.08 0.49 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.90 1b5l h LEU 162 N 0.76 0.07 0.00 3.04 3.38 -1.02 -3.32 115.31 118.22 1b5l h LEU 162 Ca 0.44 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1b5l h LEU 162 Cb 0.49 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1b5l h LEU 162 CO -0.29 0.41 -0.00 0.74 0.09 0.00 0.00 178.44 179.39 1b5l h THR 163 N 0.06 0.00 0.00 0.22 2.02 0.95 -3.48 112.91 112.68 1b5l h THR 163 Ca 0.01 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1b5l h THR 163 Cb 0.63 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1b5l h THR 163 CO 0.05 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.23