#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbg s LYS 2 N 0.00 0.37 1.29 -4.13 2.47 -1.26 -5.17 119.74 113.31 1cbg s LYS 2 Ca 0.00 0.91 -0.20 0.00 -1.56 0.00 0.00 55.97 55.12 1cbg s LYS 2 Cb 0.00 0.13 0.30 0.00 -1.46 0.00 0.00 37.83 36.81 1cbg s LYS 2 CO 0.00 -0.20 0.68 -0.35 0.16 0.00 0.00 175.35 175.65 1cbg n PRO 3 N 4.75 -3.81 -4.21 4.03 -0.04 -1.26 -5.01 135.00 129.45 1cbg n PRO 3 Ca -0.17 -1.13 -0.34 0.00 -0.04 0.00 0.00 63.50 61.82 1cbg n PRO 3 Cb 0.53 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 32.12 1cbg n PRO 3 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cbg s LEU 4 N -4.86 3.54 -1.16 1.53 1.43 -1.26 -5.05 118.68 112.85 1cbg s LEU 4 Ca 0.55 -0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 53.42 1cbg s LEU 4 Cb -0.11 -1.87 -0.10 0.00 0.03 0.00 0.00 46.19 44.14 1cbg s LEU 4 CO 0.48 0.19 1.94 -0.81 0.23 0.00 0.00 176.35 178.38 1cbg n PRO 5 N 3.42 1.53 0.00 1.29 -0.04 -1.26 -4.47 135.00 135.47 1cbg n PRO 5 Ca -0.17 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1cbg n PRO 5 Cb 0.52 -3.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 1cbg n PRO 5 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1cbg n ILE 6 N 7.79 0.00 0.00 0.52 5.41 -1.26 -5.09 119.36 126.72 1cbg n ILE 6 Ca 0.45 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.20 1cbg n ILE 6 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 1cbg n ILE 6 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1cbg n SER 7 N 0.00 0.00 -2.04 4.38 2.88 -1.26 -4.70 113.62 112.88 1cbg n SER 7 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cbg n SER 7 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cbg n SER 7 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1cbg n PHE 8 N 0.00 0.00 0.23 0.66 3.72 -1.26 -4.47 117.46 116.34 1cbg n PHE 8 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1cbg n PHE 8 Cb 0.00 -0.13 0.33 0.00 -0.94 0.00 0.00 39.48 38.74 1cbg n PHE 8 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1cbg h ASP 9 N 2.56 0.00 -4.74 4.37 3.32 -1.99 -3.44 116.42 116.50 1cbg h ASP 9 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1cbg h ASP 9 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.38 1cbg h ASP 9 CO 0.00 0.09 -0.70 -0.62 -1.72 0.00 0.00 179.24 176.29 1cbg s ASP 10 N -6.10 0.95 0.33 6.45 -1.08 -1.26 -5.05 116.67 110.91 1cbg s ASP 10 Ca 0.04 -0.88 0.05 0.00 -0.52 0.00 0.00 52.55 51.24 1cbg s ASP 10 Cb 0.07 0.09 0.58 0.00 -1.46 0.00 0.00 42.92 42.20 1cbg s ASP 10 CO 0.64 -0.41 1.83 0.15 0.52 0.00 0.00 175.17 177.90 1cbg h PHE 11 N 3.42 0.48 0.00 -5.34 3.57 -1.99 -2.91 116.94 114.17 1cbg h PHE 11 Ca -0.35 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1cbg h PHE 11 Cb 1.17 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1cbg h PHE 11 CO 0.60 0.55 0.00 -1.13 -2.23 0.00 0.00 178.31 176.10 1cbg n SER 12 N -4.23 0.00 0.21 0.41 3.41 -1.26 -3.68 113.62 108.48 1cbg n SER 12 Ca 0.00 -0.87 0.09 0.00 -0.26 0.00 0.00 58.87 57.84 1cbg n SER 12 Cb 0.30 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.59 1cbg n SER 12 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1cbg h ASP 13 N 0.00 0.00 -3.35 4.04 3.32 -1.92 -3.39 116.42 115.12 1cbg h ASP 13 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 1cbg h ASP 13 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1cbg h ASP 13 CO 0.00 0.23 -0.16 -0.22 -1.72 0.00 0.00 179.24 177.37 1cbg s LEU 14 N -6.55 5.17 0.35 1.55 2.96 -1.24 -4.91 118.68 116.00 1cbg s LEU 14 Ca 0.02 -1.00 -0.05 0.00 -0.22 0.00 0.00 54.13 52.89 1cbg s LEU 14 Cb 0.09 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1cbg s LEU 14 CO 0.66 -0.72 0.53 0.54 -1.32 0.00 0.00 176.35 176.03 1cbg s ASN 15 N 2.42 0.73 0.45 3.68 2.20 -1.26 -4.88 114.94 118.27 1cbg s ASN 15 Ca 0.10 -1.41 0.31 0.00 -0.94 0.00 0.00 52.86 50.92 1cbg s ASN 15 Cb -0.20 0.69 1.63 0.00 -2.00 0.00 0.00 41.25 41.37 1cbg s ASN 15 CO 0.10 -1.36 1.93 0.08 -2.94 0.00 0.00 177.10 174.92 1cbg h ARG 16 N 2.10 0.00 0.00 3.55 0.11 -1.67 -2.21 114.38 116.26 1cbg h ARG 16 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1cbg h ARG 16 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1cbg h ARG 16 CO 0.39 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 179.33 1cbg n SER 17 N -2.59 0.75 0.17 0.08 3.41 -1.26 -2.64 113.62 111.54 1cbg n SER 17 Ca -0.02 0.62 0.04 0.00 -0.26 0.00 0.00 58.87 59.25 1cbg n SER 17 Cb 0.07 -0.81 0.28 0.00 -0.26 0.00 0.00 64.21 63.49 1cbg n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cbg s PHE 19 N -3.57 3.49 0.66 0.00 0.40 -1.08 -5.07 117.98 112.80 1cbg s PHE 19 Ca -0.00 0.29 -0.18 0.00 -0.60 0.00 0.00 56.93 56.44 1cbg s PHE 19 Cb 0.11 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 1cbg s PHE 19 CO 0.71 0.24 1.22 0.00 0.70 0.00 0.00 175.22 178.09 1cbg n ALA 20 N -1.43 0.87 0.17 5.36 0.00 -1.26 -4.88 120.51 119.33 1cbg n ALA 20 Ca -0.05 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.51 1cbg n ALA 20 Cb 0.56 -2.28 0.75 0.00 0.00 0.00 0.00 19.45 18.47 1cbg n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1cbg h PRO 21 N 0.38 0.00 -0.00 0.00 0.11 -1.93 -1.51 132.00 129.04 1cbg h PRO 21 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1cbg h PRO 21 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1cbg h PRO 21 CO 0.52 0.00 -0.27 0.41 -0.21 0.00 0.00 178.00 178.45 1cbg n GLY 22 N -1.50 -0.93 3.75 -0.55 0.00 -1.26 -4.96 105.19 99.74 1cbg n GLY 22 Ca 0.02 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1cbg n GLY 22 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1cbg n PHE 23 N -1.02 2.82 -3.62 1.61 7.35 -0.57 -4.99 117.46 119.04 1cbg n PHE 23 Ca 0.10 0.40 -0.36 0.00 -0.76 0.00 0.00 57.45 56.83 1cbg n PHE 23 Cb 0.33 -2.53 -0.08 0.00 0.35 0.00 0.00 39.48 37.54 1cbg n PHE 23 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1cbg s VAL 24 N -0.72 5.34 -0.15 -2.13 1.01 -0.81 -5.00 120.40 117.94 1cbg s VAL 24 Ca 0.58 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1cbg s VAL 24 Cb -0.50 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 1cbg s VAL 24 CO 0.58 0.36 -0.15 -0.36 0.00 0.00 0.00 175.10 175.53 1cbg s PHE 25 N 0.81 2.78 0.00 5.22 0.08 -1.26 -1.06 117.98 124.55 1cbg s PHE 25 Ca 0.11 -1.04 0.00 0.00 0.12 0.00 0.00 56.93 56.12 1cbg s PHE 25 Cb -0.13 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1cbg s PHE 25 CO 0.03 -0.47 0.00 0.41 -0.10 0.00 0.00 175.22 175.09 1cbg n GLY 26 N 4.05 3.46 3.15 4.36 0.00 -0.65 -0.40 105.19 119.16 1cbg n GLY 26 Ca -0.19 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 1cbg n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cbg s THR 27 N -2.27 0.78 0.20 2.61 -4.23 -1.20 -2.25 115.64 109.28 1cbg s THR 27 Ca 0.00 -1.56 0.09 0.00 -1.18 0.00 0.00 61.69 59.04 1cbg s THR 27 Cb 0.00 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1cbg s THR 27 CO 0.00 -0.58 -0.19 0.00 -0.54 0.00 0.00 174.62 173.31 1cbg s ALA 28 N -2.43 2.23 0.38 3.99 0.00 -0.66 -0.86 121.76 124.41 1cbg s ALA 28 Ca 0.03 -1.62 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 1cbg s ALA 28 Cb -0.03 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.94 1cbg s ALA 28 CO -0.01 0.24 0.74 -1.13 0.00 0.00 0.00 175.76 175.60 1cbg n SER 29 N -0.01 -2.15 -4.10 0.00 3.41 -0.35 -4.30 113.62 106.12 1cbg n SER 29 Ca -0.11 -2.60 -0.08 0.00 -0.26 0.00 0.00 58.87 55.82 1cbg n SER 29 Cb 0.58 3.61 -0.10 0.00 -0.26 0.00 0.00 64.21 68.04 1cbg n SER 29 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1cbg s SER 30 N -3.04 0.62 0.07 4.04 1.04 -1.26 -4.06 113.70 111.11 1cbg s SER 30 Ca 0.17 -0.95 -0.22 0.00 0.48 0.00 0.00 55.95 55.43 1cbg s SER 30 Cb -0.04 0.17 -0.13 0.00 0.10 0.00 0.00 66.02 66.11 1cbg s SER 30 CO 0.13 -0.54 1.59 0.00 0.98 0.00 0.00 173.24 175.40 1cbg h ALA 31 N 3.25 0.11 -0.58 5.32 0.00 -1.90 -2.32 119.26 123.14 1cbg h ALA 31 Ca -0.34 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1cbg h ALA 31 Cb 1.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1cbg h ALA 31 CO 0.63 -0.29 0.11 0.35 0.00 0.00 0.00 179.25 180.05 1cbg h PHE 32 N -0.03 0.96 0.00 0.00 3.57 -1.94 -1.45 116.94 118.05 1cbg h PHE 32 Ca 0.03 -0.11 -0.15 0.00 3.53 0.00 0.00 57.97 61.27 1cbg h PHE 32 Cb 0.18 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1cbg h PHE 32 CO -0.01 0.81 -0.71 1.96 -2.23 0.00 0.00 178.31 178.13 1cbg h GLN 33 N 0.87 0.00 0.00 1.11 4.20 -1.86 -3.42 115.11 116.01 1cbg h GLN 33 Ca 0.18 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 1cbg h GLN 33 Cb 0.36 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1cbg h GLN 33 CO 0.01 0.71 -1.54 0.66 -0.67 0.00 0.00 178.83 178.00 1cbg n TYR 34 N -3.53 0.00 0.04 2.96 4.02 -0.88 -4.14 117.16 115.63 1cbg n TYR 34 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1cbg n TYR 34 Cb 0.73 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 39.63 1cbg n TYR 34 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1cbg h GLU 35 N -0.01 -0.04 0.00 -0.72 5.08 -1.46 -2.05 114.58 115.38 1cbg h GLU 35 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1cbg h GLU 35 Cb 1.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1cbg h GLU 35 CO -0.04 -0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.36 1cbg n GLY 36 N -1.13 -1.12 4.18 -3.84 0.00 -1.24 -1.78 105.19 100.26 1cbg n GLY 36 Ca -0.06 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 1cbg n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cbg n ALA 37 N 3.02 -2.05 0.20 4.61 0.00 -0.96 -4.85 120.51 120.48 1cbg n ALA 37 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 53.44 53.10 1cbg n ALA 37 Cb 0.00 -1.13 0.42 0.00 0.00 0.00 0.00 19.45 18.74 1cbg n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cbg h ALA 38 N 0.84 1.44 -0.02 0.00 0.00 -1.83 -3.09 119.26 116.60 1cbg h ALA 38 Ca -0.65 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1cbg h ALA 38 Cb 1.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1cbg h ALA 38 CO 0.67 0.38 0.00 1.19 0.00 0.00 0.00 179.25 181.49 1cbg n PHE 39 N -4.10 0.02 -3.42 0.00 3.01 -1.26 -4.68 117.46 107.03 1cbg n PHE 39 Ca -0.02 -0.08 -0.30 0.00 1.01 0.00 0.00 57.45 58.06 1cbg n PHE 39 Cb 0.35 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.78 1cbg n PHE 39 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1cbg s GLU 40 N -0.37 3.68 -1.42 -1.08 2.12 -1.17 -4.56 118.70 115.91 1cbg s GLU 40 Ca 0.04 0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.40 1cbg s GLU 40 Cb 0.03 -2.68 0.03 0.00 0.26 0.00 0.00 34.13 31.76 1cbg s GLU 40 CO 0.04 0.29 0.64 -0.25 -0.54 0.00 0.00 175.26 175.43 1cbg n ASP 41 N -0.51 -1.56 -0.13 -1.70 8.00 -1.26 -2.51 116.55 116.88 1cbg n ASP 41 Ca -0.01 -0.91 -0.02 0.00 0.71 0.00 0.00 54.79 54.57 1cbg n ASP 41 Cb 0.53 -3.51 -0.01 0.00 -0.02 0.00 0.00 41.12 38.11 1cbg n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cbg n GLY 42 N -1.74 0.51 3.78 0.44 0.00 -1.26 -4.33 105.19 102.58 1cbg n GLY 42 Ca -0.22 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1cbg n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cbg s LYS 43 N -1.13 4.33 0.26 1.61 2.20 -1.04 -4.74 119.74 121.24 1cbg s LYS 43 Ca 0.00 1.57 0.04 0.00 -0.36 0.00 0.00 55.97 57.22 1cbg s LYS 43 Cb 0.00 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 1cbg s LYS 43 CO 0.00 -0.00 0.40 0.20 -0.36 0.00 0.00 175.35 175.58 1cbg s GLY 44 N -1.40 1.25 0.35 5.54 0.00 -0.55 -4.69 107.32 107.82 1cbg s GLY 44 Ca 0.53 -1.18 -0.26 0.00 0.00 0.00 0.00 44.72 43.81 1cbg s GLY 44 CO 0.31 -1.19 1.07 2.56 0.00 0.00 0.00 173.10 175.85 1cbg s PRO 45 N -4.05 4.36 0.46 2.90 0.04 -1.26 -4.57 135.00 132.88 1cbg s PRO 45 Ca 0.36 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.12 1cbg s PRO 45 Cb -0.09 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.65 1cbg s PRO 45 CO 0.30 0.01 0.60 -1.54 0.04 0.00 0.00 177.00 176.41 1cbg s SER 46 N -1.27 5.45 0.47 6.66 1.04 -1.26 -0.62 113.70 124.17 1cbg s SER 46 Ca 0.52 -0.57 0.24 0.00 0.48 0.00 0.00 55.95 56.63 1cbg s SER 46 Cb -0.26 -0.41 1.13 0.00 0.10 0.00 0.00 66.02 66.58 1cbg s SER 46 CO 0.33 -0.89 1.93 0.16 0.98 0.00 0.00 173.24 175.76 1cbg h ILE 47 N 0.57 0.65 -0.03 -1.02 3.07 -1.24 -2.47 117.51 117.04 1cbg h ILE 47 Ca -0.38 -0.90 -0.20 0.00 1.55 0.00 0.00 64.86 64.94 1cbg h ILE 47 Cb 1.28 1.58 -0.01 0.00 -0.27 0.00 0.00 36.82 39.40 1cbg h ILE 47 CO 0.45 0.20 -0.82 -0.50 -1.05 0.00 0.00 178.15 176.44 1cbg h TRP 48 N 0.00 0.47 0.24 0.16 4.06 -1.87 -0.95 115.95 118.06 1cbg h TRP 48 Ca -0.00 -0.23 -0.01 0.00 2.06 0.00 0.00 58.89 60.70 1cbg h TRP 48 Cb 0.56 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1cbg h TRP 48 CO 0.00 1.01 -0.12 -0.44 -3.56 0.00 0.00 178.44 175.34 1cbg h ASP 49 N 0.21 -0.28 -0.15 -3.49 3.32 -1.85 -2.79 116.42 111.39 1cbg h ASP 49 Ca -0.05 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1cbg h ASP 49 Cb 1.42 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 1cbg h ASP 49 CO 0.13 -0.07 0.10 0.74 -1.72 0.00 0.00 179.24 178.42 1cbg h THR 50 N -0.47 1.04 -0.28 0.35 2.02 -1.49 -3.14 112.91 110.94 1cbg h THR 50 Ca -0.03 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.11 1cbg h THR 50 Cb 0.36 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1cbg h THR 50 CO 0.05 0.04 0.06 0.15 0.37 0.00 0.00 175.52 176.19 1cbg h PHE 51 N 0.20 0.10 -0.41 3.16 3.57 -1.18 -1.24 116.94 121.15 1cbg h PHE 51 Ca 0.05 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 1cbg h PHE 51 Cb -0.02 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1cbg h PHE 51 CO -0.07 0.03 -0.18 1.79 -2.23 0.00 0.00 178.31 177.66 1cbg h THR 52 N 0.17 1.27 0.00 4.41 1.35 -1.56 -1.91 112.91 116.63 1cbg h THR 52 Ca 0.13 -1.27 -0.25 0.00 -0.55 0.00 0.00 66.41 64.47 1cbg h THR 52 Cb 0.13 1.14 -0.04 0.00 -1.73 0.00 0.00 68.15 67.65 1cbg h THR 52 CO -0.17 0.43 -1.33 0.45 -0.25 0.00 0.00 175.52 174.65 1cbg h HIS 53 N 0.69 0.00 -0.06 4.73 3.86 -1.49 -3.16 115.15 119.73 1cbg h HIS 53 Ca 0.10 -0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.13 1cbg h HIS 53 Cb 0.68 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.16 1cbg h HIS 53 CO 0.04 1.00 -0.68 -0.22 0.86 0.00 0.00 177.93 178.93 1cbg h LYS 54 N 0.00 0.57 -2.77 2.45 3.64 -1.26 -3.40 116.57 115.80 1cbg h LYS 54 Ca -0.14 -0.53 -0.61 0.00 -1.27 0.00 0.00 60.65 58.10 1cbg h LYS 54 Cb 1.88 0.13 -0.41 0.00 -0.41 0.00 0.00 32.23 33.43 1cbg h LYS 54 CO 0.11 1.15 -0.71 0.66 -2.27 0.00 0.00 179.45 178.39 1cbg n TYR 55 N -4.11 1.98 0.24 1.91 4.01 -0.72 -4.95 117.16 115.52 1cbg n TYR 55 Ca -0.09 -3.99 0.11 0.00 -0.16 0.00 0.00 57.90 53.76 1cbg n TYR 55 Cb 0.70 -0.36 0.62 0.00 -0.31 0.00 0.00 39.34 39.99 1cbg n TYR 55 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1cbg h PRO 56 N 5.30 0.00 0.00 -0.72 0.11 -1.76 -2.58 132.00 132.34 1cbg h PRO 56 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1cbg h PRO 56 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1cbg h PRO 56 CO 0.62 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1cbg n GLU 57 N -3.66 0.12 0.00 1.05 0.00 -1.26 -2.63 120.64 114.26 1cbg n GLU 57 Ca -0.01 0.14 0.12 0.00 0.00 0.00 0.00 57.16 57.41 1cbg n GLU 57 Cb 0.30 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.50 1cbg n GLU 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1cbg n LYS 58 N -1.41 0.40 -4.07 3.44 5.02 -0.97 -4.78 118.16 115.79 1cbg n LYS 58 Ca 0.07 -0.25 -0.35 0.00 -2.02 0.00 0.00 58.31 55.76 1cbg n LYS 58 Cb 0.20 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 1cbg n LYS 58 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1cbg s ILE 59 N -2.77 4.20 0.24 -0.18 -1.09 -1.08 -4.81 121.20 115.71 1cbg s ILE 59 Ca 0.16 -0.23 -0.06 0.00 -2.23 0.00 0.00 60.65 58.29 1cbg s ILE 59 Cb 0.18 -2.90 0.25 0.00 -1.58 0.00 0.00 42.46 38.41 1cbg s ILE 59 CO 0.64 0.43 1.66 0.11 -1.23 0.00 0.00 174.94 176.54 1cbg h LYS 60 N 7.29 0.16 -0.52 2.79 1.79 -1.16 -1.72 116.57 125.20 1cbg h LYS 60 Ca -0.35 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1cbg h LYS 60 Cb 1.18 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1cbg h LYS 60 CO 0.63 0.11 0.00 -0.40 -1.08 0.00 0.00 179.45 178.70 1cbg n ASP 61 N -5.26 3.39 -3.61 0.86 5.75 -1.26 -5.00 116.55 111.42 1cbg n ASP 61 Ca 0.13 -1.99 -0.21 0.00 -0.01 0.00 0.00 54.79 52.71 1cbg n ASP 61 Cb 0.46 -0.34 0.06 0.00 -1.03 0.00 0.00 41.12 40.26 1cbg n ASP 61 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1cbg n ARG 62 N 1.05 -5.93 -3.87 0.11 1.74 -0.65 -5.02 116.66 104.10 1cbg n ARG 62 Ca 0.17 0.73 -0.26 0.00 -0.77 0.00 0.00 57.85 57.72 1cbg n ARG 62 Cb 0.52 -5.54 -0.01 0.00 -1.02 0.00 0.00 32.46 26.41 1cbg n ARG 62 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1cbg n THR 63 N -4.33 0.00 -4.04 0.55 -2.24 -1.26 -5.01 114.28 97.95 1cbg n THR 63 Ca -0.24 -2.16 -0.12 0.00 -2.27 0.00 0.00 64.05 59.26 1cbg n THR 63 Cb 0.65 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 1cbg n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1cbg s ASN 64 N -4.11 0.50 -0.31 3.42 6.03 -1.26 -4.89 114.94 114.32 1cbg s ASN 64 Ca 0.27 -1.29 0.10 0.00 -1.03 0.00 0.00 52.86 50.92 1cbg s ASN 64 Cb -0.02 0.65 0.69 0.00 -3.03 0.00 0.00 41.25 39.54 1cbg s ASN 64 CO 0.17 -1.28 1.72 0.61 -2.03 0.00 0.00 177.10 176.29 1cbg n GLY 65 N -0.50 3.92 0.19 0.45 0.00 -1.26 -4.53 105.19 103.46 1cbg n GLY 65 Ca -0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 1cbg n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cbg h ASP 66 N 2.26 0.50 0.00 1.61 5.19 -1.93 -3.35 116.42 120.70 1cbg h ASP 66 Ca 0.24 -0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 56.43 1cbg h ASP 66 Cb 2.16 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 41.51 1cbg h ASP 66 CO 0.64 0.36 -1.78 0.52 -3.12 0.00 0.00 179.24 175.87 1cbg n VAL 67 N -4.78 0.79 0.00 -1.35 0.31 -1.26 -2.26 118.33 109.77 1cbg n VAL 67 Ca 0.01 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1cbg n VAL 67 Cb 0.02 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1cbg n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cbg n ALA 68 N -2.83 0.00 -0.39 3.52 0.00 -1.26 -0.81 120.51 118.76 1cbg n ALA 68 Ca -0.23 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.31 1cbg n ALA 68 Cb 0.78 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.52 1cbg n ALA 68 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1cbg n ILE 69 N 0.00 1.15 -3.89 0.00 -5.35 -1.22 -4.97 119.36 105.08 1cbg n ILE 69 Ca 0.00 -1.05 -0.27 0.00 -0.27 0.00 0.00 62.75 61.17 1cbg n ILE 69 Cb 0.00 0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 38.32 1cbg n ILE 69 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1cbg n ASP 70 N 1.30 -1.36 0.22 7.28 2.03 0.01 -4.88 116.55 121.16 1cbg n ASP 70 Ca 0.22 -1.00 0.09 0.00 0.52 0.00 0.00 54.79 54.62 1cbg n ASP 70 Cb 0.63 -3.15 0.50 0.00 -0.72 0.00 0.00 41.12 38.37 1cbg n ASP 70 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1cbg h GLU 71 N -1.87 0.00 -0.60 -0.67 4.81 -0.93 -1.15 114.58 114.17 1cbg h GLU 71 Ca -0.64 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.72 1cbg h GLU 71 Cb 1.37 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.65 1cbg h GLU 71 CO 0.59 0.25 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.19 1cbg h TYR 72 N 0.00 -0.05 0.00 0.92 3.20 -1.60 0.73 116.97 120.16 1cbg h TYR 72 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1cbg h TYR 72 Cb 0.65 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1cbg h TYR 72 CO 0.00 -0.16 -1.43 0.72 -1.64 0.00 0.00 178.16 175.65 1cbg n HIS 73 N -5.28 0.14 -0.35 -3.82 8.25 -1.11 -4.54 115.22 108.50 1cbg n HIS 73 Ca 0.08 0.04 0.07 0.00 -0.26 0.00 0.00 57.72 57.65 1cbg n HIS 73 Cb 0.34 -0.39 0.20 0.00 1.12 0.00 0.00 29.99 31.26 1cbg n HIS 73 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1cbg n ARG 74 N -2.02 2.93 -0.08 -0.41 5.12 -0.45 -4.76 116.66 116.99 1cbg n ARG 74 Ca -0.00 -2.29 0.16 0.00 -1.93 0.00 0.00 57.85 53.79 1cbg n ARG 74 Cb 0.47 -1.43 0.57 0.00 -1.16 0.00 0.00 32.46 30.91 1cbg n ARG 74 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 1cbg h TYR 75 N 2.35 0.30 -0.40 -1.55 -0.00 -1.10 -2.39 116.97 114.19 1cbg h TYR 75 Ca 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 58.73 58.67 1cbg h TYR 75 Cb 0.92 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 37.53 1cbg h TYR 75 CO 0.33 0.13 -0.04 0.87 -0.00 0.00 0.00 178.16 179.46 1cbg h LYS 76 N 0.27 0.72 -0.51 0.10 1.57 -1.87 -2.30 116.57 114.55 1cbg h LYS 76 Ca 0.30 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1cbg h LYS 76 Cb 0.79 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1cbg h LYS 76 CO -0.07 0.83 0.08 1.49 -0.57 0.00 0.00 179.45 181.21 1cbg h GLU 77 N 0.54 0.85 -0.64 3.15 4.81 -1.82 -2.09 114.58 119.39 1cbg h GLU 77 Ca 0.11 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1cbg h GLU 77 Cb 0.53 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1cbg h GLU 77 CO 0.03 0.85 0.37 -0.44 -0.73 0.00 0.00 179.01 179.09 1cbg h ASP 78 N 0.73 0.79 0.06 1.04 3.32 -1.39 -2.25 116.42 118.72 1cbg h ASP 78 Ca 0.15 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1cbg h ASP 78 Cb 0.41 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1cbg h ASP 78 CO 0.01 0.63 -0.44 0.40 -1.72 0.00 0.00 179.24 178.13 1cbg h ILE 79 N 0.87 1.31 -0.41 0.35 1.08 -1.40 -2.91 117.51 116.41 1cbg h ILE 79 Ca 0.23 -1.62 0.04 0.00 -0.39 0.00 0.00 64.86 63.12 1cbg h ILE 79 Cb 0.00 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.36 1cbg h ILE 79 CO -0.04 0.50 0.19 1.23 -0.69 0.00 0.00 178.15 179.34 1cbg h GLY 80 N 1.13 0.56 0.99 5.37 0.00 -0.97 -0.01 103.07 110.14 1cbg h GLY 80 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1cbg h GLY 80 CO 0.08 0.08 0.07 -2.22 0.00 0.00 0.00 176.54 174.55 1cbg h ILE 81 N 0.39 1.03 -0.40 2.60 2.04 -1.30 -1.75 117.51 120.13 1cbg h ILE 81 Ca 0.18 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1cbg h ILE 81 Cb 0.10 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1cbg h ILE 81 CO -0.14 0.03 0.09 0.24 0.00 0.00 0.00 178.15 178.37 1cbg h MET 82 N 0.14 0.21 -0.43 2.37 2.86 -1.29 -1.29 114.93 117.50 1cbg h MET 82 Ca 0.04 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1cbg h MET 82 Cb -0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1cbg h MET 82 CO -0.01 0.14 0.24 -0.22 1.06 0.00 0.00 176.91 178.12 1cbg h LYS 83 N 0.22 0.60 -0.57 1.72 3.64 -0.76 -2.62 116.57 118.81 1cbg h LYS 83 Ca 0.19 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1cbg h LYS 83 Cb 0.22 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1cbg h LYS 83 CO -0.24 0.48 0.36 0.22 -2.27 0.00 0.00 179.45 178.00 1cbg h ASP 84 N 0.57 0.66 0.33 4.20 3.58 -0.77 -2.45 116.42 122.54 1cbg h ASP 84 Ca 0.15 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1cbg h ASP 84 Cb 0.05 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1cbg h ASP 84 CO -0.03 0.49 0.00 0.23 -2.88 0.00 0.00 179.24 177.06 1cbg n MET 85 N -4.44 0.50 -2.01 0.28 2.81 -0.54 -4.94 117.12 108.78 1cbg n MET 85 Ca 0.05 0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.87 1cbg n MET 85 Cb 0.06 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.05 1cbg n MET 85 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1cbg n ASN 86 N -1.20 -3.83 -4.80 7.83 3.02 -0.92 -4.43 115.26 110.93 1cbg n ASN 86 Ca 0.14 0.06 -0.32 0.00 -0.03 0.00 0.00 54.58 54.42 1cbg n ASN 86 Cb 0.17 -2.90 0.03 0.00 -0.61 0.00 0.00 39.78 36.47 1cbg n ASN 86 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1cbg s LEU 87 N -3.10 3.39 -0.12 3.41 1.43 -1.16 -4.95 118.68 117.57 1cbg s LEU 87 Ca 0.00 1.80 0.19 0.00 -1.03 0.00 0.00 54.13 55.10 1cbg s LEU 87 Cb 0.00 -4.53 -0.28 0.00 0.03 0.00 0.00 46.19 41.41 1cbg s LEU 87 CO 0.00 -1.33 0.27 0.47 0.23 0.00 0.00 176.35 175.98 1cbg n ASP 88 N -2.38 0.05 -3.84 2.29 8.00 0.46 -4.79 116.55 116.34 1cbg n ASP 88 Ca 0.09 0.02 -0.08 0.00 0.71 0.00 0.00 54.79 55.53 1cbg n ASP 88 Cb 0.53 1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 42.93 1cbg n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cbg s ALA 89 N -2.91 -0.99 -0.04 2.24 0.00 -1.12 -2.36 121.76 116.59 1cbg s ALA 89 Ca -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1cbg s ALA 89 Cb 0.09 0.90 0.03 0.00 0.00 0.00 0.00 23.12 24.14 1cbg s ALA 89 CO 0.86 -0.94 0.01 -0.47 0.00 0.00 0.00 175.76 175.22 1cbg s TYR 90 N -3.92 0.32 -0.26 0.00 5.04 -0.98 -3.27 117.35 114.28 1cbg s TYR 90 Ca 0.12 0.01 -0.08 0.00 -2.44 0.00 0.00 57.07 54.69 1cbg s TYR 90 Cb -0.04 -0.47 -0.03 0.00 0.35 0.00 0.00 41.96 41.78 1cbg s TYR 90 CO 0.04 -0.16 0.09 0.50 -1.34 0.00 0.00 175.55 174.68 1cbg s ARG 91 N 1.30 3.61 0.21 4.97 3.52 -0.04 -1.50 118.95 131.02 1cbg s ARG 91 Ca -0.06 -0.51 -0.00 0.00 -0.13 0.00 0.00 55.73 55.02 1cbg s ARG 91 Cb -0.13 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 1cbg s ARG 91 CO -0.02 -0.23 0.12 -0.59 -0.81 0.00 0.00 175.30 173.76 1cbg s PHE 92 N 1.62 1.24 0.24 5.12 -0.12 -0.98 -1.22 117.98 123.89 1cbg s PHE 92 Ca 0.06 -1.31 0.11 0.00 -0.05 0.00 0.00 56.93 55.73 1cbg s PHE 92 Cb -0.15 -0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 41.54 1cbg s PHE 92 CO 0.04 -0.55 -0.19 -1.54 -0.05 0.00 0.00 175.22 172.93 1cbg s SER 93 N -3.19 3.25 -0.18 1.98 1.04 -1.26 -2.00 113.70 113.34 1cbg s SER 93 Ca 0.38 -0.98 -0.09 0.00 0.48 0.00 0.00 55.95 55.74 1cbg s SER 93 Cb 0.07 -0.24 -0.05 0.00 0.10 0.00 0.00 66.02 65.90 1cbg s SER 93 CO 0.12 0.00 0.11 -0.63 0.98 0.00 0.00 173.24 173.82 1cbg s ILE 94 N -2.41 5.27 -0.35 -1.02 1.01 -0.76 -4.29 121.20 118.65 1cbg s ILE 94 Ca 0.25 0.13 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 1cbg s ILE 94 Cb -0.05 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 39.07 1cbg s ILE 94 CO 0.12 0.48 1.03 -0.55 0.00 0.00 0.00 174.94 176.02 1cbg s SER 95 N 0.06 6.82 0.12 3.58 0.15 -1.26 -4.66 113.70 118.50 1cbg s SER 95 Ca 0.08 0.84 -0.32 0.00 0.70 0.00 0.00 55.95 57.25 1cbg s SER 95 Cb -0.11 -2.52 -0.11 0.00 -1.71 0.00 0.00 66.02 61.57 1cbg s SER 95 CO -0.00 -0.90 1.57 -0.25 1.20 0.00 0.00 173.24 174.86 1cbg h TRP 96 N 8.32 -1.37 0.00 3.44 2.91 -1.82 -2.00 115.95 125.43 1cbg h TRP 96 Ca -0.22 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.85 1cbg h TRP 96 Cb 1.07 0.60 0.00 0.00 -0.51 0.00 0.00 29.16 30.32 1cbg h TRP 96 CO 0.85 -0.54 0.00 -0.35 -1.03 0.00 0.00 178.44 177.36 1cbg n PRO 97 N -5.46 0.05 0.11 2.65 -0.04 -1.26 -1.70 135.00 129.35 1cbg n PRO 97 Ca -0.07 0.29 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 1cbg n PRO 97 Cb 0.39 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 1cbg n PRO 97 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1cbg h ARG 98 N 0.00 0.39 0.03 0.54 2.43 -1.60 -1.44 114.38 114.73 1cbg h ARG 98 Ca 0.00 -0.67 -0.30 0.00 -0.81 0.00 0.00 59.98 58.19 1cbg h ARG 98 Cb 0.12 0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1cbg h ARG 98 CO 0.00 1.31 -1.74 -0.39 -1.51 0.00 0.00 179.97 177.64 1cbg h VAL 99 N 0.11 0.84 -2.79 0.20 -1.51 -1.42 -3.39 116.25 108.28 1cbg h VAL 99 Ca -0.23 -2.66 -0.60 0.00 -1.23 0.00 0.00 66.70 61.99 1cbg h VAL 99 Cb 2.08 2.47 -0.40 0.00 -2.13 0.00 0.00 31.29 33.31 1cbg h VAL 99 CO 0.22 0.60 -0.79 -0.76 -1.23 0.00 0.00 177.57 175.61 1cbg s LEU 100 N -6.35 2.20 0.57 4.19 1.43 -0.69 0.11 118.68 120.14 1cbg s LEU 100 Ca -0.08 -2.67 0.27 0.00 -1.03 0.00 0.00 54.13 50.62 1cbg s LEU 100 Cb 0.08 -0.82 1.55 0.00 0.03 0.00 0.00 46.19 47.03 1cbg s LEU 100 CO 0.81 -0.25 2.03 -0.65 0.23 0.00 0.00 176.35 178.53 1cbg h PRO 101 N 6.54 0.00 -0.43 1.29 0.11 -1.69 -0.70 132.00 137.11 1cbg h PRO 101 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1cbg h PRO 101 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1cbg h PRO 101 CO 0.42 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.84 1cbg n LYS 102 N -3.93 2.98 0.00 1.05 4.76 -1.26 -4.46 118.16 117.30 1cbg n LYS 102 Ca 0.05 -2.38 0.00 0.00 -2.87 0.00 0.00 58.31 53.11 1cbg n LYS 102 Cb 0.45 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1cbg n LYS 102 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cbg n GLY 103 N 0.60 1.43 3.75 0.72 0.00 -0.27 -4.56 105.19 106.86 1cbg n GLY 103 Ca 0.17 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1cbg n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cbg s LYS 104 N 0.00 2.71 0.39 1.61 1.02 -1.26 -4.87 119.74 119.33 1cbg s LYS 104 Ca 0.00 1.65 0.19 0.00 0.02 0.00 0.00 55.97 57.83 1cbg s LYS 104 Cb 0.00 -1.91 0.76 0.00 -0.52 0.00 0.00 37.83 36.15 1cbg s LYS 104 CO 0.00 -1.37 1.78 1.25 -0.92 0.00 0.00 175.35 176.08 1cbg h LEU 105 N 0.30 0.00 -0.41 3.17 5.85 -1.91 -2.95 115.31 119.36 1cbg h LEU 105 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1cbg h LEU 105 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1cbg h LEU 105 CO 0.53 0.35 0.00 -1.54 -0.34 0.00 0.00 178.44 177.44 1cbg n SER 106 N -3.59 0.63 0.05 1.25 3.41 -1.26 -3.28 113.62 110.82 1cbg n SER 106 Ca -0.01 -1.40 0.11 0.00 -0.26 0.00 0.00 58.87 57.32 1cbg n SER 106 Cb 0.47 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1cbg n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cbg n GLY 107 N 0.98 -1.29 0.00 5.00 0.00 -1.11 -5.06 105.19 103.70 1cbg n GLY 107 Ca 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1cbg n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cbg n GLY 108 N 1.28 2.70 3.69 -0.02 0.00 -1.21 -4.73 105.19 106.90 1cbg n GLY 108 Ca 0.00 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1cbg n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbg s VAL 109 N -2.09 5.32 -0.49 1.61 1.01 -1.26 -4.10 120.40 120.41 1cbg s VAL 109 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 1cbg s VAL 109 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1cbg s VAL 109 CO 0.00 0.40 0.87 0.21 0.00 0.00 0.00 175.10 176.58 1cbg s ASN 110 N 0.66 6.40 0.13 3.32 2.47 0.12 -4.96 114.94 123.07 1cbg s ASN 110 Ca 0.07 -0.18 -0.15 0.00 0.42 0.00 0.00 52.86 53.02 1cbg s ASN 110 Cb -0.12 -2.42 -0.02 0.00 -1.45 0.00 0.00 41.25 37.24 1cbg s ASN 110 CO 0.01 -1.07 1.60 0.08 -3.72 0.00 0.00 177.10 174.00 1cbg h ARG 111 N 9.13 0.67 -0.74 0.43 0.11 -1.91 -2.42 114.38 119.65 1cbg h ARG 111 Ca -0.25 -0.18 0.12 0.00 0.10 0.00 0.00 59.98 59.77 1cbg h ARG 111 Cb 1.08 -0.08 -0.05 0.00 1.11 0.00 0.00 29.97 32.03 1cbg h ARG 111 CO 1.03 0.72 0.49 0.93 0.10 0.00 0.00 179.97 183.24 1cbg h GLU 112 N 0.51 0.50 -0.04 0.08 4.39 -1.93 -1.86 114.58 116.23 1cbg h GLU 112 Ca 0.12 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1cbg h GLU 112 Cb 0.38 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1cbg h GLU 112 CO 0.01 0.33 -0.05 0.78 -1.16 0.00 0.00 179.01 178.92 1cbg h GLY 113 N 0.51 0.12 0.83 -3.84 0.00 -1.66 -2.81 103.07 96.23 1cbg h GLY 113 Ca 0.36 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.59 1cbg h GLY 113 CO -0.12 0.11 0.43 -2.22 0.00 0.00 0.00 176.54 174.74 1cbg h ILE 114 N -0.35 1.07 -0.85 2.60 1.08 -1.02 -2.80 117.51 117.24 1cbg h ILE 114 Ca 0.01 -0.29 0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1cbg h ILE 114 Cb 0.56 0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.43 1cbg h ILE 114 CO 0.01 0.15 0.54 -1.13 -0.69 0.00 0.00 178.15 177.04 1cbg h ASN 115 N 0.83 0.90 0.20 1.72 -1.24 -1.34 -2.25 115.58 114.40 1cbg h ASN 115 Ca 0.29 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.29 1cbg h ASN 115 Cb 0.05 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 1cbg h ASN 115 CO -0.12 0.62 -0.16 0.22 -1.29 0.00 0.00 177.43 176.70 1cbg h TYR 116 N 1.05 -0.40 -0.45 0.67 3.20 -1.22 -1.41 116.97 118.40 1cbg h TYR 116 Ca 0.34 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.16 1cbg h TYR 116 Cb 0.02 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1cbg h TYR 116 CO -0.02 -0.24 0.08 1.88 -1.64 0.00 0.00 178.16 178.22 1cbg h TYR 117 N -0.36 0.70 -0.33 -3.82 0.05 -1.51 -1.04 116.97 110.66 1cbg h TYR 117 Ca -0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1cbg h TYR 117 Cb 0.32 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1cbg h TYR 117 CO -0.12 0.62 0.18 -0.91 -1.05 0.00 0.00 178.16 176.89 1cbg h ASN 118 N 0.66 0.40 -0.40 3.88 2.35 -1.12 -0.92 115.58 120.43 1cbg h ASN 118 Ca 0.15 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1cbg h ASN 118 Cb 0.29 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1cbg h ASN 118 CO 0.00 0.36 0.26 0.78 -1.65 0.00 0.00 177.43 177.19 1cbg h ASN 119 N 0.41 0.47 -0.03 5.81 2.35 -0.64 -1.95 115.58 122.00 1cbg h ASN 119 Ca 0.12 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1cbg h ASN 119 Cb 0.05 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1cbg h ASN 119 CO -0.02 0.35 0.01 0.25 -1.65 0.00 0.00 177.43 176.37 1cbg h LEU 120 N 0.54 0.04 -0.28 1.61 5.85 -1.03 -1.63 115.31 120.40 1cbg h LEU 120 Ca 0.15 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1cbg h LEU 120 Cb -0.05 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1cbg h LEU 120 CO -0.03 0.14 0.15 0.40 -0.34 0.00 0.00 178.44 178.75 1cbg h ILE 121 N -0.07 1.00 -0.39 4.05 2.04 -1.15 -0.77 117.51 122.23 1cbg h ILE 121 Ca 0.01 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 1cbg h ILE 121 Cb 0.11 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1cbg h ILE 121 CO -0.00 0.06 -0.10 0.78 0.00 0.00 0.00 178.15 178.88 1cbg h ASN 122 N 0.31 0.66 -0.15 1.72 2.35 -1.35 -2.23 115.58 116.88 1cbg h ASN 122 Ca 0.12 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1cbg h ASN 122 Cb 0.03 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1cbg h ASN 122 CO -0.07 0.80 0.00 -0.08 -1.65 0.00 0.00 177.43 176.43 1cbg h GLU 123 N 0.62 0.27 0.10 0.81 4.57 -0.90 -1.18 114.58 118.87 1cbg h GLU 123 Ca 0.11 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1cbg h GLU 123 Cb 0.54 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 1cbg h GLU 123 CO 0.03 0.49 -0.30 0.28 -1.18 0.00 0.00 179.01 178.34 1cbg h VAL 124 N 0.02 0.36 -0.34 0.32 2.07 -1.00 -2.52 116.25 115.15 1cbg h VAL 124 Ca 0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1cbg h VAL 124 Cb 0.37 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1cbg h VAL 124 CO 0.01 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.52 1cbg h LEU 125 N -0.50 0.50 -1.60 2.57 3.38 -1.33 -2.66 115.31 115.67 1cbg h LEU 125 Ca 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1cbg h LEU 125 Cb 0.54 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1cbg h LEU 125 CO -0.18 0.58 -0.08 0.00 0.09 0.00 0.00 178.44 178.85 1cbg h ALA 126 N 1.48 1.05 -0.72 1.53 0.00 -0.92 -2.90 119.26 118.79 1cbg h ALA 126 Ca 0.11 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1cbg h ALA 126 Cb 0.34 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.97 1cbg h ALA 126 CO 0.01 0.10 0.29 0.09 0.00 0.00 0.00 179.25 179.74 1cbg n ASN 127 N -3.26 4.38 -3.53 0.00 3.02 -0.97 -4.96 115.26 109.93 1cbg n ASN 127 Ca -0.00 -3.33 -0.25 0.00 -0.03 0.00 0.00 54.58 50.97 1cbg n ASN 127 Cb 0.30 -0.74 0.05 0.00 -0.61 0.00 0.00 39.78 38.79 1cbg n ASN 127 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cbg n GLY 128 N -0.44 -0.53 3.25 7.41 0.00 -1.10 -4.79 105.19 108.99 1cbg n GLY 128 Ca 0.42 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.48 1cbg n GLY 128 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1cbg s MET 129 N -6.23 1.06 -0.14 1.61 -1.94 -1.02 -4.82 119.30 107.82 1cbg s MET 129 Ca 0.53 -1.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.14 1cbg s MET 129 Cb -0.25 -0.81 -0.03 0.00 2.01 0.00 0.00 34.83 35.76 1cbg s MET 129 CO 0.66 0.13 -0.05 -0.65 -0.01 0.00 0.00 175.02 175.10 1cbg s GLN 130 N -3.16 3.47 0.06 2.03 -0.21 -1.00 -3.08 119.66 117.77 1cbg s GLN 130 Ca 0.13 -0.53 -0.29 0.00 0.02 0.00 0.00 55.36 54.69 1cbg s GLN 130 Cb -0.02 -2.83 -0.05 0.00 1.00 0.00 0.00 33.01 31.11 1cbg s GLN 130 CO 0.02 0.33 0.92 -1.25 -2.12 0.00 0.00 175.29 173.19 1cbg s PRO 131 N 0.11 4.62 -0.35 2.91 0.04 -1.26 -2.32 135.00 138.75 1cbg s PRO 131 Ca -0.01 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1cbg s PRO 131 Cb -0.14 -3.40 0.09 0.00 0.04 0.00 0.00 34.50 31.10 1cbg s PRO 131 CO 0.03 0.15 0.09 0.71 0.04 0.00 0.00 177.00 178.02 1cbg s TYR 132 N 0.27 3.58 -0.22 0.56 1.51 -0.56 -4.34 117.35 118.15 1cbg s TYR 132 Ca 0.46 -2.55 -0.06 0.00 -1.01 0.00 0.00 57.07 53.91 1cbg s TYR 132 Cb -0.22 -2.82 -0.03 0.00 -0.11 0.00 0.00 41.96 38.78 1cbg s TYR 132 CO 0.28 -0.93 0.04 0.08 -1.11 0.00 0.00 175.55 173.91 1cbg s VAL 133 N 1.06 4.28 -0.21 0.71 1.01 -0.92 -2.31 120.40 124.03 1cbg s VAL 133 Ca 0.06 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1cbg s VAL 133 Cb -0.21 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1cbg s VAL 133 CO -0.05 0.40 0.51 -0.89 0.00 0.00 0.00 175.10 175.06 1cbg s THR 134 N 1.11 5.11 -0.05 3.92 2.01 -0.85 0.05 115.64 126.94 1cbg s THR 134 Ca 0.04 0.92 -0.24 0.00 0.31 0.00 0.00 61.69 62.72 1cbg s THR 134 Cb -0.14 -3.83 -0.26 0.00 0.01 0.00 0.00 72.50 68.28 1cbg s THR 134 CO 0.03 0.17 0.97 -0.07 -0.69 0.00 0.00 174.62 175.02 1cbg h LEU 135 N 8.07 0.31 -7.79 4.42 3.38 -0.81 -2.01 115.31 120.87 1cbg h LEU 135 Ca -0.33 -0.85 -0.61 0.00 0.09 0.00 0.00 57.88 56.18 1cbg h LEU 135 Cb 1.15 -0.10 -0.37 0.00 0.09 0.00 0.00 40.66 41.44 1cbg h LEU 135 CO 0.73 1.12 -0.81 0.12 0.09 0.00 0.00 178.44 179.69 1cbg s PHE 136 N -2.84 2.33 -0.49 1.13 5.36 -0.84 -4.50 117.98 118.13 1cbg s PHE 136 Ca -0.15 -1.50 0.08 0.00 -0.96 0.00 0.00 56.93 54.39 1cbg s PHE 136 Cb 0.01 -1.61 0.35 0.00 -0.34 0.00 0.00 43.02 41.43 1cbg s PHE 136 CO 0.77 -0.72 0.89 1.58 -1.46 0.00 0.00 175.22 176.28 1cbg n HIS 137 N 4.71 2.65 -0.81 10.12 -0.00 -1.26 -1.84 115.22 128.79 1cbg n HIS 137 Ca -0.15 -3.83 0.00 0.00 0.46 0.00 0.00 57.72 54.20 1cbg n HIS 137 Cb 0.47 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 1cbg n HIS 137 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 1cbg n TRP 138 N -0.09 0.00 -2.77 1.57 8.01 -1.26 -4.85 117.44 118.05 1cbg n TRP 138 Ca 0.29 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 56.05 1cbg n TRP 138 Cb 0.51 -0.88 0.01 0.00 -2.01 0.00 0.00 31.31 28.94 1cbg n TRP 138 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 1cbg n ASP 139 N -0.15 5.69 -4.70 -0.99 5.68 -1.26 -4.81 116.55 116.01 1cbg n ASP 139 Ca 0.00 -3.21 -0.42 0.00 -0.50 0.00 0.00 54.79 50.66 1cbg n ASP 139 Cb 0.08 -1.40 -0.03 0.00 -1.14 0.00 0.00 41.12 38.63 1cbg n ASP 139 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1cbg s VAL 140 N -0.94 3.67 0.22 2.12 1.01 -1.26 -4.48 120.40 120.75 1cbg s VAL 140 Ca 0.36 1.12 -0.31 0.00 0.00 0.00 0.00 61.98 63.14 1cbg s VAL 140 Cb 0.04 -3.72 -0.14 0.00 0.00 0.00 0.00 36.38 32.56 1cbg s VAL 140 CO 0.04 0.03 1.29 -2.65 0.00 0.00 0.00 175.10 173.80 1cbg n PRO 141 N 4.85 1.68 0.04 2.72 -0.02 -1.26 -0.77 135.00 142.24 1cbg n PRO 141 Ca 0.12 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 62.23 1cbg n PRO 141 Cb 0.44 -2.17 0.41 0.00 -0.02 0.00 0.00 33.50 32.15 1cbg n PRO 141 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1cbg h GLN 142 N 3.70 0.44 -0.50 -0.52 5.75 -1.11 -2.93 115.11 119.94 1cbg h GLN 142 Ca -0.44 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.08 1cbg h GLN 142 Cb 1.30 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.71 1cbg h GLN 142 CO 0.72 0.37 0.18 0.00 -2.65 0.00 0.00 178.83 177.45 1cbg h ALA 143 N 1.70 0.61 0.00 3.38 0.00 -1.86 -0.10 119.26 122.98 1cbg h ALA 143 Ca 0.11 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1cbg h ALA 143 Cb 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1cbg h ALA 143 CO -0.01 -0.22 -0.50 -0.07 0.00 0.00 0.00 179.25 178.46 1cbg h LEU 144 N 0.35 0.00 -0.19 0.00 3.38 -1.76 -0.60 115.31 116.49 1cbg h LEU 144 Ca 0.24 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1cbg h LEU 144 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1cbg h LEU 144 CO -0.24 0.50 -0.23 -0.08 0.09 0.00 0.00 178.44 178.48 1cbg h GLU 145 N 0.00 0.48 -0.42 1.13 4.57 -1.33 -1.45 114.58 117.57 1cbg h GLU 145 Ca -0.00 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 1cbg h GLU 145 Cb 1.04 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1cbg h GLU 145 CO 0.06 0.85 0.14 -0.44 -1.18 0.00 0.00 179.01 178.45 1cbg h ASP 146 N 0.14 0.60 0.16 1.04 3.32 -0.94 -1.43 116.42 119.31 1cbg h ASP 146 Ca 0.02 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1cbg h ASP 146 Cb 0.79 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1cbg h ASP 146 CO 0.05 0.64 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.06 1cbg h GLU 147 N 0.53 -0.21 0.00 3.56 4.81 -1.11 -3.42 114.58 118.74 1cbg h GLU 147 Ca 0.14 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 1cbg h GLU 147 Cb 0.25 0.05 -0.32 0.00 0.63 0.00 0.00 28.75 29.35 1cbg h GLU 147 CO -0.01 0.19 -0.94 2.48 -0.73 0.00 0.00 179.01 180.01 1cbg n TYR 148 N -4.98 0.00 -2.42 0.92 0.18 -0.57 -5.02 117.16 105.27 1cbg n TYR 148 Ca -0.09 -0.42 -0.14 0.00 1.88 0.00 0.00 57.90 59.13 1cbg n TYR 148 Cb 0.26 -0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.10 1cbg n TYR 148 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1cbg n ARG 149 N 0.41 -1.77 0.00 -3.48 1.74 -0.54 -3.69 116.66 109.33 1cbg n ARG 149 Ca 0.04 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1cbg n ARG 149 Cb 1.07 -4.86 0.00 0.00 -1.02 0.00 0.00 32.46 27.65 1cbg n ARG 149 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cbg n GLY 150 N -1.09 2.11 0.08 -0.13 0.00 -1.04 -1.79 105.19 103.33 1cbg n GLY 150 Ca -0.13 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1cbg n GLY 150 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cbg n PHE 151 N 4.96 0.00 0.65 1.61 3.72 -1.26 -2.12 117.46 125.02 1cbg n PHE 151 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1cbg n PHE 151 Cb 0.00 -0.02 0.10 0.00 -0.94 0.00 0.00 39.48 38.63 1cbg n PHE 151 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1cbg n LEU 152 N -0.42 2.71 -4.25 4.37 4.77 -0.74 -4.04 117.00 119.40 1cbg n LEU 152 Ca 0.00 -1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 54.56 1cbg n LEU 152 Cb 0.04 -0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 1cbg n LEU 152 CO 0.00 0.51 -0.54 -0.83 -1.33 0.00 0.00 177.39 175.19 1cbg s GLY 153 N -1.50 1.13 0.58 -0.72 0.00 -0.90 -4.97 107.32 100.94 1cbg s GLY 153 Ca 0.24 -0.98 0.38 0.00 0.00 0.00 0.00 44.72 44.36 1cbg s GLY 153 CO 0.24 -0.78 2.13 -0.09 0.00 0.00 0.00 173.10 174.60 1cbg h ARG 154 N 5.65 0.00 -0.03 2.90 2.43 -1.89 -2.92 114.38 120.52 1cbg h ARG 154 Ca -0.40 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1cbg h ARG 154 Cb 1.14 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1cbg h ARG 154 CO 0.47 0.00 0.04 -0.91 -1.51 0.00 0.00 179.97 178.06 1cbg h ASN 155 N 0.00 0.00 -0.46 -3.80 4.21 -1.94 -3.00 115.58 110.59 1cbg h ASN 155 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1cbg h ASN 155 Cb 0.27 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 1cbg h ASN 155 CO 0.00 0.00 0.28 -0.29 -1.29 0.00 0.00 177.43 176.13 1cbg h ILE 156 N 0.00 1.14 0.26 2.81 6.09 -1.75 -3.13 117.51 122.93 1cbg h ILE 156 Ca 0.02 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 63.15 1cbg h ILE 156 Cb 0.09 0.48 0.00 0.00 0.47 0.00 0.00 36.82 37.86 1cbg h ILE 156 CO -0.00 0.16 -0.12 0.58 -3.07 0.00 0.00 178.15 175.69 1cbg h VAL 157 N 0.67 0.76 -0.71 2.19 2.07 -1.79 0.11 116.25 119.54 1cbg h VAL 157 Ca 0.17 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 1cbg h VAL 157 Cb -0.00 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1cbg h VAL 157 CO -0.03 0.01 0.17 0.44 0.02 0.00 0.00 177.57 178.18 1cbg h ASP 158 N -0.37 1.07 -0.23 0.57 3.32 -1.77 -1.05 116.42 117.96 1cbg h ASP 158 Ca -0.04 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.66 1cbg h ASP 158 Cb 0.28 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1cbg h ASP 158 CO 0.06 1.03 -0.29 0.44 -1.72 0.00 0.00 179.24 178.76 1cbg h ASP 159 N 1.07 0.76 -0.14 6.45 3.32 -1.50 -2.52 116.42 123.86 1cbg h ASP 159 Ca 0.22 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 1cbg h ASP 159 Cb 0.37 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1cbg h ASP 159 CO 0.00 1.00 -0.39 0.15 -1.72 0.00 0.00 179.24 178.29 1cbg h PHE 160 N 0.63 0.80 -0.73 4.55 3.57 -0.49 -2.28 116.94 122.99 1cbg h PHE 160 Ca 0.07 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1cbg h PHE 160 Cb 0.81 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1cbg h PHE 160 CO 0.04 0.95 0.39 -0.09 -2.23 0.00 0.00 178.31 177.38 1cbg h ARG 161 N 0.55 1.02 -0.59 1.11 2.43 -1.09 -1.84 114.38 115.98 1cbg h ARG 161 Ca 0.05 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1cbg h ARG 161 Cb 0.91 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1cbg h ARG 161 CO 0.08 0.76 0.23 -0.44 -1.51 0.00 0.00 179.97 179.10 1cbg h ASP 162 N 1.01 0.82 -0.08 -3.80 3.32 -1.25 -2.17 116.42 114.26 1cbg h ASP 162 Ca 0.26 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1cbg h ASP 162 Cb 0.05 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1cbg h ASP 162 CO -0.04 0.77 0.04 0.22 -1.72 0.00 0.00 179.24 178.51 1cbg h TYR 163 N 0.82 0.11 -0.33 4.55 3.20 -1.21 -2.26 116.97 121.85 1cbg h TYR 163 Ca 0.20 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.10 1cbg h TYR 163 Cb 0.20 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1cbg h TYR 163 CO 0.01 0.18 0.10 0.00 -1.64 0.00 0.00 178.16 176.81 1cbg h ALA 164 N 0.93 0.38 -0.80 1.82 0.00 -1.28 -2.17 119.26 118.13 1cbg h ALA 164 Ca 0.03 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1cbg h ALA 164 Cb 0.10 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1cbg h ALA 164 CO -0.00 -0.30 0.49 1.49 0.00 0.00 0.00 179.25 180.93 1cbg h GLU 165 N 0.24 0.88 -0.19 0.00 4.81 -1.31 0.13 114.58 119.13 1cbg h GLU 165 Ca 0.15 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1cbg h GLU 165 Cb 0.13 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1cbg h GLU 165 CO -0.17 0.58 0.08 1.25 -0.73 0.00 0.00 179.01 180.02 1cbg h LEU 166 N 0.90 0.11 -0.66 1.64 5.85 -0.98 -0.55 115.31 121.61 1cbg h LEU 166 Ca 0.35 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.05 1cbg h LEU 166 Cb 0.16 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1cbg h LEU 166 CO -0.17 0.09 0.27 0.00 -0.34 0.00 0.00 178.44 178.29 1cbg h PHE 168 N 0.94 1.18 -0.09 0.00 0.04 -0.73 -0.54 116.94 117.74 1cbg h PHE 168 Ca 0.22 -0.10 -0.24 0.00 2.80 0.00 0.00 57.97 60.65 1cbg h PHE 168 Cb 0.20 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 38.01 1cbg h PHE 168 CO 0.01 0.91 -0.89 0.87 -0.60 0.00 0.00 178.31 178.60 1cbg h LYS 169 N 1.12 0.75 0.23 1.51 1.57 -0.97 -2.55 116.57 118.23 1cbg h LYS 169 Ca 0.25 -0.69 -0.32 0.00 -1.87 0.00 0.00 60.65 58.02 1cbg h LYS 169 Cb 0.24 0.17 0.04 0.00 0.08 0.00 0.00 32.23 32.76 1cbg h LYS 169 CO -0.02 1.29 -1.39 0.93 -0.57 0.00 0.00 179.45 179.69 1cbg h GLU 170 N 0.48 0.54 0.00 3.15 4.39 -1.14 -3.41 114.58 118.59 1cbg h GLU 170 Ca -0.09 -0.88 0.00 0.00 0.34 0.00 0.00 59.36 58.73 1cbg h GLU 170 Cb 1.53 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 1cbg h GLU 170 CO 0.18 1.42 -0.49 1.19 -1.16 0.00 0.00 179.01 180.15 1cbg n PHE 171 N -3.77 0.00 0.18 4.33 3.72 -0.22 -4.78 117.46 116.92 1cbg n PHE 171 Ca -0.16 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.42 1cbg n PHE 171 Cb 1.06 -0.02 0.80 0.00 -0.94 0.00 0.00 39.48 40.38 1cbg n PHE 171 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1cbg h GLY 172 N 1.81 0.00 2.00 1.37 0.00 -1.45 -1.23 103.07 105.57 1cbg h GLY 172 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1cbg h GLY 172 CO 0.00 0.00 -0.52 1.29 0.00 0.00 0.00 176.54 177.31 1cbg h ASP 173 N 0.00 0.00 0.00 0.19 2.03 -1.86 -3.36 116.42 113.42 1cbg h ASP 173 Ca 0.11 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.17 1cbg h ASP 173 Cb 0.61 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.07 1cbg h ASP 173 CO -0.00 0.52 -1.90 0.54 -1.03 0.00 0.00 179.24 177.36 1cbg n ARG 174 N -3.80 0.84 -2.89 4.15 1.74 -0.77 -4.98 116.66 110.96 1cbg n ARG 174 Ca -0.01 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1cbg n ARG 174 Cb 0.55 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.62 1cbg n ARG 174 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1cbg s VAL 175 N -2.32 4.82 -1.13 1.55 1.01 -0.54 -4.94 120.40 118.86 1cbg s VAL 175 Ca -0.17 1.52 0.09 0.00 0.00 0.00 0.00 61.98 63.42 1cbg s VAL 175 Cb 0.05 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.39 1cbg s VAL 175 CO 0.41 -0.11 0.82 0.29 0.00 0.00 0.00 175.10 176.51 1cbg n LYS 176 N 6.06 0.45 -3.79 2.72 4.76 -1.26 -4.60 118.16 122.50 1cbg n LYS 176 Ca 0.05 -1.11 -0.29 0.00 -2.87 0.00 0.00 58.31 54.10 1cbg n LYS 176 Cb 0.48 -1.18 -0.16 0.00 -1.84 0.00 0.00 35.03 32.33 1cbg n LYS 176 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1cbg s HIS 177 N -0.78 1.54 0.01 2.13 3.76 -1.26 -0.59 115.29 120.09 1cbg s HIS 177 Ca 0.11 -1.29 0.05 0.00 -0.15 0.00 0.00 55.06 53.78 1cbg s HIS 177 Cb 0.08 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.41 1cbg s HIS 177 CO 0.12 -0.71 -0.15 -1.58 -0.85 0.00 0.00 174.74 171.57 1cbg s TRP 178 N 1.68 2.67 -0.17 1.40 0.52 -0.59 -2.18 118.94 122.27 1cbg s TRP 178 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 56.10 55.94 1cbg s TRP 178 Cb -0.18 -1.54 0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1cbg s TRP 178 CO -0.11 0.26 -0.10 0.42 0.02 0.00 0.00 176.95 177.44 1cbg s ILE 179 N -0.89 1.43 0.00 2.03 1.01 0.11 -1.49 121.20 123.41 1cbg s ILE 179 Ca 0.14 -0.76 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 1cbg s ILE 179 Cb -0.11 -1.49 -0.10 0.00 0.01 0.00 0.00 42.46 40.77 1cbg s ILE 179 CO 0.04 0.24 0.91 0.71 0.00 0.00 0.00 174.94 176.84 1cbg h THR 180 N 6.30 0.00 -3.33 2.92 1.35 -1.64 0.97 112.91 119.48 1cbg h THR 180 Ca -0.29 -0.27 -0.66 0.00 -0.55 0.00 0.00 66.41 64.63 1cbg h THR 180 Cb 1.11 0.00 -0.19 0.00 -1.73 0.00 0.00 68.15 67.34 1cbg h THR 180 CO 0.46 0.00 -0.83 -0.76 -0.25 0.00 0.00 175.52 174.14 1cbg s LEU 181 N -8.10 2.44 -0.24 3.87 1.43 -1.26 -1.99 118.68 114.83 1cbg s LEU 181 Ca -0.10 -0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1cbg s LEU 181 Cb 0.01 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 45.05 1cbg s LEU 181 CO 0.29 0.13 -0.08 0.21 0.23 0.00 0.00 176.35 177.13 1cbg s ASN 182 N -2.55 4.18 -0.69 2.29 2.47 -0.77 -1.73 114.94 118.13 1cbg s ASN 182 Ca 0.20 -0.86 -0.13 0.00 0.42 0.00 0.00 52.86 52.49 1cbg s ASN 182 Cb -0.08 -1.64 0.02 0.00 -1.45 0.00 0.00 41.25 38.10 1cbg s ASN 182 CO 0.09 -0.11 0.61 -0.62 -3.72 0.00 0.00 177.10 173.35 1cbg n GLU 183 N 4.65 -1.64 0.30 0.43 1.02 -0.55 -4.74 120.64 120.11 1cbg n GLU 183 Ca -0.17 0.94 0.17 0.00 -0.02 0.00 0.00 57.16 58.08 1cbg n GLU 183 Cb 0.47 -2.10 0.95 0.00 -0.02 0.00 0.00 31.44 30.74 1cbg n GLU 183 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1cbg h PRO 184 N 0.48 0.00 -0.22 3.49 0.13 -1.90 -2.15 132.00 131.82 1cbg h PRO 184 Ca -0.62 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.49 1cbg h PRO 184 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1cbg h PRO 184 CO 0.32 0.03 0.04 2.35 -0.23 0.00 0.00 178.00 180.51 1cbg h TRP 185 N 0.00 0.39 -0.22 1.56 7.01 -1.91 -2.12 115.95 120.67 1cbg h TRP 185 Ca -0.00 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 60.97 1cbg h TRP 185 Cb 0.10 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 1cbg h TRP 185 CO 0.00 0.49 0.08 0.78 -2.79 0.00 0.00 178.44 176.99 1cbg h GLY 186 N 0.18 0.26 0.97 2.65 0.00 -1.76 -0.31 103.07 105.06 1cbg h GLY 186 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1cbg h GLY 186 CO 0.00 0.03 -0.21 -2.08 0.00 0.00 0.00 176.54 174.28 1cbg h VAL 187 N 0.18 0.56 0.02 4.60 2.07 -1.55 -0.01 116.25 122.12 1cbg h VAL 187 Ca 0.09 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1cbg h VAL 187 Cb 0.06 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1cbg h VAL 187 CO -0.09 0.01 -0.22 0.28 0.02 0.00 0.00 177.57 177.57 1cbg h SER 188 N -0.64 -0.64 0.12 0.57 0.02 -1.25 -0.47 113.55 111.26 1cbg h SER 188 Ca -0.06 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1cbg h SER 188 Cb 0.48 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1cbg h SER 188 CO 0.10 -0.29 -0.06 0.24 -1.14 0.00 0.00 176.83 175.68 1cbg h MET 189 N -0.36 -0.15 0.01 3.45 2.86 -1.10 -2.80 114.93 116.84 1cbg h MET 189 Ca 0.05 0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.49 1cbg h MET 189 Cb 0.43 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 1cbg h MET 189 CO -0.19 0.33 -0.94 -0.91 1.06 0.00 0.00 176.91 176.26 1cbg h ASN 190 N -0.81 0.40 0.72 1.22 2.35 -1.06 0.01 115.58 118.42 1cbg h ASN 190 Ca -0.02 -0.33 -0.26 0.00 -0.55 0.00 0.00 56.30 55.14 1cbg h ASN 190 Cb 0.56 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1cbg h ASN 190 CO 0.03 1.14 -1.32 0.00 -1.65 0.00 0.00 177.43 175.63 1cbg h ALA 191 N 0.83 0.44 0.00 -0.83 0.00 -1.16 -0.63 119.26 117.90 1cbg h ALA 191 Ca -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1cbg h ALA 191 Cb 1.58 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1cbg h ALA 191 CO 0.15 1.30 -0.22 0.66 0.00 0.00 0.00 179.25 181.15 1cbg n TYR 192 N -3.30 0.00 -0.05 0.00 4.01 -1.06 -1.62 117.16 115.14 1cbg n TYR 192 Ca -0.09 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.60 1cbg n TYR 192 Cb 1.00 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.96 1cbg n TYR 192 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1cbg n ALA 193 N -1.11 1.77 -0.02 -0.72 0.00 -0.23 -4.13 120.51 116.07 1cbg n ALA 193 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 53.44 52.87 1cbg n ALA 193 Cb 0.03 0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1cbg n ALA 193 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cbg n TYR 194 N -2.50 0.00 -1.00 0.00 4.01 -0.18 -4.67 117.16 112.82 1cbg n TYR 194 Ca -0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1cbg n TYR 194 Cb 0.77 -0.24 -0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1cbg n TYR 194 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cbg n GLY 195 N 2.39 0.46 0.16 2.72 0.00 -0.59 -4.82 105.19 105.50 1cbg n GLY 195 Ca -0.06 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.60 1cbg n GLY 195 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cbg h THR 196 N 0.00 0.41 -2.48 2.61 1.35 -1.47 -3.39 112.91 109.94 1cbg h THR 196 Ca -0.00 -1.61 -0.56 0.00 -0.55 0.00 0.00 66.41 63.69 1cbg h THR 196 Cb 0.01 2.12 -0.08 0.00 -1.73 0.00 0.00 68.15 68.46 1cbg h THR 196 CO 0.00 0.23 -0.60 -0.36 -0.25 0.00 0.00 175.52 174.54 1cbg s PHE 197 N -3.09 2.92 0.25 4.73 0.08 -0.94 -4.66 117.98 117.28 1cbg s PHE 197 Ca 0.04 -0.13 -0.31 0.00 0.12 0.00 0.00 56.93 56.64 1cbg s PHE 197 Cb 0.07 -1.35 -0.12 0.00 -0.57 0.00 0.00 43.02 41.05 1cbg s PHE 197 CO 0.73 0.55 1.63 0.00 -0.10 0.00 0.00 175.22 178.03 1cbg n ALA 198 N -0.65 2.50 0.99 5.36 0.00 -1.26 0.97 120.51 128.42 1cbg n ALA 198 Ca -0.08 0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.79 1cbg n ALA 198 Cb 0.57 -2.47 0.13 0.00 0.00 0.00 0.00 19.45 17.68 1cbg n ALA 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cbg n PRO 199 N 2.84 1.76 -2.61 0.00 -0.04 -1.26 -4.76 135.00 130.94 1cbg n PRO 199 Ca 0.12 -1.02 -0.06 0.00 -0.04 0.00 0.00 63.50 62.50 1cbg n PRO 199 Cb 0.35 -1.30 0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1cbg n PRO 199 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cbg n GLY 200 N 0.83 0.27 3.86 0.55 0.00 0.27 -4.75 105.19 106.23 1cbg n GLY 200 Ca 0.09 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1cbg n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cbg s ARG 201 N -4.79 3.20 -0.07 1.61 0.52 -0.64 -1.20 118.95 117.58 1cbg s ARG 201 Ca 0.07 -0.57 -0.32 0.00 -0.52 0.00 0.00 55.73 54.39 1cbg s ARG 201 Cb -0.03 -2.90 0.12 0.00 0.52 0.00 0.00 34.95 32.67 1cbg s ARG 201 CO 0.24 0.58 1.24 0.00 0.02 0.00 0.00 175.30 177.38 1cbg s SER 203 N -2.69 6.68 0.32 0.00 0.01 -1.26 -3.60 113.70 113.15 1cbg s SER 203 Ca 0.12 2.55 0.05 0.00 1.31 0.00 0.00 55.95 59.99 1cbg s SER 203 Cb 0.02 -2.60 0.69 0.00 0.21 0.00 0.00 66.02 64.34 1cbg s SER 203 CO -0.04 -0.73 1.84 -2.24 0.41 0.00 0.00 173.24 172.49 1cbg h ASP 204 N 6.14 0.79 0.35 2.44 2.03 -1.91 -2.64 116.42 123.64 1cbg h ASP 204 Ca -0.44 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1cbg h ASP 204 Cb 1.21 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1cbg h ASP 204 CO 0.85 0.40 0.00 4.11 -1.03 0.00 0.00 179.24 183.57 1cbg h TRP 205 N 0.84 0.00 0.00 4.15 5.08 -1.98 -2.91 115.95 121.13 1cbg h TRP 205 Ca 0.49 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.45 1cbg h TRP 205 Cb 0.64 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.80 1cbg h TRP 205 CO -0.00 0.00 -0.06 -0.07 -1.28 0.00 0.00 178.44 177.03 1cbg h LEU 206 N 0.00 0.00 -2.12 0.11 3.38 -1.87 -3.48 115.31 111.34 1cbg h LEU 206 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1cbg h LEU 206 Cb 0.18 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.06 1cbg h LEU 206 CO 0.00 0.06 -0.84 0.29 0.09 0.00 0.00 178.44 178.04 1cbg n LYS 207 N -3.15 -4.16 -0.20 1.13 4.76 -1.10 -4.93 118.16 110.52 1cbg n LYS 207 Ca 0.01 0.73 0.06 0.00 -2.87 0.00 0.00 58.31 56.24 1cbg n LYS 207 Cb 0.39 -5.40 0.15 0.00 -1.84 0.00 0.00 35.03 28.33 1cbg n LYS 207 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1cbg n LEU 208 N -3.94 2.93 -3.46 -0.35 4.77 -1.26 -5.00 117.00 110.69 1cbg n LEU 208 Ca -0.21 -2.29 -0.23 0.00 -0.03 0.00 0.00 56.01 53.25 1cbg n LEU 208 Cb 0.65 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1cbg n LEU 208 CO 0.64 0.68 -0.02 0.59 -1.33 0.00 0.00 177.39 177.94 1cbg n ASN 209 N -0.02 -6.04 -4.95 -1.43 3.02 -1.26 -4.97 115.26 99.61 1cbg n ASN 209 Ca 0.12 -0.86 -0.23 0.00 -0.03 0.00 0.00 54.58 53.58 1cbg n ASN 209 Cb 0.51 -4.33 0.01 0.00 -0.61 0.00 0.00 39.78 35.36 1cbg n ASN 209 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cbg n THR 211 N -2.11 1.69 0.00 0.00 -2.24 -0.34 -4.94 114.28 106.33 1cbg n THR 211 Ca 0.02 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1cbg n THR 211 Cb 0.58 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1cbg n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cbg n GLY 212 N 0.19 1.19 0.00 3.38 0.00 -1.26 -4.92 105.19 103.77 1cbg n GLY 212 Ca 0.19 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1cbg n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cbg n GLY 213 N -0.85 0.58 3.15 -0.02 0.00 -1.24 -1.33 105.19 105.49 1cbg n GLY 213 Ca 0.00 -2.21 0.04 0.00 0.00 0.00 0.00 46.02 43.85 1cbg n GLY 213 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cbg s ASP 214 N -2.74 -1.49 0.16 1.61 -1.08 -1.26 -4.31 116.67 107.57 1cbg s ASP 214 Ca 0.00 0.60 0.21 0.00 -0.52 0.00 0.00 52.55 52.84 1cbg s ASP 214 Cb 0.00 2.12 0.87 0.00 -1.46 0.00 0.00 42.92 44.45 1cbg s ASP 214 CO 0.00 -0.28 1.65 -1.20 0.52 0.00 0.00 175.17 175.87 1cbg n SER 215 N 5.43 0.45 0.02 -0.34 7.64 -1.26 -1.45 113.62 124.11 1cbg n SER 215 Ca 0.01 0.60 0.11 0.00 1.01 0.00 0.00 58.87 60.61 1cbg n SER 215 Cb 0.52 -0.70 0.10 0.00 -1.01 0.00 0.00 64.21 63.12 1cbg n SER 215 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cbg n GLY 216 N 0.18 -1.24 1.31 0.23 0.00 -1.24 -1.36 105.19 103.07 1cbg n GLY 216 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1cbg n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cbg n ARG 217 N -1.83 0.00 -0.23 1.61 1.74 -1.10 -4.75 116.66 112.10 1cbg n ARG 217 Ca 0.03 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.12 1cbg n ARG 217 Cb 0.40 -0.35 0.12 0.00 -1.02 0.00 0.00 32.46 31.62 1cbg n ARG 217 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1cbg h GLU 218 N 0.00 0.55 -0.98 5.56 5.08 -1.54 -2.74 114.58 120.51 1cbg h GLU 218 Ca 0.00 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1cbg h GLU 218 Cb 0.47 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.51 1cbg h GLU 218 CO 0.00 0.37 0.61 -1.35 -1.00 0.00 0.00 179.01 177.64 1cbg h PRO 219 N 0.57 0.90 -0.37 2.33 0.11 -1.78 -0.58 132.00 133.19 1cbg h PRO 219 Ca 0.33 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.27 1cbg h PRO 219 Cb 0.34 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1cbg h PRO 219 CO -0.26 0.60 -0.23 1.88 -0.21 0.00 0.00 178.00 179.78 1cbg h TYR 220 N 0.93 0.82 -0.03 0.65 0.05 -1.84 -2.37 116.97 115.19 1cbg h TYR 220 Ca 0.50 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 59.09 1cbg h TYR 220 Cb 0.55 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.09 1cbg h TYR 220 CO -0.01 0.89 -0.01 -0.07 -1.05 0.00 0.00 178.16 177.91 1cbg h LEU 221 N 0.64 0.05 -0.69 3.88 3.38 -1.23 -2.48 115.31 118.86 1cbg h LEU 221 Ca 0.09 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1cbg h LEU 221 Cb 0.72 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1cbg h LEU 221 CO 0.06 0.43 0.46 0.00 0.09 0.00 0.00 178.44 179.47 1cbg h ALA 222 N 0.62 0.88 -0.58 1.53 0.00 -1.16 -2.30 119.26 118.25 1cbg h ALA 222 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1cbg h ALA 222 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1cbg h ALA 222 CO 0.00 0.31 0.03 0.00 0.00 0.00 0.00 179.25 179.59 1cbg h ALA 223 N 1.25 0.95 0.04 0.00 0.00 -1.44 -2.45 119.26 117.61 1cbg h ALA 223 Ca 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cbg h ALA 223 Cb -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1cbg h ALA 223 CO -0.05 0.64 -0.02 1.25 0.00 0.00 0.00 179.25 181.07 1cbg h HIS 224 N 0.91 -0.05 -0.06 0.00 6.17 -1.28 -2.20 115.15 118.64 1cbg h HIS 224 Ca 0.17 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.14 1cbg h HIS 224 Cb 0.49 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.43 1cbg h HIS 224 CO 0.03 0.12 -0.46 1.88 0.71 0.00 0.00 177.93 180.21 1cbg h TYR 225 N -0.20 0.17 -0.30 5.26 0.05 -1.45 -2.37 116.97 118.14 1cbg h TYR 225 Ca -0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1cbg h TYR 225 Cb 0.18 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1cbg h TYR 225 CO -0.02 0.58 0.16 1.96 -1.05 0.00 0.00 178.16 179.79 1cbg h GLN 226 N 0.12 0.42 -0.78 4.88 4.20 -1.39 -0.33 115.11 122.23 1cbg h GLN 226 Ca 0.01 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1cbg h GLN 226 Cb 0.87 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1cbg h GLN 226 CO 0.07 0.37 0.32 -0.07 -0.67 0.00 0.00 178.83 178.85 1cbg h LEU 227 N 0.36 1.08 -0.52 1.46 3.38 -1.14 -1.81 115.31 118.11 1cbg h LEU 227 Ca 0.10 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1cbg h LEU 227 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1cbg h LEU 227 CO -0.02 0.95 -0.04 -0.07 0.09 0.00 0.00 178.44 179.35 1cbg h LEU 228 N 1.13 0.94 -0.63 1.67 3.38 -1.21 -1.82 115.31 118.76 1cbg h LEU 228 Ca 0.26 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1cbg h LEU 228 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1cbg h LEU 228 CO -0.02 1.04 0.34 0.00 0.09 0.00 0.00 178.44 179.89 1cbg h ALA 229 N 0.93 0.81 0.36 1.53 0.00 -0.86 -2.08 119.26 119.94 1cbg h ALA 229 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1cbg h ALA 229 Cb 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1cbg h ALA 229 CO 0.03 0.32 -0.17 1.25 0.00 0.00 0.00 179.25 180.69 1cbg h HIS 230 N 0.86 -0.44 -0.64 0.00 -0.00 -1.20 -2.44 115.15 111.28 1cbg h HIS 230 Ca 0.22 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.67 1cbg h HIS 230 Cb 0.04 0.15 -0.07 0.00 -0.00 0.00 0.00 27.41 27.53 1cbg h HIS 230 CO -0.01 -0.26 0.27 0.00 -0.00 0.00 0.00 177.93 177.93 1cbg h ALA 231 N 0.14 0.85 -0.21 5.26 0.00 -1.15 0.33 119.26 124.48 1cbg h ALA 231 Ca -0.05 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1cbg h ALA 231 Cb 0.38 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1cbg h ALA 231 CO 0.08 -0.15 0.09 0.00 0.00 0.00 0.00 179.25 179.27 1cbg h ALA 232 N 1.42 0.24 -0.42 0.00 0.00 -1.30 -0.58 119.26 118.62 1cbg h ALA 232 Ca 0.32 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 1cbg h ALA 232 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1cbg h ALA 232 CO -0.29 -0.33 -0.32 0.00 0.00 0.00 0.00 179.25 178.31 1cbg h ALA 233 N 1.12 0.63 -0.31 0.00 0.00 -1.01 -2.63 119.26 117.06 1cbg h ALA 233 Ca 0.09 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1cbg h ALA 233 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1cbg h ALA 233 CO -0.07 0.68 -0.40 0.00 0.00 0.00 0.00 179.25 179.45 1cbg h ALA 234 N 0.82 0.70 -0.15 0.00 0.00 -0.84 -2.65 119.26 117.15 1cbg h ALA 234 Ca 0.08 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 1cbg h ALA 234 Cb 0.91 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1cbg h ALA 234 CO 0.08 0.66 -0.65 0.00 0.00 0.00 0.00 179.25 179.35 1cbg h ARG 235 N 0.62 0.55 0.07 0.00 2.47 -1.12 -2.72 114.38 114.25 1cbg h ARG 235 Ca 0.05 -0.39 -0.00 0.00 -1.26 0.00 0.00 59.98 58.38 1cbg h ARG 235 Cb 0.95 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1cbg h ARG 235 CO 0.09 1.01 -0.05 1.25 0.56 0.00 0.00 179.97 182.83 1cbg h LEU 236 N 0.40 -0.13 0.01 3.04 5.85 -1.48 -1.28 115.31 121.72 1cbg h LEU 236 Ca -0.01 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1cbg h LEU 236 Cb 1.21 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1cbg h LEU 236 CO 0.12 -0.08 -0.14 0.22 -0.34 0.00 0.00 178.44 178.22 1cbg h TYR 237 N -0.12 -0.36 -0.71 1.25 3.20 -1.45 -1.19 116.97 117.58 1cbg h TYR 237 Ca -0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1cbg h TYR 237 Cb 0.11 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1cbg h TYR 237 CO -0.09 -0.21 0.17 0.87 -1.64 0.00 0.00 178.16 177.27 1cbg h LYS 238 N -0.24 1.14 0.00 1.82 1.57 -1.42 0.15 116.57 119.60 1cbg h LYS 238 Ca 0.05 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1cbg h LYS 238 Cb 0.29 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1cbg h LYS 238 CO -0.13 1.01 -0.52 1.79 -0.57 0.00 0.00 179.45 181.03 1cbg h THR 239 N 1.08 0.35 0.00 -0.16 1.35 -1.18 -3.39 112.91 110.96 1cbg h THR 239 Ca 0.22 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1cbg h THR 239 Cb 0.38 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1cbg h THR 239 CO 0.00 0.20 -0.79 1.17 -0.25 0.00 0.00 175.52 175.85 1cbg n LYS 240 N -3.04 2.34 -0.01 4.72 4.81 -0.45 -4.93 118.16 121.59 1cbg n LYS 240 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1cbg n LYS 240 Cb 0.64 -0.89 -0.04 0.00 0.02 0.00 0.00 35.03 34.76 1cbg n LYS 240 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1cbg n TYR 241 N -1.47 0.00 -0.12 5.64 4.01 -0.54 -4.79 117.16 119.90 1cbg n TYR 241 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1cbg n TYR 241 Cb 0.22 -0.15 0.22 0.00 -0.31 0.00 0.00 39.34 39.33 1cbg n TYR 241 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1cbg h GLN 242 N 0.00 0.80 0.00 -0.72 4.15 -0.95 -0.84 115.11 117.55 1cbg h GLN 242 Ca -0.05 -0.14 -0.06 0.00 0.77 0.00 0.00 58.65 59.17 1cbg h GLN 242 Cb 0.67 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1cbg h GLN 242 CO 0.00 0.69 -0.27 0.00 -1.93 0.00 0.00 178.83 177.33 1cbg h ALA 243 N 1.41 1.20 0.00 3.38 0.00 -1.85 -2.09 119.26 121.30 1cbg h ALA 243 Ca 0.18 -0.24 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 1cbg h ALA 243 Cb 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1cbg h ALA 243 CO -0.01 0.34 -2.29 -1.13 0.00 0.00 0.00 179.25 176.16 1cbg n SER 244 N -3.70 0.93 0.07 0.00 3.41 -1.18 -4.64 113.62 108.51 1cbg n SER 244 Ca -0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1cbg n SER 244 Cb 0.38 0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 64.86 1cbg n SER 244 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1cbg h GLN 245 N 0.00 0.00 -5.88 4.33 4.20 -1.20 -3.49 115.11 113.07 1cbg h GLN 245 Ca -0.51 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 57.81 1cbg h GLN 245 Cb 2.05 0.00 0.12 0.00 0.30 0.00 0.00 27.48 29.95 1cbg h GLN 245 CO -0.00 0.38 -0.72 0.09 -0.67 0.00 0.00 178.83 177.91 1cbg n ASN 246 N -3.01 -4.88 -2.68 1.46 3.02 -0.79 -4.95 115.26 103.44 1cbg n ASN 246 Ca -0.06 -0.61 -0.07 0.00 -0.03 0.00 0.00 54.58 53.81 1cbg n ASN 246 Cb 0.81 -4.85 -0.01 0.00 -0.61 0.00 0.00 39.78 35.12 1cbg n ASN 246 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cbg n GLY 247 N -1.75 3.63 3.13 7.41 0.00 -1.26 -4.99 105.19 111.36 1cbg n GLY 247 Ca -0.07 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.58 1cbg n GLY 247 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1cbg s ILE 248 N -1.15 0.75 0.01 -0.61 -4.36 0.24 -4.95 121.20 111.12 1cbg s ILE 248 Ca 0.03 -1.43 0.04 0.00 -0.26 0.00 0.00 60.65 59.03 1cbg s ILE 248 Cb -0.00 -1.08 -0.01 0.00 1.25 0.00 0.00 42.46 42.62 1cbg s ILE 248 CO 0.02 -0.51 -0.12 -0.51 0.24 0.00 0.00 174.94 174.06 1cbg s ILE 249 N -2.09 0.98 0.00 8.37 2.07 -1.26 -1.55 121.20 127.72 1cbg s ILE 249 Ca -0.01 -0.67 0.00 0.00 -1.41 0.00 0.00 60.65 58.57 1cbg s ILE 249 Cb -0.05 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.70 1cbg s ILE 249 CO -0.00 0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 1cbg n GLY 250 N 2.49 3.81 3.07 1.50 0.00 -0.55 0.77 105.19 116.28 1cbg n GLY 250 Ca -0.15 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 1cbg n GLY 250 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1cbg s ILE 251 N -2.12 0.05 -0.29 -0.61 2.07 -1.24 -1.88 121.20 117.18 1cbg s ILE 251 Ca 0.00 -0.41 -0.10 0.00 -1.41 0.00 0.00 60.65 58.73 1cbg s ILE 251 Cb 0.00 -0.34 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 1cbg s ILE 251 CO 0.00 -0.23 0.15 -0.89 -1.91 0.00 0.00 174.94 172.06 1cbg s THR 252 N -0.78 4.81 0.06 4.00 2.01 -0.71 -0.84 115.64 124.19 1cbg s THR 252 Ca -0.09 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 61.83 1cbg s THR 252 Cb -0.05 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1cbg s THR 252 CO 0.01 0.19 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.23 1cbg s LEU 253 N 1.67 2.85 -0.04 4.42 1.43 0.01 -1.48 118.68 127.53 1cbg s LEU 253 Ca 0.06 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1cbg s LEU 253 Cb -0.16 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1cbg s LEU 253 CO 0.07 0.23 -0.04 0.54 0.23 0.00 0.00 176.35 177.38 1cbg s VAL 254 N -1.04 3.87 -0.12 -1.59 0.11 -1.26 -0.81 120.40 119.56 1cbg s VAL 254 Ca 0.17 -0.53 -0.23 0.00 -2.93 0.00 0.00 61.98 58.46 1cbg s VAL 254 Cb -0.11 -2.64 0.06 0.00 -1.53 0.00 0.00 36.38 32.16 1cbg s VAL 254 CO 0.08 0.51 0.57 -0.55 -3.33 0.00 0.00 175.10 172.39 1cbg s SER 255 N -1.09 -0.56 0.38 3.54 0.15 -0.99 -4.62 113.70 110.51 1cbg s SER 255 Ca 0.15 0.82 0.07 0.00 0.70 0.00 0.00 55.95 57.68 1cbg s SER 255 Cb -0.11 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1cbg s SER 255 CO 0.04 -0.40 0.53 -1.00 1.20 0.00 0.00 173.24 173.61 1cbg s HIS 256 N -0.55 2.97 -0.12 3.44 3.76 -1.26 -4.45 115.29 119.09 1cbg s HIS 256 Ca -0.07 -0.28 -0.09 0.00 -0.15 0.00 0.00 55.06 54.47 1cbg s HIS 256 Cb -0.03 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 1cbg s HIS 256 CO 0.05 -0.23 0.19 -0.46 -0.85 0.00 0.00 174.74 173.44 1cbg s TRP 257 N -2.28 3.58 -0.27 1.40 -0.11 -1.08 -4.96 118.94 115.21 1cbg s TRP 257 Ca 0.50 0.57 -0.02 0.00 1.22 0.00 0.00 56.10 58.36 1cbg s TRP 257 Cb -0.10 -2.06 0.03 0.00 -1.50 0.00 0.00 33.47 29.85 1cbg s TRP 257 CO 0.32 0.62 -0.02 -0.06 -4.62 0.00 0.00 176.95 173.19 1cbg s PHE 258 N -0.70 3.15 -0.22 5.86 0.08 -1.26 -1.57 117.98 123.32 1cbg s PHE 258 Ca 0.15 -1.60 -0.09 0.00 0.12 0.00 0.00 56.93 55.50 1cbg s PHE 258 Cb -0.13 -2.10 -0.05 0.00 -0.57 0.00 0.00 43.02 40.18 1cbg s PHE 258 CO 0.04 -0.74 0.12 -2.00 -0.10 0.00 0.00 175.22 172.55 1cbg s GLU 259 N 1.32 4.02 0.26 0.44 2.56 0.13 -4.85 118.70 122.59 1cbg s GLU 259 Ca -0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 54.97 54.35 1cbg s GLU 259 Cb -0.18 -3.42 -0.13 0.00 2.00 0.00 0.00 34.13 32.40 1cbg s GLU 259 CO -0.02 0.12 1.40 -2.30 -0.56 0.00 0.00 175.26 173.90 1cbg n PRO 260 N 4.05 2.11 -0.27 4.30 -0.02 -1.26 -0.10 135.00 143.82 1cbg n PRO 260 Ca -0.16 0.75 -0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1cbg n PRO 260 Cb 0.52 -2.40 0.09 0.00 -0.02 0.00 0.00 33.50 31.68 1cbg n PRO 260 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cbg h ALA 261 N 3.95 1.07 -3.57 3.55 0.00 -1.36 -3.44 119.26 119.45 1cbg h ALA 261 Ca -0.45 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 1cbg h ALA 261 Cb 1.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1cbg h ALA 261 CO 0.73 0.65 -0.15 -1.13 0.00 0.00 0.00 179.25 179.36 1cbg n SER 262 N -4.27 -0.32 0.07 0.00 3.41 -1.26 -5.00 113.62 106.25 1cbg n SER 262 Ca 0.07 -1.80 0.12 0.00 -0.26 0.00 0.00 58.87 57.00 1cbg n SER 262 Cb 0.20 0.71 0.22 0.00 -0.26 0.00 0.00 64.21 65.08 1cbg n SER 262 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1cbg n LYS 263 N -0.23 0.29 -1.54 4.33 5.02 -1.26 -4.48 118.16 120.29 1cbg n LYS 263 Ca 0.02 0.12 -0.40 0.00 -2.02 0.00 0.00 58.31 56.03 1cbg n LYS 263 Cb 0.23 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.54 1cbg n LYS 263 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cbg n GLU 264 N -2.16 0.87 -0.35 1.97 1.02 -1.26 -4.75 120.64 115.99 1cbg n GLU 264 Ca 0.04 0.32 -0.03 0.00 -0.02 0.00 0.00 57.16 57.47 1cbg n GLU 264 Cb 0.44 -1.85 0.09 0.00 -0.02 0.00 0.00 31.44 30.10 1cbg n GLU 264 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1cbg h LYS 265 N 0.85 1.25 -0.79 3.49 3.64 -1.98 -0.61 116.57 122.41 1cbg h LYS 265 Ca -0.44 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1cbg h LYS 265 Cb 1.37 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1cbg h LYS 265 CO 0.52 0.87 0.51 0.00 -2.27 0.00 0.00 179.45 179.08 1cbg h ALA 266 N 1.31 1.41 0.09 5.00 0.00 -1.98 0.12 119.26 125.22 1cbg h ALA 266 Ca 0.33 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.92 1cbg h ALA 266 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1cbg h ALA 266 CO -0.06 0.54 -1.15 -0.44 0.00 0.00 0.00 179.25 178.13 1cbg h ASP 267 N 1.08 0.37 -0.25 0.00 3.32 -1.75 -2.38 116.42 116.80 1cbg h ASP 267 Ca 0.29 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1cbg h ASP 267 Cb -0.10 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1cbg h ASP 267 CO -0.06 1.27 -0.00 0.58 -1.72 0.00 0.00 179.24 179.31 1cbg h VAL 268 N 0.08 1.26 -0.10 -1.35 2.07 -0.70 -2.87 116.25 114.64 1cbg h VAL 268 Ca -0.11 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 1cbg h VAL 268 Cb 1.87 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1cbg h VAL 268 CO 0.19 0.29 -0.29 0.44 0.02 0.00 0.00 177.57 178.21 1cbg h ASP 269 N 0.23 0.17 -0.43 0.57 3.32 -0.84 -3.10 116.42 116.34 1cbg h ASP 269 Ca 0.07 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1cbg h ASP 269 Cb 0.42 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1cbg h ASP 269 CO 0.01 0.47 -0.18 0.00 -1.72 0.00 0.00 179.24 177.82 1cbg h ALA 270 N 1.55 0.60 -0.74 3.45 0.00 -1.28 -2.61 119.26 120.22 1cbg h ALA 270 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1cbg h ALA 270 Cb 0.60 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1cbg h ALA 270 CO 0.04 0.55 0.40 0.00 0.00 0.00 0.00 179.25 180.24 1cbg h ALA 271 N 0.84 0.95 -0.57 0.00 0.00 -1.45 -2.02 119.26 117.00 1cbg h ALA 271 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1cbg h ALA 271 Cb 0.74 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1cbg h ALA 271 CO 0.06 0.47 0.30 0.87 0.00 0.00 0.00 179.25 180.95 1cbg h LYS 272 N 1.02 0.79 -0.23 0.00 1.57 -1.53 -2.39 116.57 115.82 1cbg h LYS 272 Ca 0.26 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1cbg h LYS 272 Cb 0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1cbg h LYS 272 CO -0.04 0.61 -0.18 0.00 -0.57 0.00 0.00 179.45 179.27 1cbg h ARG 273 N 0.76 0.39 -0.11 3.15 3.08 -1.17 -1.21 114.38 119.28 1cbg h ARG 273 Ca 0.20 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1cbg h ARG 273 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1cbg h ARG 273 CO -0.03 0.57 0.06 0.78 -1.07 0.00 0.00 179.97 180.28 1cbg h GLY 274 N 0.94 0.16 1.07 0.04 0.00 -1.03 0.63 103.07 104.88 1cbg h GLY 274 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1cbg h GLY 274 CO 0.03 0.06 -0.03 1.41 0.00 0.00 0.00 176.54 178.02 1cbg h LEU 275 N 0.11 1.01 -0.46 3.11 3.38 -1.19 -2.00 115.31 119.27 1cbg h LEU 275 Ca 0.04 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1cbg h LEU 275 Cb 0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1cbg h LEU 275 CO -0.01 1.09 0.14 0.44 0.09 0.00 0.00 178.44 180.18 1cbg h ASP 276 N 0.91 0.68 1.75 -0.43 3.32 -1.04 0.44 116.42 122.05 1cbg h ASP 276 Ca 0.16 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1cbg h ASP 276 Cb 0.59 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1cbg h ASP 276 CO 0.04 0.71 0.00 -0.26 -1.72 0.00 0.00 179.24 178.01 1cbg h PHE 277 N 0.61 0.00 0.00 4.55 -1.00 -0.83 -1.39 116.94 118.89 1cbg h PHE 277 Ca 0.15 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.79 1cbg h PHE 277 Cb 0.28 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1cbg h PHE 277 CO 0.02 0.00 -1.43 -0.12 -1.61 0.00 0.00 178.31 175.17 1cbg n MET 278 N -2.87 0.52 -0.08 1.51 1.56 -0.76 -4.58 117.12 112.43 1cbg n MET 278 Ca 0.04 0.21 -0.21 0.00 -0.27 0.00 0.00 57.70 57.47 1cbg n MET 278 Cb 0.48 -1.40 -0.12 0.00 2.15 0.00 0.00 33.22 34.32 1cbg n MET 278 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1cbg h LEU 279 N -0.95 0.09 -1.42 -0.89 5.85 -1.15 -3.40 115.31 113.43 1cbg h LEU 279 Ca -0.21 -0.64 0.11 0.00 0.84 0.00 0.00 57.88 57.98 1cbg h LEU 279 Cb 1.15 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1cbg h LEU 279 CO -0.13 1.50 0.50 1.23 -0.34 0.00 0.00 178.44 181.21 1cbg h GLY 280 N -0.65 0.93 -0.46 3.75 0.00 -1.19 -1.80 103.07 103.65 1cbg h GLY 280 Ca -0.32 -0.26 0.22 0.00 0.00 0.00 0.00 47.33 46.97 1cbg h GLY 280 CO -0.13 0.14 0.17 -0.25 0.00 0.00 0.00 176.54 176.47 1cbg h TRP 281 N 0.62 0.24 0.01 5.60 7.01 -1.46 -0.59 115.95 127.38 1cbg h TRP 281 Ca 0.36 0.05 -0.39 0.00 2.11 0.00 0.00 58.89 61.02 1cbg h TRP 281 Cb 0.55 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.58 1cbg h TRP 281 CO -0.00 -0.23 -2.42 1.19 -2.79 0.00 0.00 178.44 174.19 1cbg n PHE 282 N -5.27 0.15 0.12 2.65 3.72 -1.09 -4.57 117.46 113.17 1cbg n PHE 282 Ca 0.20 0.03 -0.03 0.00 -0.05 0.00 0.00 57.45 57.60 1cbg n PHE 282 Cb 0.64 -1.02 0.15 0.00 -0.94 0.00 0.00 39.48 38.31 1cbg n PHE 282 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1cbg h MET 283 N -0.04 0.09 0.57 -1.08 2.86 -1.23 -2.88 114.93 113.22 1cbg h MET 283 Ca -0.57 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 56.98 1cbg h MET 283 Cb 1.90 0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.58 1cbg h MET 283 CO -0.09 0.69 -0.28 0.45 1.06 0.00 0.00 176.91 178.74 1cbg h HIS 284 N 0.07 -0.72 -0.77 -0.22 3.86 -1.36 -2.25 115.15 113.77 1cbg h HIS 284 Ca -0.01 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.27 1cbg h HIS 284 Cb 1.12 0.24 -0.07 0.00 1.06 0.00 0.00 27.41 29.76 1cbg h HIS 284 CO 0.01 -0.41 0.43 -1.35 0.86 0.00 0.00 177.93 177.47 1cbg h PRO 285 N -0.87 0.72 0.00 2.45 0.11 -1.53 0.62 132.00 133.50 1cbg h PRO 285 Ca -0.08 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 1cbg h PRO 285 Cb 0.63 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1cbg h PRO 285 CO 0.13 0.48 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.19 1cbg h LEU 286 N 0.74 0.00 0.00 2.35 3.38 -1.45 -0.77 115.31 119.56 1cbg h LEU 286 Ca 0.36 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 1cbg h LEU 286 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1cbg h LEU 286 CO -0.23 0.14 -1.52 0.35 0.09 0.00 0.00 178.44 177.27 1cbg n THR 287 N -3.85 0.36 -0.05 0.22 -2.24 -0.85 -0.28 114.28 107.60 1cbg n THR 287 Ca -0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1cbg n THR 287 Cb 0.24 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1cbg n THR 287 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1cbg n LYS 288 N -2.13 3.68 -2.13 -0.78 5.02 0.21 -4.56 118.16 117.48 1cbg n LYS 288 Ca -0.09 -0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.05 1cbg n LYS 288 Cb 0.58 -0.37 -0.01 0.00 -0.02 0.00 0.00 35.03 35.20 1cbg n LYS 288 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cbg n GLY 289 N 0.54 0.04 3.47 0.72 0.00 -0.30 -4.93 105.19 104.73 1cbg n GLY 289 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 1cbg n GLY 289 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cbg s ARG 290 N -4.39 1.16 0.67 1.61 1.70 -1.26 -4.70 118.95 113.73 1cbg s ARG 290 Ca 0.00 -0.08 -0.12 0.00 -0.47 0.00 0.00 55.73 55.06 1cbg s ARG 290 Cb 0.00 0.54 -0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1cbg s ARG 290 CO 0.00 -0.43 1.06 0.71 -1.08 0.00 0.00 175.30 175.56 1cbg s TYR 291 N -2.35 3.04 0.70 5.89 2.02 -1.26 -2.36 117.35 123.03 1cbg s TYR 291 Ca -0.06 1.46 -0.16 0.00 -0.37 0.00 0.00 57.07 57.94 1cbg s TYR 291 Cb -0.00 -2.93 0.01 0.00 -0.40 0.00 0.00 41.96 38.64 1cbg s TYR 291 CO -0.00 -1.23 1.16 -2.30 -1.57 0.00 0.00 175.55 171.61 1cbg n PRO 292 N -2.79 0.72 -0.04 -1.71 -0.02 -1.26 -4.82 135.00 125.07 1cbg n PRO 292 Ca 0.08 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.78 1cbg n PRO 292 Cb 0.53 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1cbg n PRO 292 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1cbg h GLU 293 N -0.02 0.07 -0.87 -0.52 4.81 -1.99 -2.56 114.58 113.50 1cbg h GLU 293 Ca -0.49 -0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.91 1cbg h GLU 293 Cb 1.33 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.59 1cbg h GLU 293 CO 0.49 0.05 0.44 0.66 -0.73 0.00 0.00 179.01 179.92 1cbg h SER 294 N 0.08 0.50 -0.45 1.04 4.64 -1.99 0.10 113.55 117.48 1cbg h SER 294 Ca 0.09 0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 1cbg h SER 294 Cb 0.11 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1cbg h SER 294 CO -0.15 0.17 -0.03 0.24 -0.87 0.00 0.00 176.83 176.20 1cbg h MET 295 N 0.58 0.81 -0.69 4.77 2.86 -1.88 -1.67 114.93 119.72 1cbg h MET 295 Ca 0.50 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1cbg h MET 295 Cb 0.77 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1cbg h MET 295 CO -0.40 0.89 0.32 0.00 1.06 0.00 0.00 176.91 178.77 1cbg h ARG 296 N 0.66 1.00 -0.21 1.72 3.08 -0.70 0.58 114.38 120.50 1cbg h ARG 296 Ca 0.12 -0.16 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 1cbg h ARG 296 Cb 0.54 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1cbg h ARG 296 CO 0.03 0.80 -0.57 -0.92 -1.07 0.00 0.00 179.97 178.24 1cbg h TYR 297 N 0.96 0.98 0.00 3.04 3.20 -0.85 -2.29 116.97 122.00 1cbg h TYR 297 Ca 0.23 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1cbg h TYR 297 Cb 0.14 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1cbg h TYR 297 CO 0.01 1.19 -1.21 1.28 -1.64 0.00 0.00 178.16 177.79 1cbg n LEU 298 N -4.08 0.62 -0.07 2.82 4.77 -0.63 -4.36 117.00 116.07 1cbg n LEU 298 Ca -0.06 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1cbg n LEU 298 Cb 0.63 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 1cbg n LEU 298 CO 0.49 -0.11 -0.99 0.52 -1.33 0.00 0.00 177.39 175.98 1cbg n VAL 299 N -2.46 0.92 0.00 4.08 0.31 0.19 -5.00 118.33 116.38 1cbg n VAL 299 Ca -0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1cbg n VAL 299 Cb 0.53 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1cbg n VAL 299 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1cbg n ARG 300 N -2.53 0.00 -0.29 5.55 1.74 -0.86 -2.30 116.66 117.97 1cbg n ARG 300 Ca -0.23 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1cbg n ARG 300 Cb 0.94 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 32.70 1cbg n ARG 300 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1cbg h LYS 301 N 0.00 0.78 0.00 5.56 1.57 -1.96 -2.87 116.57 119.65 1cbg h LYS 301 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1cbg h LYS 301 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1cbg h LYS 301 CO 0.00 0.52 0.00 0.54 -0.57 0.00 0.00 179.45 179.94 1cbg n ARG 302 N -4.56 0.02 -3.27 3.15 1.74 -0.97 -4.59 116.66 108.18 1cbg n ARG 302 Ca 0.17 0.26 -0.41 0.00 -0.77 0.00 0.00 57.85 57.10 1cbg n ARG 302 Cb 0.39 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.25 1cbg n ARG 302 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1cbg s LEU 303 N -2.95 4.28 1.00 0.55 2.96 -1.08 -4.89 118.68 118.55 1cbg s LEU 303 Ca 0.07 0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.94 1cbg s LEU 303 Cb 0.08 -2.56 0.17 0.00 0.50 0.00 0.00 46.19 44.38 1cbg s LEU 303 CO 0.23 -0.41 0.98 -2.65 -1.32 0.00 0.00 176.35 173.18 1cbg n PRO 304 N 5.64 -1.00 -4.77 0.98 -0.02 -1.26 -4.96 135.00 129.61 1cbg n PRO 304 Ca -0.05 -0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 60.88 1cbg n PRO 304 Cb 0.49 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.60 1cbg n PRO 304 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1cbg s LYS 305 N -4.41 1.91 0.18 -0.52 1.02 -1.26 -5.02 119.74 111.64 1cbg s LYS 305 Ca 0.66 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 55.47 1cbg s LYS 305 Cb -0.23 -2.07 -0.07 0.00 -0.52 0.00 0.00 37.83 34.94 1cbg s LYS 305 CO 0.61 0.52 0.54 -0.06 -0.92 0.00 0.00 175.35 176.04 1cbg s PHE 306 N -0.87 3.52 0.88 3.18 0.08 -1.26 -5.09 117.98 118.41 1cbg s PHE 306 Ca 0.13 0.95 -0.12 0.00 0.12 0.00 0.00 56.93 58.01 1cbg s PHE 306 Cb -0.10 -2.30 0.16 0.00 -0.57 0.00 0.00 43.02 40.21 1cbg s PHE 306 CO 0.04 0.36 1.22 -1.54 -0.10 0.00 0.00 175.22 175.20 1cbg s SER 307 N -2.03 3.68 0.15 1.36 1.04 -1.26 -4.86 113.70 111.78 1cbg s SER 307 Ca 0.42 0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 1cbg s SER 307 Cb -0.13 -0.50 0.03 0.00 0.10 0.00 0.00 66.02 65.52 1cbg s SER 307 CO 0.20 -2.36 1.73 0.74 0.98 0.00 0.00 173.24 174.53 1cbg h THR 308 N -1.29 1.18 -0.44 2.02 2.02 -1.99 -1.90 112.91 112.51 1cbg h THR 308 Ca -0.43 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.18 1cbg h THR 308 Cb 1.26 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1cbg h THR 308 CO 0.45 0.20 0.09 -0.08 0.37 0.00 0.00 175.52 176.55 1cbg h GLU 309 N 0.61 0.71 -0.71 6.66 4.22 -1.99 -2.31 114.58 121.77 1cbg h GLU 309 Ca 0.16 -0.18 -0.04 0.00 0.08 0.00 0.00 59.36 59.38 1cbg h GLU 309 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1cbg h GLU 309 CO -0.02 0.72 0.27 0.93 -2.18 0.00 0.00 179.01 178.74 1cbg h GLU 310 N 0.58 1.07 -0.29 1.92 5.08 -1.89 -1.97 114.58 119.07 1cbg h GLU 310 Ca 0.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1cbg h GLU 310 Cb 0.34 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1cbg h GLU 310 CO 0.00 0.89 0.16 0.77 -1.00 0.00 0.00 179.01 179.83 1cbg h SER 311 N 1.02 0.36 -0.39 1.42 0.02 -1.28 -2.17 113.55 112.53 1cbg h SER 311 Ca 0.24 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1cbg h SER 311 Cb 0.22 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1cbg h SER 311 CO -0.02 0.35 0.25 0.50 -1.14 0.00 0.00 176.83 176.77 1cbg h LYS 312 N 0.35 0.53 -0.68 3.45 3.64 -1.20 -1.67 116.57 120.99 1cbg h LYS 312 Ca 0.10 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1cbg h LYS 312 Cb 0.06 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1cbg h LYS 312 CO -0.02 0.37 0.22 0.93 -2.27 0.00 0.00 179.45 178.69 1cbg h GLU 313 N 0.53 1.03 0.00 1.90 5.08 -1.27 -3.29 114.58 118.56 1cbg h GLU 313 Ca 0.14 -0.20 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 1cbg h GLU 313 Cb -0.03 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.08 1cbg h GLU 313 CO -0.03 0.87 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.98 1cbg h LEU 314 N 0.99 0.71 -9.29 1.33 3.38 -1.29 -3.41 115.31 107.73 1cbg h LEU 314 Ca 0.22 -0.75 -0.59 0.00 0.09 0.00 0.00 57.88 56.85 1cbg h LEU 314 Cb 0.26 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.82 1cbg h LEU 314 CO -0.01 1.37 1.14 0.41 0.09 0.00 0.00 178.44 181.44 1cbg n THR 315 N -4.05 0.64 -1.28 0.22 -1.04 -0.64 -2.27 114.28 105.86 1cbg n THR 315 Ca -0.11 -0.12 -0.10 0.00 -2.04 0.00 0.00 64.05 61.69 1cbg n THR 315 Cb 0.77 -2.01 -0.04 0.00 -1.82 0.00 0.00 70.33 67.23 1cbg n THR 315 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cbg n GLY 316 N 4.47 1.10 2.28 3.41 0.00 0.62 -4.97 105.19 112.09 1cbg n GLY 316 Ca 0.22 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1cbg n GLY 316 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cbg n SER 317 N 0.09 6.85 -3.64 1.61 3.41 -0.96 -4.82 113.62 116.16 1cbg n SER 317 Ca -0.10 -2.80 -0.14 0.00 -0.26 0.00 0.00 58.87 55.57 1cbg n SER 317 Cb 0.35 -1.39 -0.07 0.00 -0.26 0.00 0.00 64.21 62.84 1cbg n SER 317 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1cbg s PHE 318 N 0.20 -0.77 -0.11 7.33 -0.71 -1.26 -4.88 117.98 117.78 1cbg s PHE 318 Ca 0.63 1.87 0.16 0.00 -1.04 0.00 0.00 56.93 58.56 1cbg s PHE 318 Cb 0.28 0.26 -0.15 0.00 -1.21 0.00 0.00 43.02 42.20 1cbg s PHE 318 CO -0.09 -0.37 0.78 -0.25 -1.34 0.00 0.00 175.22 173.96 1cbg n ASP 319 N 2.69 0.83 -3.80 1.98 8.00 0.23 -4.99 116.55 121.50 1cbg n ASP 319 Ca -0.14 0.37 -0.10 0.00 0.71 0.00 0.00 54.79 55.63 1cbg n ASP 319 Cb 0.55 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 1cbg n ASP 319 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1cbg s PHE 320 N -2.88 0.04 -0.12 1.24 -0.12 -1.24 -4.63 117.98 110.26 1cbg s PHE 320 Ca -0.03 -0.39 -0.02 0.00 -0.05 0.00 0.00 56.93 56.44 1cbg s PHE 320 Cb 0.09 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 1cbg s PHE 320 CO 0.81 -0.84 -0.05 -1.17 -0.05 0.00 0.00 175.22 173.93 1cbg s LEU 321 N -2.90 3.25 -0.38 -1.99 2.96 0.56 -3.71 118.68 116.46 1cbg s LEU 321 Ca 0.11 -0.07 -0.15 0.00 -0.22 0.00 0.00 54.13 53.80 1cbg s LEU 321 Cb 0.01 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1cbg s LEU 321 CO -0.03 0.25 0.33 -0.83 -1.32 0.00 0.00 176.35 174.76 1cbg s GLY 322 N -0.14 1.95 -0.15 7.98 0.00 -0.02 -1.45 107.32 115.50 1cbg s GLY 322 Ca 0.02 -1.49 -0.04 0.00 0.00 0.00 0.00 44.72 43.22 1cbg s GLY 322 CO 0.03 0.96 -0.03 -2.27 0.00 0.00 0.00 173.10 171.79 1cbg s LEU 323 N 1.86 3.33 -0.22 0.66 2.96 0.22 -0.81 118.68 126.69 1cbg s LEU 323 Ca 0.08 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1cbg s LEU 323 Cb -0.18 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1cbg s LEU 323 CO 0.11 0.19 -0.01 0.20 -1.32 0.00 0.00 176.35 175.53 1cbg s ASN 324 N 0.22 4.62 -0.02 3.68 -0.87 0.01 -0.58 114.94 121.99 1cbg s ASN 324 Ca -0.02 -0.30 0.03 0.00 -1.57 0.00 0.00 52.86 51.01 1cbg s ASN 324 Cb -0.14 -1.80 -0.00 0.00 -0.02 0.00 0.00 41.25 39.29 1cbg s ASN 324 CO 0.03 0.01 -0.11 -0.47 -2.57 0.00 0.00 177.10 173.98 1cbg s TYR 325 N 1.34 1.06 0.00 2.20 5.04 -1.07 -2.36 117.35 123.56 1cbg s TYR 325 Ca 0.04 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.42 1cbg s TYR 325 Cb -0.15 -0.73 0.00 0.00 0.35 0.00 0.00 41.96 41.44 1cbg s TYR 325 CO -0.00 -0.08 0.00 0.66 -1.34 0.00 0.00 175.55 174.79 1cbg n TYR 326 N 3.10 0.00 -4.28 4.97 4.02 -1.26 -4.18 117.16 119.53 1cbg n TYR 326 Ca -0.17 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.57 1cbg n TYR 326 Cb 0.55 0.38 -0.10 0.00 -0.02 0.00 0.00 39.34 40.14 1cbg n TYR 326 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1cbg s SER 327 N -4.64 1.28 0.08 7.72 0.15 -1.26 -4.74 113.70 112.29 1cbg s SER 327 Ca 0.00 -1.25 0.04 0.00 0.70 0.00 0.00 55.95 55.43 1cbg s SER 327 Cb 0.00 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 1cbg s SER 327 CO 0.00 -0.62 -0.10 -0.44 1.20 0.00 0.00 173.24 173.28 1cbg s SER 328 N -3.24 1.34 0.07 5.45 0.01 -1.20 -2.63 113.70 113.50 1cbg s SER 328 Ca 0.29 -0.72 0.02 0.00 1.31 0.00 0.00 55.95 56.85 1cbg s SER 328 Cb 0.07 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 1cbg s SER 328 CO 0.08 -0.22 -0.08 -0.31 0.41 0.00 0.00 173.24 173.12 1cbg s TYR 329 N -2.04 0.83 -0.07 2.43 1.51 -0.61 -4.58 117.35 114.82 1cbg s TYR 329 Ca 0.01 -0.67 -0.17 0.00 -1.01 0.00 0.00 57.07 55.23 1cbg s TYR 329 Cb -0.05 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.27 1cbg s TYR 329 CO 0.00 -0.09 0.45 0.71 -1.11 0.00 0.00 175.55 175.51 1cbg s TYR 330 N -2.35 3.60 -0.09 2.71 2.02 0.10 0.23 117.35 123.56 1cbg s TYR 330 Ca 0.00 0.93 0.04 0.00 -0.37 0.00 0.00 57.07 57.67 1cbg s TYR 330 Cb -0.03 -2.45 -0.01 0.00 -0.40 0.00 0.00 41.96 39.07 1cbg s TYR 330 CO -0.01 0.35 -0.22 0.00 -1.57 0.00 0.00 175.55 174.10 1cbg s ALA 331 N -0.04 2.28 0.08 3.71 0.00 0.86 -1.14 121.76 127.50 1cbg s ALA 331 Ca 0.25 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1cbg s ALA 331 Cb -0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1cbg s ALA 331 CO 0.11 0.33 -0.12 0.00 0.00 0.00 0.00 175.76 176.09 1cbg s ALA 332 N 0.15 1.06 0.35 0.00 0.00 -0.62 -1.16 121.76 121.54 1cbg s ALA 332 Ca -0.12 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 50.52 1cbg s ALA 332 Cb -0.16 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 1cbg s ALA 332 CO 0.07 0.06 1.34 0.21 0.00 0.00 0.00 175.76 177.44 1cbg s LYS 333 N -2.11 4.26 -0.12 0.00 2.20 -1.26 0.32 119.74 123.03 1cbg s LYS 333 Ca -0.00 2.27 -0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1cbg s LYS 333 Cb -0.07 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.22 1cbg s LYS 333 CO 0.01 -0.29 -0.12 0.00 -0.36 0.00 0.00 175.35 174.59 1cbg s ALA 334 N -1.15 2.68 0.46 3.13 0.00 -0.73 -4.56 121.76 121.59 1cbg s ALA 334 Ca 0.51 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1cbg s ALA 334 Cb -0.41 -1.23 -0.07 0.00 0.00 0.00 0.00 23.12 21.41 1cbg s ALA 334 CO 0.54 0.29 1.19 -1.25 0.00 0.00 0.00 175.76 176.53 1cbg s PRO 335 N 0.19 3.72 -0.07 0.00 0.04 -1.26 -4.54 135.00 133.08 1cbg s PRO 335 Ca -0.07 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1cbg s PRO 335 Cb -0.15 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1cbg s PRO 335 CO 0.05 -0.60 1.55 1.03 0.04 0.00 0.00 177.00 179.07 1cbg s ARG 336 N -2.67 4.20 -0.22 4.56 0.52 -1.26 -4.99 118.95 119.08 1cbg s ARG 336 Ca 0.64 2.07 -0.19 0.00 -0.52 0.00 0.00 55.73 57.72 1cbg s ARG 336 Cb -0.30 -3.89 -0.03 0.00 0.52 0.00 0.00 34.95 31.25 1cbg s ARG 336 CO 0.37 -0.79 0.55 0.42 0.02 0.00 0.00 175.30 175.87 1cbg s ILE 337 N 3.74 5.07 0.19 1.52 1.01 -1.26 -5.03 121.20 126.43 1cbg s ILE 337 Ca 0.69 0.99 -0.32 0.00 0.00 0.00 0.00 60.65 62.01 1cbg s ILE 337 Cb -0.31 -3.87 -0.11 0.00 0.01 0.00 0.00 42.46 38.19 1cbg s ILE 337 CO 0.26 0.12 1.63 -2.16 0.00 0.00 0.00 174.94 174.79 1cbg s PRO 338 N 1.97 4.18 -0.10 2.79 0.04 -1.26 -2.74 135.00 139.88 1cbg s PRO 338 Ca 0.24 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1cbg s PRO 338 Cb -0.16 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1cbg s PRO 338 CO 0.09 -0.66 0.00 -1.71 0.04 0.00 0.00 177.00 174.76 1cbg n ASN 339 N 3.92 -3.56 -4.77 6.66 5.15 -1.26 -5.01 115.26 116.40 1cbg n ASN 339 Ca 0.14 0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.74 1cbg n ASN 339 Cb 0.37 -1.14 -0.02 0.00 -0.53 0.00 0.00 39.78 38.46 1cbg n ASN 339 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1cbg s ALA 340 N -1.89 3.54 0.35 5.20 0.00 -1.11 -4.98 121.76 122.88 1cbg s ALA 340 Ca 0.00 1.33 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 1cbg s ALA 340 Cb 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 1cbg s ALA 340 CO 0.00 -0.73 1.01 1.03 0.00 0.00 0.00 175.76 177.06 1cbg s ARG 341 N -1.49 4.41 0.29 0.00 3.00 -1.26 -4.99 118.95 118.90 1cbg s ARG 341 Ca 0.52 1.46 -0.29 0.00 0.00 0.00 0.00 55.73 57.41 1cbg s ARG 341 Cb -0.41 -2.73 -0.10 0.00 0.00 0.00 0.00 34.95 31.71 1cbg s ARG 341 CO 0.52 0.09 1.18 -1.25 0.00 0.00 0.00 175.30 175.84 1cbg s PRO 342 N -2.18 4.54 -0.21 3.54 0.04 -1.26 -5.04 135.00 134.42 1cbg s PRO 342 Ca 0.53 1.95 -0.24 0.00 0.04 0.00 0.00 61.00 63.28 1cbg s PRO 342 Cb -0.21 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.24 1cbg s PRO 342 CO 0.27 0.06 0.65 0.00 0.04 0.00 0.00 177.00 178.02 1cbg s ALA 343 N -1.08 -1.63 0.22 8.56 0.00 -1.26 -3.62 121.76 122.95 1cbg s ALA 343 Ca 0.47 1.74 -0.08 0.00 0.00 0.00 0.00 51.96 54.09 1cbg s ALA 343 Cb -0.35 -0.90 0.28 0.00 0.00 0.00 0.00 23.12 22.16 1cbg s ALA 343 CO 0.45 -0.32 1.81 0.97 0.00 0.00 0.00 175.76 178.66 1cbg h ILE 344 N 3.94 0.94 -0.65 0.00 2.10 -1.51 -1.47 117.51 120.87 1cbg h ILE 344 Ca -0.28 -0.24 0.10 0.00 1.08 0.00 0.00 64.86 65.52 1cbg h ILE 344 Cb 1.16 0.18 -0.04 0.00 -1.09 0.00 0.00 36.82 37.03 1cbg h ILE 344 CO 0.14 0.13 0.43 0.06 -1.08 0.00 0.00 178.15 177.83 1cbg h GLN 345 N 0.70 0.45 0.00 2.19 -0.00 -1.95 -2.67 115.11 113.83 1cbg h GLN 345 Ca 0.32 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 1cbg h GLN 345 Cb 0.24 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.62 1cbg h GLN 345 CO -0.20 0.29 -1.26 0.25 -0.00 0.00 0.00 178.83 177.91 1cbg n THR 346 N -4.48 0.07 -0.21 1.86 -2.24 -0.97 -4.58 114.28 103.73 1cbg n THR 346 Ca 0.11 -0.22 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1cbg n THR 346 Cb 0.38 0.42 0.34 0.00 -2.10 0.00 0.00 70.33 69.38 1cbg n THR 346 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1cbg h ASP 347 N 0.00 0.69 1.04 3.42 3.32 -0.91 -2.75 116.42 121.23 1cbg h ASP 347 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1cbg h ASP 347 Cb 0.72 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1cbg h ASP 347 CO 0.00 0.43 0.00 -1.54 -1.72 0.00 0.00 179.24 176.41 1cbg n SER 348 N -4.49 0.62 -3.47 6.45 3.41 -1.26 -4.89 113.62 109.99 1cbg n SER 348 Ca 0.12 0.60 -0.19 0.00 -0.26 0.00 0.00 58.87 59.14 1cbg n SER 348 Cb 0.27 -0.75 0.06 0.00 -0.26 0.00 0.00 64.21 63.53 1cbg n SER 348 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cbg n LEU 349 N -2.13 -4.18 -4.08 1.04 4.77 -1.04 -4.95 117.00 106.44 1cbg n LEU 349 Ca 0.04 -0.74 -0.19 0.00 -0.03 0.00 0.00 56.01 55.09 1cbg n LEU 349 Cb 0.32 -2.96 -0.14 0.00 -2.33 0.00 0.00 43.42 38.31 1cbg n LEU 349 CO 0.24 0.31 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.53 1cbg s ILE 350 N -3.46 0.90 -0.35 -0.08 1.01 -1.26 -1.77 121.20 116.18 1cbg s ILE 350 Ca 0.20 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1cbg s ILE 350 Cb -0.04 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.71 1cbg s ILE 350 CO 0.77 0.12 0.11 0.21 0.00 0.00 0.00 174.94 176.14 1cbg s ASN 351 N -0.62 5.20 -0.20 3.58 3.04 0.15 -4.69 114.94 121.40 1cbg s ASN 351 Ca 0.02 -1.42 -0.08 0.00 0.04 0.00 0.00 52.86 51.43 1cbg s ASN 351 Cb -0.06 -1.82 -0.04 0.00 -1.54 0.00 0.00 41.25 37.79 1cbg s ASN 351 CO 0.00 -0.38 0.08 0.00 -3.04 0.00 0.00 177.10 173.76 1cbg s ALA 352 N 1.30 3.38 0.32 1.71 0.00 -1.26 -1.60 121.76 125.62 1cbg s ALA 352 Ca -0.00 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1cbg s ALA 352 Cb -0.21 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1cbg s ALA 352 CO -0.00 -0.01 0.18 0.95 0.00 0.00 0.00 175.76 176.89 1cbg s THR 353 N 0.72 0.26 -0.66 0.00 -4.23 -0.29 -4.96 115.64 106.48 1cbg s THR 353 Ca 0.04 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.64 1cbg s THR 353 Cb -0.13 -2.48 0.25 0.00 1.34 0.00 0.00 72.50 71.48 1cbg s THR 353 CO 0.02 0.00 1.21 0.49 -0.54 0.00 0.00 174.62 175.80 1cbg n PHE 354 N -0.62 0.39 -3.86 3.99 3.72 -1.26 0.02 117.46 119.83 1cbg n PHE 354 Ca 0.02 -0.53 -0.09 0.00 -0.05 0.00 0.00 57.45 56.80 1cbg n PHE 354 Cb 0.64 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 39.06 1cbg n PHE 354 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1cbg s GLU 355 N -1.15 0.84 -0.30 -1.08 4.04 -1.26 -1.78 118.70 118.01 1cbg s GLU 355 Ca 0.19 -0.94 -0.02 0.00 0.04 0.00 0.00 54.97 54.24 1cbg s GLU 355 Cb 0.11 0.34 0.10 0.00 0.02 0.00 0.00 34.13 34.70 1cbg s GLU 355 CO 0.12 -0.26 0.10 -1.58 -1.84 0.00 0.00 175.26 171.79 1cbg s HIS 356 N -3.80 1.38 -0.94 4.83 2.46 0.03 -4.80 115.29 114.45 1cbg s HIS 356 Ca 0.04 -1.51 -0.05 0.00 0.47 0.00 0.00 55.06 54.01 1cbg s HIS 356 Cb 0.05 -1.51 0.01 0.00 -0.13 0.00 0.00 32.58 31.00 1cbg s HIS 356 CO -0.11 -0.85 0.71 0.09 -2.47 0.00 0.00 174.74 172.11 1cbg n ASN 357 N 4.94 -4.88 0.00 9.88 5.03 -1.26 -2.50 115.26 126.47 1cbg n ASN 357 Ca -0.03 -0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.09 1cbg n ASN 357 Cb 0.42 -3.53 0.00 0.00 -1.02 0.00 0.00 39.78 35.65 1cbg n ASN 357 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cbg n GLY 358 N -1.46 2.66 3.63 7.41 0.00 -1.26 -5.02 105.19 111.15 1cbg n GLY 358 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1cbg n GLY 358 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cbg s LYS 359 N -0.12 4.14 0.46 1.61 2.20 -1.04 -4.99 119.74 121.99 1cbg s LYS 359 Ca 0.00 0.65 -0.23 0.00 -0.36 0.00 0.00 55.97 56.03 1cbg s LYS 359 Cb 0.00 -3.64 -0.07 0.00 -1.51 0.00 0.00 37.83 32.60 1cbg s LYS 359 CO 0.00 -0.43 1.17 -1.25 -0.36 0.00 0.00 175.35 174.48 1cbg s PRO 360 N 2.54 3.76 0.15 4.03 0.04 -1.26 -0.79 135.00 143.47 1cbg s PRO 360 Ca 0.29 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 1cbg s PRO 360 Cb -0.15 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 1cbg s PRO 360 CO 0.08 -0.56 1.37 1.25 0.04 0.00 0.00 177.00 179.19 1cbg h LEU 361 N 2.06 0.54 -7.64 -3.56 5.85 -1.73 -3.48 115.31 107.36 1cbg h LEU 361 Ca -0.49 -0.38 0.33 0.00 0.84 0.00 0.00 57.88 58.18 1cbg h LEU 361 Cb 1.25 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 1cbg h LEU 361 CO 0.60 1.15 0.87 -0.83 -0.34 0.00 0.00 178.44 179.89 1cbg s GLY 362 N -4.34 -0.25 0.81 3.75 0.00 -1.26 -4.86 107.32 101.17 1cbg s GLY 362 Ca -0.06 0.32 -0.12 0.00 0.00 0.00 0.00 44.72 44.86 1cbg s GLY 362 CO 0.86 3.18 1.12 2.56 0.00 0.00 0.00 173.10 180.82 1cbg s PRO 363 N -2.18 2.02 0.12 2.90 0.04 -1.26 -4.68 135.00 131.96 1cbg s PRO 363 Ca 0.23 0.41 0.04 0.00 0.04 0.00 0.00 61.00 61.71 1cbg s PRO 363 Cb 0.02 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1cbg s PRO 363 CO -0.02 -1.61 0.12 -1.64 0.04 0.00 0.00 177.00 173.88 1cbg s MET 364 N -5.32 2.92 0.00 4.56 -1.94 -1.26 -0.67 119.30 117.60 1cbg s MET 364 Ca 0.61 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 1cbg s MET 364 Cb -0.13 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 34.00 1cbg s MET 364 CO 0.52 0.53 0.00 0.00 -0.01 0.00 0.00 175.02 176.06 1cbg n ALA 365 N 0.06 0.00 0.11 3.03 0.00 -0.37 -4.94 120.51 118.39 1cbg n ALA 365 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1cbg n ALA 365 Cb 0.53 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.07 1cbg n ALA 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cbg h ALA 366 N -1.32 0.78 -2.61 0.00 0.00 -1.83 -3.43 119.26 110.86 1cbg h ALA 366 Ca 0.00 -0.63 -0.52 0.00 0.00 0.00 0.00 54.91 53.76 1cbg h ALA 366 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1cbg h ALA 366 CO 0.00 0.85 0.44 -1.12 0.00 0.00 0.00 179.25 179.43 1cbg s SER 367 N -6.86 7.33 0.00 0.00 0.01 -1.26 -4.95 113.70 107.97 1cbg s SER 367 Ca -0.02 1.98 0.13 0.00 1.31 0.00 0.00 55.95 59.36 1cbg s SER 367 Cb 0.12 -2.60 0.64 0.00 0.21 0.00 0.00 66.02 64.39 1cbg s SER 367 CO 0.79 -0.19 1.37 -1.54 0.41 0.00 0.00 173.24 174.08 1cbg n SER 368 N 2.67 0.00 -0.12 2.44 3.41 -1.26 -2.18 113.62 118.57 1cbg n SER 368 Ca 0.03 0.22 0.08 0.00 -0.26 0.00 0.00 58.87 58.95 1cbg n SER 368 Cb 0.47 -0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 1cbg n SER 368 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1cbg n TRP 369 N -1.35 0.00 -3.30 7.33 4.27 -1.26 -4.91 117.44 118.21 1cbg n TRP 369 Ca 0.05 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.21 1cbg n TRP 369 Cb 0.12 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.02 1cbg n TRP 369 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1cbg s LEU 370 N -2.61 5.97 -0.20 5.67 2.96 -0.93 -4.81 118.68 124.74 1cbg s LEU 370 Ca 0.09 -1.64 -0.08 0.00 -0.22 0.00 0.00 54.13 52.27 1cbg s LEU 370 Cb 0.13 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1cbg s LEU 370 CO 0.62 -0.84 0.09 0.00 -1.32 0.00 0.00 176.35 174.90 1cbg s ILE 372 N 0.66 4.26 -0.40 0.00 1.01 0.16 -3.21 121.20 123.68 1cbg s ILE 372 Ca 0.05 0.75 0.03 0.00 0.00 0.00 0.00 60.65 61.48 1cbg s ILE 372 Cb -0.13 -4.58 0.16 0.00 0.01 0.00 0.00 42.46 37.92 1cbg s ILE 372 CO 0.01 -1.10 0.35 -0.47 0.00 0.00 0.00 174.94 173.74 1cbg s TYR 373 N 4.30 0.57 0.52 3.97 5.04 -1.26 -4.10 117.35 126.39 1cbg s TYR 373 Ca 0.39 -1.81 0.29 0.00 -2.44 0.00 0.00 57.07 53.50 1cbg s TYR 373 Cb -0.09 -0.73 1.42 0.00 0.35 0.00 0.00 41.96 42.91 1cbg s TYR 373 CO 0.25 -0.89 1.89 -1.35 -1.34 0.00 0.00 175.55 174.11 1cbg h PRO 374 N 6.06 0.06 -0.21 4.97 0.11 -1.92 -1.06 132.00 140.02 1cbg h PRO 374 Ca 0.18 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1cbg h PRO 374 Cb 0.96 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1cbg h PRO 374 CO 0.29 0.04 0.09 1.96 -0.21 0.00 0.00 178.00 180.17 1cbg h GLN 375 N 0.06 0.28 -0.94 1.05 7.50 -1.96 -3.09 115.11 118.01 1cbg h GLN 375 Ca 0.43 -0.03 0.15 0.00 0.50 0.00 0.00 58.65 59.70 1cbg h GLN 375 Cb 1.60 -0.06 -0.10 0.00 0.05 0.00 0.00 27.48 28.97 1cbg h GLN 375 CO -0.03 0.23 0.54 0.78 -1.50 0.00 0.00 178.83 178.85 1cbg h GLY 376 N 0.39 1.58 0.89 3.46 0.00 -1.60 -1.77 103.07 106.01 1cbg h GLY 376 Ca 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1cbg h GLY 376 CO -0.01 0.01 0.08 1.19 0.00 0.00 0.00 176.54 177.81 1cbg h ILE 377 N 0.77 1.20 -0.19 2.60 2.10 -1.73 0.12 117.51 122.38 1cbg h ILE 377 Ca 0.51 -0.63 -0.01 0.00 1.08 0.00 0.00 64.86 65.80 1cbg h ILE 377 Cb 0.68 1.11 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 1cbg h ILE 377 CO -0.34 0.21 0.08 -0.09 -1.08 0.00 0.00 178.15 176.93 1cbg h ARG 378 N 0.27 0.28 -0.65 2.19 2.43 -1.62 -0.92 114.38 116.37 1cbg h ARG 378 Ca 0.09 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1cbg h ARG 378 Cb 0.24 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1cbg h ARG 378 CO -0.00 0.34 0.08 0.87 -1.51 0.00 0.00 179.97 179.75 1cbg h LYS 379 N 0.16 1.11 -0.19 0.20 1.57 -1.25 -1.80 116.57 116.36 1cbg h LYS 379 Ca 0.06 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1cbg h LYS 379 Cb 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1cbg h LYS 379 CO -0.01 1.03 0.10 1.25 -0.57 0.00 0.00 179.45 181.25 1cbg h LEU 380 N 1.02 0.24 -0.80 2.94 5.85 -0.62 -1.69 115.31 122.26 1cbg h LEU 380 Ca 0.19 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1cbg h LEU 380 Cb 0.48 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1cbg h LEU 380 CO 0.02 0.27 0.48 -0.07 -0.34 0.00 0.00 178.44 178.80 1cbg h LEU 381 N 0.20 0.74 -0.69 2.25 3.38 -0.98 -1.86 115.31 118.33 1cbg h LEU 381 Ca 0.07 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1cbg h LEU 381 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1cbg h LEU 381 CO -0.01 0.47 -0.53 -0.07 0.09 0.00 0.00 178.44 178.39 1cbg h LEU 382 N 0.87 0.38 -0.27 1.67 3.38 -1.21 -2.48 115.31 117.64 1cbg h LEU 382 Ca 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1cbg h LEU 382 Cb 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1cbg h LEU 382 CO -0.19 0.83 0.12 0.22 0.09 0.00 0.00 178.44 179.52 1cbg h TYR 383 N 0.27 0.40 -0.26 1.13 3.20 -0.55 -0.93 116.97 120.22 1cbg h TYR 383 Ca 0.01 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1cbg h TYR 383 Cb 1.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1cbg h TYR 383 CO 0.03 0.39 0.15 0.28 -1.64 0.00 0.00 178.16 177.37 1cbg h VAL 384 N 0.30 1.12 -0.09 1.81 2.07 -1.32 0.19 116.25 120.34 1cbg h VAL 384 Ca 0.09 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1cbg h VAL 384 Cb 0.15 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1cbg h VAL 384 CO -0.01 0.11 0.04 0.50 0.02 0.00 0.00 177.57 178.23 1cbg h LYS 385 N 0.32 0.08 0.00 1.57 3.64 -1.36 -1.33 116.57 119.49 1cbg h LYS 385 Ca 0.09 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 1cbg h LYS 385 Cb 0.05 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1cbg h LYS 385 CO -0.02 0.06 -0.83 -0.91 -2.27 0.00 0.00 179.45 175.48 1cbg h ASN 386 N 0.09 0.00 0.26 4.20 -0.26 -1.05 -1.69 115.58 117.13 1cbg h ASN 386 Ca 0.03 -0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.60 1cbg h ASN 386 Cb 0.01 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.24 1cbg h ASN 386 CO -0.03 0.83 -1.90 1.41 -1.06 0.00 0.00 177.43 176.68 1cbg n HIS 387 N -3.55 0.35 -2.22 1.19 8.25 0.04 -4.61 115.22 114.67 1cbg n HIS 387 Ca -0.01 0.11 -0.22 0.00 -0.26 0.00 0.00 57.72 57.35 1cbg n HIS 387 Cb 0.80 -0.87 0.02 0.00 1.12 0.00 0.00 29.99 31.06 1cbg n HIS 387 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1cbg n TYR 388 N -2.63 2.75 -4.27 4.41 4.01 -0.50 -5.01 117.16 115.92 1cbg n TYR 388 Ca -0.15 -2.46 -0.34 0.00 -0.16 0.00 0.00 57.90 54.79 1cbg n TYR 388 Cb 0.84 -0.27 -0.07 0.00 -0.31 0.00 0.00 39.34 39.53 1cbg n TYR 388 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1cbg n ASN 389 N -0.62 -0.11 -3.73 7.72 3.02 -1.24 -3.71 115.26 116.59 1cbg n ASN 389 Ca 0.39 -1.28 -0.29 0.00 -0.03 0.00 0.00 54.58 53.36 1cbg n ASN 389 Cb 0.87 -1.62 0.02 0.00 -0.61 0.00 0.00 39.78 38.44 1cbg n ASN 389 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1cbg n ASN 390 N -2.74 -5.24 -4.40 6.41 4.05 -0.64 -4.97 115.26 107.73 1cbg n ASN 390 Ca -0.28 -0.95 -0.29 0.00 0.45 0.00 0.00 54.58 53.50 1cbg n ASN 390 Cb 0.67 -2.74 0.19 0.00 1.23 0.00 0.00 39.78 39.14 1cbg n ASN 390 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1cbg s PRO 391 N -5.64 -0.04 -0.03 1.20 0.04 -1.24 -4.92 135.00 124.37 1cbg s PRO 391 Ca 0.28 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.28 1cbg s PRO 391 Cb -0.12 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1cbg s PRO 391 CO 0.88 -2.99 0.95 0.08 0.04 0.00 0.00 177.00 175.96 1cbg s VAL 392 N -3.06 4.88 0.01 -0.36 1.01 -1.26 -4.45 120.40 117.17 1cbg s VAL 392 Ca 0.67 1.97 0.08 0.00 0.00 0.00 0.00 61.98 64.70 1cbg s VAL 392 Cb -0.15 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1cbg s VAL 392 CO 0.56 0.14 -0.25 -0.63 0.00 0.00 0.00 175.10 174.93 1cbg s ILE 393 N 1.18 2.00 -0.11 2.22 1.01 0.40 -0.32 121.20 127.57 1cbg s ILE 393 Ca 0.49 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1cbg s ILE 393 Cb -0.20 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1cbg s ILE 393 CO 0.25 0.44 -0.15 -0.31 0.00 0.00 0.00 174.94 175.17 1cbg s TYR 394 N -0.69 1.98 -0.54 3.97 1.51 -0.53 0.30 117.35 123.35 1cbg s TYR 394 Ca 0.10 -0.93 -0.28 0.00 -1.01 0.00 0.00 57.07 54.96 1cbg s TYR 394 Cb -0.10 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.36 1cbg s TYR 394 CO 0.01 -0.48 1.13 0.42 -1.11 0.00 0.00 175.55 175.52 1cbg s ILE 395 N 0.98 4.14 -1.80 2.71 -1.09 -0.30 -0.61 121.20 125.22 1cbg s ILE 395 Ca -0.07 0.89 0.26 0.00 -2.23 0.00 0.00 60.65 59.51 1cbg s ILE 395 Cb -0.15 -4.65 0.27 0.00 -1.58 0.00 0.00 42.46 36.35 1cbg s ILE 395 CO -0.01 -1.20 1.55 0.35 -1.23 0.00 0.00 174.94 174.40 1cbg n THR 396 N 6.64 0.00 -3.64 2.92 -2.24 0.25 -0.84 114.28 117.37 1cbg n THR 396 Ca 0.08 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.62 1cbg n THR 396 Cb 0.49 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 1cbg n THR 396 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1cbg s GLU 397 N -2.48 0.67 -0.29 -0.78 2.02 -1.18 -4.68 118.70 111.98 1cbg s GLU 397 Ca 0.25 0.90 -0.16 0.00 0.02 0.00 0.00 54.97 55.98 1cbg s GLU 397 Cb 0.19 0.27 0.12 0.00 0.10 0.00 0.00 34.13 34.81 1cbg s GLU 397 CO 0.51 -0.10 0.82 1.21 0.02 0.00 0.00 175.26 177.73 1cbg s ASN 398 N 0.72 -0.76 0.00 -0.19 3.04 -1.10 -2.61 114.94 114.04 1cbg s ASN 398 Ca -0.02 1.18 0.00 0.00 0.04 0.00 0.00 52.86 54.06 1cbg s ASN 398 Cb -0.05 1.39 0.00 0.00 -1.54 0.00 0.00 41.25 41.05 1cbg s ASN 398 CO -0.07 -0.18 0.00 0.61 -3.04 0.00 0.00 177.10 174.41 1cbg n GLY 399 N 4.18 -1.83 3.33 1.21 0.00 -1.26 -1.33 105.19 109.48 1cbg n GLY 399 Ca -0.18 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 1cbg n GLY 399 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cbg s ARG 400 N -1.80 1.34 0.24 1.61 1.70 -1.26 -4.90 118.95 115.88 1cbg s ARG 400 Ca 0.00 -1.54 0.02 0.00 -0.47 0.00 0.00 55.73 53.74 1cbg s ARG 400 Cb 0.00 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.67 1cbg s ARG 400 CO 0.00 -0.49 0.07 0.54 -1.08 0.00 0.00 175.30 174.34 1cbg s ASN 401 N -3.13 1.25 0.19 -2.89 4.22 -1.26 -4.56 114.94 108.77 1cbg s ASN 401 Ca 0.34 -1.32 0.04 0.00 -2.14 0.00 0.00 52.86 49.78 1cbg s ASN 401 Cb 0.04 0.14 -0.05 0.00 1.28 0.00 0.00 41.25 42.66 1cbg s ASN 401 CO 0.12 -0.67 -0.05 -1.83 -2.04 0.00 0.00 177.10 172.63 1cbg s GLU 402 N -3.99 1.21 0.35 3.55 1.03 -0.83 -2.67 118.70 117.34 1cbg s GLU 402 Ca 0.34 -1.57 -0.19 0.00 0.03 0.00 0.00 54.97 53.57 1cbg s GLU 402 Cb 0.07 -0.62 -0.10 0.00 -0.80 0.00 0.00 34.13 32.69 1cbg s GLU 402 CO 0.11 -0.02 0.84 -0.06 -1.33 0.00 0.00 175.26 174.80 1cbg s PHE 403 N -3.38 3.44 -0.14 4.83 0.08 -1.26 -1.05 117.98 120.50 1cbg s PHE 403 Ca 0.23 1.47 -0.29 0.00 0.12 0.00 0.00 56.93 58.45 1cbg s PHE 403 Cb 0.04 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1cbg s PHE 403 CO 0.05 0.08 1.17 1.21 -0.10 0.00 0.00 175.22 177.62 1cbg s ASN 404 N -2.04 7.04 -0.21 1.36 2.47 -0.64 -4.82 114.94 118.09 1cbg s ASN 404 Ca 0.55 1.64 -0.03 0.00 0.42 0.00 0.00 52.86 55.44 1cbg s ASN 404 Cb -0.12 -2.55 0.07 0.00 -1.45 0.00 0.00 41.25 37.20 1cbg s ASN 404 CO 0.17 -0.65 0.05 -0.62 -3.72 0.00 0.00 177.10 172.33 1cbg s ASP 405 N 1.57 3.04 0.38 -4.21 2.15 -1.26 -4.91 116.67 113.43 1cbg s ASP 405 Ca 0.52 -0.92 0.28 0.00 0.43 0.00 0.00 52.55 52.86 1cbg s ASP 405 Cb -0.21 -0.60 1.26 0.00 -0.30 0.00 0.00 42.92 43.07 1cbg s ASP 405 CO 0.15 -0.32 1.83 -0.65 -0.17 0.00 0.00 175.17 176.01 1cbg h PRO 406 N 8.24 0.00 0.00 4.34 0.11 -2.02 -2.84 132.00 139.83 1cbg h PRO 406 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1cbg h PRO 406 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1cbg h PRO 406 CO 0.35 0.00 -0.05 1.79 -0.21 0.00 0.00 178.00 179.88 1cbg h THR 407 N 0.00 0.00 -3.72 -1.15 1.35 -2.03 -3.46 112.91 103.91 1cbg h THR 407 Ca 0.00 -0.80 -0.50 0.00 -0.55 0.00 0.00 66.41 64.57 1cbg h THR 407 Cb 0.28 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1cbg h THR 407 CO 0.00 0.00 0.29 -0.76 -0.25 0.00 0.00 175.52 174.80 1cbg s LEU 408 N -5.53 4.55 0.88 3.87 1.43 -1.07 -5.07 118.68 117.74 1cbg s LEU 408 Ca 0.08 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 1cbg s LEU 408 Cb 0.08 -3.63 0.12 0.00 0.03 0.00 0.00 46.19 42.79 1cbg s LEU 408 CO 0.65 0.11 1.13 -0.94 0.23 0.00 0.00 176.35 177.53 1cbg s SER 409 N -1.30 3.76 0.08 2.29 1.04 -1.26 -4.86 113.70 113.44 1cbg s SER 409 Ca 0.42 1.04 -0.23 0.00 0.48 0.00 0.00 55.95 57.66 1cbg s SER 409 Cb -0.23 -1.66 -0.15 0.00 0.10 0.00 0.00 66.02 64.08 1cbg s SER 409 CO 0.28 -2.40 1.68 0.25 0.98 0.00 0.00 173.24 174.03 1cbg h LEU 410 N -1.39 0.02 -0.74 2.42 5.85 -1.99 -2.15 115.31 117.33 1cbg h LEU 410 Ca -0.50 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.29 1cbg h LEU 410 Cb 1.32 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.25 1cbg h LEU 410 CO 0.61 0.08 0.31 -0.61 -0.34 0.00 0.00 178.44 178.50 1cbg h GLN 411 N -0.04 0.47 -0.71 1.25 4.15 -1.99 -1.35 115.11 116.89 1cbg h GLN 411 Ca 0.01 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1cbg h GLN 411 Cb 0.06 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1cbg h GLN 411 CO -0.00 0.31 0.18 0.93 -1.93 0.00 0.00 178.83 178.32 1cbg h GLU 412 N 0.48 1.12 -0.09 1.69 5.08 -1.92 -2.95 114.58 118.00 1cbg h GLU 412 Ca 0.39 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1cbg h GLU 412 Cb 0.56 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1cbg h GLU 412 CO -0.37 0.99 -0.35 0.77 -1.00 0.00 0.00 179.01 179.05 1cbg h SER 413 N 1.06 0.18 1.14 1.42 0.02 -0.62 -3.06 113.55 113.69 1cbg h SER 413 Ca 0.22 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1cbg h SER 413 Cb 0.36 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1cbg h SER 413 CO 0.00 0.53 0.00 0.18 -1.14 0.00 0.00 176.83 176.40 1cbg n LEU 414 N -4.08 0.27 -3.81 5.07 4.77 -0.60 -4.47 117.00 114.14 1cbg n LEU 414 Ca -0.01 0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 56.07 1cbg n LEU 414 Cb 0.43 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1cbg n LEU 414 CO 0.40 -0.07 2.08 0.18 -1.33 0.00 0.00 177.39 178.65 1cbg n LEU 415 N -1.75 6.82 -3.70 2.23 4.77 -1.16 -1.03 117.00 123.18 1cbg n LEU 415 Ca 0.06 -4.62 -0.41 0.00 -0.03 0.00 0.00 56.01 51.01 1cbg n LEU 415 Cb 0.36 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 39.98 1cbg n LEU 415 CO 0.28 1.42 1.86 -0.90 -1.33 0.00 0.00 177.39 178.72 1cbg n ASP 416 N 3.88 6.90 -0.05 -1.43 5.75 -1.26 -4.76 116.55 125.57 1cbg n ASP 416 Ca 0.43 -3.30 -0.05 0.00 -0.01 0.00 0.00 54.79 51.85 1cbg n ASP 416 Cb 0.35 -1.33 0.15 0.00 -1.03 0.00 0.00 41.12 39.26 1cbg n ASP 416 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1cbg h THR 417 N 2.94 1.26 -0.49 2.12 1.35 -1.98 -2.84 112.91 115.26 1cbg h THR 417 Ca 0.50 -1.25 0.07 0.00 -0.55 0.00 0.00 66.41 65.18 1cbg h THR 417 Cb 0.44 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 1cbg h THR 417 CO 1.43 0.41 0.33 -0.65 -0.25 0.00 0.00 175.52 176.79 1cbg h PRO 418 N 0.58 0.37 -0.35 4.72 0.11 -2.00 -1.48 132.00 133.95 1cbg h PRO 418 Ca 0.09 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 1cbg h PRO 418 Cb 0.66 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1cbg h PRO 418 CO 0.05 0.24 -0.33 -0.09 -0.21 0.00 0.00 178.00 177.66 1cbg h ARG 419 N 0.38 0.84 -0.19 1.05 2.43 -1.92 -1.08 114.38 115.89 1cbg h ARG 419 Ca 0.22 -0.44 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1cbg h ARG 419 Cb 0.37 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1cbg h ARG 419 CO -0.05 1.08 0.11 0.82 -1.51 0.00 0.00 179.97 180.42 1cbg h ILE 420 N 0.63 1.09 -0.10 1.20 2.04 -1.27 -0.09 117.51 121.01 1cbg h ILE 420 Ca 0.06 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1cbg h ILE 420 Cb 0.92 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1cbg h ILE 420 CO 0.08 0.08 -0.23 -0.78 0.00 0.00 0.00 178.15 177.31 1cbg h ASP 421 N 0.23 -0.71 -0.06 1.72 3.58 -1.23 -0.42 116.42 119.52 1cbg h ASP 421 Ca 0.07 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.66 1cbg h ASP 421 Cb 0.04 0.31 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 1cbg h ASP 421 CO -0.01 -0.29 -0.16 0.22 -2.88 0.00 0.00 179.24 176.12 1cbg h TYR 422 N -0.31 -0.42 -0.56 0.28 5.03 -0.67 -2.92 116.97 117.39 1cbg h TYR 422 Ca 0.09 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.33 1cbg h TYR 422 Cb 0.44 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.90 1cbg h TYR 422 CO -0.32 -0.24 -0.01 1.88 -1.32 0.00 0.00 178.16 178.15 1cbg h TYR 423 N -0.24 1.08 -0.01 -3.82 0.05 -0.81 -2.62 116.97 110.61 1cbg h TYR 423 Ca 0.07 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.69 1cbg h TYR 423 Cb 0.34 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 1cbg h TYR 423 CO -0.25 0.98 -0.18 -0.92 -1.05 0.00 0.00 178.16 176.74 1cbg h TYR 424 N 0.87 -0.48 -0.21 4.88 5.03 -0.98 -1.44 116.97 124.64 1cbg h TYR 424 Ca 0.16 0.02 -0.17 0.00 2.58 0.00 0.00 58.73 61.31 1cbg h TYR 424 Cb 0.55 0.21 -0.00 0.00 1.55 0.00 0.00 36.73 39.04 1cbg h TYR 424 CO 0.04 -0.26 -0.56 0.00 -1.32 0.00 0.00 178.16 176.05 1cbg h ARG 425 N -0.29 0.65 -0.41 1.82 3.08 -1.59 -2.00 114.38 115.64 1cbg h ARG 425 Ca 0.06 -0.42 -0.09 0.00 0.07 0.00 0.00 59.98 59.60 1cbg h ARG 425 Cb 0.37 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1cbg h ARG 425 CO -0.18 1.04 -0.09 0.45 -1.07 0.00 0.00 179.97 180.12 1cbg h HIS 426 N 0.49 0.87 -0.56 3.04 3.86 -1.39 -2.21 115.15 119.26 1cbg h HIS 426 Ca 0.01 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 58.98 1cbg h HIS 426 Cb 1.13 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 1cbg h HIS 426 CO 0.05 0.90 0.14 -0.07 0.86 0.00 0.00 177.93 179.81 1cbg h LEU 427 N 0.60 0.80 -0.20 2.43 3.38 -1.27 -1.70 115.31 119.36 1cbg h LEU 427 Ca 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1cbg h LEU 427 Cb 0.61 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1cbg h LEU 427 CO 0.04 0.78 0.10 0.22 0.09 0.00 0.00 178.44 179.67 1cbg h TYR 428 N 0.83 0.28 -0.01 1.13 3.20 -1.19 -2.31 116.97 118.89 1cbg h TYR 428 Ca 0.18 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 1cbg h TYR 428 Cb 0.30 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1cbg h TYR 428 CO 0.02 0.28 -0.39 1.88 -1.64 0.00 0.00 178.16 178.31 1cbg h TYR 429 N 0.20 0.03 -0.18 -3.82 0.05 -0.95 -2.48 116.97 109.82 1cbg h TYR 429 Ca 0.07 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1cbg h TYR 429 Cb 0.10 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1cbg h TYR 429 CO -0.03 0.42 0.08 0.28 -1.05 0.00 0.00 178.16 177.85 1cbg h VAL 430 N 0.02 1.15 -0.90 -2.88 2.07 -1.22 -1.76 116.25 112.74 1cbg h VAL 430 Ca -0.00 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1cbg h VAL 430 Cb 0.71 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1cbg h VAL 430 CO 0.05 0.15 0.59 -0.07 0.02 0.00 0.00 177.57 178.30 1cbg h LEU 431 N 0.14 0.90 -0.67 2.57 3.38 -1.04 -1.91 115.31 118.69 1cbg h LEU 431 Ca 0.06 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1cbg h LEU 431 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1cbg h LEU 431 CO -0.01 0.58 -0.54 0.71 0.09 0.00 0.00 178.44 179.27 1cbg h THR 432 N 1.02 1.35 -0.49 0.22 1.35 -1.12 -2.34 112.91 112.91 1cbg h THR 432 Ca 0.39 -1.83 -0.08 0.00 -0.55 0.00 0.00 66.41 64.34 1cbg h THR 432 Cb 0.19 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1cbg h THR 432 CO -0.14 0.55 -0.02 0.00 -0.25 0.00 0.00 175.52 175.66 1cbg h ALA 433 N 1.16 0.66 -0.81 6.62 0.00 -0.60 -2.59 119.26 123.70 1cbg h ALA 433 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1cbg h ALA 433 Cb 1.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1cbg h ALA 433 CO 0.09 0.48 0.45 0.82 0.00 0.00 0.00 179.25 181.09 1cbg h ILE 434 N 0.73 1.24 -0.60 0.00 2.04 -1.30 -2.22 117.51 117.39 1cbg h ILE 434 Ca 0.14 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1cbg h ILE 434 Cb 0.54 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1cbg h ILE 434 CO 0.03 0.26 0.38 1.23 0.00 0.00 0.00 178.15 180.06 1cbg h GLY 435 N 1.12 0.86 -1.75 5.37 0.00 -1.24 -2.71 103.07 104.71 1cbg h GLY 435 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1cbg h GLY 435 CO -0.05 0.32 0.00 1.22 0.00 0.00 0.00 176.54 178.04 1cbg n ASP 436 N -4.43 2.58 0.00 0.19 8.00 -0.90 -4.93 116.55 117.05 1cbg n ASP 436 Ca 0.06 -2.19 0.00 0.00 0.71 0.00 0.00 54.79 53.37 1cbg n ASP 436 Cb 0.05 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1cbg n ASP 436 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cbg n GLY 437 N 0.77 0.82 3.74 0.44 0.00 -1.02 -5.06 105.19 104.88 1cbg n GLY 437 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1cbg n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbg s VAL 438 N -2.05 3.94 -1.30 1.61 1.01 -0.89 -4.95 120.40 117.77 1cbg s VAL 438 Ca 0.00 1.75 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 1cbg s VAL 438 Cb 0.00 -4.12 0.14 0.00 0.00 0.00 0.00 36.38 32.40 1cbg s VAL 438 CO 0.00 0.34 1.85 -3.20 0.00 0.00 0.00 175.10 174.09 1cbg n ASN 439 N 2.08 4.90 -4.69 3.32 5.15 -1.26 -4.39 115.26 120.37 1cbg n ASN 439 Ca 0.01 -3.04 -0.38 0.00 -0.60 0.00 0.00 54.58 50.57 1cbg n ASN 439 Cb 0.47 -1.54 -0.06 0.00 -0.53 0.00 0.00 39.78 38.12 1cbg n ASN 439 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1cbg s VAL 440 N 1.24 5.15 -0.15 3.44 1.01 -1.26 -0.45 120.40 129.37 1cbg s VAL 440 Ca 0.42 0.96 0.07 0.00 0.00 0.00 0.00 61.98 63.42 1cbg s VAL 440 Cb 0.08 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1cbg s VAL 440 CO -0.01 0.26 0.21 0.29 0.00 0.00 0.00 175.10 175.85 1cbg n LYS 441 N 4.18 2.45 -3.77 2.72 4.76 0.15 -4.95 118.16 123.70 1cbg n LYS 441 Ca -0.06 -0.03 -0.06 0.00 -2.87 0.00 0.00 58.31 55.29 1cbg n LYS 441 Cb 0.51 -0.99 -0.02 0.00 -1.84 0.00 0.00 35.03 32.69 1cbg n LYS 441 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1cbg s GLY 442 N -2.21 -0.20 -0.13 0.72 0.00 -1.25 -1.93 107.32 102.31 1cbg s GLY 442 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.63 1cbg s GLY 442 CO 0.27 -0.02 0.31 -0.47 0.00 0.00 0.00 173.10 173.19 1cbg s TYR 443 N -3.62 -0.45 -0.15 1.90 6.14 -0.22 -1.15 117.35 119.79 1cbg s TYR 443 Ca 0.11 1.00 0.01 0.00 0.64 0.00 0.00 57.07 58.82 1cbg s TYR 443 Cb -0.04 0.12 0.02 0.00 0.42 0.00 0.00 41.96 42.49 1cbg s TYR 443 CO 0.03 -0.29 -0.16 -0.06 0.64 0.00 0.00 175.55 175.71 1cbg s PHE 444 N 1.46 2.35 0.19 4.97 0.40 -0.02 -1.64 117.98 125.69 1cbg s PHE 444 Ca -0.08 -1.32 -0.29 0.00 -0.60 0.00 0.00 56.93 54.64 1cbg s PHE 444 Cb -0.10 -1.68 -0.08 0.00 0.51 0.00 0.00 43.02 41.67 1cbg s PHE 444 CO -0.10 -0.69 0.91 0.00 0.70 0.00 0.00 175.22 176.03 1cbg s ALA 445 N 1.36 3.34 -0.38 5.36 0.00 -0.95 -2.72 121.76 127.77 1cbg s ALA 445 Ca 0.04 0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 1cbg s ALA 445 Cb -0.13 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1cbg s ALA 445 CO -0.10 0.18 0.21 -0.46 0.00 0.00 0.00 175.76 175.58 1cbg s TRP 446 N -0.91 3.26 0.29 0.00 -0.11 -0.44 -1.66 118.94 119.37 1cbg s TRP 446 Ca 0.41 -1.09 0.04 0.00 1.22 0.00 0.00 56.10 56.68 1cbg s TRP 446 Cb -0.25 -2.50 -0.03 0.00 -1.50 0.00 0.00 33.47 29.19 1cbg s TRP 446 CO 0.30 -0.69 0.22 -1.54 -4.62 0.00 0.00 176.95 170.63 1cbg s SER 447 N 1.62 1.19 0.04 5.86 1.04 -1.11 -4.32 113.70 118.01 1cbg s SER 447 Ca 0.02 -1.63 -0.18 0.00 0.48 0.00 0.00 55.95 54.63 1cbg s SER 447 Cb -0.20 0.49 -0.18 0.00 0.10 0.00 0.00 66.02 66.23 1cbg s SER 447 CO 0.06 -0.98 1.22 0.25 0.98 0.00 0.00 173.24 174.77 1cbg h LEU 448 N 2.29 0.59 -9.20 2.42 5.85 -1.79 -2.86 115.31 112.62 1cbg h LEU 448 Ca -0.29 -0.65 -0.65 0.00 0.84 0.00 0.00 57.88 57.14 1cbg h LEU 448 Cb 1.24 -0.17 -0.16 0.00 0.37 0.00 0.00 40.66 41.93 1cbg h LEU 448 CO 0.43 1.14 -0.76 -0.36 -0.34 0.00 0.00 178.44 178.54 1cbg s PHE 449 N -3.66 2.54 0.49 1.25 0.08 -1.26 -0.40 117.98 117.02 1cbg s PHE 449 Ca -0.13 -0.26 -0.23 0.00 0.12 0.00 0.00 56.93 56.43 1cbg s PHE 449 Cb 0.05 -1.27 -0.06 0.00 -0.57 0.00 0.00 43.02 41.16 1cbg s PHE 449 CO 0.82 0.47 1.30 -0.51 -0.10 0.00 0.00 175.22 177.20 1cbg s ASP 450 N -2.60 5.73 0.36 1.36 1.01 -0.93 -4.03 116.67 117.57 1cbg s ASP 450 Ca 0.22 2.62 -0.12 0.00 0.71 0.00 0.00 52.55 55.99 1cbg s ASP 450 Cb -0.09 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.26 1cbg s ASP 450 CO 0.13 -1.24 0.68 -0.46 0.21 0.00 0.00 175.17 174.48 1cbg n ASN 451 N -0.64 -1.97 -4.66 0.27 0.23 -1.26 -4.82 115.26 102.41 1cbg n ASN 451 Ca 0.08 -2.50 -0.43 0.00 -0.53 0.00 0.00 54.58 51.20 1cbg n ASN 451 Cb 0.45 3.32 -0.02 0.00 -2.08 0.00 0.00 39.78 41.45 1cbg n ASN 451 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1cbg s MET 452 N -2.19 4.22 -1.14 -3.83 -2.45 -1.26 -4.76 119.30 107.89 1cbg s MET 452 Ca 0.16 1.89 -0.05 0.00 -1.25 0.00 0.00 55.69 56.45 1cbg s MET 452 Cb -0.04 -3.84 0.26 0.00 1.25 0.00 0.00 34.83 32.47 1cbg s MET 452 CO 0.12 -0.75 1.76 -1.91 1.05 0.00 0.00 175.02 175.29 1cbg n GLU 453 N 6.70 4.56 0.00 4.11 4.07 0.12 -4.80 120.64 135.40 1cbg n GLU 453 Ca 0.15 -4.24 0.00 0.00 -0.06 0.00 0.00 57.16 53.01 1cbg n GLU 453 Cb 0.44 -2.60 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 1cbg n GLU 453 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 1cbg n TRP 454 N 1.55 0.00 0.33 4.31 7.02 -1.26 -1.90 117.44 127.49 1cbg n TRP 454 Ca 0.38 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.97 1cbg n TRP 454 Cb 0.31 0.00 0.47 0.00 -2.42 0.00 0.00 31.31 29.67 1cbg n TRP 454 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1cbg n ASP 455 N 4.54 0.54 0.06 -0.99 5.75 -1.26 -2.08 116.55 123.12 1cbg n ASP 455 Ca 0.00 0.66 0.13 0.00 -0.01 0.00 0.00 54.79 55.57 1cbg n ASP 455 Cb 0.00 -0.77 0.38 0.00 -1.03 0.00 0.00 41.12 39.70 1cbg n ASP 455 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1cbg n SER 456 N -2.13 0.60 0.00 -1.12 7.64 -0.80 -0.72 113.62 117.09 1cbg n SER 456 Ca 0.01 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1cbg n SER 456 Cb 0.17 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1cbg n SER 456 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cbg n GLY 457 N 1.37 2.75 1.86 0.23 0.00 -0.88 -2.83 105.19 107.69 1cbg n GLY 457 Ca 0.05 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1cbg n GLY 457 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cbg n TYR 458 N 13.62 2.31 0.70 1.61 4.02 -1.26 0.13 117.16 138.29 1cbg n TYR 458 Ca 0.00 -1.38 0.13 0.00 -0.01 0.00 0.00 57.90 56.64 1cbg n TYR 458 Cb 0.00 -0.70 0.46 0.00 -0.02 0.00 0.00 39.34 39.08 1cbg n TYR 458 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1cbg n THR 459 N -0.53 0.48 -4.15 -0.72 -2.24 -1.13 -4.71 114.28 101.27 1cbg n THR 459 Ca 0.43 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.86 1cbg n THR 459 Cb 1.37 -0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 68.90 1cbg n THR 459 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1cbg s VAL 460 N -3.09 0.89 -0.13 2.28 -7.23 -1.26 -1.63 120.40 110.24 1cbg s VAL 460 Ca 0.11 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1cbg s VAL 460 Cb 0.14 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.93 1cbg s VAL 460 CO 0.57 -0.47 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.65 1cbg s ARG 461 N -2.38 1.99 0.00 4.82 0.52 -0.22 -4.75 118.95 118.93 1cbg s ARG 461 Ca 0.01 -0.44 0.16 0.00 -0.52 0.00 0.00 55.73 54.94 1cbg s ARG 461 Cb -0.05 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 1cbg s ARG 461 CO 0.00 -0.22 0.83 1.19 0.02 0.00 0.00 175.30 177.13 1cbg n PHE 462 N 4.74 0.00 -2.02 -0.53 3.72 -1.26 -1.97 117.46 120.14 1cbg n PHE 462 Ca -0.16 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.95 1cbg n PHE 462 Cb 0.50 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.08 1cbg n PHE 462 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1cbg s GLY 463 N -1.91 1.62 0.18 1.37 0.00 -1.26 -2.77 107.32 104.56 1cbg s GLY 463 Ca 0.13 -0.39 0.19 0.00 0.00 0.00 0.00 44.72 44.65 1cbg s GLY 463 CO 0.41 -0.06 1.07 1.41 0.00 0.00 0.00 173.10 175.93 1cbg h LEU 464 N -0.48 0.00 -8.16 0.66 3.38 -1.16 -3.45 115.31 106.10 1cbg h LEU 464 Ca -0.45 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.86 1cbg h LEU 464 Cb 1.24 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.65 1cbg h LEU 464 CO 0.63 0.28 -0.86 -0.69 0.09 0.00 0.00 178.44 177.89 1cbg s VAL 465 N -3.13 1.96 0.23 1.22 1.01 0.46 -1.47 120.40 120.68 1cbg s VAL 465 Ca -0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1cbg s VAL 465 Cb 0.08 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 1cbg s VAL 465 CO 0.78 0.53 1.07 0.12 0.00 0.00 0.00 175.10 177.60 1cbg s PHE 466 N 0.87 3.67 -0.19 5.22 2.19 0.66 -2.18 117.98 128.22 1cbg s PHE 466 Ca -0.06 1.71 -0.02 0.00 0.33 0.00 0.00 56.93 58.89 1cbg s PHE 466 Cb -0.15 -3.22 0.00 0.00 -1.31 0.00 0.00 43.02 38.34 1cbg s PHE 466 CO -0.02 -0.35 -0.11 0.08 1.83 0.00 0.00 175.22 176.64 1cbg s VAL 467 N -0.81 2.88 -0.66 3.12 1.01 -1.26 -0.16 120.40 124.52 1cbg s VAL 467 Ca 0.46 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 1cbg s VAL 467 Cb -0.30 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 33.88 1cbg s VAL 467 CO 0.37 0.48 0.99 -0.62 0.00 0.00 0.00 175.10 176.31 1cbg s ASP 468 N 1.25 6.18 0.20 3.32 -1.08 0.49 -4.89 116.67 122.14 1cbg s ASP 468 Ca 0.03 -0.89 0.22 0.00 -0.52 0.00 0.00 52.55 51.39 1cbg s ASP 468 Cb -0.14 -2.43 0.90 0.00 -1.46 0.00 0.00 42.92 39.79 1cbg s ASP 468 CO -0.05 -1.46 1.68 0.49 0.52 0.00 0.00 175.17 176.35 1cbg n PHE 469 N 7.82 0.65 1.05 -5.34 3.72 -1.26 -2.35 117.46 121.75 1cbg n PHE 469 Ca -0.03 0.24 0.11 0.00 -0.05 0.00 0.00 57.45 57.73 1cbg n PHE 469 Cb 0.46 -0.90 0.07 0.00 -0.94 0.00 0.00 39.48 38.18 1cbg n PHE 469 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1cbg n LYS 470 N -2.08 1.24 -3.40 -1.08 5.02 -1.26 -4.68 118.16 111.92 1cbg n LYS 470 Ca 0.03 -0.99 -0.27 0.00 -2.02 0.00 0.00 58.31 55.06 1cbg n LYS 470 Cb 0.24 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 1cbg n LYS 470 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1cbg s ASN 471 N -2.44 1.57 -1.67 4.39 3.04 -1.11 -4.97 114.94 113.75 1cbg s ASN 471 Ca 0.20 -3.00 -0.18 0.00 0.04 0.00 0.00 52.86 49.93 1cbg s ASN 471 Cb 0.18 -0.44 0.14 0.00 -1.54 0.00 0.00 41.25 39.60 1cbg s ASN 471 CO 0.54 -0.18 0.85 0.59 -3.04 0.00 0.00 177.10 175.86 1cbg n ASN 472 N 2.94 -3.75 -4.28 -4.21 3.02 -1.26 -2.56 115.26 105.15 1cbg n ASN 472 Ca 0.28 -0.95 -0.36 0.00 -0.03 0.00 0.00 54.58 53.53 1cbg n ASN 472 Cb 0.47 -3.05 -0.05 0.00 -0.61 0.00 0.00 39.78 36.54 1cbg n ASN 472 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1cbg n LEU 473 N -4.46 -1.47 -4.76 3.41 4.77 -0.99 -4.89 117.00 108.61 1cbg n LEU 473 Ca 0.07 -1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 54.53 1cbg n LEU 473 Cb 0.50 -1.92 -0.01 0.00 -2.33 0.00 0.00 43.42 39.66 1cbg n LEU 473 CO 0.83 0.29 1.23 -0.54 -1.33 0.00 0.00 177.39 177.87 1cbg s LYS 474 N -7.02 4.11 -0.24 3.23 -0.14 -1.06 -4.54 119.74 114.08 1cbg s LYS 474 Ca 0.55 2.59 -0.16 0.00 -1.36 0.00 0.00 55.97 57.59 1cbg s LYS 474 Cb -0.31 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 32.80 1cbg s LYS 474 CO 0.96 -0.62 0.41 1.03 -0.76 0.00 0.00 175.35 176.37 1cbg s ARG 475 N -0.92 4.10 -0.31 1.68 3.00 -1.26 -0.38 118.95 124.87 1cbg s ARG 475 Ca 0.61 0.17 -0.01 0.00 0.00 0.00 0.00 55.73 56.50 1cbg s ARG 475 Cb -0.48 -3.60 0.10 0.00 0.00 0.00 0.00 34.95 30.97 1cbg s ARG 475 CO 0.52 -0.18 0.10 -1.01 0.00 0.00 0.00 175.30 174.73 1cbg s HIS 476 N 1.77 1.64 0.23 -0.53 3.76 0.77 -4.98 115.29 117.94 1cbg s HIS 476 Ca 0.18 -1.69 -0.32 0.00 -0.15 0.00 0.00 55.06 53.09 1cbg s HIS 476 Cb -0.15 -1.67 -0.13 0.00 1.11 0.00 0.00 32.58 31.74 1cbg s HIS 476 CO 0.09 -0.87 1.56 -2.30 -0.85 0.00 0.00 174.74 172.36 1cbg n PRO 477 N 4.87 2.37 -2.10 8.40 -0.02 -1.26 -0.24 135.00 147.00 1cbg n PRO 477 Ca -0.02 0.85 -0.27 0.00 -2.02 0.00 0.00 63.50 62.03 1cbg n PRO 477 Cb 0.42 -2.60 0.11 0.00 -0.02 0.00 0.00 33.50 31.41 1cbg n PRO 477 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1cbg s LYS 478 N 0.19 1.62 0.30 -0.52 1.02 -0.54 -4.83 119.74 116.99 1cbg s LYS 478 Ca 0.71 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.37 1cbg s LYS 478 Cb -0.59 -2.05 0.51 0.00 -0.52 0.00 0.00 37.83 35.18 1cbg s LYS 478 CO 0.43 -1.69 1.93 1.25 -0.92 0.00 0.00 175.35 176.35 1cbg h LEU 479 N -1.00 0.91 -1.98 3.17 5.85 -1.36 -1.80 115.31 119.11 1cbg h LEU 479 Ca -0.44 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1cbg h LEU 479 Cb 1.29 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1cbg h LEU 479 CO 0.53 0.61 0.03 0.77 -0.34 0.00 0.00 178.44 180.03 1cbg h SER 480 N 1.05 0.03 -0.32 1.25 4.64 -1.83 -1.08 113.55 117.29 1cbg h SER 480 Ca 0.37 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.60 1cbg h SER 480 Cb 0.12 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1cbg h SER 480 CO -0.12 0.02 -0.14 0.00 -0.87 0.00 0.00 176.83 175.72 1cbg h ALA 481 N 1.97 0.44 -0.48 5.18 0.00 -1.40 -1.12 119.26 123.85 1cbg h ALA 481 Ca 0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1cbg h ALA 481 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1cbg h ALA 481 CO -0.00 0.34 0.07 0.45 0.00 0.00 0.00 179.25 180.10 1cbg h HIS 482 N 0.42 0.86 -0.38 0.00 -0.00 -1.49 -0.49 115.15 114.07 1cbg h HIS 482 Ca 0.07 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.29 1cbg h HIS 482 Cb 0.66 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.82 1cbg h HIS 482 CO 0.06 0.80 0.14 2.35 -0.00 0.00 0.00 177.93 181.28 1cbg h TRP 483 N 0.68 0.59 -0.48 2.45 7.01 -1.18 -2.30 115.95 122.72 1cbg h TRP 483 Ca 0.15 -0.05 -0.11 0.00 2.11 0.00 0.00 58.89 60.98 1cbg h TRP 483 Cb 0.41 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.28 1cbg h TRP 483 CO 0.03 0.55 -0.15 0.35 -2.79 0.00 0.00 178.44 176.42 1cbg h PHE 484 N 0.47 1.04 -0.66 2.65 3.57 -1.01 -2.13 116.94 120.87 1cbg h PHE 484 Ca 0.13 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1cbg h PHE 484 Cb 0.22 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 1cbg h PHE 484 CO 0.00 1.00 0.40 -0.22 -2.23 0.00 0.00 178.31 177.27 1cbg h LYS 485 N 0.82 0.75 -0.36 1.11 3.64 -0.98 -2.13 116.57 119.42 1cbg h LYS 485 Ca 0.12 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1cbg h LYS 485 Cb 0.70 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1cbg h LYS 485 CO 0.05 0.49 -0.23 0.66 -2.27 0.00 0.00 179.45 178.16 1cbg h SER 486 N 0.77 0.71 -0.84 4.20 4.64 -1.25 -2.74 113.55 119.04 1cbg h SER 486 Ca 0.28 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1cbg h SER 486 Cb 0.07 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 1cbg h SER 486 CO -0.13 0.92 0.49 0.15 -0.87 0.00 0.00 176.83 177.39 1cbg h PHE 487 N 0.61 1.12 -0.27 4.77 3.04 -0.97 -2.87 116.94 122.37 1cbg h PHE 487 Ca 0.09 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1cbg h PHE 487 Cb 0.71 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1cbg h PHE 487 CO 0.03 0.76 0.00 1.28 -2.02 0.00 0.00 178.31 178.36 1cbg n LEU 488 N -4.42 1.80 -1.83 0.59 4.77 -0.84 -1.62 117.00 115.44 1cbg n LEU 488 Ca 0.08 -0.84 -0.14 0.00 -0.03 0.00 0.00 56.01 55.08 1cbg n LEU 488 Cb 0.07 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1cbg n LEU 488 CO 0.38 0.42 1.18 1.17 -1.33 0.00 0.00 177.39 179.20 1cbg n LYS 489 N 0.44 1.70 0.00 3.23 4.81 -1.04 -4.85 118.16 122.45 1cbg n LYS 489 Ca 0.14 -1.38 0.00 0.00 -0.87 0.00 0.00 58.31 56.20 1cbg n LYS 489 Cb 0.31 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 33.82 1cbg n LYS 489 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74