#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bay s PRO 2 N 0.00 2.89 -0.02 0.52 0.04 -1.26 -3.68 135.00 133.49 1bay s PRO 2 Ca 0.00 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 1bay s PRO 2 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1bay s PRO 2 CO 0.00 -1.14 0.08 0.71 0.04 0.00 0.00 177.00 176.69 1bay s TYR 3 N -2.85 3.32 -0.11 0.56 2.02 -1.26 -1.65 117.35 117.38 1bay s TYR 3 Ca 0.60 0.24 -0.08 0.00 -0.37 0.00 0.00 57.07 57.46 1bay s TYR 3 Cb -0.15 -1.77 0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1bay s TYR 3 CO 0.50 0.56 0.29 0.99 -1.57 0.00 0.00 175.55 176.32 1bay s THR 4 N -1.16 -0.02 -0.18 -0.71 2.01 -0.90 -0.56 115.64 114.13 1bay s THR 4 Ca 0.22 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.27 1bay s THR 4 Cb -0.12 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 71.98 1bay s THR 4 CO 0.12 0.03 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.30 1bay s ILE 5 N 0.70 2.59 -0.26 1.82 1.01 0.17 -1.45 121.20 125.77 1bay s ILE 5 Ca -0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1bay s ILE 5 Cb -0.06 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.30 1bay s ILE 5 CO -0.04 0.50 0.03 -0.69 0.00 0.00 0.00 174.94 174.74 1bay s VAL 6 N 1.14 3.81 0.26 2.92 1.01 -0.23 -0.05 120.40 129.27 1bay s VAL 6 Ca 0.01 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1bay s VAL 6 Cb -0.14 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.42 1bay s VAL 6 CO -0.06 0.24 0.83 -0.47 0.00 0.00 0.00 175.10 175.65 1bay s TYR 7 N 1.51 -0.08 0.82 5.22 5.04 -0.65 -1.73 117.35 127.47 1bay s TYR 7 Ca 0.04 -0.38 -0.11 0.00 -2.44 0.00 0.00 57.07 54.18 1bay s TYR 7 Cb -0.16 0.72 0.08 0.00 0.35 0.00 0.00 41.96 42.95 1bay s TYR 7 CO 0.01 -1.18 1.09 -0.06 -1.34 0.00 0.00 175.55 174.07 1bay s PHE 8 N -3.24 2.65 -0.53 4.97 0.08 -1.25 -1.35 117.98 119.32 1bay s PHE 8 Ca 0.13 1.26 -0.06 0.00 0.12 0.00 0.00 56.93 58.39 1bay s PHE 8 Cb -0.04 -3.10 -0.13 0.00 -0.57 0.00 0.00 43.02 39.17 1bay s PHE 8 CO 0.07 -1.93 2.56 -2.30 -0.10 0.00 0.00 175.22 173.51 1bay n PRO 9 N -3.57 1.96 -4.09 0.24 -0.02 -1.25 -4.81 135.00 123.47 1bay n PRO 9 Ca 0.07 -1.16 -0.09 0.00 -2.02 0.00 0.00 63.50 60.30 1bay n PRO 9 Cb 0.55 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 1bay n PRO 9 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1bay s VAL 10 N 2.24 0.13 -0.07 -1.45 -7.23 -1.26 -4.27 120.40 108.50 1bay s VAL 10 Ca 0.48 -1.76 -0.18 0.00 -1.81 0.00 0.00 61.98 58.71 1bay s VAL 10 Cb 0.18 -1.83 -0.13 0.00 0.56 0.00 0.00 36.38 35.16 1bay s VAL 10 CO -0.02 -0.60 0.68 0.03 -0.31 0.00 0.00 175.10 174.87 1bay h ARG 11 N 2.89 -0.19 0.00 4.82 3.08 -0.76 -3.45 114.38 120.77 1bay h ARG 11 Ca -0.34 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1bay h ARG 11 Cb 1.19 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1bay h ARG 11 CO 0.59 0.19 0.00 0.41 -1.07 0.00 0.00 179.97 180.10 1bay n GLY 12 N 0.89 1.30 0.12 0.04 0.00 -0.09 -1.44 105.19 106.01 1bay n GLY 12 Ca -0.07 0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1bay n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bay n ARG 13 N 7.62 1.14 -0.00 1.61 1.74 -1.26 -3.96 116.66 123.55 1bay n ARG 13 Ca 0.00 -0.21 0.03 0.00 -0.77 0.00 0.00 57.85 56.90 1bay n ARG 13 Cb 0.00 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 1bay n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bay h GLU 15 N 0.00 0.95 -0.25 0.00 4.39 -1.62 -1.31 114.58 116.74 1bay h GLU 15 Ca 0.00 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1bay h GLU 15 Cb 0.24 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1bay h GLU 15 CO 0.00 0.63 0.15 0.00 -1.16 0.00 0.00 179.01 178.63 1bay h ALA 16 N 1.54 0.32 -0.14 3.43 0.00 -1.84 -0.05 119.26 122.52 1bay h ALA 16 Ca 0.32 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1bay h ALA 16 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1bay h ALA 16 CO -0.09 -0.18 -0.31 0.00 0.00 0.00 0.00 179.25 178.67 1bay h MET 17 N 0.32 0.26 -0.28 0.00 -0.00 -1.73 -1.45 114.93 112.04 1bay h MET 17 Ca 0.09 -0.10 -0.07 0.00 -0.00 0.00 0.00 59.70 59.62 1bay h MET 17 Cb 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1bay h MET 17 CO -0.02 0.55 -0.08 0.00 -0.00 0.00 0.00 176.91 177.36 1bay h ARG 18 N 0.23 0.56 -0.58 -0.10 3.08 -0.93 -0.60 114.38 116.04 1bay h ARG 18 Ca 0.03 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1bay h ARG 18 Cb 0.66 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1bay h ARG 18 CO 0.05 0.77 0.15 0.52 -1.07 0.00 0.00 179.97 180.38 1bay h MET 19 N 0.31 0.89 0.03 0.04 2.86 -0.84 -0.78 114.93 117.45 1bay h MET 19 Ca 0.07 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1bay h MET 19 Cb 0.57 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1bay h MET 19 CO 0.03 0.79 -0.02 1.25 1.06 0.00 0.00 176.91 180.03 1bay h LEU 20 N 0.86 -0.04 -0.44 1.22 6.46 -0.99 0.83 115.31 123.21 1bay h LEU 20 Ca 0.19 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1bay h LEU 20 Cb 0.30 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 1bay h LEU 20 CO -0.00 0.11 0.22 -0.07 -0.62 0.00 0.00 178.44 178.08 1bay h LEU 21 N -0.19 0.57 0.34 2.25 3.38 -0.97 -0.67 115.31 120.03 1bay h LEU 21 Ca -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1bay h LEU 21 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1bay h LEU 21 CO 0.01 0.52 -0.26 0.00 0.09 0.00 0.00 178.44 178.80 1bay h ALA 22 N 1.07 -0.60 -0.48 1.53 0.00 -1.07 -0.73 119.26 118.98 1bay h ALA 22 Ca 0.15 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1bay h ALA 22 Cb 0.10 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1bay h ALA 22 CO -0.02 -0.86 0.32 0.22 0.00 0.00 0.00 179.25 178.91 1bay h ASP 23 N -0.61 0.31 -0.29 0.00 3.58 -0.72 0.24 116.42 118.94 1bay h ASP 23 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1bay h ASP 23 Cb 0.53 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1bay h ASP 23 CO -0.01 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 176.56 1bay n GLN 24 N -4.47 2.14 -3.18 0.28 1.13 -0.27 -4.92 117.38 108.10 1bay n GLN 24 Ca 0.07 -1.25 -0.23 0.00 -1.94 0.00 0.00 57.00 53.64 1bay n GLN 24 Cb 0.29 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.18 1bay n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bay n GLY 25 N 0.71 -0.53 3.76 1.08 0.00 0.07 -5.00 105.19 105.28 1bay n GLY 25 Ca 0.11 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1bay n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bay s GLN 26 N -5.87 2.75 0.24 1.61 -1.52 -0.32 -5.04 119.66 111.52 1bay s GLN 26 Ca 0.37 -0.93 0.08 0.00 -1.95 0.00 0.00 55.36 52.94 1bay s GLN 26 Cb -0.17 -2.57 -0.04 0.00 -0.22 0.00 0.00 33.01 30.01 1bay s GLN 26 CO 0.46 0.48 0.08 -1.12 -0.25 0.00 0.00 175.29 174.94 1bay s SER 27 N -3.01 5.00 0.19 5.90 0.01 -1.26 -4.36 113.70 116.18 1bay s SER 27 Ca 0.30 -0.43 -0.19 0.00 1.31 0.00 0.00 55.95 56.94 1bay s SER 27 Cb -0.10 -1.12 0.04 0.00 0.21 0.00 0.00 66.02 65.05 1bay s SER 27 CO 0.22 0.01 0.56 -1.66 0.41 0.00 0.00 173.24 172.77 1bay s TRP 28 N -2.12 -0.24 -0.09 2.43 -2.14 -1.26 -4.46 118.94 111.05 1bay s TRP 28 Ca 0.31 -0.08 -0.05 0.00 2.66 0.00 0.00 56.10 58.94 1bay s TRP 28 Cb -0.08 0.46 -0.04 0.00 -3.10 0.00 0.00 33.47 30.72 1bay s TRP 28 CO 0.22 -0.92 0.11 0.21 -2.66 0.00 0.00 176.95 173.91 1bay s LYS 29 N -3.84 3.31 -0.24 3.25 2.47 0.28 -4.97 119.74 119.99 1bay s LYS 29 Ca 0.07 -0.23 -0.01 0.00 -1.56 0.00 0.00 55.97 54.23 1bay s LYS 29 Cb -0.01 -3.07 0.03 0.00 -1.46 0.00 0.00 37.83 33.32 1bay s LYS 29 CO -0.05 0.74 -0.07 -2.00 0.16 0.00 0.00 175.35 174.13 1bay s GLU 30 N -1.13 2.81 -0.34 4.03 2.56 -1.26 -0.66 118.70 124.71 1bay s GLU 30 Ca 0.16 -0.99 -0.09 0.00 0.00 0.00 0.00 54.97 54.05 1bay s GLU 30 Cb -0.12 -2.95 0.02 0.00 2.00 0.00 0.00 34.13 33.08 1bay s GLU 30 CO 0.06 -0.40 0.16 -1.21 -0.56 0.00 0.00 175.26 173.30 1bay s GLU 31 N 1.31 2.90 0.00 4.30 2.02 0.93 -4.96 118.70 125.20 1bay s GLU 31 Ca -0.00 -1.01 -0.20 0.00 0.02 0.00 0.00 54.97 53.77 1bay s GLU 31 Cb -0.17 -3.59 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 1bay s GLU 31 CO -0.05 -0.61 0.59 0.08 0.02 0.00 0.00 175.26 175.30 1bay s VAL 32 N 1.52 4.90 0.07 2.63 1.01 -1.26 -1.64 120.40 127.62 1bay s VAL 32 Ca 0.02 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.30 1bay s VAL 32 Cb -0.19 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1bay s VAL 32 CO 0.05 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 1bay s VAL 33 N -0.25 1.29 -0.28 2.92 1.01 -0.46 -4.94 120.40 119.70 1bay s VAL 33 Ca 0.31 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1bay s VAL 33 Cb -0.18 -1.20 -0.13 0.00 0.00 0.00 0.00 36.38 34.87 1bay s VAL 33 CO 0.17 -0.12 -0.33 0.35 0.00 0.00 0.00 175.10 175.17 1bay n THR 34 N 1.38 1.52 -3.18 3.92 -2.24 -1.26 -3.76 114.28 110.65 1bay n THR 34 Ca -0.20 -0.43 0.05 0.00 -2.27 0.00 0.00 64.05 61.20 1bay n THR 34 Cb 0.54 -1.78 -0.03 0.00 -2.10 0.00 0.00 70.33 66.96 1bay n THR 34 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1bay s ILE 35 N -2.51 -0.16 0.00 2.28 1.10 -1.26 -4.99 121.20 115.66 1bay s ILE 35 Ca -0.38 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 59.76 1bay s ILE 35 Cb 0.14 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.75 1bay s ILE 35 CO 0.51 0.00 0.00 1.67 -2.11 0.00 0.00 174.94 175.01 1bay n GLN 51 N 5.17 0.00 -4.36 3.50 7.27 -1.26 -5.24 117.38 122.46 1bay n GLN 51 Ca -0.08 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.76 1bay n GLN 51 Cb 0.55 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 33.09 1bay n GLN 51 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1bay s LEU 52 N 0.00 2.47 0.52 1.69 1.43 -1.26 -4.41 118.68 119.12 1bay s LEU 52 Ca 0.00 -0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 52.04 1bay s LEU 52 Cb 0.00 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.24 1bay s LEU 52 CO 0.00 -0.01 0.99 -2.16 0.23 0.00 0.00 176.35 175.40 1bay s PRO 53 N -2.94 3.91 -0.06 1.29 0.04 -1.26 -4.83 135.00 131.16 1bay s PRO 53 Ca 0.19 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 1bay s PRO 53 Cb -0.06 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1bay s PRO 53 CO 0.08 -0.30 0.01 0.21 0.04 0.00 0.00 177.00 177.04 1bay s LYS 54 N -4.15 2.96 -0.01 4.56 2.20 -0.70 -3.82 119.74 120.78 1bay s LYS 54 Ca 0.59 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.76 1bay s LYS 54 Cb -0.10 -2.78 -0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1bay s LYS 54 CO 0.33 0.68 -0.07 0.12 -0.36 0.00 0.00 175.35 176.05 1bay s PHE 55 N -0.97 0.72 -0.06 4.03 5.36 0.40 -1.06 117.98 126.39 1bay s PHE 55 Ca 0.16 -0.15 0.05 0.00 -0.96 0.00 0.00 56.93 56.03 1bay s PHE 55 Cb -0.11 -0.49 -0.00 0.00 -0.34 0.00 0.00 43.02 42.07 1bay s PHE 55 CO 0.06 -0.04 -0.22 -1.21 -1.46 0.00 0.00 175.22 172.35 1bay s GLU 56 N -0.02 2.42 -0.41 10.12 2.02 -0.53 0.16 118.70 132.46 1bay s GLU 56 Ca 0.01 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.22 1bay s GLU 56 Cb -0.05 -1.99 0.13 0.00 0.10 0.00 0.00 34.13 32.32 1bay s GLU 56 CO -0.00 0.28 0.21 0.34 0.02 0.00 0.00 175.26 176.11 1bay s ASP 57 N 0.06 3.59 1.88 -0.19 2.15 0.52 -2.12 116.67 122.57 1bay s ASP 57 Ca -0.08 -2.42 0.00 0.00 0.43 0.00 0.00 52.55 50.48 1bay s ASP 57 Cb -0.14 -0.91 0.00 0.00 -0.30 0.00 0.00 42.92 41.57 1bay s ASP 57 CO 0.05 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 1bay n GLY 58 N 3.80 3.96 0.00 2.66 0.00 -0.66 -1.15 105.19 113.81 1bay n GLY 58 Ca 0.08 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.27 1bay n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bay n ASP 59 N 8.22 0.03 -4.66 1.61 8.00 -1.26 -4.81 116.55 123.68 1bay n ASP 59 Ca 0.00 0.14 -0.39 0.00 0.71 0.00 0.00 54.79 55.25 1bay n ASP 59 Cb 0.00 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 40.66 1bay n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1bay s LEU 60 N -2.78 4.14 -0.14 0.64 2.96 -0.30 -5.07 118.68 118.13 1bay s LEU 60 Ca 0.21 0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 54.66 1bay s LEU 60 Cb 0.20 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1bay s LEU 60 CO 0.50 -0.14 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.45 1bay s THR 61 N 1.57 3.80 0.14 3.68 2.01 -1.26 -0.35 115.64 125.23 1bay s THR 61 Ca 0.21 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1bay s THR 61 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1bay s THR 61 CO 0.09 0.51 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.67 1bay s LEU 62 N 0.23 2.52 0.22 4.42 1.43 0.12 -4.96 118.68 122.66 1bay s LEU 62 Ca -0.03 -1.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1bay s LEU 62 Cb -0.14 -0.30 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 1bay s LEU 62 CO 0.03 -0.36 0.07 -0.31 0.23 0.00 0.00 176.35 176.02 1bay s TYR 63 N -3.38 1.37 -0.01 0.29 2.02 -1.26 -0.46 117.35 115.93 1bay s TYR 63 Ca 0.16 -1.17 -0.00 0.00 -0.37 0.00 0.00 57.07 55.69 1bay s TYR 63 Cb 0.03 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.81 1bay s TYR 63 CO -0.00 -0.35 0.01 1.04 -1.57 0.00 0.00 175.55 174.68 1bay n GLN 64 N -0.36 -0.47 -0.29 -0.62 1.13 -1.25 -4.45 117.38 111.06 1bay n GLN 64 Ca -0.02 0.80 0.21 0.00 -1.94 0.00 0.00 57.00 56.05 1bay n GLN 64 Cb 0.65 -1.09 0.50 0.00 0.11 0.00 0.00 30.24 30.42 1bay n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1bay h SER 65 N 0.39 0.45 0.77 1.08 4.64 -1.90 -0.85 113.55 118.13 1bay h SER 65 Ca -0.02 0.06 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 1bay h SER 65 Cb 0.05 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1bay h SER 65 CO 0.00 0.13 -1.01 0.78 -0.87 0.00 0.00 176.83 175.86 1bay h ASN 66 N 0.42 0.18 -0.68 4.97 2.35 -1.94 -1.10 115.58 119.79 1bay h ASN 66 Ca 0.54 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 56.06 1bay h ASN 66 Cb 1.34 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 1bay h ASN 66 CO -0.25 1.08 0.21 0.00 -1.65 0.00 0.00 177.43 176.83 1bay h ALA 67 N 0.90 0.89 -0.28 -0.83 0.00 -1.45 -1.17 119.26 117.32 1bay h ALA 67 Ca -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1bay h ALA 67 Cb 1.72 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1bay h ALA 67 CO 0.15 0.56 0.04 0.82 0.00 0.00 0.00 179.25 180.82 1bay h ILE 68 N 0.99 1.24 -0.49 0.00 2.04 -1.18 -1.17 117.51 118.94 1bay h ILE 68 Ca 0.22 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1bay h ILE 68 Cb 0.30 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1bay h ILE 68 CO -0.01 0.26 0.29 -0.07 0.00 0.00 0.00 178.15 178.62 1bay h LEU 69 N 0.27 0.46 -0.85 1.44 3.38 -0.99 -1.18 115.31 117.84 1bay h LEU 69 Ca 0.08 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1bay h LEU 69 Cb 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1bay h LEU 69 CO 0.01 0.33 -0.00 0.03 0.09 0.00 0.00 178.44 178.89 1bay h ARG 70 N 0.57 0.85 -0.62 1.13 3.08 -1.12 0.59 114.38 118.86 1bay h ARG 70 Ca 0.20 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1bay h ARG 70 Cb 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1bay h ARG 70 CO -0.10 0.85 0.25 1.25 -1.07 0.00 0.00 179.97 181.16 1bay h HIS 71 N 0.79 0.94 -0.01 3.04 2.76 -0.79 0.63 115.15 122.50 1bay h HIS 71 Ca 0.15 -0.07 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 1bay h HIS 71 Cb 0.48 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1bay h HIS 71 CO 0.03 0.74 -0.46 -0.07 -1.30 0.00 0.00 177.93 176.87 1bay h LEU 72 N 0.86 0.03 -0.43 0.26 3.38 -0.97 -1.74 115.31 116.71 1bay h LEU 72 Ca 0.21 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1bay h LEU 72 Cb 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1bay h LEU 72 CO -0.02 0.49 -0.06 1.23 0.09 0.00 0.00 178.44 180.17 1bay h GLY 73 N 1.37 0.86 0.72 0.83 0.00 -0.13 -1.63 103.07 105.08 1bay h GLY 73 Ca -0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 1bay h GLY 73 CO 0.06 0.62 -0.13 3.21 0.00 0.00 0.00 176.54 180.30 1bay h ARG 74 N 0.62 0.32 0.00 4.80 3.08 -0.68 0.11 114.38 122.63 1bay h ARG 74 Ca 0.11 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1bay h ARG 74 Cb 0.57 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1bay h ARG 74 CO 0.03 0.71 -0.60 0.66 -1.07 0.00 0.00 179.97 179.71 1bay h SER 75 N -0.07 0.00 -0.17 7.04 4.64 -1.38 -3.27 113.55 120.35 1bay h SER 75 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1bay h SER 75 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1bay h SER 75 CO 0.03 0.60 0.00 0.18 -0.87 0.00 0.00 176.83 176.77 1bay n LEU 76 N -3.42 3.12 -1.65 5.97 4.77 -0.61 -4.98 117.00 120.19 1bay n LEU 76 Ca 0.00 -1.17 -0.08 0.00 -0.03 0.00 0.00 56.01 54.74 1bay n LEU 76 Cb 0.70 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1bay n LEU 76 CO 0.41 0.58 0.07 0.61 -1.33 0.00 0.00 177.39 177.74 1bay n GLY 77 N 1.40 0.37 2.26 -0.72 0.00 -1.05 -4.98 105.19 102.47 1bay n GLY 77 Ca 0.16 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1bay n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bay n LEU 78 N -2.07 4.25 -1.29 0.99 4.77 0.37 -4.73 117.00 119.28 1bay n LEU 78 Ca -0.02 -4.56 0.02 0.00 -0.03 0.00 0.00 56.01 51.42 1bay n LEU 78 Cb 0.53 -0.21 0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1bay n LEU 78 CO 0.22 1.96 0.19 0.00 -1.33 0.00 0.00 177.39 178.43 1bay n TYR 79 N -0.62 0.38 -0.85 -1.77 4.19 -1.21 -1.83 117.16 115.45 1bay n TYR 79 Ca 0.36 -1.23 0.01 0.00 3.31 0.00 0.00 57.90 60.35 1bay n TYR 79 Cb 0.87 -0.22 -0.00 0.00 0.49 0.00 0.00 39.34 40.48 1bay n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1bay n GLY 80 N -0.40 -2.21 0.17 2.98 0.00 -1.26 -4.29 105.19 100.18 1bay n GLY 80 Ca 0.15 -1.50 0.04 0.00 0.00 0.00 0.00 46.02 44.71 1bay n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bay n LYS 81 N -0.96 2.16 -3.61 1.61 2.85 -1.26 -4.97 118.16 113.99 1bay n LYS 81 Ca 0.00 -0.53 -0.09 0.00 -1.05 0.00 0.00 58.31 56.64 1bay n LYS 81 Cb 0.03 -1.01 0.02 0.00 -0.65 0.00 0.00 35.03 33.42 1bay n LYS 81 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1bay n ASN 82 N -0.28 -2.08 -0.09 -5.58 0.23 -1.26 -5.05 115.26 101.15 1bay n ASN 82 Ca 0.03 -2.51 -0.08 0.00 -0.53 0.00 0.00 54.58 51.49 1bay n ASN 82 Cb 0.16 3.49 -0.00 0.00 -2.08 0.00 0.00 39.78 41.34 1bay n ASN 82 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1bay h GLN 83 N 0.00 0.32 -0.49 -3.83 4.20 -1.97 -1.54 115.11 111.79 1bay h GLN 83 Ca -0.31 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.39 1bay h GLN 83 Cb 1.15 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 1bay h GLN 83 CO 0.39 0.21 0.32 -0.09 -0.67 0.00 0.00 178.83 178.99 1bay h ARG 84 N 0.33 0.63 -0.47 1.46 2.43 -1.98 -0.11 114.38 116.66 1bay h ARG 84 Ca 0.13 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 1bay h ARG 84 Cb 0.04 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1bay h ARG 84 CO -0.09 0.41 -0.10 0.93 -1.51 0.00 0.00 179.97 179.62 1bay h GLU 85 N 0.64 0.90 -0.62 0.20 5.08 -1.91 -0.10 114.58 118.77 1bay h GLU 85 Ca 0.19 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1bay h GLU 85 Cb -0.05 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1bay h GLU 85 CO -0.05 0.98 0.41 0.00 -1.00 0.00 0.00 179.01 179.35 1bay h ALA 86 N 0.89 0.79 -0.38 3.43 0.00 -1.08 0.45 119.26 123.36 1bay h ALA 86 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bay h ALA 86 Cb 0.64 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1bay h ALA 86 CO 0.04 0.21 0.08 0.00 0.00 0.00 0.00 179.25 179.59 1bay h ALA 87 N 1.23 0.50 -0.56 0.00 0.00 -0.75 -1.57 119.26 118.11 1bay h ALA 87 Ca 0.23 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1bay h ALA 87 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1bay h ALA 87 CO -0.05 0.19 -0.01 1.96 0.00 0.00 0.00 179.25 181.34 1bay h GLN 88 N 0.47 0.98 -0.74 0.00 4.20 -0.74 -1.86 115.11 117.42 1bay h GLN 88 Ca 0.12 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1bay h GLN 88 Cb 0.33 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1bay h GLN 88 CO 0.00 0.97 0.41 0.52 -0.67 0.00 0.00 178.83 180.07 1bay h MET 89 N 0.90 1.03 -0.83 1.46 2.86 -0.69 -0.33 114.93 119.33 1bay h MET 89 Ca 0.16 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1bay h MET 89 Cb 0.54 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1bay h MET 89 CO 0.03 0.77 0.42 -0.44 1.06 0.00 0.00 176.91 178.74 1bay h ASP 90 N 1.02 1.08 0.18 1.22 3.32 -1.01 -1.16 116.42 121.07 1bay h ASP 90 Ca 0.26 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1bay h ASP 90 Cb 0.03 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1bay h ASP 90 CO -0.04 0.90 -0.09 -0.03 -1.72 0.00 0.00 179.24 178.26 1bay h MET 91 N 1.18 -0.24 -0.09 3.56 4.05 -0.47 -0.41 114.93 122.51 1bay h MET 91 Ca 0.29 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.75 1bay h MET 91 Cb 0.09 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1bay h MET 91 CO -0.04 -0.15 -0.08 0.28 0.23 0.00 0.00 176.91 177.15 1bay h VAL 92 N -0.25 0.76 -0.72 -5.77 2.07 -0.86 -1.35 116.25 110.13 1bay h VAL 92 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1bay h VAL 92 Cb 0.19 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1bay h VAL 92 CO 0.04 0.00 0.47 -1.13 0.02 0.00 0.00 177.57 176.97 1bay h ASN 93 N -0.10 0.80 -0.85 0.57 -1.24 -1.05 0.84 115.58 114.54 1bay h ASN 93 Ca 0.06 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.07 1bay h ASN 93 Cb 0.19 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1bay h ASN 93 CO -0.15 0.57 0.56 0.44 -1.29 0.00 0.00 177.43 177.56 1bay h ASP 94 N 0.95 0.99 -0.38 1.15 5.19 -0.76 0.15 116.42 123.71 1bay h ASP 94 Ca 0.27 -0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1bay h ASP 94 Cb -0.06 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.18 1bay h ASP 94 CO -0.08 0.72 0.09 1.23 -3.12 0.00 0.00 179.24 178.09 1bay h GLY 95 N 1.16 0.66 0.74 2.75 0.00 -0.27 -1.38 103.07 106.73 1bay h GLY 95 Ca 0.31 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.28 1bay h GLY 95 CO -0.07 0.38 0.39 -2.08 0.00 0.00 0.00 176.54 175.17 1bay h VAL 96 N 0.47 1.01 -0.17 4.60 2.07 -0.08 -1.82 116.25 122.34 1bay h VAL 96 Ca 0.12 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1bay h VAL 96 Cb 0.31 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1bay h VAL 96 CO 0.00 0.13 -0.22 -0.08 0.02 0.00 0.00 177.57 177.42 1bay h GLU 97 N 0.73 0.30 -0.36 1.57 4.57 -0.41 -1.41 114.58 119.56 1bay h GLU 97 Ca 0.29 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1bay h GLU 97 Cb 0.13 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1bay h GLU 97 CO -0.16 0.51 0.06 -0.44 -1.18 0.00 0.00 179.01 177.81 1bay h ASP 98 N 0.27 0.57 -0.13 1.04 3.32 -0.41 -0.34 116.42 120.74 1bay h ASP 98 Ca 0.05 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.72 1bay h ASP 98 Cb 0.55 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1bay h ASP 98 CO 0.04 0.68 -0.34 0.25 -1.72 0.00 0.00 179.24 178.15 1bay h LEU 99 N 0.44 0.65 -0.92 1.55 5.85 -1.31 -2.66 115.31 118.91 1bay h LEU 99 Ca 0.11 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1bay h LEU 99 Cb 0.35 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1bay h LEU 99 CO 0.01 0.94 0.19 -0.09 -0.34 0.00 0.00 178.44 179.15 1bay h ARG 100 N 0.53 0.98 -0.68 1.25 2.43 -0.93 -0.22 114.38 117.73 1bay h ARG 100 Ca 0.06 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 1bay h ARG 100 Cb 0.84 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1bay h ARG 100 CO 0.07 0.85 0.14 0.78 -1.51 0.00 0.00 179.97 180.30 1bay h GLY 101 N 1.04 1.19 0.84 2.80 0.00 -0.90 -0.81 103.07 107.23 1bay h GLY 101 Ca 0.21 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1bay h GLY 101 CO -0.01 0.71 0.04 0.50 0.00 0.00 0.00 176.54 177.78 1bay h LYS 102 N 1.04 0.21 -0.35 4.80 1.57 -1.05 -2.53 116.57 120.26 1bay h LYS 102 Ca 0.21 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 1bay h LYS 102 Cb 0.40 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 1bay h LYS 102 CO 0.01 0.35 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.25 1bay h TYR 103 N 0.03 -0.13 -0.54 -1.35 3.20 -0.84 -1.13 116.97 116.20 1bay h TYR 103 Ca 0.04 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1bay h TYR 103 Cb 0.23 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1bay h TYR 103 CO 0.00 -0.12 0.30 0.28 -1.64 0.00 0.00 178.16 176.98 1bay h VAL 104 N 0.03 1.00 -0.70 1.81 2.07 -1.07 -0.99 116.25 118.40 1bay h VAL 104 Ca 0.17 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1bay h VAL 104 Cb 0.25 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1bay h VAL 104 CO -0.33 0.11 0.43 0.74 0.02 0.00 0.00 177.57 178.53 1bay h THR 105 N 0.58 1.05 0.56 2.57 2.02 -0.92 0.37 112.91 119.15 1bay h THR 105 Ca 0.23 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1bay h THR 105 Cb 0.10 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1bay h THR 105 CO -0.14 0.15 -0.27 0.25 0.37 0.00 0.00 175.52 175.88 1bay h LEU 106 N 0.81 -0.64 -0.72 2.58 5.85 -0.55 0.21 115.31 122.86 1bay h LEU 106 Ca 0.30 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.16 1bay h LEU 106 Cb 0.09 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 41.15 1bay h LEU 106 CO -0.14 -0.45 -0.34 0.40 -0.34 0.00 0.00 178.44 177.58 1bay h ILE 107 N -0.76 0.13 0.00 4.05 1.08 -0.96 -0.71 117.51 120.34 1bay h ILE 107 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1bay h ILE 107 Cb 0.58 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 1bay h ILE 107 CO 0.13 0.00 -0.63 1.88 -0.69 0.00 0.00 178.15 178.83 1bay h TYR 108 N -0.10 0.00 0.00 1.37 0.05 -0.97 -3.40 116.97 113.92 1bay h TYR 108 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1bay h TYR 108 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1bay h TYR 108 CO -0.70 0.00 -0.21 0.25 -1.05 0.00 0.00 178.16 176.45 1bay n THR 109 N -2.50 0.00 -2.70 -2.88 -2.24 0.06 -4.92 114.28 99.11 1bay n THR 109 Ca 0.02 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.61 1bay n THR 109 Cb 0.50 0.67 0.10 0.00 -2.10 0.00 0.00 70.33 69.50 1bay n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1bay n ASN 110 N -0.60 -0.97 0.11 3.42 5.15 -0.38 -5.00 115.26 116.99 1bay n ASN 110 Ca 0.00 -2.43 -0.13 0.00 -0.60 0.00 0.00 54.58 51.42 1bay n ASN 110 Cb 0.00 0.57 -0.08 0.00 -0.53 0.00 0.00 39.78 39.74 1bay n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1bay h TYR 111 N 2.03 -0.22 0.68 1.20 3.20 -1.47 -0.04 116.97 122.35 1bay h TYR 111 Ca -0.27 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.57 1bay h TYR 111 Cb 1.28 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 1bay h TYR 111 CO 0.18 0.00 -0.40 0.93 -1.64 0.00 0.00 178.16 177.24 1bay h GLU 112 N -0.42 -0.98 0.13 1.82 3.07 -1.94 -2.19 114.58 114.07 1bay h GLU 112 Ca -0.02 0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1bay h GLU 112 Cb 0.33 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1bay h GLU 112 CO 0.04 -0.65 -0.06 -0.91 -1.40 0.00 0.00 179.01 176.03 1bay h ASN 113 N -1.01 -0.14 0.59 1.42 -0.26 -1.98 -3.36 115.58 110.83 1bay h ASN 113 Ca -0.09 -0.39 -0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1bay h ASN 113 Cb 0.81 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 38.11 1bay h ASN 113 CO 0.10 0.46 -0.01 1.23 -1.06 0.00 0.00 177.43 178.15 1bay h GLY 114 N -0.89 0.00 -0.03 2.83 0.00 -1.13 -3.32 103.07 100.52 1bay h GLY 114 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.40 1bay h GLY 114 CO 0.03 0.00 -0.21 1.70 0.00 0.00 0.00 176.54 178.05 1bay h LYS 115 N 0.00 -0.13 -0.22 4.80 3.64 -1.46 -1.58 116.57 121.62 1bay h LYS 115 Ca -0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1bay h LYS 115 Cb 0.31 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1bay h LYS 115 CO 0.00 -0.09 -0.28 -0.91 -2.27 0.00 0.00 179.45 175.90 1bay h ASN 116 N -0.14 -0.90 -0.85 4.20 4.21 -1.83 -1.60 115.58 118.67 1bay h ASN 116 Ca 0.20 0.15 0.03 0.00 1.21 0.00 0.00 56.30 57.89 1bay h ASN 116 Cb 0.45 0.41 -0.05 0.00 -1.12 0.00 0.00 38.32 38.00 1bay h ASN 116 CO -0.50 -0.31 0.55 0.44 -1.29 0.00 0.00 177.43 176.32 1bay h ASP 117 N -0.30 0.92 0.20 5.81 3.32 -1.68 -2.79 116.42 121.90 1bay h ASP 117 Ca 0.13 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1bay h ASP 117 Cb 0.50 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1bay h ASP 117 CO -0.39 0.64 -0.10 0.22 -1.72 0.00 0.00 179.24 177.89 1bay h TYR 118 N 1.08 -0.25 -0.72 4.55 5.03 -0.61 -2.50 116.97 123.54 1bay h TYR 118 Ca 0.34 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.68 1bay h TYR 118 Cb -0.01 0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.31 1bay h TYR 118 CO -0.02 -0.16 0.48 0.28 -1.32 0.00 0.00 178.16 177.42 1bay h VAL 119 N -0.27 1.10 -0.09 1.81 2.07 -1.11 0.18 116.25 119.93 1bay h VAL 119 Ca -0.03 -0.29 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 1bay h VAL 119 Cb 0.21 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1bay h VAL 119 CO 0.05 0.16 -0.68 0.07 0.02 0.00 0.00 177.57 177.19 1bay h LYS 120 N 0.86 0.37 0.00 1.57 2.10 -1.43 -3.09 116.57 116.95 1bay h LYS 120 Ca 0.29 -0.28 -0.07 0.00 -2.00 0.00 0.00 60.65 58.59 1bay h LYS 120 Cb 0.08 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 1bay h LYS 120 CO -0.08 0.91 -0.35 0.00 -2.00 0.00 0.00 179.45 177.93 1bay h ALA 121 N 1.01 0.82 -0.48 0.07 0.00 -0.92 -3.36 119.26 116.41 1bay h ALA 121 Ca -0.02 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.67 1bay h ALA 121 Cb 1.23 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1bay h ALA 121 CO 0.11 0.43 -0.27 1.25 0.00 0.00 0.00 179.25 180.78 1bay h LEU 122 N 0.00 -0.92 -1.97 0.00 5.85 -0.59 -1.37 115.31 116.31 1bay h LEU 122 Ca -0.00 0.19 0.17 0.00 0.84 0.00 0.00 57.88 59.08 1bay h LEU 122 Cb 1.14 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 1bay h LEU 122 CO 0.05 -0.28 0.51 1.55 -0.34 0.00 0.00 178.44 179.92 1bay h PRO 123 N -0.16 0.00 0.00 5.25 0.13 -1.75 0.26 132.00 135.73 1bay h PRO 123 Ca 0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.33 1bay h PRO 123 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1bay h PRO 123 CO -0.58 0.00 -0.09 0.78 -0.23 0.00 0.00 178.00 177.88 1bay h GLY 124 N 0.00 0.00 0.94 1.56 0.00 -1.51 -2.75 103.07 101.32 1bay h GLY 124 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.35 1bay h GLY 124 CO -0.00 0.00 -1.66 1.42 0.00 0.00 0.00 176.54 176.29 1bay n HIS 125 N -3.26 0.96 0.08 5.60 8.25 0.89 -4.25 115.22 123.48 1bay n HIS 125 Ca -0.00 0.34 -0.16 0.00 -0.26 0.00 0.00 57.72 57.64 1bay n HIS 125 Cb 0.33 -1.15 -0.08 0.00 1.12 0.00 0.00 29.99 30.20 1bay n HIS 125 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1bay h LEU 126 N 0.00 0.56 -0.93 2.41 4.07 -1.36 -3.36 115.31 116.69 1bay h LEU 126 Ca -0.26 -0.50 0.20 0.00 0.08 0.00 0.00 57.88 57.40 1bay h LEU 126 Cb 1.92 -0.17 -0.18 0.00 1.08 0.00 0.00 40.66 43.31 1bay h LEU 126 CO 0.07 1.32 -0.17 0.50 -1.08 0.00 0.00 178.44 179.08 1bay h LYS 127 N 0.19 0.01 -0.97 1.13 1.63 -1.67 0.85 116.57 117.74 1bay h LYS 127 Ca -0.11 -0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.82 1bay h LYS 127 Cb 1.74 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.29 1bay h LYS 127 CO 0.19 0.01 0.61 -1.35 -3.45 0.00 0.00 179.45 175.45 1bay h PRO 128 N 0.01 0.84 -0.20 1.90 0.11 -1.81 0.43 132.00 133.28 1bay h PRO 128 Ca 0.47 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.37 1bay h PRO 128 Cb 0.78 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1bay h PRO 128 CO -0.93 0.56 -0.53 0.74 -0.21 0.00 0.00 178.00 177.62 1bay h PHE 129 N 0.87 0.73 -0.41 0.65 0.04 -1.06 -1.40 116.94 116.35 1bay h PHE 129 Ca 0.49 -0.25 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 1bay h PHE 129 Cb 0.62 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1bay h PHE 129 CO -0.00 0.99 0.18 1.49 -0.60 0.00 0.00 178.31 180.36 1bay h GLU 130 N 0.45 0.60 0.05 1.51 4.57 -0.78 -1.50 114.58 119.49 1bay h GLU 130 Ca 0.01 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1bay h GLU 130 Cb 1.08 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 1bay h GLU 130 CO 0.10 0.55 -0.13 1.15 -1.18 0.00 0.00 179.01 179.50 1bay h THR 131 N 0.52 0.69 -0.78 0.32 2.02 -0.80 -1.53 112.91 113.34 1bay h THR 131 Ca 0.14 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.40 1bay h THR 131 Cb 0.16 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 1bay h THR 131 CO -0.01 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 176.26 1bay h LEU 132 N -0.25 0.66 -0.14 2.58 4.07 -1.05 -1.70 115.31 119.48 1bay h LEU 132 Ca 0.03 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1bay h LEU 132 Cb 0.28 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1bay h LEU 132 CO -0.09 0.40 0.09 -0.07 -1.08 0.00 0.00 178.44 177.69 1bay h LEU 133 N 0.79 0.17 -1.36 1.67 3.38 -0.82 -2.37 115.31 116.76 1bay h LEU 133 Ca 0.37 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.36 1bay h LEU 133 Cb 0.28 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1bay h LEU 133 CO -0.22 0.14 0.47 0.77 0.09 0.00 0.00 178.44 179.70 1bay h SER 134 N 0.18 0.69 0.79 -0.43 4.64 -0.75 0.41 113.55 119.08 1bay h SER 134 Ca 0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1bay h SER 134 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1bay h SER 134 CO -0.01 0.46 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 1bay n GLN 135 N -4.47 0.15 -3.80 4.77 6.02 -0.69 -3.12 117.38 116.24 1bay n GLN 135 Ca 0.10 0.34 -0.35 0.00 -0.01 0.00 0.00 57.00 57.07 1bay n GLN 135 Cb 0.19 -1.76 -0.12 0.00 1.02 0.00 0.00 30.24 29.57 1bay n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1bay s ASN 136 N -3.95 5.17 -1.48 1.08 2.47 -0.16 -4.74 114.94 113.34 1bay s ASN 136 Ca 0.06 -2.21 -0.12 0.00 0.42 0.00 0.00 52.86 51.01 1bay s ASN 136 Cb 0.10 -1.81 0.08 0.00 -1.45 0.00 0.00 41.25 38.18 1bay s ASN 136 CO 0.40 -0.49 0.77 0.00 -3.72 0.00 0.00 177.10 174.06 1bay n GLN 137 N 4.33 -4.52 -2.37 0.43 6.02 -1.26 -0.76 117.38 119.25 1bay n GLN 137 Ca 0.00 0.56 -0.18 0.00 -0.01 0.00 0.00 57.00 57.37 1bay n GLN 137 Cb 0.40 -5.38 -0.01 0.00 1.02 0.00 0.00 30.24 26.28 1bay n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bay n GLY 138 N -1.48 -0.39 2.42 1.08 0.00 -1.18 -2.18 105.19 103.46 1bay n GLY 138 Ca 0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1bay n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bay n GLY 139 N -1.03 0.54 0.32 -0.02 0.00 0.13 -4.77 105.19 100.36 1bay n GLY 139 Ca -0.22 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1bay n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bay n LYS 140 N -2.62 0.84 0.00 1.61 4.76 -0.92 -4.80 118.16 117.02 1bay n LYS 140 Ca -0.20 -0.65 0.00 0.00 -2.87 0.00 0.00 58.31 54.59 1bay n LYS 140 Cb 0.63 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1bay n LYS 140 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bay n ALA 141 N -0.52 0.00 -2.58 7.82 0.00 -1.26 -5.12 120.51 118.86 1bay n ALA 141 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 1bay n ALA 141 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 1bay n ALA 141 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1bay s PHE 142 N 2.93 1.80 0.22 0.00 0.08 -1.23 -5.04 117.98 116.74 1bay s PHE 142 Ca 0.00 -0.88 -0.09 0.00 0.12 0.00 0.00 56.93 56.07 1bay s PHE 142 Cb 0.00 -1.77 0.18 0.00 -0.57 0.00 0.00 43.02 40.86 1bay s PHE 142 CO 0.00 -0.09 1.89 0.97 -0.10 0.00 0.00 175.22 177.88 1bay h ILE 143 N 1.08 1.21 -3.30 0.64 6.09 -1.97 -3.41 117.51 117.86 1bay h ILE 143 Ca -0.41 -0.40 -0.41 0.00 -1.37 0.00 0.00 64.86 62.27 1bay h ILE 143 Cb 1.31 0.03 -0.38 0.00 0.47 0.00 0.00 36.82 38.25 1bay h ILE 143 CO 0.66 0.21 -0.76 -0.69 -3.07 0.00 0.00 178.15 174.50 1bay s VAL 144 N -6.10 0.26 0.00 2.19 1.01 -1.26 -4.71 120.40 111.79 1bay s VAL 144 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1bay s VAL 144 Cb 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1bay s VAL 144 CO 0.79 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.73 1bay n GLY 145 N 5.02 -2.00 0.64 4.51 0.00 -1.26 -4.52 105.19 107.58 1bay n GLY 145 Ca -0.09 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.44 1bay n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bay n ASP 146 N 0.73 2.32 -4.31 1.61 5.75 -1.26 -3.50 116.55 117.89 1bay n ASP 146 Ca 0.00 -1.66 -0.21 0.00 -0.01 0.00 0.00 54.79 52.91 1bay n ASP 146 Cb 0.00 0.32 -0.11 0.00 -1.03 0.00 0.00 41.12 40.29 1bay n ASP 146 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1bay s GLN 147 N -2.32 1.20 0.59 0.11 -0.21 -1.26 -4.82 119.66 112.95 1bay s GLN 147 Ca 0.22 -1.33 -0.18 0.00 0.02 0.00 0.00 55.36 54.09 1bay s GLN 147 Cb 0.19 -1.27 -0.04 0.00 1.00 0.00 0.00 33.01 32.89 1bay s GLN 147 CO 0.48 0.26 1.13 -1.50 -2.12 0.00 0.00 175.29 173.54 1bay s ILE 148 N -1.90 3.15 0.25 1.08 2.07 -1.26 -4.81 121.20 119.77 1bay s ILE 148 Ca 0.13 0.65 0.02 0.00 -1.41 0.00 0.00 60.65 60.03 1bay s ILE 148 Cb -0.06 -3.21 -0.04 0.00 0.13 0.00 0.00 42.46 39.28 1bay s ILE 148 CO 0.06 -0.22 0.19 -0.94 -1.91 0.00 0.00 174.94 172.12 1bay s SER 149 N -2.05 0.70 0.52 4.50 1.04 -1.26 -4.76 113.70 112.39 1bay s SER 149 Ca 0.71 -1.52 0.22 0.00 0.48 0.00 0.00 55.95 55.85 1bay s SER 149 Cb -0.23 0.45 1.34 0.00 0.10 0.00 0.00 66.02 67.68 1bay s SER 149 CO 0.33 -0.93 2.04 2.19 0.98 0.00 0.00 173.24 177.84 1bay h PHE 150 N 2.43 0.02 -0.54 5.02 -0.00 -1.70 -1.57 116.94 120.60 1bay h PHE 150 Ca -0.32 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.56 1bay h PHE 150 Cb 1.24 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 37.16 1bay h PHE 150 CO 0.85 0.01 -0.03 0.00 -0.00 0.00 0.00 178.31 179.14 1bay h ALA 151 N 1.81 0.93 -0.68 12.09 0.00 -1.90 -2.93 119.26 128.57 1bay h ALA 151 Ca 0.18 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1bay h ALA 151 Cb 0.71 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1bay h ALA 151 CO -0.01 0.64 0.43 -0.44 0.00 0.00 0.00 179.25 179.87 1bay h ASP 152 N 0.86 0.71 -0.60 0.00 3.32 -1.68 -0.86 116.42 118.18 1bay h ASP 152 Ca 0.15 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1bay h ASP 152 Cb 0.55 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1bay h ASP 152 CO 0.03 0.50 0.07 1.88 -1.72 0.00 0.00 179.24 180.00 1bay h TYR 153 N 0.85 1.10 -0.16 4.55 0.05 -1.56 -0.58 116.97 121.23 1bay h TYR 153 Ca 0.27 -0.16 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 1bay h TYR 153 Cb 0.00 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.43 1bay h TYR 153 CO -0.04 0.94 -0.06 -0.97 -1.05 0.00 0.00 178.16 176.98 1bay h ASN 154 N 0.97 0.34 -0.25 3.88 -0.00 -1.29 -2.39 115.58 116.83 1bay h ASN 154 Ca 0.19 -0.40 -0.00 0.00 -0.00 0.00 0.00 56.30 56.09 1bay h ASN 154 Cb 0.46 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.67 1bay h ASN 154 CO 0.02 0.66 0.14 0.25 -0.00 0.00 0.00 177.43 178.49 1bay h LEU 155 N 0.01 0.31 -0.42 0.34 5.85 -1.06 -1.86 115.31 118.48 1bay h LEU 155 Ca 0.04 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.76 1bay h LEU 155 Cb 0.52 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 1bay h LEU 155 CO 0.02 0.30 -0.06 0.25 -0.34 0.00 0.00 178.44 178.60 1bay h LEU 156 N 0.29 -0.31 -0.58 2.25 6.46 -1.09 -0.19 115.31 122.14 1bay h LEU 156 Ca 0.09 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1bay h LEU 156 Cb 0.05 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 1bay h LEU 156 CO -0.01 -0.11 0.38 -0.78 -0.62 0.00 0.00 178.44 177.30 1bay h ASP 157 N 0.04 0.67 -0.86 1.25 3.58 -1.22 -1.35 116.42 118.54 1bay h ASP 157 Ca 0.21 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.66 1bay h ASP 157 Cb 0.31 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 1bay h ASP 157 CO -0.40 0.49 0.56 0.25 -2.88 0.00 0.00 179.24 177.26 1bay h LEU 158 N 0.79 0.94 -0.37 2.28 5.85 -0.33 -2.45 115.31 122.02 1bay h LEU 158 Ca 0.21 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 1bay h LEU 158 Cb -0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1bay h LEU 158 CO -0.05 0.65 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.44 1bay h LEU 159 N 1.10 0.81 -0.35 2.25 3.38 -0.72 -2.76 115.31 119.01 1bay h LEU 159 Ca 0.34 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1bay h LEU 159 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1bay h LEU 159 CO -0.11 1.04 0.21 -0.07 0.09 0.00 0.00 178.44 179.61 1bay h LEU 160 N 0.57 0.35 -1.16 1.67 3.38 -0.96 -1.62 115.31 117.55 1bay h LEU 160 Ca 0.08 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1bay h LEU 160 Cb 0.75 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1bay h LEU 160 CO 0.06 0.26 -0.28 0.16 0.09 0.00 0.00 178.44 178.73 1bay h ILE 161 N 0.44 0.72 -0.02 1.22 3.07 -1.49 -2.95 117.51 118.49 1bay h ILE 161 Ca 0.13 -1.21 -0.19 0.00 1.55 0.00 0.00 64.86 65.14 1bay h ILE 161 Cb -0.02 1.77 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1bay h ILE 161 CO -0.05 0.27 -0.84 0.45 -1.05 0.00 0.00 178.15 176.93 1bay h HIS 162 N 0.00 0.39 0.00 0.16 3.86 -1.13 -1.19 115.15 117.25 1bay h HIS 162 Ca -0.00 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 58.97 1bay h HIS 162 Cb 0.75 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1bay h HIS 162 CO 0.00 0.99 -0.18 1.96 0.86 0.00 0.00 177.93 181.56 1bay h GLN 163 N 0.17 0.00 0.11 2.45 4.20 -1.15 0.20 115.11 121.09 1bay h GLN 163 Ca -0.04 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.38 1bay h GLN 163 Cb 1.44 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.24 1bay h GLN 163 CO 0.13 0.18 -1.21 0.28 -0.67 0.00 0.00 178.83 177.55 1bay h VAL 164 N 0.00 1.34 -0.31 -0.54 2.07 -1.36 -2.63 116.25 114.82 1bay h VAL 164 Ca -0.00 -2.57 -0.14 0.00 0.82 0.00 0.00 66.70 64.81 1bay h VAL 164 Cb 0.35 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1bay h VAL 164 CO 0.02 0.77 -0.38 0.25 0.02 0.00 0.00 177.57 178.26 1bay h LEU 165 N 0.23 0.77 -6.31 2.57 7.12 -0.25 -3.40 115.31 116.05 1bay h LEU 165 Ca -0.16 -0.34 -0.33 0.00 0.13 0.00 0.00 57.88 57.18 1bay h LEU 165 Cb 1.88 -0.22 -0.29 0.00 -0.53 0.00 0.00 40.66 41.50 1bay h LEU 165 CO 0.22 1.07 -0.66 0.00 -0.13 0.00 0.00 178.44 178.94 1bay s ALA 166 N -4.34 -0.67 0.26 1.25 0.00 0.63 -5.09 121.76 113.79 1bay s ALA 166 Ca -0.09 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 1bay s ALA 166 Cb 0.12 -2.14 -0.13 0.00 0.00 0.00 0.00 23.12 20.97 1bay s ALA 166 CO 0.85 -2.15 1.46 -2.30 0.00 0.00 0.00 175.76 173.62 1bay n PRO 167 N 4.27 2.24 -0.67 0.00 -0.02 -0.99 -1.93 135.00 137.90 1bay n PRO 167 Ca 0.11 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1bay n PRO 167 Cb 0.47 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1bay n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bay n GLY 168 N 2.06 0.80 0.34 -1.23 0.00 -1.26 -4.91 105.19 100.98 1bay n GLY 168 Ca 0.10 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.35 1bay n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bay n LEU 170 N -3.09 4.01 -0.09 0.00 4.77 -1.26 -4.47 117.00 116.86 1bay n LEU 170 Ca -0.03 -2.04 -0.09 0.00 -0.03 0.00 0.00 56.01 53.82 1bay n LEU 170 Cb 0.07 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1bay n LEU 170 CO 0.20 0.97 0.96 0.44 -1.33 0.00 0.00 177.39 178.63 1bay h ASP 171 N 4.22 0.38 0.00 -1.43 3.32 -1.31 -2.09 116.42 119.51 1bay h ASP 171 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1bay h ASP 171 Cb 1.03 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1bay h ASP 171 CO 0.02 0.34 0.00 -3.20 -1.72 0.00 0.00 179.24 174.68 1bay n ASN 172 N -4.82 0.12 -3.61 6.45 5.15 -1.26 -4.31 115.26 112.98 1bay n ASN 172 Ca -0.01 -1.85 -0.28 0.00 -0.60 0.00 0.00 54.58 51.83 1bay n ASN 172 Cb 0.07 -0.06 -0.12 0.00 -0.53 0.00 0.00 39.78 39.14 1bay n ASN 172 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1bay s PHE 173 N -1.87 1.81 0.44 1.20 0.08 -0.78 -4.99 117.98 113.87 1bay s PHE 173 Ca 0.00 -2.43 0.17 0.00 0.12 0.00 0.00 56.93 54.78 1bay s PHE 173 Cb 0.00 -1.60 1.08 0.00 -0.57 0.00 0.00 43.02 41.93 1bay s PHE 173 CO 0.00 -0.76 2.00 -1.00 -0.10 0.00 0.00 175.22 175.36 1bay h PRO 174 N 6.22 0.00 0.12 0.24 0.13 -1.75 -0.58 132.00 136.38 1bay h PRO 174 Ca 0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.05 1bay h PRO 174 Cb 0.90 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.05 1bay h PRO 174 CO 0.46 0.18 -0.82 -0.07 -0.23 0.00 0.00 178.00 177.52 1bay h LEU 175 N 0.00 0.51 -0.38 1.56 3.38 -1.94 -1.96 115.31 116.49 1bay h LEU 175 Ca -0.00 -0.91 -0.04 0.00 0.09 0.00 0.00 57.88 57.02 1bay h LEU 175 Cb 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1bay h LEU 175 CO 0.02 1.38 0.08 -0.07 0.09 0.00 0.00 178.44 179.94 1bay h LEU 176 N -0.27 0.58 -0.40 1.67 3.38 -1.90 0.63 115.31 119.00 1bay h LEU 176 Ca -0.14 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.65 1bay h LEU 176 Cb 1.61 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 1bay h LEU 176 CO 0.15 0.68 0.12 -1.28 0.09 0.00 0.00 178.44 178.20 1bay h SER 177 N 0.47 0.09 -0.35 -0.43 0.87 -1.18 -0.35 113.55 112.66 1bay h SER 177 Ca 0.12 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1bay h SER 177 Cb 0.33 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1bay h SER 177 CO 0.00 0.08 -0.03 0.00 -0.53 0.00 0.00 176.83 176.36 1bay h ALA 178 N 1.28 0.47 -0.55 6.23 0.00 -1.10 -2.84 119.26 122.75 1bay h ALA 178 Ca 0.19 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1bay h ALA 178 Cb 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1bay h ALA 178 CO -0.22 0.27 0.22 -0.92 0.00 0.00 0.00 179.25 178.59 1bay h TYR 179 N 0.44 0.39 -0.27 0.00 3.20 -0.34 0.48 116.97 120.86 1bay h TYR 179 Ca 0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1bay h TYR 179 Cb 0.50 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1bay h TYR 179 CO 0.04 0.13 0.15 0.28 -1.64 0.00 0.00 178.16 177.12 1bay h VAL 180 N 0.41 1.13 -0.73 1.81 2.07 -1.01 -0.46 116.25 119.46 1bay h VAL 180 Ca 0.27 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1bay h VAL 180 Cb 0.28 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1bay h VAL 180 CO -0.25 0.13 0.25 0.00 0.02 0.00 0.00 177.57 177.72 1bay h ALA 181 N 1.02 0.95 0.19 1.67 0.00 -1.22 -1.18 119.26 120.69 1bay h ALA 181 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1bay h ALA 181 Cb 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1bay h ALA 181 CO -0.01 0.61 -0.09 -0.09 0.00 0.00 0.00 179.25 179.67 1bay h ARG 182 N 1.07 -0.25 -0.47 0.00 2.43 -0.62 -2.25 114.38 114.29 1bay h ARG 182 Ca 0.24 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.31 1bay h ARG 182 Cb 0.27 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1bay h ARG 182 CO -0.01 -0.10 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.11 1bay h LEU 183 N -0.34 0.96 -2.16 3.80 3.38 -1.03 -2.92 115.31 117.00 1bay h LEU 183 Ca -0.03 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1bay h LEU 183 Cb 0.26 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1bay h LEU 183 CO 0.04 1.12 -0.06 0.28 0.09 0.00 0.00 178.44 179.92 1bay h SER 184 N 0.79 0.00 1.48 -0.43 0.02 -1.19 -1.57 113.55 112.65 1bay h SER 184 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1bay h SER 184 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1bay h SER 184 CO 0.06 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.81 1bay h ALA 185 N 1.94 1.00 -2.08 3.77 0.00 -1.20 -3.27 119.26 119.41 1bay h ALA 185 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1bay h ALA 185 Cb 0.15 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1bay h ALA 185 CO 0.01 0.00 1.07 0.54 0.00 0.00 0.00 179.25 180.87 1bay n ARG 186 N -2.42 2.22 -0.34 0.00 1.74 -0.59 -4.75 116.66 112.52 1bay n ARG 186 Ca 0.05 0.81 -0.03 0.00 -0.77 0.00 0.00 57.85 57.91 1bay n ARG 186 Cb 0.42 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 1bay n ARG 186 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bay n PRO 187 N 6.27 -0.25 0.14 5.56 -0.04 -1.26 -0.38 135.00 145.04 1bay n PRO 187 Ca 0.22 1.32 0.01 0.00 -0.04 0.00 0.00 63.50 65.00 1bay n PRO 187 Cb 0.30 -1.95 0.30 0.00 -0.04 0.00 0.00 33.50 32.11 1bay n PRO 187 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1bay h LYS 188 N 0.00 0.11 -0.00 0.54 1.57 -1.92 -1.06 116.57 115.81 1bay h LYS 188 Ca 0.25 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.73 1bay h LYS 188 Cb 0.47 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.79 1bay h LYS 188 CO -0.84 0.48 -1.01 0.82 -0.57 0.00 0.00 179.45 178.33 1bay h ILE 189 N 0.09 1.32 -0.83 1.86 2.04 -1.54 -2.45 117.51 117.99 1bay h ILE 189 Ca 0.01 -2.30 -0.00 0.00 1.00 0.00 0.00 64.86 63.56 1bay h ILE 189 Cb 0.72 2.38 -0.04 0.00 -0.74 0.00 0.00 36.82 39.14 1bay h ILE 189 CO 0.05 0.71 0.50 0.50 0.00 0.00 0.00 178.15 179.91 1bay h LYS 190 N 0.35 1.13 -0.61 2.37 3.64 -0.41 -0.05 116.57 122.99 1bay h LYS 190 Ca -0.11 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 1bay h LYS 190 Cb 1.66 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 33.22 1bay h LYS 190 CO 0.19 0.79 0.03 0.00 -2.27 0.00 0.00 179.45 178.19 1bay h ALA 191 N 1.27 0.88 -0.17 5.00 0.00 -1.17 -2.41 119.26 122.66 1bay h ALA 191 Ca 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bay h ALA 191 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1bay h ALA 191 CO -0.06 0.66 0.04 0.35 0.00 0.00 0.00 179.25 180.25 1bay h PHE 192 N 0.97 0.29 0.00 0.00 3.57 -0.85 -1.88 116.94 119.04 1bay h PHE 192 Ca 0.18 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1bay h PHE 192 Cb 0.52 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1bay h PHE 192 CO 0.04 0.41 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.44 1bay h LEU 193 N 0.08 0.00 -1.09 0.59 3.38 -0.96 -0.85 115.31 116.46 1bay h LEU 193 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1bay h LEU 193 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1bay h LEU 193 CO 0.00 0.02 -0.28 -1.20 0.09 0.00 0.00 178.44 177.07 1bay n SER 194 N -3.21 1.98 -4.77 -0.43 7.64 -0.92 -4.57 113.62 109.34 1bay n SER 194 Ca -0.02 -1.49 -0.38 0.00 1.01 0.00 0.00 58.87 57.99 1bay n SER 194 Cb 0.15 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 1bay n SER 194 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1bay s SER 195 N -2.33 6.69 0.24 6.43 1.04 -0.32 -4.85 113.70 120.60 1bay s SER 195 Ca 0.24 2.21 -0.05 0.00 0.48 0.00 0.00 55.95 58.83 1bay s SER 195 Cb 0.19 -2.60 0.38 0.00 0.10 0.00 0.00 66.02 64.09 1bay s SER 195 CO 0.48 -0.55 1.81 -0.65 0.98 0.00 0.00 173.24 175.31 1bay h PRO 196 N 2.70 0.75 -0.43 4.02 0.11 -1.92 0.18 132.00 137.41 1bay h PRO 196 Ca -0.48 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.66 1bay h PRO 196 Cb 1.22 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 1bay h PRO 196 CO 0.63 0.49 0.02 0.93 -0.21 0.00 0.00 178.00 179.86 1bay h GLU 197 N 0.77 0.13 0.18 1.05 3.07 -1.92 -0.56 114.58 117.30 1bay h GLU 197 Ca 0.39 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1bay h GLU 197 Cb 0.35 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1bay h GLU 197 CO -0.24 0.08 -0.09 1.25 -1.40 0.00 0.00 179.01 178.61 1bay h HIS 198 N 0.13 -0.23 -0.91 4.33 -0.00 -1.48 -3.28 115.15 113.71 1bay h HIS 198 Ca 0.21 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.66 1bay h HIS 198 Cb 0.30 0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 27.71 1bay h HIS 198 CO -0.26 0.18 0.56 0.28 -0.00 0.00 0.00 177.93 178.69 1bay h VAL 199 N -0.78 1.00 -0.13 5.26 2.07 -0.52 -2.45 116.25 120.70 1bay h VAL 199 Ca -0.03 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1bay h VAL 199 Cb 0.52 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1bay h VAL 199 CO 0.04 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.40 1bay n ASN 200 N -4.63 1.22 -4.66 0.57 5.03 -0.23 -4.83 115.26 107.74 1bay n ASN 200 Ca 0.15 -1.66 -0.37 0.00 0.87 0.00 0.00 54.58 53.57 1bay n ASN 200 Cb 0.24 -0.08 -0.10 0.00 -1.02 0.00 0.00 39.78 38.82 1bay n ASN 200 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1bay s ARG 201 N -1.83 4.06 0.64 3.52 3.52 -0.92 -5.08 118.95 122.86 1bay s ARG 201 Ca 0.30 -0.27 -0.17 0.00 -0.13 0.00 0.00 55.73 55.46 1bay s ARG 201 Cb 0.15 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.99 1bay s ARG 201 CO 0.24 0.05 1.17 -1.25 -0.81 0.00 0.00 175.30 174.70 1bay s PRO 202 N 1.10 2.76 0.09 5.12 0.04 -1.26 -4.66 135.00 138.19 1bay s PRO 202 Ca 0.07 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 1bay s PRO 202 Cb -0.14 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1bay s PRO 202 CO 0.05 -1.34 1.61 0.82 0.04 0.00 0.00 177.00 178.19 1bay h ILE 203 N 0.40 1.18 -3.19 0.56 2.04 -1.94 0.87 117.51 117.43 1bay h ILE 203 Ca -0.49 -0.57 -0.56 0.00 1.00 0.00 0.00 64.86 64.24 1bay h ILE 203 Cb 1.28 1.15 -0.18 0.00 -0.74 0.00 0.00 36.82 38.33 1bay h ILE 203 CO 0.54 0.19 -0.79 0.20 0.00 0.00 0.00 178.15 178.28 1bay s ASN 204 N -5.68 2.92 0.08 1.72 0.01 -1.26 -0.91 114.94 111.81 1bay s ASN 204 Ca -0.14 -0.88 0.16 0.00 -0.71 0.00 0.00 52.86 51.29 1bay s ASN 204 Cb 0.07 -0.19 0.68 0.00 0.41 0.00 0.00 41.25 42.22 1bay s ASN 204 CO 0.72 0.00 1.49 0.61 -1.51 0.00 0.00 177.10 178.41 1bay n GLY 205 N 0.20 -1.02 0.69 0.66 0.00 -1.26 -2.97 105.19 101.49 1bay n GLY 205 Ca -0.12 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1bay n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bay n ASN 206 N -1.72 2.82 0.00 1.61 2.04 -1.26 -4.97 115.26 113.78 1bay n ASN 206 Ca 0.03 -1.88 0.00 0.00 -0.44 0.00 0.00 54.58 52.29 1bay n ASN 206 Cb 0.17 -0.20 0.00 0.00 -2.53 0.00 0.00 39.78 37.22 1bay n ASN 206 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bay n GLY 207 N 0.70 2.12 3.88 4.83 0.00 -1.16 -5.03 105.19 110.54 1bay n GLY 207 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1bay n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bay s LYS 208 N -0.22 3.74 0.00 1.61 1.02 -1.26 -5.01 119.74 119.63 1bay s LYS 208 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1bay s LYS 208 Cb 0.00 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1bay s LYS 208 CO 0.00 0.40 0.00 0.00 -0.92 0.00 0.00 175.35 174.83