#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpx s GLN 2 N 0.00 2.86 -0.12 0.54 0.74 -1.26 -5.06 119.66 117.35 2bpx s GLN 2 Ca 0.00 -1.29 -0.12 0.00 0.05 0.00 0.00 55.36 54.00 2bpx s GLN 2 Cb 0.00 -3.96 -0.05 0.00 1.10 0.00 0.00 33.01 30.10 2bpx s GLN 2 CO 0.00 -0.92 0.28 0.42 -0.55 0.00 0.00 175.29 174.52 2bpx s ILE 3 N 1.58 5.29 0.13 -2.34 1.01 -1.26 -5.10 121.20 120.52 2bpx s ILE 3 Ca 0.04 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.24 2bpx s ILE 3 Cb -0.22 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2bpx s ILE 3 CO 0.06 0.48 0.21 0.42 0.00 0.00 0.00 174.94 176.10 2bpx s THR 4 N -0.15 5.00 -0.69 2.92 -4.23 -1.26 -5.03 115.64 112.21 2bpx s THR 4 Ca 0.17 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 2bpx s THR 4 Cb -0.13 -3.53 0.47 0.00 1.34 0.00 0.00 72.50 70.64 2bpx s THR 4 CO 0.05 -0.04 1.23 0.18 -0.54 0.00 0.00 174.62 175.51 2bpx n LEU 5 N -0.25 3.63 0.19 4.79 4.77 -1.26 -4.24 117.00 124.63 2bpx n LEU 5 Ca -0.07 -1.84 0.03 0.00 -0.03 0.00 0.00 56.01 54.11 2bpx n LEU 5 Cb 0.53 -0.58 0.39 0.00 -2.33 0.00 0.00 43.42 41.43 2bpx n LEU 5 CO 0.47 0.48 0.75 -0.50 -1.33 0.00 0.00 177.39 177.25 2bpx h TRP 6 N 2.33 0.00 -1.65 -1.77 4.06 -2.05 -3.44 115.95 113.43 2bpx h TRP 6 Ca 0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 2bpx h TRP 6 Cb 1.29 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.32 2bpx h TRP 6 CO 0.61 0.35 -0.56 -0.65 -3.56 0.00 0.00 178.44 174.63 2bpx s GLN 7 N -4.18 1.97 0.05 0.49 -0.21 -1.26 -5.09 119.66 111.44 2bpx s GLN 7 Ca -0.03 -2.18 -0.31 0.00 0.02 0.00 0.00 55.36 52.87 2bpx s GLN 7 Cb 0.14 -1.26 -0.07 0.00 1.00 0.00 0.00 33.01 32.83 2bpx s GLN 7 CO 0.71 -0.26 1.42 1.03 -2.12 0.00 0.00 175.29 176.07 2bpx s ARG 8 N -3.80 4.29 -1.11 2.91 0.52 -1.26 -4.88 118.95 115.62 2bpx s ARG 8 Ca 0.24 2.04 -0.23 0.00 -0.52 0.00 0.00 55.73 57.26 2bpx s ARG 8 Cb 0.06 -3.46 -0.10 0.00 0.52 0.00 0.00 34.95 31.96 2bpx s ARG 8 CO 0.12 -0.54 1.93 -0.35 0.02 0.00 0.00 175.30 176.48 2bpx n PRO 9 N 4.88 1.56 -3.86 3.54 -0.04 -1.26 -4.93 135.00 134.90 2bpx n PRO 9 Ca 0.13 -2.35 -0.37 0.00 -0.04 0.00 0.00 63.50 60.87 2bpx n PRO 9 Cb 0.43 -3.58 -0.06 0.00 -0.04 0.00 0.00 33.50 30.25 2bpx n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bpx s LEU 10 N 9.27 4.39 0.29 1.53 1.43 -1.26 -0.99 118.68 133.34 2bpx s LEU 10 Ca 0.67 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 2bpx s LEU 10 Cb 0.02 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2bpx s LEU 10 CO 0.14 0.39 0.09 0.68 0.23 0.00 0.00 176.35 177.88 2bpx s VAL 11 N -1.06 0.76 -0.18 -1.59 -7.23 0.30 -4.94 120.40 106.46 2bpx s VAL 11 Ca 0.17 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2bpx s VAL 11 Cb -0.12 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2bpx s VAL 11 CO 0.06 0.00 0.09 -0.89 -0.31 0.00 0.00 175.10 174.05 2bpx s THR 12 N -3.58 5.05 0.16 5.32 2.01 -1.26 -1.09 115.64 122.25 2bpx s THR 12 Ca 0.37 0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.52 2bpx s THR 12 Cb 0.08 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2bpx s THR 12 CO 0.14 0.47 -0.17 0.27 -0.69 0.00 0.00 174.62 174.64 2bpx s ILE 13 N 0.22 2.79 -0.24 1.82 -4.36 0.18 -1.26 121.20 120.35 2bpx s ILE 13 Ca 0.06 -1.72 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 2bpx s ILE 13 Cb -0.12 -2.33 0.05 0.00 1.25 0.00 0.00 42.46 41.31 2bpx s ILE 13 CO -0.00 -0.04 -0.13 -0.75 0.24 0.00 0.00 174.94 174.27 2bpx s LYS 14 N -2.53 2.41 -0.16 0.37 2.20 -0.34 -1.65 119.74 120.04 2bpx s LYS 14 Ca 0.21 -1.24 -0.02 0.00 -0.36 0.00 0.00 55.97 54.56 2bpx s LYS 14 Cb -0.09 -2.83 0.05 0.00 -1.51 0.00 0.00 37.83 33.45 2bpx s LYS 14 CO 0.12 -0.50 0.01 -1.50 -0.36 0.00 0.00 175.35 173.13 2bpx s ILE 15 N 1.15 0.57 -0.41 5.43 2.07 -0.27 -1.97 121.20 127.76 2bpx s ILE 15 Ca -0.06 -0.41 -0.02 0.00 -1.41 0.00 0.00 60.65 58.75 2bpx s ILE 15 Cb -0.19 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.46 2bpx s ILE 15 CO -0.07 -0.05 0.36 0.61 -1.91 0.00 0.00 174.94 173.88 2bpx n GLY 16 N 5.05 0.40 2.58 1.50 0.00 -1.26 -3.10 105.19 110.35 2bpx n GLY 16 Ca -0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 2bpx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpx n GLY 17 N -1.00 0.81 3.24 -0.02 0.00 -1.26 -4.98 105.19 101.99 2bpx n GLY 17 Ca -0.02 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2bpx n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bpx s GLN 18 N -2.31 1.11 0.01 1.61 -0.21 -1.18 -5.14 119.66 113.55 2bpx s GLN 18 Ca 0.00 -1.01 -0.05 0.00 0.02 0.00 0.00 55.36 54.32 2bpx s GLN 18 Cb 0.00 -1.26 -0.05 0.00 1.00 0.00 0.00 33.01 32.71 2bpx s GLN 18 CO 0.00 0.30 0.24 -0.51 -2.12 0.00 0.00 175.29 173.21 2bpx s LEU 19 N -1.57 4.36 -0.02 2.90 1.43 -1.26 -1.11 118.68 123.41 2bpx s LEU 19 Ca 0.05 0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 2bpx s LEU 19 Cb -0.09 -2.69 0.09 0.00 0.03 0.00 0.00 46.19 43.52 2bpx s LEU 19 CO 0.03 0.24 0.78 -1.59 0.23 0.00 0.00 176.35 176.04 2bpx s LYS 20 N -1.88 0.95 0.17 1.70 -2.85 -0.66 -4.98 119.74 112.18 2bpx s LYS 20 Ca 0.28 -0.05 -0.21 0.00 -1.00 0.00 0.00 55.97 55.00 2bpx s LYS 20 Cb -0.13 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.01 2bpx s LYS 20 CO 0.18 -0.35 0.69 -1.21 0.10 0.00 0.00 175.35 174.75 2bpx s GLU 21 N -2.15 4.31 0.02 1.78 2.02 -1.26 -0.65 118.70 122.76 2bpx s GLU 21 Ca -0.03 0.89 0.01 0.00 0.02 0.00 0.00 54.97 55.86 2bpx s GLU 21 Cb -0.01 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.14 2bpx s GLU 21 CO -0.01 0.51 -0.04 0.00 0.02 0.00 0.00 175.26 175.74 2bpx s ALA 22 N -1.32 0.27 -0.13 5.21 0.00 -0.25 -4.38 121.76 121.16 2bpx s ALA 22 Ca 0.37 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.78 2bpx s ALA 22 Cb -0.19 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2bpx s ALA 22 CO 0.22 -0.03 0.35 -1.17 0.00 0.00 0.00 175.76 175.13 2bpx s LEU 23 N -0.83 4.28 -0.48 0.00 2.96 -0.07 -0.54 118.68 124.01 2bpx s LEU 23 Ca -0.07 0.63 -0.25 0.00 -0.22 0.00 0.00 54.13 54.22 2bpx s LEU 23 Cb -0.06 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.20 2bpx s LEU 23 CO -0.00 0.11 0.94 -0.76 -1.32 0.00 0.00 176.35 175.32 2bpx s LEU 24 N 0.28 3.99 -0.30 -0.68 1.43 -0.16 -1.47 118.68 121.78 2bpx s LEU 24 Ca 0.20 0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 2bpx s LEU 24 Cb -0.14 -3.17 0.04 0.00 0.03 0.00 0.00 46.19 42.95 2bpx s LEU 24 CO 0.06 -1.09 0.03 -0.62 0.23 0.00 0.00 176.35 174.96 2bpx s ASP 25 N 2.36 4.95 0.19 2.29 -1.08 -0.74 -4.85 116.67 119.78 2bpx s ASP 25 Ca 0.37 -1.12 0.26 0.00 -0.52 0.00 0.00 52.55 51.53 2bpx s ASP 25 Cb -0.10 -1.76 0.75 0.00 -1.46 0.00 0.00 42.92 40.34 2bpx s ASP 25 CO 0.26 -0.25 1.71 0.35 0.52 0.00 0.00 175.17 177.75 2bpx n THR 26 N 4.70 0.53 1.31 1.71 -2.24 -1.26 -3.01 114.28 116.02 2bpx n THR 26 Ca -0.14 -0.27 0.12 0.00 -2.27 0.00 0.00 64.05 61.49 2bpx n THR 26 Cb 0.45 -0.50 0.43 0.00 -2.10 0.00 0.00 70.33 68.60 2bpx n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bpx n GLY 27 N 1.32 0.21 3.38 3.38 0.00 -1.26 -4.79 105.19 107.43 2bpx n GLY 27 Ca 0.05 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 2bpx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpx s ALA 28 N -1.87 3.04 0.20 4.61 0.00 -1.16 -4.99 121.76 121.58 2bpx s ALA 28 Ca 0.35 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 2bpx s ALA 28 Cb 0.19 -2.00 0.12 0.00 0.00 0.00 0.00 23.12 21.43 2bpx s ALA 28 CO 0.29 -0.62 1.73 -0.44 0.00 0.00 0.00 175.76 176.73 2bpx h ASP 29 N 8.20 1.05 -2.03 0.00 3.32 -1.87 0.21 116.42 125.29 2bpx h ASP 29 Ca -0.37 -0.21 -0.59 0.00 0.02 0.00 0.00 57.03 55.89 2bpx h ASP 29 Cb 1.15 -0.27 -0.11 0.00 0.22 0.00 0.00 39.33 40.32 2bpx h ASP 29 CO 0.59 0.98 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.63 2bpx s ASP 30 N -6.37 4.12 -0.34 6.45 1.01 -1.26 -2.60 116.67 117.67 2bpx s ASP 30 Ca -0.12 -0.94 -0.18 0.00 0.71 0.00 0.00 52.55 52.02 2bpx s ASP 30 Cb 0.15 -0.54 -0.01 0.00 1.01 0.00 0.00 42.92 43.53 2bpx s ASP 30 CO 0.84 -0.13 0.51 -0.89 0.21 0.00 0.00 175.17 175.71 2bpx s THR 31 N -2.48 5.02 -0.27 -1.27 2.01 -1.26 -3.34 115.64 114.05 2bpx s THR 31 Ca 0.33 0.39 -0.00 0.00 0.31 0.00 0.00 61.69 62.72 2bpx s THR 31 Cb -0.02 -3.95 0.04 0.00 0.01 0.00 0.00 72.50 68.58 2bpx s THR 31 CO 0.18 -0.19 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.18 2bpx s VAL 32 N 2.39 2.65 0.38 3.82 1.01 0.23 -0.91 120.40 129.95 2bpx s VAL 32 Ca 0.19 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2bpx s VAL 32 Cb -0.15 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2bpx s VAL 32 CO 0.13 0.04 0.57 -0.76 0.00 0.00 0.00 175.10 175.08 2bpx s LEU 33 N 1.23 3.89 0.69 3.92 1.43 0.12 -0.24 118.68 129.73 2bpx s LEU 33 Ca -0.04 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 2bpx s LEU 33 Cb -0.19 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2bpx s LEU 33 CO -0.04 -0.45 1.07 -1.83 0.23 0.00 0.00 176.35 175.33 2bpx s GLU 34 N -4.37 3.02 -0.79 1.70 -1.05 -1.26 -2.18 118.70 113.77 2bpx s GLU 34 Ca 0.43 0.67 -0.32 0.00 -0.15 0.00 0.00 54.97 55.60 2bpx s GLU 34 Cb -0.10 -2.02 -0.18 0.00 -0.44 0.00 0.00 34.13 31.39 2bpx s GLU 34 CO 0.36 -0.97 2.53 -1.91 0.95 0.00 0.00 175.26 176.22 2bpx n GLU 35 N -3.00 0.25 -3.96 -4.83 4.07 -1.10 -4.61 120.64 107.47 2bpx n GLU 35 Ca 0.07 0.02 -0.09 0.00 -0.06 0.00 0.00 57.16 57.10 2bpx n GLU 35 Cb 0.55 -1.89 -0.08 0.00 -0.06 0.00 0.00 31.44 29.96 2bpx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bpx s MET 36 N 8.23 0.97 -0.02 5.31 0.23 -1.26 -5.06 119.30 127.70 2bpx s MET 36 Ca 1.26 -1.14 -0.27 0.00 -1.03 0.00 0.00 55.69 54.50 2bpx s MET 36 Cb -1.09 0.33 -0.03 0.00 -1.53 0.00 0.00 34.83 32.51 2bpx s MET 36 CO 0.48 -0.32 0.85 -1.12 -2.03 0.00 0.00 175.02 172.88 2bpx s SER 37 N -2.94 7.21 0.06 -1.18 0.01 -1.26 -5.03 113.70 110.57 2bpx s SER 37 Ca 0.13 1.46 0.04 0.00 1.31 0.00 0.00 55.95 58.89 2bpx s SER 37 Cb 0.05 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 2bpx s SER 37 CO -0.04 -0.19 -0.12 -0.76 0.41 0.00 0.00 173.24 172.54 2bpx s LEU 38 N 0.87 2.28 0.66 2.44 1.43 -1.26 -5.11 118.68 120.00 2bpx s LEU 38 Ca 0.45 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 2bpx s LEU 38 Cb -0.20 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 2bpx s LEU 38 CO 0.24 -0.13 1.05 -2.16 0.23 0.00 0.00 176.35 175.57 2bpx s PRO 39 N -1.76 3.21 0.00 1.29 0.04 -1.26 -4.95 135.00 131.57 2bpx s PRO 39 Ca -0.04 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2bpx s PRO 39 Cb -0.09 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2bpx s PRO 39 CO 0.01 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2bpx n GLY 40 N -2.40 -0.73 3.89 0.56 0.00 -1.26 -4.97 105.19 100.27 2bpx n GLY 40 Ca 0.07 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 2bpx n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bpx s ARG 41 N -1.63 3.45 0.24 1.61 0.52 -1.26 -5.09 118.95 116.79 2bpx s ARG 41 Ca 0.00 0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.69 2bpx s ARG 41 Cb 0.00 -2.21 -0.05 0.00 0.52 0.00 0.00 34.95 33.21 2bpx s ARG 41 CO 0.00 -0.48 -0.02 1.67 0.02 0.00 0.00 175.30 176.49 2bpx s TRP 42 N -3.01 1.65 0.11 -0.53 1.48 -1.26 -4.62 118.94 112.76 2bpx s TRP 42 Ca 0.52 -0.85 0.07 0.00 -1.06 0.00 0.00 56.10 54.78 2bpx s TRP 42 Cb -0.11 -0.95 -0.04 0.00 -1.16 0.00 0.00 33.47 31.22 2bpx s TRP 42 CO 0.49 0.05 -0.17 0.15 -4.06 0.00 0.00 176.95 173.42 2bpx s LYS 43 N -3.82 1.06 0.25 3.25 1.02 -0.08 -4.93 119.74 116.49 2bpx s LYS 43 Ca 0.28 -1.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 2bpx s LYS 43 Cb 0.05 -1.12 -0.09 0.00 -0.52 0.00 0.00 37.83 36.15 2bpx s LYS 43 CO 0.09 0.24 1.02 -1.25 -0.92 0.00 0.00 175.35 174.53 2bpx s PRO 44 N -2.26 4.74 -0.05 -1.68 0.04 -1.26 -0.45 135.00 134.08 2bpx s PRO 44 Ca 0.07 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 2bpx s PRO 44 Cb -0.08 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.23 2bpx s PRO 44 CO 0.04 0.34 0.19 0.21 0.04 0.00 0.00 177.00 177.82 2bpx s LYS 45 N -1.17 0.33 -0.19 4.56 2.47 -0.97 -4.86 119.74 119.92 2bpx s LYS 45 Ca 0.43 0.07 0.00 0.00 -1.56 0.00 0.00 55.97 54.92 2bpx s LYS 45 Cb -0.29 0.15 0.04 0.00 -1.46 0.00 0.00 37.83 36.28 2bpx s LYS 45 CO 0.36 -0.06 -0.08 1.41 0.16 0.00 0.00 175.35 177.13 2bpx s MET 46 N -0.39 1.81 0.13 4.03 -2.45 -1.26 -1.57 119.30 119.60 2bpx s MET 46 Ca -0.05 -0.72 0.08 0.00 -1.25 0.00 0.00 55.69 53.75 2bpx s MET 46 Cb -0.03 -2.27 -0.04 0.00 1.25 0.00 0.00 34.83 33.74 2bpx s MET 46 CO 0.01 -0.43 -0.13 0.96 1.05 0.00 0.00 175.02 176.48 2bpx s ILE 47 N 1.48 3.09 0.07 10.11 -4.36 -1.18 -4.97 121.20 125.45 2bpx s ILE 47 Ca -0.00 -1.48 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 2bpx s ILE 47 Cb -0.16 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 2bpx s ILE 47 CO -0.08 0.04 -0.12 -0.83 0.24 0.00 0.00 174.94 174.19 2bpx s GLY 48 N -2.36 0.77 0.00 6.27 0.00 -1.26 -1.40 107.32 109.34 2bpx s GLY 48 Ca 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.97 2bpx s GLY 48 CO 0.13 -1.00 0.00 0.61 0.00 0.00 0.00 173.10 172.84 2bpx n GLY 49 N 1.26 5.46 3.76 0.20 0.00 -0.14 -4.96 105.19 110.76 2bpx n GLY 49 Ca -0.21 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 2bpx n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bpx s ILE 50 N 1.38 2.74 -1.19 -0.61 1.09 -1.26 -3.24 121.20 120.12 2bpx s ILE 50 Ca 0.00 0.56 -0.02 0.00 -1.10 0.00 0.00 60.65 60.09 2bpx s ILE 50 Cb 0.00 -3.29 0.00 0.00 -1.06 0.00 0.00 42.46 38.11 2bpx s ILE 50 CO 0.00 -0.00 0.32 0.61 -0.10 0.00 0.00 174.94 175.77 2bpx n GLY 51 N 0.55 -0.22 0.00 6.18 0.00 -1.26 -4.86 105.19 105.58 2bpx n GLY 51 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2bpx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpx n GLY 52 N -1.23 -1.55 3.61 -0.02 0.00 -1.20 -5.03 105.19 99.78 2bpx n GLY 52 Ca -0.11 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.58 2bpx n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bpx s PHE 53 N -0.01 2.68 0.17 1.61 0.40 -1.26 -0.97 117.98 120.60 2bpx s PHE 53 Ca 0.00 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 2bpx s PHE 53 Cb 0.00 -1.25 -0.05 0.00 0.51 0.00 0.00 43.02 42.24 2bpx s PHE 53 CO 0.00 0.57 0.02 0.96 0.70 0.00 0.00 175.22 177.47 2bpx s ILE 54 N -2.01 0.55 -0.23 0.64 -4.36 -0.49 -4.98 121.20 110.32 2bpx s ILE 54 Ca 0.28 -1.97 -0.10 0.00 -0.26 0.00 0.00 60.65 58.60 2bpx s ILE 54 Cb -0.08 -2.15 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 2bpx s ILE 54 CO 0.18 -0.43 0.15 -0.75 0.24 0.00 0.00 174.94 174.33 2bpx s LYS 55 N -3.95 4.09 0.17 0.37 2.20 -1.26 -3.09 119.74 118.26 2bpx s LYS 55 Ca 0.25 -0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.67 2bpx s LYS 55 Cb 0.06 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2bpx s LYS 55 CO 0.04 0.11 -0.15 0.14 -0.36 0.00 0.00 175.35 175.13 2bpx s VAL 56 N 0.92 1.63 -0.27 4.02 -7.23 -0.61 -4.63 120.40 114.23 2bpx s VAL 56 Ca 0.07 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.11 2bpx s VAL 56 Cb -0.13 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 2bpx s VAL 56 CO 0.03 -0.48 0.29 -0.13 -0.31 0.00 0.00 175.10 174.50 2bpx s ARG 57 N -3.18 3.98 -0.21 4.82 0.52 0.14 -2.29 118.95 122.74 2bpx s ARG 57 Ca 0.17 -0.13 -0.17 0.00 -0.52 0.00 0.00 55.73 55.09 2bpx s ARG 57 Cb -0.03 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 2bpx s ARG 57 CO 0.05 -0.23 0.45 -1.14 0.02 0.00 0.00 175.30 174.45 2bpx s GLN 58 N 1.93 4.16 0.06 3.54 0.74 0.40 -0.94 119.66 129.56 2bpx s GLN 58 Ca 0.11 0.28 0.08 0.00 0.05 0.00 0.00 55.36 55.88 2bpx s GLN 58 Cb -0.16 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 2bpx s GLN 58 CO 0.10 -0.11 -0.20 0.71 -0.55 0.00 0.00 175.29 175.24 2bpx s TYR 59 N 1.53 2.49 0.31 1.67 1.51 -0.47 -0.90 117.35 123.49 2bpx s TYR 59 Ca 0.21 -0.30 0.09 0.00 -1.01 0.00 0.00 57.07 56.06 2bpx s TYR 59 Cb -0.15 -1.41 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 2bpx s TYR 59 CO 0.09 0.26 0.01 -0.51 -1.11 0.00 0.00 175.55 174.29 2bpx s ASP 60 N -1.59 4.34 -1.27 2.29 1.01 -1.26 -1.65 116.67 118.53 2bpx s ASP 60 Ca 0.15 -0.83 -0.13 0.00 0.71 0.00 0.00 52.55 52.45 2bpx s ASP 60 Cb -0.10 -0.66 0.00 0.00 1.01 0.00 0.00 42.92 43.17 2bpx s ASP 60 CO 0.06 -0.13 0.60 0.00 0.21 0.00 0.00 175.17 175.91 2bpx n GLN 61 N -0.93 -2.07 -3.94 8.23 6.02 -1.14 -4.93 117.38 118.63 2bpx n GLN 61 Ca -0.05 0.39 -0.36 0.00 -0.01 0.00 0.00 57.00 56.97 2bpx n GLN 61 Cb 0.61 -4.14 -0.08 0.00 1.02 0.00 0.00 30.24 27.65 2bpx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bpx s ILE 62 N -3.71 5.15 -0.01 5.09 -1.09 0.21 -4.82 121.20 122.02 2bpx s ILE 62 Ca 0.26 0.08 -0.25 0.00 -2.23 0.00 0.00 60.65 58.51 2bpx s ILE 62 Cb -0.10 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 2bpx s ILE 62 CO 0.89 0.53 0.77 -0.22 -1.23 0.00 0.00 174.94 175.67 2bpx s LEU 63 N -0.31 4.38 -0.16 2.97 0.20 -1.26 -1.62 118.68 122.88 2bpx s LEU 63 Ca 0.10 1.37 -0.08 0.00 0.69 0.00 0.00 54.13 56.21 2bpx s LEU 63 Cb -0.12 -3.21 0.06 0.00 -0.43 0.00 0.00 46.19 42.49 2bpx s LEU 63 CO 0.01 -0.08 0.37 -0.51 -0.29 0.00 0.00 176.35 175.86 2bpx s ILE 64 N 0.44 -0.08 -0.34 6.68 2.07 0.88 -4.59 121.20 126.26 2bpx s ILE 64 Ca 0.40 0.12 -0.10 0.00 -1.41 0.00 0.00 60.65 59.65 2bpx s ILE 64 Cb -0.19 -0.56 0.00 0.00 0.13 0.00 0.00 42.46 41.84 2bpx s ILE 64 CO 0.22 0.05 0.18 -1.61 -1.91 0.00 0.00 174.94 171.86 2bpx s GLU 65 N 1.48 3.18 -0.47 3.50 2.02 -0.83 -0.71 118.70 126.86 2bpx s GLU 65 Ca -0.09 -0.83 -0.18 0.00 0.02 0.00 0.00 54.97 53.89 2bpx s GLU 65 Cb -0.09 -3.64 0.05 0.00 0.10 0.00 0.00 34.13 30.55 2bpx s GLU 65 CO -0.12 -0.51 0.51 0.42 0.02 0.00 0.00 175.26 175.58 2bpx s ILE 66 N 1.60 5.03 -1.35 -1.63 1.01 0.18 -1.19 121.20 124.85 2bpx s ILE 66 Ca 0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 2bpx s ILE 66 Cb -0.18 -4.19 -0.00 0.00 0.01 0.00 0.00 42.46 38.11 2bpx s ILE 66 CO 0.07 -0.65 0.51 0.00 0.00 0.00 0.00 174.94 174.87 2bpx n GLY 68 N -1.90 2.83 3.65 0.00 0.00 -1.26 -5.00 105.19 103.51 2bpx n GLY 68 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 2bpx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bpx s HIS 69 N -1.93 3.32 0.50 1.61 4.02 -0.65 -5.06 115.29 117.10 2bpx s HIS 69 Ca 0.00 0.44 -0.19 0.00 1.02 0.00 0.00 55.06 56.32 2bpx s HIS 69 Cb 0.00 -2.45 -0.08 0.00 -1.02 0.00 0.00 32.58 29.03 2bpx s HIS 69 CO 0.00 -0.04 1.03 0.15 1.02 0.00 0.00 174.74 176.90 2bpx s LYS 70 N 1.40 3.79 -0.20 1.40 1.02 -1.26 -0.65 119.74 125.23 2bpx s LYS 70 Ca 0.14 1.29 -0.16 0.00 0.02 0.00 0.00 55.97 57.27 2bpx s LYS 70 Cb -0.15 -2.10 0.06 0.00 -0.52 0.00 0.00 37.83 35.12 2bpx s LYS 70 CO 0.07 -0.43 0.53 0.00 -0.92 0.00 0.00 175.35 174.60 2bpx s ALA 71 N -2.10 -1.33 -0.20 5.17 0.00 0.11 -4.77 121.76 118.64 2bpx s ALA 71 Ca 0.66 1.65 0.00 0.00 0.00 0.00 0.00 51.96 54.28 2bpx s ALA 71 Cb -0.15 -0.97 0.05 0.00 0.00 0.00 0.00 23.12 22.04 2bpx s ALA 71 CO 0.22 -0.28 -0.08 0.42 0.00 0.00 0.00 175.76 176.05 2bpx s ILE 72 N 0.79 1.46 0.00 0.00 1.01 -1.26 -0.08 121.20 123.11 2bpx s ILE 72 Ca -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2bpx s ILE 72 Cb -0.05 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2bpx s ILE 72 CO -0.06 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2bpx n GLY 73 N 4.74 2.73 3.75 6.18 0.00 -0.64 -4.84 105.19 117.10 2bpx n GLY 73 Ca -0.13 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 2bpx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpx s THR 74 N -2.94 4.65 -0.04 2.61 2.01 -1.26 -0.62 115.64 120.04 2bpx s THR 74 Ca 0.00 1.71 0.04 0.00 0.31 0.00 0.00 61.69 63.75 2bpx s THR 74 Cb 0.00 -4.15 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 2bpx s THR 74 CO 0.00 0.38 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.45 2bpx s VAL 75 N -0.18 1.37 -0.13 3.82 1.01 -0.66 -4.60 120.40 121.03 2bpx s VAL 75 Ca 0.39 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2bpx s VAL 75 Cb -0.21 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2bpx s VAL 75 CO 0.24 0.40 0.01 -0.76 0.00 0.00 0.00 175.10 174.99 2bpx s LEU 76 N 0.07 3.58 -0.18 3.92 1.43 -0.09 -1.36 118.68 126.05 2bpx s LEU 76 Ca -0.04 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2bpx s LEU 76 Cb -0.11 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2bpx s LEU 76 CO 0.02 0.28 -0.10 -0.69 0.23 0.00 0.00 176.35 176.08 2bpx s VAL 77 N -0.26 3.03 0.37 -1.59 1.01 -0.12 0.16 120.40 123.00 2bpx s VAL 77 Ca 0.06 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 2bpx s VAL 77 Cb -0.12 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2bpx s VAL 77 CO 0.02 0.48 0.73 0.61 0.00 0.00 0.00 175.10 176.94 2bpx n GLY 78 N 4.26 1.09 3.44 4.51 0.00 -0.93 -0.68 105.19 116.87 2bpx n GLY 78 Ca -0.19 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 2bpx n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bpx n PRO 79 N -0.50 2.11 -4.89 1.61 -0.04 -1.26 -2.70 135.00 129.33 2bpx n PRO 79 Ca -0.08 -2.59 -0.30 0.00 -0.04 0.00 0.00 63.50 60.49 2bpx n PRO 79 Cb 0.55 -3.50 -0.15 0.00 -0.04 0.00 0.00 33.50 30.36 2bpx n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bpx s THR 80 N 7.62 2.13 0.26 0.52 -1.32 -1.26 -5.04 115.64 118.56 2bpx s THR 80 Ca 0.61 -1.40 0.03 0.00 -1.21 0.00 0.00 61.69 59.73 2bpx s THR 80 Cb 0.04 -1.83 0.02 0.00 -1.51 0.00 0.00 72.50 69.22 2bpx s THR 80 CO 0.10 0.36 1.65 1.55 -2.21 0.00 0.00 174.62 176.07 2bpx h PRO 81 N 4.77 0.36 -4.82 7.08 0.13 -1.98 -3.43 132.00 134.10 2bpx h PRO 81 Ca -0.47 -0.18 -0.37 0.00 -0.87 0.00 0.00 66.00 64.12 2bpx h PRO 81 Cb 1.14 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.02 2bpx h PRO 81 CO 0.43 0.72 -0.77 0.14 -0.23 0.00 0.00 178.00 178.30 2bpx s VAL 82 N -4.17 0.76 0.10 1.56 -7.23 -1.26 -5.05 120.40 105.11 2bpx s VAL 82 Ca -0.06 -0.77 -0.31 0.00 -1.81 0.00 0.00 61.98 59.03 2bpx s VAL 82 Cb 0.13 -0.71 -0.08 0.00 0.56 0.00 0.00 36.38 36.28 2bpx s VAL 82 CO 0.79 -0.05 1.53 0.20 -0.31 0.00 0.00 175.10 177.27 2bpx s ASN 83 N -0.91 6.68 -0.14 4.85 0.01 -1.26 -4.72 114.94 119.45 2bpx s ASN 83 Ca -0.01 2.44 0.01 0.00 -0.71 0.00 0.00 52.86 54.59 2bpx s ASN 83 Cb -0.07 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.01 2bpx s ASN 83 CO 0.00 -0.79 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.02 2bpx s ILE 84 N 1.77 2.71 -0.38 0.60 1.01 0.67 -0.89 121.20 126.69 2bpx s ILE 84 Ca 0.69 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 2bpx s ILE 84 Cb -0.39 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 39.98 2bpx s ILE 84 CO 0.31 0.52 0.23 -0.63 0.00 0.00 0.00 174.94 175.37 2bpx s ILE 85 N 0.58 4.71 0.76 2.92 -1.09 -0.54 -0.61 121.20 127.94 2bpx s ILE 85 Ca -0.09 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 57.47 2bpx s ILE 85 Cb -0.16 -3.64 0.15 0.00 -1.58 0.00 0.00 42.46 37.23 2bpx s ILE 85 CO 0.03 -0.26 1.05 -0.83 -1.23 0.00 0.00 174.94 173.70 2bpx s GLY 86 N 1.58 1.76 0.41 6.18 0.00 -1.21 -1.80 107.32 114.23 2bpx s GLY 86 Ca 0.03 -1.76 0.18 0.00 0.00 0.00 0.00 44.72 43.17 2bpx s GLY 86 CO 0.07 -1.13 1.81 3.21 0.00 0.00 0.00 173.10 177.06 2bpx h ARG 87 N -0.70 0.39 -0.73 2.90 3.08 -0.56 -0.97 114.38 117.79 2bpx h ARG 87 Ca -0.36 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 59.81 2bpx h ARG 87 Cb 1.26 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 2bpx h ARG 87 CO 0.38 0.26 0.49 -2.95 -1.07 0.00 0.00 179.97 177.08 2bpx h ASN 88 N 0.40 0.37 0.00 7.04 -1.07 -1.76 -1.88 115.58 118.68 2bpx h ASN 88 Ca 0.54 0.02 -0.20 0.00 0.07 0.00 0.00 56.30 56.73 2bpx h ASN 88 Cb 1.37 -0.05 -0.04 0.00 -2.07 0.00 0.00 38.32 37.53 2bpx h ASN 88 CO -0.24 0.19 -2.20 0.18 0.07 0.00 0.00 177.43 175.44 2bpx n LEU 89 N -4.47 0.00 0.05 6.14 4.77 -0.44 -4.28 117.00 118.77 2bpx n LEU 89 Ca 0.14 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.14 2bpx n LEU 89 Cb 0.52 0.27 0.38 0.00 -2.33 0.00 0.00 43.42 42.26 2bpx n LEU 89 CO 0.33 0.27 1.00 -0.07 -1.33 0.00 0.00 177.39 177.59 2bpx h LEU 90 N 0.00 0.38 -0.97 2.23 3.38 -0.82 -2.18 115.31 117.32 2bpx h LEU 90 Ca -0.30 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2bpx h LEU 90 Cb 1.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2bpx h LEU 90 CO 0.02 0.41 -0.41 0.71 0.09 0.00 0.00 178.44 179.26 2bpx h THR 91 N 0.41 1.01 -0.15 0.22 1.35 -1.54 -0.55 112.91 113.66 2bpx h THR 91 Ca 0.10 -1.57 -0.20 0.00 -0.55 0.00 0.00 66.41 64.18 2bpx h THR 91 Cb 0.21 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2bpx h THR 91 CO 0.00 0.40 -0.71 1.56 -0.25 0.00 0.00 175.52 176.52 2bpx h GLN 92 N 0.00 0.67 -0.05 4.72 4.20 -1.58 -2.94 115.11 120.13 2bpx h GLN 92 Ca -0.00 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2bpx h GLN 92 Cb 0.89 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2bpx h GLN 92 CO 0.05 1.13 0.00 0.44 -0.67 0.00 0.00 178.83 179.79 2bpx n ILE 93 N -3.92 0.05 -3.07 2.54 -5.35 -1.11 -4.92 119.36 103.58 2bpx n ILE 93 Ca -0.06 -0.14 -0.16 0.00 -0.27 0.00 0.00 62.75 62.13 2bpx n ILE 93 Cb 0.71 -0.01 0.04 0.00 -1.74 0.00 0.00 39.64 38.64 2bpx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bpx n GLY 94 N 1.00 -0.06 3.76 3.28 0.00 -1.00 -5.01 105.19 107.17 2bpx n GLY 94 Ca 0.18 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2bpx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpx s THR 96 N -1.31 0.11 -0.07 0.00 -4.23 -1.26 -4.75 115.64 104.13 2bpx s THR 96 Ca 0.44 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.93 2bpx s THR 96 Cb -0.24 -0.89 -0.05 0.00 1.34 0.00 0.00 72.50 72.66 2bpx s THR 96 CO 0.30 -0.50 0.30 -0.76 -0.54 0.00 0.00 174.62 173.43 2bpx s LEU 97 N -2.05 4.40 0.03 4.79 1.43 -1.26 -5.09 118.68 120.93 2bpx s LEU 97 Ca -0.06 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 2bpx s LEU 97 Cb -0.01 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2bpx s LEU 97 CO -0.04 0.31 -0.06 0.20 0.23 0.00 0.00 176.35 176.99 2bpx s ASN 98 N -0.75 0.67 0.00 2.29 0.01 -1.26 -5.30 114.94 110.60 2bpx s ASN 98 Ca 0.20 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 2bpx s ASN 98 Cb -0.14 0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.55 2bpx s ASN 98 CO 0.09 -0.18 0.00 2.22 -1.51 0.00 0.00 177.10 177.72